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 1iqx_1_A 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 0.000 177.587 177.584 0.005 0.000 1.274 9 A CA 0.000 52.041 52.037 0.007 0.000 0.836 9 A CB 0.000 19.003 19.000 0.005 0.000 0.831 10 S N 2.087 117.800 115.700 0.023 0.000 2.549 10 S HA 0.402 4.849 4.470 -0.040 0.000 0.279 10 S C -1.129 173.467 174.600 -0.006 0.000 1.321 10 S CA -0.500 57.729 58.200 0.048 0.000 1.054 10 S CB 0.889 64.155 63.200 0.111 0.000 0.899 10 S HN 0.280 nan 8.310 nan 0.000 0.497 11 P HA 0.067 nan 4.420 nan 0.000 0.242 11 P C 0.158 177.132 177.300 -0.543 0.000 1.197 11 P CA 0.627 63.543 63.100 -0.307 0.000 0.765 11 P CB -0.116 31.345 31.700 -0.398 0.000 0.936 12 F N 0.382 120.267 119.950 -0.109 0.000 2.653 12 F HA 0.213 4.716 4.527 -0.040 0.000 0.304 12 F C 1.585 177.324 175.800 -0.103 0.000 1.092 12 F CA -0.768 57.123 58.000 -0.183 0.000 1.279 12 F CB -0.088 38.798 39.000 -0.190 0.000 1.044 12 F HN -0.170 nan 8.300 nan 0.000 0.564 13 R N 0.901 121.431 120.500 0.051 0.000 2.784 13 R HA 0.232 4.548 4.340 -0.040 0.000 0.266 13 R C -0.236 176.086 176.300 0.037 0.000 1.044 13 R CA -0.382 55.755 56.100 0.061 0.000 1.151 13 R CB 0.422 30.749 30.300 0.044 0.000 1.037 13 R HN 0.155 nan 8.270 nan 0.000 0.478 14 L N 1.583 122.842 121.223 0.060 0.000 2.439 14 L HA 0.202 4.518 4.340 -0.040 0.000 0.269 14 L C 0.729 177.635 176.870 0.060 0.000 1.179 14 L CA -0.368 54.509 54.840 0.061 0.000 0.828 14 L CB 0.797 42.895 42.059 0.065 0.000 1.106 14 L HN 0.857 nan 8.230 nan 0.000 0.467 15 A N 2.576 125.443 122.820 0.078 0.000 2.540 15 A HA 0.226 4.522 4.320 -0.040 0.000 0.239 15 A C 0.292 177.947 177.584 0.118 0.000 1.061 15 A CA 0.108 52.240 52.037 0.158 0.000 0.758 15 A CB 0.360 19.512 19.000 0.253 0.000 0.991 15 A HN 0.659 nan 8.150 nan 0.000 0.502 16 S N 1.237 117.006 115.700 0.115 0.000 2.646 16 S HA 0.519 4.965 4.470 -0.040 0.000 0.276 16 S C 1.400 176.017 174.600 0.028 0.000 1.222 16 S CA -0.048 58.186 58.200 0.056 0.000 1.014 16 S CB 1.161 64.388 63.200 0.043 0.000 0.991 16 S HN 1.459 nan 8.310 nan 0.000 0.533 17 A N 3.624 126.448 122.820 0.007 0.000 1.908 17 A HA 0.038 4.335 4.320 -0.040 0.000 0.218 17 A C 2.128 179.691 177.584 -0.035 0.000 1.181 17 A CA 2.152 54.181 52.037 -0.013 0.000 0.627 17 A CB -1.694 17.299 19.000 -0.011 0.000 0.818 17 A HN 1.088 nan 8.150 nan 0.000 0.445 18 G N -0.558 108.225 108.800 -0.028 0.000 2.442 18 G HA2 -0.225 3.711 3.960 -0.040 0.000 0.219 18 G HA3 -0.225 3.711 3.960 -0.040 0.000 0.219 18 G C 1.411 176.262 174.900 -0.083 0.000 1.141 18 G CA 1.013 46.087 45.100 -0.044 0.000 0.763 18 G HN 0.686 nan 8.290 nan 0.000 0.554 19 E N -0.099 120.050 120.200 -0.085 0.000 2.106 19 E HA -0.028 4.298 4.350 -0.040 0.000 0.192 19 E C 2.466 178.818 176.600 -0.412 0.000 0.984 19 E CA 0.464 56.746 56.400 -0.198 0.000 0.806 19 E CB -0.092 29.578 29.700 -0.049 0.000 0.750 19 E HN 0.498 nan 8.360 nan 0.000 0.458 20 I N 0.761 121.161 120.570 -0.284 0.000 2.286 20 I HA -0.218 3.928 4.170 -0.040 0.000 0.245 20 I C 2.361 178.356 176.117 -0.203 0.000 1.104 20 I CA 0.661 61.792 61.300 -0.282 0.000 1.397 20 I CB -0.098 37.825 38.000 -0.129 0.000 1.072 20 I HN -0.019 nan 8.210 nan 0.000 0.417 21 S N 0.335 115.954 115.700 -0.135 0.000 2.370 21 S HA -0.253 4.193 4.470 -0.040 0.000 0.226 21 S C 1.924 176.457 174.600 -0.111 0.000 1.033 21 S CA 1.662 59.806 58.200 -0.094 0.000 1.011 21 S CB -0.279 62.882 63.200 -0.064 0.000 0.852 21 S HN 0.402 nan 8.310 nan 0.000 0.457 22 E N 1.097 121.212 120.200 -0.141 0.000 2.110 22 E HA -0.105 4.221 4.350 -0.040 0.000 0.193 22 E C 1.806 178.308 176.600 -0.162 0.000 0.988 22 E CA 0.968 57.287 56.400 -0.136 0.000 0.804 22 E CB -0.256 29.362 29.700 -0.137 0.000 0.745 22 E HN 0.273 nan 8.360 nan 0.000 0.458 23 V N 0.709 120.471 119.914 -0.253 0.000 2.358 23 V HA -0.255 3.841 4.120 -0.040 0.000 0.246 23 V C 2.560 178.578 176.094 -0.126 0.000 1.047 23 V CA 2.152 64.310 62.300 -0.237 0.000 1.035 23 V CB -0.634 30.965 31.823 -0.372 0.000 0.658 23 V HN 0.412 nan 8.190 nan 0.000 0.452 24 Q N 0.170 119.903 119.800 -0.111 0.000 2.061 24 Q HA -0.185 4.132 4.340 -0.040 0.000 0.204 24 Q C 2.245 178.222 176.000 -0.038 0.000 0.984 24 Q CA 2.200 57.971 55.803 -0.054 0.000 0.846 24 Q CB -0.513 28.201 28.738 -0.039 0.000 0.902 24 Q HN 0.641 nan 8.270 nan 0.000 0.421 25 G N 1.290 110.061 108.800 -0.049 0.000 2.480 25 G HA2 -0.270 3.666 3.960 -0.040 0.000 0.216 25 G HA3 -0.270 3.666 3.960 -0.040 0.000 0.216 25 G C 1.437 176.320 174.900 -0.029 0.000 1.200 25 G CA 1.117 46.196 45.100 -0.035 0.000 0.782 25 G HN 0.399 nan 8.290 nan 0.000 0.554 26 I N 0.502 121.048 120.570 -0.039 0.000 2.194 26 I HA -0.223 3.924 4.170 -0.040 0.000 0.246 26 I C 2.781 178.889 176.117 -0.014 0.000 1.093 26 I CA 0.909 62.192 61.300 -0.028 0.000 1.355 26 I CB -0.263 37.715 38.000 -0.036 0.000 1.046 26 I HN 0.150 nan 8.210 nan 0.000 0.413 27 L N -0.151 121.063 121.223 -0.015 0.000 2.027 27 L HA -0.182 4.134 4.340 -0.040 0.000 0.206 27 L C 2.793 179.667 176.870 0.006 0.000 1.074 27 L CA 1.289 56.130 54.840 0.002 0.000 0.745 27 L CB -0.589 41.473 42.059 0.005 0.000 0.898 27 L HN 0.143 nan 8.230 nan 0.000 0.433 28 R N -0.396 120.106 120.500 0.003 0.000 2.097 28 R HA -0.180 4.137 4.340 -0.040 0.000 0.236 28 R C 2.319 178.621 176.300 0.003 0.000 1.135 28 R CA 2.281 58.385 56.100 0.007 0.000 0.934 28 R CB -0.843 29.458 30.300 0.002 0.000 0.846 28 R HN 0.312 nan 8.270 nan 0.000 0.431 29 T N 0.735 115.288 114.554 -0.003 0.000 2.653 29 T HA -0.226 4.100 4.350 -0.040 0.000 0.268 29 T C 1.727 176.427 174.700 -0.000 0.000 1.035 29 T CA 1.706 63.804 62.100 -0.003 0.000 1.154 29 T CB -0.311 68.553 68.868 -0.007 0.000 0.862 29 T HN 0.448 nan 8.240 nan 0.000 0.441 30 A N 0.190 123.011 122.820 0.002 0.000 2.239 30 A HA 0.448 4.744 4.320 -0.040 0.000 0.209 30 A C 2.001 179.589 177.584 0.006 0.000 1.171 30 A CA 1.078 53.118 52.037 0.005 0.000 0.768 30 A CB -0.973 18.032 19.000 0.008 0.000 0.790 30 A HN 0.866 nan 8.150 nan 0.000 0.478 31 G N -1.294 107.510 108.800 0.006 0.000 2.162 31 G HA2 -0.283 3.653 3.960 -0.040 0.000 0.260 31 G HA3 -0.283 3.653 3.960 -0.040 0.000 0.260 31 G C 0.740 175.646 174.900 0.010 0.000 0.976 31 G CA 0.534 45.638 45.100 0.006 0.000 0.655 31 G HN 0.490 nan 8.290 nan 0.000 0.533 32 L N -1.312 119.919 121.223 0.014 0.000 2.395 32 L HA 0.337 4.653 4.340 -0.040 0.000 0.218 32 L C 1.013 177.898 176.870 0.025 0.000 1.130 32 L CA 0.371 55.223 54.840 0.020 0.000 0.826 32 L CB 0.021 42.096 42.059 0.026 0.000 0.941 32 L HN 0.233 nan 8.230 nan 0.000 0.451 33 L N -0.117 121.121 121.223 0.026 0.000 2.333 33 L HA 0.735 5.051 4.340 -0.040 0.000 0.280 33 L C 0.092 176.986 176.870 0.040 0.000 1.004 33 L CA -0.030 54.834 54.840 0.040 0.000 0.820 33 L CB 1.453 43.539 42.059 0.044 0.000 1.247 33 L HN -0.076 nan 8.230 nan 0.000 0.416 34 G N 3.395 112.228 108.800 0.054 0.000 2.682 34 G HA2 0.452 4.389 3.960 -0.040 0.000 0.303 34 G HA3 0.452 4.389 3.960 -0.040 0.000 0.303 34 G C -2.437 172.507 174.900 0.072 0.000 1.341 34 G CA -0.335 44.791 45.100 0.045 0.000 0.784 34 G HN 0.365 nan 8.290 nan 0.000 0.497 35 P HA -0.068 nan 4.420 nan 0.000 0.216 35 P C 0.635 177.991 177.300 0.094 0.000 1.150 35 P CA 1.232 64.368 63.100 0.060 0.000 0.837 35 P CB 0.377 32.090 31.700 0.021 0.000 0.786 36 E N -0.701 119.531 120.200 0.053 0.000 2.474 36 E HA 0.100 4.427 4.350 -0.040 0.000 0.195 36 E C 0.398 176.997 176.600 -0.001 0.000 1.039 36 E CA 0.207 56.623 56.400 0.026 0.000 0.881 36 E CB 0.196 29.885 29.700 -0.019 0.000 0.970 36 E HN 0.307 nan 8.360 nan 0.000 0.486 37 K N 1.579 122.003 120.400 0.039 0.000 2.130 37 K HA 0.377 4.673 4.320 -0.040 0.000 0.268 37 K C 0.288 176.896 176.600 0.014 0.000 0.983 37 K CA -0.530 55.765 56.287 0.013 0.000 0.893 37 K CB 1.534 34.051 32.500 0.029 0.000 1.066 37 K HN -0.165 nan 8.250 nan 0.000 0.450 38 R N 2.082 122.570 120.500 -0.020 0.000 2.574 38 R HA 0.430 4.746 4.340 -0.040 0.000 0.288 38 R C -0.104 176.175 176.300 -0.035 0.000 1.004 38 R CA -0.692 55.336 56.100 -0.119 0.000 0.895 38 R CB 1.169 31.427 30.300 -0.071 0.000 1.191 38 R HN 0.591 nan 8.270 nan 0.000 0.444 39 I N 2.637 123.151 120.570 -0.094 0.000 2.347 39 I HA 0.056 4.202 4.170 -0.040 0.000 0.294 39 I C 1.398 177.513 176.117 -0.003 0.000 1.090 39 I CA 0.077 61.366 61.300 -0.018 0.000 1.314 39 I CB 1.240 39.208 38.000 -0.053 0.000 1.423 39 I HN 0.706 nan 8.210 nan 0.000 0.503 40 A N 6.748 129.631 122.820 0.106 0.000 2.072 40 A HA -0.037 4.259 4.320 -0.040 0.000 0.216 40 A C 0.411 178.116 177.584 0.200 0.000 1.156 40 A CA 0.976 53.093 52.037 0.132 0.000 0.701 40 A CB 0.111 19.223 19.000 0.186 0.000 0.816 40 A HN 0.693 nan 8.150 nan 0.000 0.458 41 Y N -2.091 118.239 120.300 0.050 0.000 2.474 41 Y HA 0.552 5.078 4.550 -0.040 0.000 0.326 41 Y C -1.776 174.026 175.900 -0.163 0.000 1.160 41 Y CA -1.169 56.864 58.100 -0.112 0.000 1.056 41 Y CB 1.131 39.409 38.460 -0.304 0.000 1.330 41 Y HN 0.157 nan 8.280 nan 0.000 0.447 42 L N 5.372 125.918 121.223 -1.128 0.000 2.493 42 L HA 0.994 5.310 4.340 -0.040 0.000 0.265 42 L C -1.260 175.093 176.870 -0.863 0.000 0.954 42 L CA -0.232 54.155 54.840 -0.756 0.000 0.844 42 L CB 2.194 44.088 42.059 -0.275 0.000 1.302 42 L HN 0.951 nan 8.230 nan 0.000 0.405 43 G N 2.889 111.377 108.800 -0.520 0.000 2.732 43 G HA2 0.442 4.378 3.960 -0.040 0.000 0.296 43 G HA3 0.442 4.378 3.960 -0.040 0.000 0.296 43 G C -1.770 172.954 174.900 -0.293 0.000 1.448 43 G CA -0.477 44.443 45.100 -0.299 0.000 0.911 43 G HN 0.561 nan 8.290 nan 0.000 0.528 44 V N 1.450 121.017 119.914 -0.579 0.000 2.963 44 V HA 0.503 4.599 4.120 -0.040 0.000 0.306 44 V C -0.178 175.643 176.094 -0.454 0.000 1.077 44 V CA -0.266 61.424 62.300 -1.017 0.000 1.124 44 V CB 0.977 32.185 31.823 -1.025 0.000 0.987 44 V HN 0.569 nan 8.190 nan 0.000 0.487 45 L N 4.962 125.947 121.223 -0.396 0.000 2.325 45 L HA 0.532 4.848 4.340 -0.040 0.000 0.279 45 L C 0.098 176.838 176.870 -0.218 0.000 1.054 45 L CA -0.153 54.563 54.840 -0.206 0.000 0.804 45 L CB 1.215 43.194 42.059 -0.133 0.000 1.200 45 L HN 0.642 nan 8.230 nan 0.000 0.436 46 D N 2.848 123.164 120.400 -0.140 0.000 2.341 46 D HA 0.278 4.894 4.640 -0.040 0.000 0.245 46 D C -1.969 174.230 176.300 -0.169 0.000 1.106 46 D CA -0.938 52.965 54.000 -0.162 0.000 0.905 46 D CB 0.466 41.278 40.800 0.019 0.000 1.202 46 D HN 0.300 nan 8.370 nan 0.000 0.426 47 P HA 0.103 nan 4.420 nan 0.000 0.267 47 P C -0.521 176.739 177.300 -0.066 0.000 1.201 47 P CA -0.087 62.891 63.100 -0.204 0.000 0.775 47 P CB 0.498 32.014 31.700 -0.307 0.000 0.854 48 A N 3.610 126.402 122.820 -0.046 0.000 2.988 48 A HA 0.133 4.429 4.320 -0.040 0.000 0.288 48 A C 0.257 177.829 177.584 -0.021 0.000 1.385 48 A CA -0.461 51.571 52.037 -0.009 0.000 1.001 48 A CB -1.039 17.957 19.000 -0.008 0.000 1.071 48 A HN 0.683 nan 8.150 nan 0.000 0.608 49 R N -1.284 119.196 120.500 -0.033 0.000 2.837 49 R HA -0.139 4.177 4.340 -0.040 0.000 0.264 49 R C 0.146 176.426 176.300 -0.034 0.000 0.906 49 R CA 0.813 56.879 56.100 -0.057 0.000 0.711 49 R CB -2.537 27.622 30.300 -0.234 0.000 1.701 49 R HN 1.418 nan 8.270 nan 0.000 0.514 50 G N 0.139 108.939 108.800 -0.001 0.000 4.024 50 G HA2 0.424 4.360 3.960 -0.040 0.000 0.237 50 G HA3 0.424 4.360 3.960 -0.040 0.000 0.237 50 G C 0.498 175.402 174.900 0.006 0.000 3.869 50 G CA -0.131 44.970 45.100 0.002 0.000 0.560 50 G HN 0.694 nan 8.290 nan 0.000 0.230 51 A N -0.107 122.725 122.820 0.021 0.000 2.259 51 A HA 0.314 4.610 4.320 -0.040 0.000 0.212 51 A C 2.406 179.996 177.584 0.010 0.000 1.178 51 A CA 2.075 54.122 52.037 0.017 0.000 0.734 51 A CB -0.119 18.904 19.000 0.038 0.000 0.774 51 A HN 1.355 nan 8.150 nan 0.000 0.481 52 G N -0.977 107.829 108.800 0.010 0.000 2.559 52 G HA2 -0.039 3.897 3.960 -0.040 0.000 0.216 52 G HA3 -0.039 3.897 3.960 -0.040 0.000 0.216 52 G C 1.434 176.335 174.900 0.002 0.000 1.126 52 G CA 0.946 46.051 45.100 0.007 0.000 0.778 52 G HN 0.492 nan 8.290 nan 0.000 0.543 53 S N 0.144 115.843 115.700 -0.003 0.000 2.515 53 S HA 0.111 4.557 4.470 -0.040 0.000 0.231 53 S C 0.883 175.478 174.600 -0.008 0.000 0.987 53 S CA 0.436 58.632 58.200 -0.007 0.000 0.936 53 S CB 0.001 63.194 63.200 -0.013 0.000 0.766 53 S HN 0.681 nan 8.310 nan 0.000 0.528 54 E N -0.658 119.538 120.200 -0.007 0.000 5.660 54 E HA -0.293 4.033 4.350 -0.040 0.000 0.182 54 E C 0.741 177.334 176.600 -0.012 0.000 1.497 54 E CA 0.145 56.541 56.400 -0.007 0.000 2.554 54 E CB -1.108 28.590 29.700 -0.003 0.000 1.999 54 E HN 0.474 nan 8.360 nan 0.000 0.440 55 A N 0.510 123.324 122.820 -0.010 0.000 5.295 55 A HA -0.333 3.963 4.320 -0.040 0.000 0.313 55 A C 0.415 177.987 177.584 -0.020 0.000 1.912 55 A CA 2.230 54.260 52.037 -0.012 0.000 0.714 55 A CB -0.786 18.208 19.000 -0.010 0.000 1.319 55 A HN 0.953 nan 8.150 nan 0.000 0.375 56 E N -0.580 119.606 120.200 -0.023 0.000 2.935 56 E HA 0.430 4.756 4.350 -0.040 0.000 0.321 56 E C -2.428 174.155 176.600 -0.030 0.000 1.070 56 E CA 0.146 56.524 56.400 -0.036 0.000 0.882 56 E CB 1.125 30.806 29.700 -0.032 0.000 1.224 56 E HN 0.669 nan 8.360 nan 0.000 0.445 57 D N 3.316 123.691 120.400 -0.042 0.000 2.389 57 D HA 0.245 4.861 4.640 -0.040 0.000 0.256 57 D C -1.096 175.183 176.300 -0.034 0.000 1.239 57 D CA -0.438 53.547 54.000 -0.026 0.000 0.925 57 D CB 0.590 41.377 40.800 -0.022 0.000 1.145 57 D HN 0.192 nan 8.370 nan 0.000 0.542 58 R N 3.319 123.817 120.500 -0.002 0.000 2.220 58 R HA 0.379 4.696 4.340 -0.040 0.000 0.340 58 R C 0.199 176.562 176.300 0.104 0.000 1.076 58 R CA -0.246 55.864 56.100 0.017 0.000 0.920 58 R CB 0.736 31.091 30.300 0.091 0.000 1.062 58 R HN 0.348 nan 8.270 nan 0.000 0.469 59 R N 2.188 122.702 120.500 0.023 0.000 2.668 59 R HA 0.496 4.812 4.340 -0.040 0.000 0.279 59 R C -0.618 175.723 176.300 0.068 0.000 0.976 59 R CA -0.560 55.597 56.100 0.095 0.000 0.978 59 R CB 1.249 31.562 30.300 0.022 0.000 1.133 59 R HN 0.229 nan 8.270 nan 0.000 0.484 60 F N 0.457 120.389 119.950 -0.031 0.000 2.551 60 F HA 0.451 4.954 4.527 -0.040 0.000 0.316 60 F C 0.289 176.079 175.800 -0.016 0.000 1.089 60 F CA -0.798 57.178 58.000 -0.040 0.000 0.915 60 F CB 1.856 40.821 39.000 -0.059 0.000 1.186 60 F HN 0.177 nan 8.300 nan 0.000 0.456 61 R N 2.170 122.751 120.500 0.135 0.000 2.460 61 R HA 0.857 5.173 4.340 -0.040 0.000 0.303 61 R C -1.855 174.500 176.300 0.092 0.000 0.968 61 R CA -0.517 55.661 56.100 0.130 0.000 0.889 61 R CB 1.520 31.898 30.300 0.131 0.000 1.123 61 R HN 0.559 nan 8.270 nan 0.000 0.455 62 V N 4.658 124.661 119.914 0.148 0.000 2.760 62 V HA 0.482 4.578 4.120 -0.040 0.000 0.309 62 V C -1.144 175.192 176.094 0.403 0.000 1.077 62 V CA -0.839 61.544 62.300 0.139 0.000 0.910 62 V CB 1.994 33.879 31.823 0.104 0.000 1.008 62 V HN 0.567 nan 8.190 nan 0.000 0.424 63 F N 4.192 124.299 119.950 0.262 0.000 2.411 63 F HA 0.646 5.149 4.527 -0.040 0.000 0.352 63 F C 0.081 175.972 175.800 0.152 0.000 1.123 63 F CA -1.702 56.450 58.000 0.254 0.000 1.044 63 F CB 1.381 40.587 39.000 0.343 0.000 1.135 63 F HN 0.220 nan 8.300 nan 0.000 0.461 64 I N 3.836 124.577 120.570 0.284 0.000 2.362 64 I HA 0.236 4.383 4.170 -0.040 0.000 0.289 64 I C -0.391 175.810 176.117 0.139 0.000 0.994 64 I CA -0.757 60.643 61.300 0.166 0.000 1.158 64 I CB 1.603 39.666 38.000 0.105 0.000 1.315 64 I HN 0.508 nan 8.210 nan 0.000 0.451 65 H N 5.659 124.743 119.070 0.024 0.000 2.483 65 H HA 0.326 4.858 4.556 -0.039 0.000 0.338 65 H C -1.131 174.189 175.328 -0.014 0.000 1.152 65 H CA -0.393 55.649 56.048 -0.010 0.000 1.264 65 H CB 1.513 31.266 29.762 -0.015 0.000 1.510 65 H HN 0.537 nan 8.280 nan 0.000 0.530 66 D N 4.378 124.320 120.400 -0.763 0.000 2.453 66 D HA 0.113 4.729 4.640 -0.040 0.000 0.238 66 D C 0.614 176.492 176.300 -0.704 0.000 1.088 66 D CA -0.412 53.267 54.000 -0.535 0.000 0.854 66 D CB 1.401 42.044 40.800 -0.262 0.000 1.076 66 D HN 0.458 nan 8.370 nan 0.000 0.533 67 V N 3.091 122.753 119.914 -0.420 0.000 2.688 67 V HA -0.205 3.891 4.120 -0.040 0.000 0.256 67 V C 2.218 178.260 176.094 -0.087 0.000 1.084 67 V CA 1.429 63.634 62.300 -0.159 0.000 1.103 67 V CB -0.417 31.405 31.823 -0.001 0.000 0.688 67 V HN 0.475 nan 8.190 nan 0.000 0.480 68 S N 0.059 115.698 115.700 -0.103 0.000 2.371 68 S HA 0.176 4.622 4.470 -0.040 0.000 0.224 68 S C 1.739 176.305 174.600 -0.057 0.000 1.029 68 S CA 1.260 59.425 58.200 -0.058 0.000 0.978 68 S CB 0.129 63.299 63.200 -0.051 0.000 0.833 68 S HN 0.848 nan 8.310 nan 0.000 0.466 69 G N 0.310 109.056 108.800 -0.091 0.000 2.559 69 G HA2 0.174 4.110 3.960 -0.040 0.000 0.202 69 G HA3 0.174 4.110 3.960 -0.040 0.000 0.202 69 G C 0.083 174.940 174.900 -0.072 0.000 0.992 69 G CA -0.213 44.849 45.100 -0.064 0.000 0.764 69 G HN 0.722 nan 8.290 nan 0.000 0.525 70 A N 0.769 123.534 122.820 -0.090 0.000 2.386 70 A HA 0.662 4.958 4.320 -0.040 0.000 0.246 70 A C 0.839 178.371 177.584 -0.086 0.000 1.089 70 A CA -0.046 51.945 52.037 -0.077 0.000 0.790 70 A CB 0.232 19.190 19.000 -0.071 0.000 1.042 70 A HN 0.405 nan 8.150 nan 0.000 0.497 71 R N 1.298 121.757 120.500 -0.069 0.000 2.537 71 R HA 0.199 4.515 4.340 -0.040 0.000 0.280 71 R C -2.246 174.008 176.300 -0.076 0.000 1.058 71 R CA -1.008 55.048 56.100 -0.073 0.000 1.057 71 R CB -0.031 30.228 30.300 -0.068 0.000 0.973 71 R HN 0.590 nan 8.270 nan 0.000 0.438 72 P HA 0.058 nan 4.420 nan 0.000 0.274 72 P C -0.953 176.306 177.300 -0.069 0.000 1.246 72 P CA -0.219 62.844 63.100 -0.061 0.000 0.795 72 P CB 0.926 32.586 31.700 -0.067 0.000 1.006 73 Q N -0.359 119.432 119.800 -0.015 0.000 2.397 73 Q HA 0.349 4.665 4.340 -0.040 0.000 0.275 73 Q C -0.760 175.300 176.000 0.100 0.000 1.090 73 Q CA -0.693 55.119 55.803 0.015 0.000 0.809 73 Q CB 2.635 31.392 28.738 0.033 0.000 1.362 73 Q HN 0.461 nan 8.270 nan 0.000 0.431 74 E N 1.904 122.180 120.200 0.127 0.000 2.133 74 E HA 0.463 4.790 4.350 -0.040 0.000 0.274 74 E C -1.500 175.234 176.600 0.223 0.000 0.930 74 E CA -0.500 56.073 56.400 0.288 0.000 0.770 74 E CB 1.228 31.120 29.700 0.320 0.000 1.104 74 E HN 0.285 nan 8.360 nan 0.000 0.403 75 V N 3.672 123.729 119.914 0.239 0.000 2.709 75 V HA 0.360 4.456 4.120 -0.040 0.000 0.308 75 V C -0.387 175.800 176.094 0.154 0.000 1.062 75 V CA -0.751 61.644 62.300 0.158 0.000 0.901 75 V CB 2.297 34.190 31.823 0.117 0.000 1.003 75 V HN 0.726 nan 8.190 nan 0.000 0.425 76 T N 4.139 118.765 114.554 0.120 0.000 2.786 76 T HA 0.613 4.939 4.350 -0.040 0.000 0.283 76 T C -0.338 174.416 174.700 0.089 0.000 0.992 76 T CA -0.373 61.793 62.100 0.110 0.000 0.954 76 T CB 1.446 70.369 68.868 0.092 0.000 0.934 76 T HN 0.753 nan 8.240 nan 0.000 0.440 77 V N 1.026 121.001 119.914 0.101 0.000 2.881 77 V HA 0.918 5.014 4.120 -0.040 0.000 0.316 77 V C -0.091 176.059 176.094 0.094 0.000 1.070 77 V CA -0.891 61.453 62.300 0.074 0.000 0.976 77 V CB 2.077 33.923 31.823 0.039 0.000 1.038 77 V HN 0.753 nan 8.190 nan 0.000 0.446 78 S N 1.846 117.583 115.700 0.061 0.000 2.498 78 S HA 0.463 4.909 4.470 -0.040 0.000 0.324 78 S C 0.383 175.010 174.600 0.044 0.000 1.071 78 S CA -0.352 57.887 58.200 0.064 0.000 1.113 78 S CB 1.207 64.428 63.200 0.036 0.000 0.976 78 S HN 0.812 nan 8.310 nan 0.000 0.462 79 V N 5.022 124.977 119.914 0.069 0.000 2.871 79 V HA -0.042 4.054 4.120 -0.040 0.000 0.256 79 V C 2.367 178.469 176.094 0.013 0.000 1.082 79 V CA 1.930 64.235 62.300 0.008 0.000 1.105 79 V CB -0.712 31.102 31.823 -0.015 0.000 0.713 79 V HN 0.894 nan 8.190 nan 0.000 0.473 80 T N 0.679 115.251 114.554 0.031 0.000 2.857 80 T HA -0.080 4.246 4.350 -0.040 0.000 0.266 80 T C 1.537 176.240 174.700 0.006 0.000 1.048 80 T CA 1.355 63.465 62.100 0.016 0.000 1.139 80 T CB -0.184 68.693 68.868 0.014 0.000 0.874 80 T HN 0.452 nan 8.240 nan 0.000 0.455 81 N N 0.029 118.733 118.700 0.007 0.000 2.220 81 N HA 0.198 4.914 4.740 -0.040 0.000 0.195 81 N C 1.210 176.720 175.510 -0.001 0.000 1.123 81 N CA 0.533 53.585 53.050 0.003 0.000 0.874 81 N CB 0.591 39.081 38.487 0.005 0.000 0.995 81 N HN 0.448 nan 8.380 nan 0.000 0.498 82 G N 1.693 110.490 108.800 -0.004 0.000 2.273 82 G HA2 -0.270 3.666 3.960 -0.040 0.000 0.280 82 G HA3 -0.270 3.666 3.960 -0.040 0.000 0.280 82 G C 0.077 174.974 174.900 -0.006 0.000 1.047 82 G CA 1.032 46.125 45.100 -0.012 0.000 0.869 82 G HN 0.467 nan 8.290 nan 0.000 0.502 83 T N -3.545 111.011 114.554 0.002 0.000 2.930 83 T HA 0.714 5.040 4.350 -0.040 0.000 0.290 83 T C -0.261 174.447 174.700 0.014 0.000 1.052 83 T CA -0.771 61.333 62.100 0.007 0.000 1.017 83 T CB 2.847 71.720 68.868 0.009 0.000 1.137 83 T HN 0.681 nan 8.240 nan 0.000 0.511 84 V N 2.194 122.118 119.914 0.016 0.000 2.350 84 V HA 0.307 4.403 4.120 -0.040 0.000 0.276 84 V C 0.955 177.065 176.094 0.027 0.000 1.028 84 V CA -0.465 61.850 62.300 0.025 0.000 0.860 84 V CB 0.544 32.380 31.823 0.023 0.000 0.990 84 V HN 0.872 nan 8.190 nan 0.000 0.453 85 I N 3.238 123.829 120.570 0.035 0.000 2.584 85 I HA 0.034 4.181 4.170 -0.040 0.000 0.255 85 I C 0.958 177.096 176.117 0.035 0.000 1.145 85 I CA 0.811 62.130 61.300 0.032 0.000 1.462 85 I CB 0.318 38.339 38.000 0.034 0.000 1.102 85 I HN 0.756 nan 8.210 nan 0.000 0.433 86 S N 0.052 115.779 115.700 0.046 0.000 2.565 86 S HA 0.830 5.276 4.470 -0.040 0.000 0.269 86 S C -0.923 173.712 174.600 0.059 0.000 1.153 86 S CA -0.517 57.712 58.200 0.049 0.000 0.835 86 S CB 2.409 65.642 63.200 0.055 0.000 1.122 86 S HN 0.132 nan 8.310 nan 0.000 0.462 87 A N 1.258 124.110 122.820 0.053 0.000 2.541 87 A HA 0.634 4.930 4.320 -0.040 0.000 0.285 87 A C -1.253 176.357 177.584 0.044 0.000 1.058 87 A CA -0.572 51.498 52.037 0.056 0.000 0.886 87 A CB 0.704 19.729 19.000 0.042 0.000 1.411 87 A HN 1.283 nan 8.150 nan 0.000 0.403 88 V N 1.798 121.743 119.914 0.052 0.000 2.555 88 V HA 0.436 4.532 4.120 -0.040 0.000 0.302 88 V C 0.243 176.342 176.094 0.008 0.000 1.038 88 V CA -0.710 61.608 62.300 0.030 0.000 0.887 88 V CB 1.830 33.677 31.823 0.039 0.000 0.991 88 V HN 0.883 nan 8.190 nan 0.000 0.434 89 E N 3.208 123.400 120.200 -0.013 0.000 2.338 89 E HA 0.443 4.769 4.350 -0.040 0.000 0.272 89 E C -1.141 175.417 176.600 -0.069 0.000 1.029 89 E CA -0.309 56.067 56.400 -0.039 0.000 0.872 89 E CB 1.281 30.960 29.700 -0.036 0.000 1.015 89 E HN 0.460 nan 8.360 nan 0.000 0.417 90 L N 2.628 123.778 121.223 -0.121 0.000 2.309 90 L HA 0.258 4.574 4.340 -0.040 0.000 0.282 90 L C 0.195 176.963 176.870 -0.169 0.000 1.036 90 L CA -0.649 54.077 54.840 -0.190 0.000 0.806 90 L CB 1.097 42.927 42.059 -0.381 0.000 1.220 90 L HN 0.409 nan 8.230 nan 0.000 0.429 91 D N 1.477 121.789 120.400 -0.147 0.000 2.479 91 D HA 0.050 4.666 4.640 -0.040 0.000 0.218 91 D C 1.306 177.515 176.300 -0.152 0.000 1.131 91 D CA -0.214 53.714 54.000 -0.120 0.000 0.916 91 D CB 1.268 42.019 40.800 -0.083 0.000 1.022 91 D HN 0.707 nan 8.370 nan 0.000 0.515 92 T N 0.741 115.188 114.554 -0.178 0.000 2.803 92 T HA -0.180 4.146 4.350 -0.040 0.000 0.269 92 T C 1.820 176.432 174.700 -0.147 0.000 1.052 92 T CA 1.125 63.108 62.100 -0.195 0.000 1.136 92 T CB -0.070 68.692 68.868 -0.177 0.000 0.864 92 T HN 0.255 nan 8.240 nan 0.000 0.467 93 A N 1.251 123.999 122.820 -0.120 0.000 2.015 93 A HA 0.457 4.753 4.320 -0.040 0.000 0.219 93 A C 2.677 180.179 177.584 -0.137 0.000 1.163 93 A CA 1.569 53.536 52.037 -0.115 0.000 0.646 93 A CB -1.063 17.884 19.000 -0.088 0.000 0.806 93 A HN 0.767 nan 8.150 nan 0.000 0.448 94 A N -0.671 122.078 122.820 -0.118 0.000 1.862 94 A HA 0.084 4.380 4.320 -0.040 0.000 0.211 94 A C 2.212 179.741 177.584 -0.092 0.000 1.220 94 A CA 1.888 53.863 52.037 -0.104 0.000 0.616 94 A CB -0.867 18.093 19.000 -0.066 0.000 0.878 94 A HN 0.658 nan 8.150 nan 0.000 0.453 95 T N -3.253 111.271 114.554 -0.051 0.000 3.086 95 T HA 0.471 4.797 4.350 -0.040 0.000 0.250 95 T C 0.874 175.681 174.700 0.178 0.000 1.074 95 T CA 0.811 62.962 62.100 0.084 0.000 0.988 95 T CB -0.201 68.702 68.868 0.059 0.000 0.988 95 T HN 1.912 nan 8.240 nan 0.000 0.530 96 G N 1.193 109.990 108.800 -0.004 0.000 2.663 96 G HA2 -0.001 3.936 3.960 -0.040 0.000 0.686 96 G HA3 -0.001 3.936 3.960 -0.040 0.000 0.686 96 G C -0.977 173.849 174.900 -0.122 0.000 1.246 96 G CA -1.060 44.051 45.100 0.018 0.000 0.795 96 G HN 0.281 nan 8.290 nan 0.000 0.627 97 E N -0.411 119.734 120.200 -0.091 0.000 2.345 97 E HA 0.542 4.869 4.350 -0.040 0.000 0.259 97 E C 0.650 177.192 176.600 -0.098 0.000 1.117 97 E CA -0.582 55.740 56.400 -0.130 0.000 0.913 97 E CB 0.995 30.641 29.700 -0.089 0.000 1.057 97 E HN 0.374 nan 8.360 nan 0.000 0.432 98 L N 1.738 122.890 121.223 -0.118 0.000 2.466 98 L HA 0.229 4.546 4.340 -0.040 0.000 0.257 98 L C -2.075 174.805 176.870 0.016 0.000 1.189 98 L CA -1.495 53.340 54.840 -0.007 0.000 0.813 98 L CB -0.539 41.511 42.059 -0.014 0.000 1.118 98 L HN 0.258 nan 8.230 nan 0.000 0.471 99 P HA -0.020 nan 4.420 nan 0.000 0.265 99 P C -0.844 176.441 177.300 -0.025 0.000 1.187 99 P CA -0.216 62.911 63.100 0.046 0.000 0.766 99 P CB 0.270 32.051 31.700 0.134 0.000 0.820 100 V N 4.712 124.584 119.914 -0.071 0.000 2.540 100 V HA -0.076 4.020 4.120 -0.040 0.000 0.297 100 V C 0.847 176.918 176.094 -0.038 0.000 1.024 100 V CA 0.413 62.679 62.300 -0.056 0.000 1.105 100 V CB -0.486 31.306 31.823 -0.051 0.000 0.938 100 V HN 0.345 nan 8.190 nan 0.000 0.482 101 L N 4.139 125.290 121.223 -0.119 0.000 2.349 101 L HA 0.235 4.552 4.340 -0.040 0.000 0.275 101 L C 1.702 178.325 176.870 -0.411 0.000 1.115 101 L CA -0.003 54.724 54.840 -0.188 0.000 0.820 101 L CB 0.632 42.590 42.059 -0.169 0.000 1.135 101 L HN 0.724 nan 8.230 nan 0.000 0.445 102 E N 2.444 122.352 120.200 -0.487 0.000 2.160 102 E HA -0.238 4.088 4.350 -0.040 0.000 0.195 102 E C 1.421 177.669 176.600 -0.587 0.000 0.991 102 E CA 1.746 57.615 56.400 -0.885 0.000 0.810 102 E CB 0.274 29.809 29.700 -0.275 0.000 0.742 102 E HN 0.805 nan 8.360 nan 0.000 0.466 103 E N -0.153 119.893 120.200 -0.256 0.000 2.516 103 E HA -0.134 4.193 4.350 -0.040 0.000 0.199 103 E C 1.107 177.691 176.600 -0.027 0.000 1.069 103 E CA 0.635 56.983 56.400 -0.086 0.000 0.876 103 E CB -0.054 29.624 29.700 -0.036 0.000 0.843 103 E HN 0.302 nan 8.360 nan 0.000 0.530 104 E N -0.297 119.870 120.200 -0.055 0.000 2.472 104 E HA 0.032 4.358 4.350 -0.040 0.000 0.196 104 E C 0.749 177.509 176.600 0.267 0.000 1.033 104 E CA -0.233 56.214 56.400 0.078 0.000 0.886 104 E CB 0.089 29.821 29.700 0.053 0.000 0.944 104 E HN 0.235 nan 8.360 nan 0.000 0.492 105 F N 1.560 121.556 119.950 0.077 0.000 2.293 105 F HA -0.073 4.431 4.527 -0.038 0.000 0.300 105 F C 1.764 177.602 175.800 0.062 0.000 1.086 105 F CA 1.013 59.063 58.000 0.084 0.000 1.375 105 F CB -0.287 38.769 39.000 0.093 0.000 1.045 105 F HN 0.016 nan 8.300 nan 0.000 0.516 106 E N -0.400 119.946 120.200 0.244 0.000 2.166 106 E HA -0.028 4.298 4.350 -0.040 0.000 0.192 106 E C 2.375 179.032 176.600 0.095 0.000 0.967 106 E CA 0.441 56.927 56.400 0.144 0.000 0.840 106 E CB -0.688 29.082 29.700 0.117 0.000 0.795 106 E HN 0.036 nan 8.360 nan 0.000 0.470 107 V N 0.949 120.918 119.914 0.092 0.000 2.317 107 V HA -0.300 3.797 4.120 -0.040 0.000 0.251 107 V C 2.187 178.289 176.094 0.013 0.000 1.065 107 V CA 1.737 64.067 62.300 0.051 0.000 1.049 107 V CB -0.700 31.154 31.823 0.053 0.000 0.651 107 V HN 0.145 nan 8.190 nan 0.000 0.450 108 V N -0.325 119.599 119.914 0.017 0.000 2.343 108 V HA -0.302 3.794 4.120 -0.040 0.000 0.247 108 V C 2.399 178.421 176.094 -0.120 0.000 1.051 108 V CA 2.362 64.631 62.300 -0.052 0.000 1.036 108 V CB -0.625 31.183 31.823 -0.025 0.000 0.654 108 V HN 0.669 nan 8.190 nan 0.000 0.451 109 E N -0.147 120.020 120.200 -0.054 0.000 2.047 109 E HA -0.241 4.085 4.350 -0.040 0.000 0.191 109 E C 2.320 178.889 176.600 -0.052 0.000 0.987 109 E CA 1.232 57.601 56.400 -0.052 0.000 0.799 109 E CB -0.048 29.668 29.700 0.026 0.000 0.752 109 E HN 0.691 nan 8.360 nan 0.000 0.449 110 Q N 0.328 120.117 119.800 -0.018 0.000 2.030 110 Q HA -0.183 4.134 4.340 -0.040 0.000 0.204 110 Q C 2.446 178.426 176.000 -0.033 0.000 0.986 110 Q CA 1.680 57.480 55.803 -0.006 0.000 0.843 110 Q CB -0.154 28.592 28.738 0.013 0.000 0.904 110 Q HN 0.350 nan 8.270 nan 0.000 0.420 111 L N 0.234 121.421 121.223 -0.061 0.000 2.083 111 L HA -0.195 4.121 4.340 -0.040 0.000 0.209 111 L C 2.289 179.083 176.870 -0.128 0.000 1.083 111 L CA 0.861 55.655 54.840 -0.077 0.000 0.752 111 L CB -0.396 41.614 42.059 -0.081 0.000 0.899 111 L HN 0.270 nan 8.230 nan 0.000 0.433 112 L N -0.387 120.687 121.223 -0.249 0.000 2.156 112 L HA -0.108 4.209 4.340 -0.040 0.000 0.208 112 L C 2.792 179.577 176.870 -0.142 0.000 1.095 112 L CA 0.761 55.331 54.840 -0.450 0.000 0.770 112 L CB -0.628 40.731 42.059 -1.165 0.000 0.914 112 L HN 0.218 nan 8.230 nan 0.000 0.439 113 A N -0.136 122.675 122.820 -0.016 0.000 2.131 113 A HA -0.176 4.120 4.320 -0.040 0.000 0.220 113 A C 2.071 179.719 177.584 0.108 0.000 1.158 113 A CA 2.048 54.158 52.037 0.121 0.000 0.665 113 A CB -0.685 18.364 19.000 0.082 0.000 0.795 113 A HN 0.520 nan 8.150 nan 0.000 0.460 114 T N -3.730 110.861 114.554 0.061 0.000 3.084 114 T HA 0.257 4.583 4.350 -0.040 0.000 0.270 114 T C -0.083 174.651 174.700 0.056 0.000 1.008 114 T CA 0.192 62.324 62.100 0.053 0.000 0.900 114 T CB -0.274 68.611 68.868 0.028 0.000 1.084 114 T HN 0.293 nan 8.240 nan 0.000 0.538 115 D N 1.316 121.762 120.400 0.077 0.000 2.277 115 D HA 0.238 4.855 4.640 -0.040 0.000 0.249 115 D C 1.081 177.456 176.300 0.125 0.000 1.134 115 D CA -0.307 53.742 54.000 0.081 0.000 0.863 115 D CB 1.169 42.007 40.800 0.063 0.000 1.143 115 D HN 0.190 nan 8.370 nan 0.000 0.458 116 E N 2.167 122.413 120.200 0.078 0.000 2.153 116 E HA -0.173 4.154 4.350 -0.040 0.000 0.194 116 E C 1.672 178.315 176.600 0.071 0.000 0.988 116 E CA 0.823 57.261 56.400 0.064 0.000 0.811 116 E CB 0.250 29.972 29.700 0.036 0.000 0.746 116 E HN 0.446 nan 8.360 nan 0.000 0.466 117 R N -0.084 120.469 120.500 0.088 0.000 2.075 117 R HA -0.090 4.226 4.340 -0.040 0.000 0.232 117 R C 2.134 178.515 176.300 0.135 0.000 1.126 117 R CA 1.165 57.316 56.100 0.084 0.000 0.963 117 R CB -0.261 30.084 30.300 0.076 0.000 0.858 117 R HN 0.375 nan 8.270 nan 0.000 0.435 118 W N 1.380 122.660 121.300 -0.034 0.000 2.379 118 W HA -0.146 4.508 4.660 -0.010 0.000 0.307 118 W C 1.444 177.949 176.519 -0.023 0.000 1.200 118 W CA 1.191 58.517 57.345 -0.031 0.000 1.297 118 W CB -0.098 29.347 29.460 -0.025 0.000 1.140 118 W HN 0.077 nan 8.180 nan 0.000 0.507 119 L N 0.757 122.049 121.223 0.116 0.000 2.131 119 L HA -0.246 4.070 4.340 -0.040 0.000 0.210 119 L C 2.447 179.284 176.870 -0.056 0.000 1.092 119 L CA 1.384 56.229 54.840 0.008 0.000 0.759 119 L CB -0.862 41.233 42.059 0.059 0.000 0.903 119 L HN -0.116 nan 8.230 nan 0.000 0.435 120 K N 0.366 120.745 120.400 -0.036 0.000 2.026 120 K HA -0.114 4.182 4.320 -0.040 0.000 0.208 120 K C 2.127 178.668 176.600 -0.099 0.000 1.048 120 K CA 1.440 57.697 56.287 -0.049 0.000 0.929 120 K CB -0.279 32.207 32.500 -0.024 0.000 0.713 120 K HN 0.239 nan 8.250 nan 0.000 0.439 121 A N 0.514 123.243 122.820 -0.152 0.000 1.902 121 A HA -0.106 4.190 4.320 -0.040 0.000 0.217 121 A C 2.131 179.555 177.584 -0.267 0.000 1.181 121 A CA 1.425 53.330 52.037 -0.220 0.000 0.623 121 A CB -0.689 18.124 19.000 -0.311 0.000 0.818 121 A HN 0.283 nan 8.150 nan 0.000 0.443 122 L N -0.869 120.148 121.223 -0.343 0.000 2.083 122 L HA -0.183 4.133 4.340 -0.040 0.000 0.209 122 L C 3.081 179.853 176.870 -0.164 0.000 1.083 122 L CA 1.041 55.707 54.840 -0.291 0.000 0.752 122 L CB -0.639 41.239 42.059 -0.303 0.000 0.899 122 L HN 0.456 nan 8.230 nan 0.000 0.433 123 A N 0.213 122.958 122.820 -0.125 0.000 1.930 123 A HA -0.122 4.174 4.320 -0.040 0.000 0.217 123 A C 2.503 180.042 177.584 -0.075 0.000 1.175 123 A CA 1.557 53.546 52.037 -0.080 0.000 0.627 123 A CB -0.589 18.377 19.000 -0.058 0.000 0.815 123 A HN 0.387 nan 8.150 nan 0.000 0.443 124 A N -0.538 122.231 122.820 -0.085 0.000 2.070 124 A HA -0.086 4.210 4.320 -0.040 0.000 0.220 124 A C 2.075 179.616 177.584 -0.072 0.000 1.159 124 A CA 1.372 53.366 52.037 -0.072 0.000 0.656 124 A CB -0.298 18.658 19.000 -0.073 0.000 0.800 124 A HN 0.544 nan 8.150 nan 0.000 0.453 125 R N -0.904 119.543 120.500 -0.088 0.000 2.397 125 R HA 0.122 4.439 4.340 -0.040 0.000 0.241 125 R C -0.274 175.984 176.300 -0.070 0.000 0.914 125 R CA 0.137 56.190 56.100 -0.079 0.000 1.071 125 R CB 0.231 30.471 30.300 -0.100 0.000 1.116 125 R HN 0.446 nan 8.270 nan 0.000 0.524 126 N N 0.927 119.587 118.700 -0.068 0.000 2.754 126 N HA -0.179 4.538 4.740 -0.040 0.000 0.248 126 N C -1.023 174.452 175.510 -0.058 0.000 1.093 126 N CA 0.913 53.931 53.050 -0.055 0.000 0.699 126 N CB -1.381 37.081 38.487 -0.042 0.000 1.016 126 N HN 0.262 nan 8.380 nan 0.000 0.552 127 L N 0.384 121.561 121.223 -0.076 0.000 2.295 127 L HA 0.313 4.630 4.340 -0.040 0.000 0.285 127 L C 0.695 177.529 176.870 -0.060 0.000 1.035 127 L CA -0.812 53.983 54.840 -0.076 0.000 0.806 127 L CB 1.344 43.340 42.059 -0.106 0.000 1.214 127 L HN -0.085 nan 8.230 nan 0.000 0.426 128 D N 2.346 122.724 120.400 -0.038 0.000 2.358 128 D HA -0.012 4.604 4.640 -0.040 0.000 0.258 128 D C 0.863 177.160 176.300 -0.004 0.000 1.223 128 D CA 0.130 54.120 54.000 -0.017 0.000 0.886 128 D CB 1.759 42.555 40.800 -0.007 0.000 1.120 128 D HN 0.299 nan 8.370 nan 0.000 0.482 129 V N 4.038 123.957 119.914 0.008 0.000 2.453 129 V HA -0.273 3.823 4.120 -0.040 0.000 0.252 129 V C 2.074 178.208 176.094 0.066 0.000 1.068 129 V CA 2.877 65.207 62.300 0.050 0.000 1.070 129 V CB -0.463 31.408 31.823 0.080 0.000 0.664 129 V HN 0.736 nan 8.190 nan 0.000 0.461 130 S N -1.429 114.298 115.700 0.045 0.000 2.515 130 S HA -0.075 4.371 4.470 -0.040 0.000 0.231 130 S C 1.688 176.310 174.600 0.037 0.000 0.987 130 S CA 0.994 59.220 58.200 0.044 0.000 0.936 130 S CB -0.317 62.904 63.200 0.035 0.000 0.766 130 S HN 0.735 nan 8.310 nan 0.000 0.528 131 K N 0.566 120.983 120.400 0.028 0.000 2.358 131 K HA 0.293 4.590 4.320 -0.040 0.000 0.200 131 K C -0.677 175.933 176.600 0.018 0.000 1.030 131 K CA -0.035 56.261 56.287 0.015 0.000 1.097 131 K CB 0.944 33.444 32.500 0.000 0.000 0.862 131 K HN 0.205 nan 8.250 nan 0.000 0.534 132 V N 3.610 123.551 119.914 0.045 0.000 2.334 132 V HA 0.186 4.282 4.120 -0.040 0.000 0.267 132 V C 0.137 176.298 176.094 0.112 0.000 1.040 132 V CA -0.708 61.636 62.300 0.072 0.000 0.866 132 V CB 0.659 32.533 31.823 0.084 0.000 1.019 132 V HN 0.152 nan 8.190 nan 0.000 0.468 133 R N 3.438 123.987 120.500 0.081 0.000 2.441 133 R HA 0.568 4.885 4.340 -0.040 0.000 0.284 133 R C -0.715 175.674 176.300 0.147 0.000 1.070 133 R CA -0.387 55.753 56.100 0.066 0.000 1.047 133 R CB 1.637 31.913 30.300 -0.041 0.000 1.016 133 R HN 0.445 nan 8.270 nan 0.000 0.477 134 V N 1.872 121.863 119.914 0.128 0.000 2.487 134 V HA 0.433 4.530 4.120 -0.040 0.000 0.298 134 V C 0.005 176.176 176.094 0.129 0.000 1.028 134 V CA -1.188 61.212 62.300 0.168 0.000 0.860 134 V CB 1.777 33.653 31.823 0.088 0.000 0.991 134 V HN 0.851 nan 8.190 nan 0.000 0.427 135 A N 7.269 130.216 122.820 0.213 0.000 2.309 135 A HA 0.669 4.965 4.320 -0.040 0.000 0.290 135 A C -2.204 175.471 177.584 0.151 0.000 1.206 135 A CA -1.470 50.670 52.037 0.173 0.000 0.850 135 A CB 0.282 19.484 19.000 0.336 0.000 1.118 135 A HN 0.610 nan 8.150 nan 0.000 0.523 136 P HA 0.257 nan 4.420 nan 0.000 0.268 136 P C -0.907 176.466 177.300 0.122 0.000 1.541 136 P CA 0.284 63.433 63.100 0.081 0.000 1.093 136 P CB 0.062 31.813 31.700 0.085 0.000 1.551 137 L N 2.244 123.598 121.223 0.219 0.000 2.322 137 L HA 0.366 4.682 4.340 -0.040 0.000 0.279 137 L C 1.218 178.345 176.870 0.428 0.000 1.036 137 L CA -0.861 54.193 54.840 0.356 0.000 0.807 137 L CB 1.169 43.593 42.059 0.608 0.000 1.226 137 L HN 0.246 nan 8.230 nan 0.000 0.433 138 S N 0.999 117.044 115.700 0.574 0.000 2.563 138 S HA 0.204 4.651 4.470 -0.040 0.000 0.284 138 S C 0.837 175.697 174.600 0.434 0.000 1.331 138 S CA -0.088 58.359 58.200 0.413 0.000 1.047 138 S CB 1.348 64.820 63.200 0.452 0.000 0.859 138 S HN 0.748 nan 8.310 nan 0.000 0.514 139 A N 2.811 125.767 122.820 0.227 0.000 2.044 139 A HA 0.590 4.886 4.320 -0.040 0.000 0.213 139 A C 1.535 179.311 177.584 0.319 0.000 1.169 139 A CA 0.611 52.738 52.037 0.149 0.000 0.724 139 A CB -1.409 17.567 19.000 -0.040 0.000 0.840 139 A HN 2.294 nan 8.150 nan 0.000 0.463 140 G N -1.553 107.398 108.800 0.252 0.000 2.645 140 G HA2 -0.063 3.873 3.960 -0.040 0.000 0.246 140 G HA3 -0.063 3.873 3.960 -0.040 0.000 0.246 140 G C -0.379 174.524 174.900 0.005 0.000 1.322 140 G CA -0.166 45.040 45.100 0.176 0.000 0.898 140 G HN 1.115 nan 8.290 nan 0.000 0.573 141 V N 0.969 120.692 119.914 -0.318 0.000 2.447 141 V HA 0.718 4.814 4.120 -0.040 0.000 0.292 141 V C -0.164 175.525 176.094 -0.676 0.000 1.021 141 V CA -0.341 61.765 62.300 -0.322 0.000 0.850 141 V CB 1.119 32.788 31.823 -0.256 0.000 1.005 141 V HN 0.692 nan 8.190 nan 0.000 0.426 142 F N 1.797 121.724 119.950 -0.040 0.000 3.168 142 F HA 0.408 4.912 4.527 -0.037 0.000 0.237 142 F C 1.687 177.346 175.800 -0.236 0.000 1.560 142 F CA -0.503 57.419 58.000 -0.130 0.000 0.948 142 F CB 0.298 39.213 39.000 -0.141 0.000 1.885 142 F HN 0.457 nan 8.300 nan 0.000 0.360 143 E N 0.557 120.609 120.200 -0.247 0.000 2.465 143 E HA -0.048 4.278 4.350 -0.040 0.000 0.191 143 E C -0.880 175.561 176.600 -0.265 0.000 1.053 143 E CA 0.326 56.561 56.400 -0.275 0.000 0.869 143 E CB -0.553 28.999 29.700 -0.247 0.000 0.977 143 E HN 0.503 nan 8.360 nan 0.000 0.483 144 Y N 1.382 121.731 120.300 0.082 0.000 2.632 144 Y HA 0.401 4.927 4.550 -0.039 0.000 0.336 144 Y C 1.636 177.549 175.900 0.021 0.000 1.237 144 Y CA -0.311 57.820 58.100 0.052 0.000 1.595 144 Y CB 0.262 38.745 38.460 0.039 0.000 1.508 144 Y HN 0.088 nan 8.280 nan 0.000 0.480 145 A N 2.092 124.986 122.820 0.124 0.000 1.958 145 A HA -0.250 4.046 4.320 -0.040 0.000 0.221 145 A C 2.181 179.801 177.584 0.060 0.000 1.178 145 A CA 1.984 54.059 52.037 0.063 0.000 0.642 145 A CB -0.276 18.750 19.000 0.043 0.000 0.816 145 A HN 0.684 nan 8.150 nan 0.000 0.453 146 E N 0.598 120.848 120.200 0.084 0.000 2.516 146 E HA -0.154 4.172 4.350 -0.040 0.000 0.199 146 E C 1.096 177.720 176.600 0.040 0.000 1.069 146 E CA 1.244 57.676 56.400 0.053 0.000 0.876 146 E CB -0.424 29.307 29.700 0.053 0.000 0.843 146 E HN 0.774 nan 8.360 nan 0.000 0.530 147 E N 0.608 120.843 120.200 0.057 0.000 2.385 147 E HA 0.071 4.398 4.350 -0.040 0.000 0.194 147 E C 0.130 176.729 176.600 -0.002 0.000 1.013 147 E CA -0.212 56.205 56.400 0.028 0.000 0.866 147 E CB 0.183 29.913 29.700 0.050 0.000 0.832 147 E HN 0.174 nan 8.360 nan 0.000 0.500 148 R N 0.393 120.889 120.500 -0.006 0.000 2.458 148 R HA 0.123 4.439 4.340 -0.040 0.000 0.303 148 R C 0.888 177.164 176.300 -0.040 0.000 1.013 148 R CA 0.773 56.852 56.100 -0.036 0.000 1.026 148 R CB 0.228 30.504 30.300 -0.040 0.000 0.948 148 R HN 0.279 nan 8.270 nan 0.000 0.417 149 G N 2.635 111.402 108.800 -0.055 0.000 2.241 149 G HA2 -0.308 3.628 3.960 -0.040 0.000 0.244 149 G HA3 -0.308 3.628 3.960 -0.040 0.000 0.244 149 G C 0.136 175.011 174.900 -0.042 0.000 0.998 149 G CA -0.257 44.810 45.100 -0.054 0.000 0.621 149 G HN 0.528 nan 8.290 nan 0.000 0.519 150 R N 0.124 120.605 120.500 -0.032 0.000 2.540 150 R HA 0.604 4.920 4.340 -0.040 0.000 0.287 150 R C 0.403 176.687 176.300 -0.026 0.000 0.980 150 R CA -0.815 55.272 56.100 -0.022 0.000 0.966 150 R CB 1.161 31.452 30.300 -0.015 0.000 1.106 150 R HN 0.212 nan 8.270 nan 0.000 0.480 151 R N 3.880 124.370 120.500 -0.017 0.000 2.296 151 R HA 0.179 4.495 4.340 -0.040 0.000 0.327 151 R C -0.619 175.666 176.300 -0.026 0.000 1.137 151 R CA -0.259 55.825 56.100 -0.027 0.000 1.020 151 R CB 0.230 30.517 30.300 -0.021 0.000 1.110 151 R HN 0.424 nan 8.270 nan 0.000 0.499 152 I N 5.407 125.955 120.570 -0.036 0.000 2.498 152 I HA 0.374 4.521 4.170 -0.040 0.000 0.301 152 I C 0.101 176.194 176.117 -0.040 0.000 0.984 152 I CA -0.961 60.311 61.300 -0.047 0.000 1.204 152 I CB 1.496 39.449 38.000 -0.080 0.000 1.362 152 I HN 0.617 nan 8.210 nan 0.000 0.471 153 L N 5.252 126.453 121.223 -0.038 0.000 2.401 153 L HA 0.530 4.846 4.340 -0.040 0.000 0.266 153 L C -0.189 176.650 176.870 -0.052 0.000 0.991 153 L CA -0.790 54.045 54.840 -0.008 0.000 0.818 153 L CB 2.565 44.646 42.059 0.037 0.000 1.321 153 L HN 0.549 nan 8.230 nan 0.000 0.413 154 R N 0.937 121.398 120.500 -0.066 0.000 2.668 154 R HA 0.734 5.051 4.340 -0.040 0.000 0.279 154 R C -0.302 176.019 176.300 0.035 0.000 0.976 154 R CA -0.825 55.192 56.100 -0.138 0.000 0.978 154 R CB 2.044 31.952 30.300 -0.655 0.000 1.133 154 R HN 0.735 nan 8.270 nan 0.000 0.484 155 G N 1.764 110.597 108.800 0.056 0.000 2.617 155 G HA2 0.591 4.527 3.960 -0.040 0.000 0.306 155 G HA3 0.591 4.527 3.960 -0.040 0.000 0.306 155 G C -1.062 174.005 174.900 0.278 0.000 1.360 155 G CA -0.588 44.589 45.100 0.127 0.000 0.983 155 G HN 0.269 nan 8.290 nan 0.000 0.496 156 L N 1.428 122.890 121.223 0.399 0.000 2.365 156 L HA 0.730 5.047 4.340 -0.040 0.000 0.273 156 L C 0.463 177.503 176.870 0.282 0.000 1.000 156 L CA -1.023 54.051 54.840 0.390 0.000 0.819 156 L CB 2.246 44.633 42.059 0.548 0.000 1.284 156 L HN 0.647 nan 8.230 nan 0.000 0.418 157 A N 2.982 125.848 122.820 0.077 0.000 2.306 157 A HA 0.843 5.139 4.320 -0.040 0.000 0.314 157 A C -1.187 176.109 177.584 -0.479 0.000 1.164 157 A CA -0.164 51.882 52.037 0.015 0.000 0.822 157 A CB 0.435 19.514 19.000 0.132 0.000 1.130 157 A HN 0.512 nan 8.150 nan 0.000 0.496 158 F N 1.006 120.922 119.950 -0.057 0.000 2.574 158 F HA 0.405 4.911 4.527 -0.035 0.000 0.313 158 F C -0.116 175.628 175.800 -0.093 0.000 1.130 158 F CA -0.725 57.196 58.000 -0.131 0.000 0.936 158 F CB 2.247 41.038 39.000 -0.349 0.000 1.219 158 F HN 0.315 nan 8.300 nan 0.000 0.445 159 V N 2.898 122.874 119.914 0.104 0.000 2.530 159 V HA 0.222 4.318 4.120 -0.040 0.000 0.282 159 V C -0.206 175.936 176.094 0.081 0.000 1.048 159 V CA -0.385 61.947 62.300 0.053 0.000 0.997 159 V CB 1.251 33.062 31.823 -0.020 0.000 0.987 159 V HN 0.768 nan 8.190 nan 0.000 0.477 160 Q N 2.810 122.607 119.800 -0.005 0.000 2.413 160 Q HA 0.229 4.545 4.340 -0.040 0.000 0.258 160 Q C 0.032 175.980 176.000 -0.086 0.000 1.037 160 Q CA -0.634 55.129 55.803 -0.066 0.000 0.764 160 Q CB 1.164 29.841 28.738 -0.101 0.000 1.217 160 Q HN 0.778 nan 8.270 nan 0.000 0.490 161 D N 3.100 123.427 120.400 -0.121 0.000 2.178 161 D HA -0.049 4.567 4.640 -0.040 0.000 0.201 161 D C 0.102 176.504 176.300 0.169 0.000 0.980 161 D CA 1.349 55.352 54.000 0.005 0.000 0.842 161 D CB 0.090 40.954 40.800 0.107 0.000 0.948 161 D HN 0.437 nan 8.370 nan 0.000 0.472 162 F N -4.295 115.653 119.950 -0.002 0.000 2.713 162 F HA 0.367 4.866 4.527 -0.047 0.000 0.311 162 F C -2.233 173.564 175.800 -0.005 0.000 1.141 162 F CA -1.939 56.056 58.000 -0.009 0.000 0.939 162 F CB 0.508 39.496 39.000 -0.020 0.000 1.325 162 F HN -0.409 nan 8.300 nan 0.000 0.453 163 P HA -0.214 nan 4.420 nan 0.000 0.216 163 P C 0.463 177.768 177.300 0.009 0.000 1.157 163 P CA 2.018 65.158 63.100 0.067 0.000 0.880 163 P CB 0.187 31.948 31.700 0.102 0.000 0.791 164 E N -0.233 120.028 120.200 0.102 0.000 2.437 164 E HA 0.067 4.394 4.350 -0.040 0.000 0.189 164 E C 0.114 176.585 176.600 -0.214 0.000 1.054 164 E CA -0.009 56.408 56.400 0.029 0.000 0.874 164 E CB -0.565 29.232 29.700 0.161 0.000 1.011 164 E HN 0.360 nan 8.360 nan 0.000 0.474 165 D N 0.359 120.351 120.400 -0.679 0.000 2.304 165 D HA 0.017 4.633 4.640 -0.040 0.000 0.247 165 D C -0.459 175.613 176.300 -0.379 0.000 1.089 165 D CA -0.191 53.265 54.000 -0.907 0.000 0.910 165 D CB 1.016 40.919 40.800 -1.495 0.000 1.199 165 D HN -0.220 nan 8.370 nan 0.000 0.426 166 S N 2.431 117.989 115.700 -0.237 0.000 2.400 166 S HA 0.416 4.862 4.470 -0.040 0.000 0.295 166 S C 1.071 175.618 174.600 -0.087 0.000 1.113 166 S CA -0.216 57.930 58.200 -0.090 0.000 1.064 166 S CB 0.276 63.468 63.200 -0.013 0.000 0.990 166 S HN 0.518 nan 8.310 nan 0.000 0.502 167 A N 5.025 127.708 122.820 -0.229 0.000 2.019 167 A HA -0.027 4.270 4.320 -0.040 0.000 0.219 167 A C 1.423 178.894 177.584 -0.188 0.000 1.164 167 A CA 0.947 52.848 52.037 -0.227 0.000 0.644 167 A CB -0.753 18.012 19.000 -0.392 0.000 0.805 167 A HN 0.994 nan 8.150 nan 0.000 0.449 168 W N -0.146 121.142 121.300 -0.021 0.000 2.421 168 W HA 0.010 4.651 4.660 -0.032 0.000 0.270 168 W C 2.399 179.033 176.519 0.192 0.000 1.233 168 W CA 0.775 58.117 57.345 -0.005 0.000 1.226 168 W CB -0.193 29.251 29.460 -0.027 0.000 1.121 168 W HN 0.367 nan 8.180 nan 0.000 0.579 169 A N -0.450 122.539 122.820 0.281 0.000 2.119 169 A HA -0.089 4.207 4.320 -0.040 0.000 0.217 169 A C 0.263 177.672 177.584 -0.291 0.000 1.153 169 A CA 0.904 52.964 52.037 0.039 0.000 0.692 169 A CB -0.873 18.054 19.000 -0.122 0.000 0.799 169 A HN 0.498 nan 8.150 nan 0.000 0.458 170 H N -0.277 118.910 119.070 0.196 0.000 2.355 170 H HA 0.253 4.798 4.556 -0.018 0.000 0.232 170 H C -2.766 172.579 175.328 0.029 0.000 1.422 170 H CA -2.041 54.063 56.048 0.093 0.000 1.261 170 H CB 0.375 30.172 29.762 0.059 0.000 1.595 170 H HN 0.302 nan 8.280 nan 0.000 0.529 171 P HA -0.013 nan 4.420 nan 0.000 0.271 171 P C -0.007 177.123 177.300 -0.282 0.000 1.218 171 P CA -0.173 62.718 63.100 -0.347 0.000 0.780 171 P CB 2.124 33.682 31.700 -0.237 0.000 0.901 172 V N 3.579 123.251 119.914 -0.403 0.000 2.259 172 V HA 0.148 4.244 4.120 -0.040 0.000 0.267 172 V C 0.711 176.661 176.094 -0.240 0.000 1.051 172 V CA -0.286 61.870 62.300 -0.241 0.000 0.830 172 V CB 0.321 32.007 31.823 -0.228 0.000 1.080 172 V HN 0.542 nan 8.190 nan 0.000 0.467 173 D N 3.046 123.309 120.400 -0.229 0.000 2.398 173 D HA 0.373 4.989 4.640 -0.040 0.000 0.247 173 D C 1.369 177.568 176.300 -0.169 0.000 1.227 173 D CA 1.335 55.114 54.000 -0.370 0.000 0.980 173 D CB 1.675 41.974 40.800 -0.835 0.000 1.106 173 D HN 0.727 nan 8.370 nan 0.000 0.493 174 G N -0.183 108.495 108.800 -0.203 0.000 2.189 174 G HA2 -0.233 3.704 3.960 -0.040 0.000 0.267 174 G HA3 -0.233 3.704 3.960 -0.040 0.000 0.267 174 G C -0.022 174.929 174.900 0.085 0.000 0.975 174 G CA 0.765 45.965 45.100 0.166 0.000 0.644 174 G HN 0.490 nan 8.290 nan 0.000 0.537 175 L N -0.212 121.023 121.223 0.021 0.000 2.436 175 L HA 0.908 5.225 4.340 -0.040 0.000 0.268 175 L C -0.768 176.182 176.870 0.133 0.000 0.974 175 L CA -1.049 53.809 54.840 0.030 0.000 0.826 175 L CB 2.441 44.440 42.059 -0.099 0.000 1.291 175 L HN 0.589 nan 8.230 nan 0.000 0.406 176 V N 4.069 124.091 119.914 0.180 0.000 2.969 176 V HA 0.966 5.062 4.120 -0.040 0.000 0.304 176 V C -1.177 174.963 176.094 0.077 0.000 1.192 176 V CA 0.305 62.739 62.300 0.224 0.000 0.962 176 V CB 2.037 34.022 31.823 0.270 0.000 1.045 176 V HN 1.181 nan 8.190 nan 0.000 0.428 177 A N 5.195 128.041 122.820 0.043 0.000 2.380 177 A HA 0.974 5.270 4.320 -0.040 0.000 0.315 177 A C -1.967 175.566 177.584 -0.085 0.000 1.101 177 A CA -0.467 51.467 52.037 -0.173 0.000 0.771 177 A CB 1.624 20.423 19.000 -0.335 0.000 1.287 177 A HN 0.839 nan 8.150 nan 0.000 0.436 178 Y N 0.244 120.405 120.300 -0.233 0.000 2.364 178 Y HA 0.607 5.135 4.550 -0.038 0.000 0.340 178 Y C -0.206 175.573 175.900 -0.203 0.000 0.975 178 Y CA -1.664 56.280 58.100 -0.261 0.000 1.089 178 Y CB 1.753 40.019 38.460 -0.323 0.000 1.192 178 Y HN 0.355 nan 8.280 nan 0.000 0.454 179 V N 3.101 123.007 119.914 -0.013 0.000 2.588 179 V HA 0.248 4.344 4.120 -0.040 0.000 0.304 179 V C -0.672 175.403 176.094 -0.032 0.000 1.042 179 V CA -1.041 61.231 62.300 -0.047 0.000 0.877 179 V CB 2.206 33.982 31.823 -0.078 0.000 0.996 179 V HN 0.688 nan 8.190 nan 0.000 0.425 180 D N 3.477 123.862 120.400 -0.026 0.000 2.380 180 D HA 0.142 4.758 4.640 -0.040 0.000 0.230 180 D C 1.004 177.300 176.300 -0.007 0.000 1.154 180 D CA -0.229 53.762 54.000 -0.016 0.000 0.859 180 D CB 1.929 42.721 40.800 -0.012 0.000 1.045 180 D HN 0.445 nan 8.370 nan 0.000 0.495 181 V N 2.280 122.194 119.914 0.001 0.000 3.305 181 V HA -0.061 4.035 4.120 -0.040 0.000 0.269 181 V C 1.564 177.681 176.094 0.038 0.000 1.157 181 V CA 0.480 62.789 62.300 0.015 0.000 1.157 181 V CB -0.282 31.552 31.823 0.018 0.000 0.772 181 V HN 0.377 nan 8.190 nan 0.000 0.498 182 V N 1.404 121.342 119.914 0.041 0.000 2.436 182 V HA -0.048 4.048 4.120 -0.040 0.000 0.240 182 V C 2.786 178.896 176.094 0.027 0.000 1.040 182 V CA 1.803 64.137 62.300 0.057 0.000 1.052 182 V CB 0.054 31.917 31.823 0.068 0.000 0.707 182 V HN 0.716 nan 8.190 nan 0.000 0.469 183 S N -0.801 114.907 115.700 0.014 0.000 2.522 183 S HA -0.046 4.400 4.470 -0.040 0.000 0.227 183 S C 0.986 175.588 174.600 0.003 0.000 0.986 183 S CA 0.434 58.637 58.200 0.005 0.000 0.929 183 S CB -0.385 62.815 63.200 -0.000 0.000 0.769 183 S HN 0.563 nan 8.310 nan 0.000 0.529 184 K N 0.865 121.267 120.400 0.003 0.000 3.125 184 K HA -0.143 4.154 4.320 -0.040 0.000 0.268 184 K C -1.042 175.549 176.600 -0.014 0.000 1.078 184 K CA 0.877 57.162 56.287 -0.003 0.000 0.775 184 K CB -1.654 30.848 32.500 0.003 0.000 1.253 184 K HN 0.695 nan 8.250 nan 0.000 0.486 185 E N 0.185 120.374 120.200 -0.018 0.000 2.183 185 E HA 0.299 4.626 4.350 -0.040 0.000 0.271 185 E C -0.352 176.225 176.600 -0.038 0.000 0.919 185 E CA -0.929 55.456 56.400 -0.024 0.000 0.781 185 E CB 2.151 31.841 29.700 -0.017 0.000 1.140 185 E HN -0.076 nan 8.360 nan 0.000 0.402 186 V N 3.437 123.321 119.914 -0.050 0.000 2.370 186 V HA -0.038 4.058 4.120 -0.040 0.000 0.257 186 V C 1.522 177.581 176.094 -0.058 0.000 1.064 186 V CA 0.385 62.640 62.300 -0.074 0.000 0.975 186 V CB 0.171 31.936 31.823 -0.095 0.000 1.067 186 V HN 0.922 nan 8.190 nan 0.000 0.485 187 T N 2.507 117.033 114.554 -0.047 0.000 2.962 187 T HA 0.021 4.347 4.350 -0.040 0.000 0.270 187 T C 0.812 175.467 174.700 -0.075 0.000 1.088 187 T CA 0.665 62.741 62.100 -0.039 0.000 1.127 187 T CB 0.323 69.183 68.868 -0.014 0.000 0.883 187 T HN 0.521 nan 8.240 nan 0.000 0.493 188 R N -0.974 119.444 120.500 -0.136 0.000 2.687 188 R HA 0.563 4.879 4.340 -0.040 0.000 0.265 188 R C -2.487 173.639 176.300 -0.290 0.000 1.048 188 R CA -0.628 55.327 56.100 -0.242 0.000 0.884 188 R CB 2.219 32.278 30.300 -0.402 0.000 1.258 188 R HN 0.085 nan 8.270 nan 0.000 0.469 189 V N 4.638 124.429 119.914 -0.205 0.000 2.569 189 V HA 0.500 4.596 4.120 -0.040 0.000 0.301 189 V C -0.491 175.535 176.094 -0.113 0.000 1.044 189 V CA -0.583 61.660 62.300 -0.095 0.000 0.874 189 V CB 1.837 33.704 31.823 0.073 0.000 1.002 189 V HN 0.557 nan 8.190 nan 0.000 0.424 190 I N 4.005 124.498 120.570 -0.128 0.000 2.378 190 I HA 0.507 4.654 4.170 -0.040 0.000 0.291 190 I C -0.866 175.247 176.117 -0.006 0.000 0.992 190 I CA -0.227 61.024 61.300 -0.082 0.000 1.154 190 I CB 1.900 39.830 38.000 -0.117 0.000 1.315 190 I HN 0.520 nan 8.210 nan 0.000 0.448 191 D N 4.570 124.971 120.400 0.002 0.000 2.421 191 D HA 0.157 4.773 4.640 -0.040 0.000 0.254 191 D C 0.819 177.137 176.300 0.030 0.000 1.238 191 D CA -0.268 53.739 54.000 0.011 0.000 0.919 191 D CB 1.637 42.427 40.800 -0.018 0.000 1.152 191 D HN 0.659 nan 8.370 nan 0.000 0.552 192 T N 0.197 114.793 114.554 0.070 0.000 3.067 192 T HA 0.417 4.743 4.350 -0.040 0.000 0.261 192 T C 1.003 175.746 174.700 0.072 0.000 1.110 192 T CA 0.421 62.572 62.100 0.085 0.000 1.113 192 T CB 0.456 69.404 68.868 0.134 0.000 0.917 192 T HN 0.524 nan 8.240 nan 0.000 0.499 193 G N -0.030 108.817 108.800 0.079 0.000 2.352 193 G HA2 0.373 4.310 3.960 -0.040 0.000 0.305 193 G HA3 0.373 4.310 3.960 -0.040 0.000 0.305 193 G C -1.533 173.382 174.900 0.024 0.000 1.537 193 G CA -0.779 44.314 45.100 -0.011 0.000 0.959 193 G HN 0.217 nan 8.290 nan 0.000 0.668 194 V N 0.630 120.496 119.914 -0.080 0.000 2.583 194 V HA 0.654 4.751 4.120 -0.040 0.000 0.287 194 V C -0.349 175.670 176.094 -0.123 0.000 1.051 194 V CA 0.106 62.386 62.300 -0.033 0.000 1.010 194 V CB 0.819 32.603 31.823 -0.064 0.000 0.988 194 V HN 0.520 nan 8.190 nan 0.000 0.478 195 F N 4.204 124.117 119.950 -0.061 0.000 2.551 195 F HA 0.562 5.058 4.527 -0.052 0.000 0.316 195 F C -2.045 173.727 175.800 -0.047 0.000 1.089 195 F CA -2.429 55.540 58.000 -0.051 0.000 0.915 195 F CB 1.730 40.698 39.000 -0.053 0.000 1.186 195 F HN 0.335 nan 8.300 nan 0.000 0.456 196 P HA 0.108 nan 4.420 nan 0.000 0.266 196 P C -0.892 176.460 177.300 0.088 0.000 1.195 196 P CA -0.145 63.001 63.100 0.076 0.000 0.768 196 P CB 0.557 32.294 31.700 0.063 0.000 0.838 197 V N 6.353 126.298 119.914 0.052 0.000 2.385 197 V HA 0.181 4.277 4.120 -0.040 0.000 0.269 197 V C -1.874 174.271 176.094 0.086 0.000 1.043 197 V CA -1.587 60.742 62.300 0.049 0.000 0.906 197 V CB 0.596 32.427 31.823 0.013 0.000 0.995 197 V HN 0.581 nan 8.190 nan 0.000 0.467 198 P HA 0.002 nan 4.420 nan 0.000 0.260 198 P C 0.465 177.915 177.300 0.251 0.000 1.172 198 P CA 0.425 63.599 63.100 0.124 0.000 0.760 198 P CB 0.772 32.506 31.700 0.056 0.000 0.773 199 A N 3.756 126.690 122.820 0.190 0.000 1.943 199 A HA -0.024 4.273 4.320 -0.040 0.000 0.213 199 A C 0.786 178.554 177.584 0.306 0.000 1.181 199 A CA 0.536 52.700 52.037 0.211 0.000 0.653 199 A CB -0.470 18.600 19.000 0.117 0.000 0.833 199 A HN 0.565 nan 8.150 nan 0.000 0.451 200 E N 0.703 121.038 120.200 0.226 0.000 2.442 200 E HA 0.199 4.525 4.350 -0.040 0.000 0.262 200 E C -0.239 176.538 176.600 0.294 0.000 1.004 200 E CA 0.119 56.644 56.400 0.208 0.000 0.928 200 E CB 0.269 30.042 29.700 0.121 0.000 0.937 200 E HN 0.784 nan 8.360 nan 0.000 0.446 201 H N -0.625 118.612 119.070 0.278 0.000 2.508 201 H HA 0.485 5.015 4.556 -0.044 0.000 0.358 201 H C 0.424 175.869 175.328 0.195 0.000 1.212 201 H CA -0.822 55.361 56.048 0.225 0.000 1.356 201 H CB 1.076 30.978 29.762 0.235 0.000 1.525 201 H HN 0.482 nan 8.280 nan 0.000 0.578 202 G N 1.317 110.256 108.800 0.231 0.000 4.828 202 G HA2 0.069 4.005 3.960 -0.040 0.000 0.294 202 G HA3 0.069 4.005 3.960 -0.040 0.000 0.294 202 G C -0.728 174.137 174.900 -0.058 0.000 1.288 202 G CA -0.690 44.405 45.100 -0.008 0.000 0.987 202 G HN 0.621 nan 8.290 nan 0.000 0.587 203 N N 1.726 120.564 118.700 0.230 0.000 2.719 203 N HA 0.116 4.833 4.740 -0.040 0.000 0.243 203 N C 0.885 176.322 175.510 -0.121 0.000 1.104 203 N CA -0.540 52.461 53.050 -0.081 0.000 0.981 203 N CB 0.557 39.042 38.487 -0.004 0.000 1.290 203 N HN 0.564 nan 8.380 nan 0.000 0.513 204 Y N -0.449 119.846 120.300 -0.008 0.000 2.716 204 Y HA -0.064 4.463 4.550 -0.038 0.000 0.302 204 Y C 1.589 177.487 175.900 -0.003 0.000 1.160 204 Y CA 0.410 58.486 58.100 -0.041 0.000 1.362 204 Y CB -0.860 37.532 38.460 -0.113 0.000 0.988 204 Y HN 0.251 nan 8.280 nan 0.000 0.546 205 T N -4.284 110.248 114.554 -0.037 0.000 3.044 205 T HA 0.072 4.398 4.350 -0.040 0.000 0.260 205 T C 0.048 174.761 174.700 0.021 0.000 1.019 205 T CA -0.187 61.929 62.100 0.027 0.000 0.921 205 T CB -0.082 68.790 68.868 0.007 0.000 1.053 205 T HN 0.205 nan 8.240 nan 0.000 0.533 206 D N 3.571 123.989 120.400 0.030 0.000 2.336 206 D HA 0.195 4.812 4.640 -0.040 0.000 0.249 206 D C -1.187 175.157 176.300 0.074 0.000 1.213 206 D CA -2.452 51.578 54.000 0.049 0.000 0.870 206 D CB 1.870 42.714 40.800 0.073 0.000 1.076 206 D HN 0.037 nan 8.370 nan 0.000 0.483 207 P HA -0.188 nan 4.420 nan 0.000 0.221 207 P C 0.912 178.247 177.300 0.059 0.000 1.145 207 P CA 0.955 64.083 63.100 0.046 0.000 0.795 207 P CB 0.151 31.868 31.700 0.029 0.000 0.775 208 E N -0.608 119.639 120.200 0.079 0.000 2.274 208 E HA -0.131 4.195 4.350 -0.040 0.000 0.194 208 E C 1.895 178.560 176.600 0.109 0.000 0.996 208 E CA 0.466 56.922 56.400 0.094 0.000 0.840 208 E CB -0.645 29.126 29.700 0.118 0.000 0.772 208 E HN 0.157 nan 8.360 nan 0.000 0.491 209 L N 1.442 122.744 121.223 0.132 0.000 2.286 209 L HA 0.030 4.346 4.340 -0.040 0.000 0.203 209 L C 2.466 179.373 176.870 0.061 0.000 1.068 209 L CA 2.004 56.900 54.840 0.093 0.000 0.811 209 L CB -0.364 41.768 42.059 0.121 0.000 0.989 209 L HN 0.333 nan 8.230 nan 0.000 0.467 210 T N -2.290 112.304 114.554 0.066 0.000 2.737 210 T HA 0.342 4.668 4.350 -0.040 0.000 0.265 210 T C 1.212 175.934 174.700 0.037 0.000 1.038 210 T CA 0.717 62.846 62.100 0.048 0.000 1.144 210 T CB -0.910 67.989 68.868 0.051 0.000 0.866 210 T HN 0.805 nan 8.240 nan 0.000 0.434 211 G N 1.617 110.440 108.800 0.039 0.000 2.660 211 G HA2 0.053 3.989 3.960 -0.040 0.000 0.247 211 G HA3 0.053 3.989 3.960 -0.040 0.000 0.247 211 G C -2.999 171.916 174.900 0.026 0.000 1.328 211 G CA -0.745 44.374 45.100 0.031 0.000 0.884 211 G HN 0.554 nan 8.290 nan 0.000 0.531 212 P HA 0.407 nan 4.420 nan 0.000 0.267 212 P C 0.553 177.862 177.300 0.016 0.000 1.205 212 P CA -0.275 62.835 63.100 0.017 0.000 0.765 212 P CB 0.401 32.110 31.700 0.014 0.000 0.828 213 L N 3.533 124.765 121.223 0.016 0.000 2.467 213 L HA 0.177 4.493 4.340 -0.040 0.000 0.270 213 L C 1.323 178.199 176.870 0.010 0.000 1.205 213 L CA -0.254 54.594 54.840 0.014 0.000 0.828 213 L CB 0.139 42.206 42.059 0.015 0.000 1.101 213 L HN 0.347 nan 8.230 nan 0.000 0.479 214 R N 0.447 120.952 120.500 0.008 0.000 2.590 214 R HA 0.083 4.399 4.340 -0.040 0.000 0.274 214 R C 0.638 176.941 176.300 0.005 0.000 1.061 214 R CA 0.296 56.400 56.100 0.006 0.000 1.081 214 R CB 0.283 30.586 30.300 0.004 0.000 0.984 214 R HN 0.714 nan 8.270 nan 0.000 0.448 215 T N -3.730 110.827 114.554 0.005 0.000 3.132 215 T HA 0.000 4.327 4.350 -0.040 0.000 0.274 215 T C 1.260 175.962 174.700 0.003 0.000 1.011 215 T CA -0.017 62.085 62.100 0.004 0.000 0.899 215 T CB 0.337 69.208 68.868 0.005 0.000 1.089 215 T HN 0.680 nan 8.240 nan 0.000 0.543 216 T N -0.596 113.959 114.554 0.002 0.000 3.067 216 T HA 0.137 4.463 4.350 -0.040 0.000 0.257 216 T C 0.762 175.462 174.700 0.000 0.000 1.105 216 T CA -0.074 62.026 62.100 0.001 0.000 1.104 216 T CB -0.354 68.514 68.868 0.000 0.000 0.925 216 T HN 0.419 nan 8.240 nan 0.000 0.498 217 Q N 1.862 121.663 119.800 0.001 0.000 2.307 217 Q HA 0.351 4.668 4.340 -0.040 0.000 0.261 217 Q C -0.718 175.283 176.000 0.001 0.000 1.051 217 Q CA -0.235 55.569 55.803 0.000 0.000 0.911 217 Q CB 0.758 29.496 28.738 -0.000 0.000 1.227 217 Q HN 0.154 nan 8.270 nan 0.000 0.418 218 K N 2.802 123.203 120.400 0.001 0.000 2.098 218 K HA 0.346 4.642 4.320 -0.040 0.000 0.257 218 K C -2.227 174.375 176.600 0.003 0.000 0.999 218 K CA -1.613 54.675 56.287 0.002 0.000 0.924 218 K CB 0.135 32.636 32.500 0.001 0.000 1.028 218 K HN 0.329 nan 8.250 nan 0.000 0.466 219 P HA 0.229 nan 4.420 nan 0.000 0.271 219 P C -0.788 176.516 177.300 0.008 0.000 1.218 219 P CA -0.065 63.039 63.100 0.007 0.000 0.780 219 P CB 0.472 32.177 31.700 0.008 0.000 0.901 220 I N 1.156 121.731 120.570 0.010 0.000 2.448 220 I HA 0.159 4.305 4.170 -0.040 0.000 0.281 220 I C -0.419 175.708 176.117 0.017 0.000 1.027 220 I CA -0.413 60.894 61.300 0.012 0.000 1.111 220 I CB 1.528 39.536 38.000 0.013 0.000 1.236 220 I HN 0.196 nan 8.210 nan 0.000 0.452 221 S N 7.324 123.035 115.700 0.018 0.000 2.438 221 S HA 0.573 5.019 4.470 -0.040 0.000 0.293 221 S C -0.165 174.452 174.600 0.028 0.000 1.141 221 S CA -0.470 57.743 58.200 0.021 0.000 1.080 221 S CB 0.983 64.195 63.200 0.019 0.000 0.978 221 S HN 0.379 nan 8.310 nan 0.000 0.479 222 I N 3.005 123.594 120.570 0.033 0.000 2.355 222 I HA 0.402 4.548 4.170 -0.040 0.000 0.288 222 I C 0.266 176.410 176.117 0.045 0.000 0.999 222 I CA -0.103 61.225 61.300 0.046 0.000 1.163 222 I CB 1.695 39.729 38.000 0.057 0.000 1.316 222 I HN 0.501 nan 8.210 nan 0.000 0.454 223 T N 5.180 119.763 114.554 0.047 0.000 2.896 223 T HA 0.418 4.745 4.350 -0.040 0.000 0.297 223 T C -1.205 173.525 174.700 0.050 0.000 1.108 223 T CA -0.482 61.644 62.100 0.043 0.000 1.004 223 T CB 1.838 70.725 68.868 0.032 0.000 1.159 223 T HN 0.568 nan 8.240 nan 0.000 0.499 224 Q N 3.021 122.849 119.800 0.046 0.000 2.558 224 Q HA 0.259 4.575 4.340 -0.040 0.000 0.252 224 Q C -1.747 174.271 176.000 0.029 0.000 1.015 224 Q CA -1.889 53.941 55.803 0.045 0.000 0.720 224 Q CB 1.908 30.678 28.738 0.054 0.000 1.215 224 Q HN 0.539 nan 8.270 nan 0.000 0.500 225 P HA -0.189 nan 4.420 nan 0.000 0.220 225 P C 0.134 177.442 177.300 0.013 0.000 1.144 225 P CA 1.346 64.457 63.100 0.019 0.000 0.800 225 P CB 0.502 32.213 31.700 0.019 0.000 0.772 226 E N -0.842 119.366 120.200 0.013 0.000 2.538 226 E HA 0.376 4.702 4.350 -0.040 0.000 0.207 226 E C 0.777 177.372 176.600 -0.007 0.000 1.002 226 E CA 0.024 56.426 56.400 0.005 0.000 0.952 226 E CB 0.482 30.186 29.700 0.008 0.000 1.031 226 E HN 0.207 nan 8.360 nan 0.000 0.476 227 G N 2.771 111.565 108.800 -0.009 0.000 2.710 227 G HA2 -0.173 3.763 3.960 -0.040 0.000 0.668 227 G HA3 -0.173 3.763 3.960 -0.040 0.000 0.668 227 G C -2.815 172.054 174.900 -0.053 0.000 1.320 227 G CA -0.919 44.158 45.100 -0.040 0.000 0.860 227 G HN -0.025 nan 8.290 nan 0.000 0.538 228 P HA 0.385 nan 4.420 nan 0.000 0.276 228 P C 0.551 177.762 177.300 -0.149 0.000 1.252 228 P CA 0.034 63.014 63.100 -0.200 0.000 0.802 228 P CB 1.362 32.640 31.700 -0.703 0.000 1.035 229 S N 0.005 115.757 115.700 0.087 0.000 2.558 229 S HA 0.127 4.574 4.470 -0.040 0.000 0.217 229 S C 0.688 175.468 174.600 0.300 0.000 0.975 229 S CA 0.030 58.340 58.200 0.183 0.000 0.912 229 S CB -0.770 62.588 63.200 0.263 0.000 0.776 229 S HN 0.563 nan 8.310 nan 0.000 0.526 230 F N 2.020 122.181 119.950 0.352 0.000 2.403 230 F HA 0.751 5.254 4.527 -0.039 0.000 0.326 230 F C 0.148 176.047 175.800 0.165 0.000 1.081 230 F CA -1.073 57.118 58.000 0.317 0.000 1.041 230 F CB 0.412 39.563 39.000 0.251 0.000 1.234 230 F HN -0.135 nan 8.300 nan 0.000 0.503 231 T N -0.191 114.548 114.554 0.308 0.000 2.863 231 T HA 0.729 5.055 4.350 -0.040 0.000 0.285 231 T C -1.137 173.723 174.700 0.268 0.000 1.009 231 T CA -0.804 61.406 62.100 0.183 0.000 0.989 231 T CB 1.441 70.394 68.868 0.141 0.000 1.004 231 T HN 0.675 nan 8.240 nan 0.000 0.455 232 V N 3.488 123.531 119.914 0.215 0.000 2.378 232 V HA 0.710 4.806 4.120 -0.040 0.000 0.288 232 V C 0.394 176.588 176.094 0.165 0.000 1.016 232 V CA -0.669 61.756 62.300 0.209 0.000 0.840 232 V CB 1.143 33.090 31.823 0.207 0.000 0.994 232 V HN 1.275 nan 8.190 nan 0.000 0.431 233 T N 0.058 114.727 114.554 0.192 0.000 2.916 233 T HA 0.685 5.011 4.350 -0.040 0.000 0.292 233 T C 0.763 175.553 174.700 0.150 0.000 1.055 233 T CA -0.094 62.096 62.100 0.150 0.000 1.009 233 T CB 1.764 70.713 68.868 0.134 0.000 1.118 233 T HN 1.750 nan 8.240 nan 0.000 0.497 234 G N -0.048 108.811 108.800 0.098 0.000 2.225 234 G HA2 0.119 4.055 3.960 -0.040 0.000 0.267 234 G HA3 0.119 4.055 3.960 -0.040 0.000 0.267 234 G C 1.329 176.289 174.900 0.100 0.000 1.024 234 G CA 0.938 46.090 45.100 0.087 0.000 0.784 234 G HN 2.387 nan 8.290 nan 0.000 0.507 235 G N -0.047 108.811 108.800 0.097 0.000 2.609 235 G HA2 -0.308 3.628 3.960 -0.040 0.000 0.235 235 G HA3 -0.308 3.628 3.960 -0.040 0.000 0.235 235 G C 0.925 175.886 174.900 0.102 0.000 1.177 235 G CA 1.298 46.452 45.100 0.090 0.000 0.707 235 G HN 2.224 nan 8.290 nan 0.000 0.513 236 N N -0.322 118.451 118.700 0.121 0.000 2.307 236 N HA 0.126 4.843 4.740 -0.040 0.000 0.248 236 N C -0.299 175.283 175.510 0.121 0.000 1.322 236 N CA 0.067 53.182 53.050 0.109 0.000 0.861 236 N CB -0.338 38.209 38.487 0.100 0.000 1.303 236 N HN 0.606 nan 8.380 nan 0.000 0.498 237 H N 1.476 120.592 119.070 0.076 0.000 2.552 237 H HA 0.332 4.864 4.556 -0.039 0.000 0.311 237 H C -0.791 174.592 175.328 0.093 0.000 1.071 237 H CA -0.311 55.780 56.048 0.072 0.000 1.307 237 H CB 1.020 30.825 29.762 0.071 0.000 1.416 237 H HN -0.026 nan 8.280 nan 0.000 0.464 238 I N 4.579 124.921 120.570 -0.379 0.000 2.412 238 I HA 0.231 4.377 4.170 -0.040 0.000 0.296 238 I C 0.176 176.210 176.117 -0.138 0.000 0.987 238 I CA -0.577 60.642 61.300 -0.136 0.000 1.180 238 I CB 1.629 39.558 38.000 -0.119 0.000 1.340 238 I HN 0.571 nan 8.210 nan 0.000 0.455 239 E N 5.272 125.551 120.200 0.133 0.000 2.244 239 E HA 0.320 4.646 4.350 -0.040 0.000 0.260 239 E C -1.776 175.036 176.600 0.352 0.000 0.884 239 E CA -0.496 56.026 56.400 0.203 0.000 0.777 239 E CB 2.837 32.662 29.700 0.207 0.000 1.197 239 E HN 0.604 nan 8.360 nan 0.000 0.416 240 W N 3.708 125.095 121.300 0.144 0.000 3.326 240 W HA 0.137 4.774 4.660 -0.039 0.000 0.333 240 W C -0.509 176.125 176.519 0.193 0.000 1.108 240 W CA -0.406 57.050 57.345 0.184 0.000 1.245 240 W CB 0.931 30.501 29.460 0.184 0.000 1.331 240 W HN 0.333 nan 8.180 nan 0.000 0.464 241 E N 5.742 125.618 120.200 -0.539 0.000 2.149 241 E HA -0.324 4.002 4.350 -0.040 0.000 0.191 241 E C 0.553 176.869 176.600 -0.473 0.000 1.384 241 E CA 1.889 57.902 56.400 -0.645 0.000 0.698 241 E CB -1.018 27.917 29.700 -1.275 0.000 1.086 241 E HN 0.897 nan 8.360 nan 0.000 0.338 242 K N -3.770 116.376 120.400 -0.423 0.000 3.609 242 K HA -0.246 4.050 4.320 -0.040 0.000 0.277 242 K C 0.153 176.334 176.600 -0.699 0.000 1.196 242 K CA 1.772 57.631 56.287 -0.713 0.000 1.022 242 K CB -1.359 30.366 32.500 -1.291 0.000 1.292 242 K HN 0.278 nan 8.250 nan 0.000 0.484 243 W N 1.532 122.667 121.300 -0.275 0.000 2.237 243 W HA 0.465 5.101 4.660 -0.039 0.000 0.335 243 W C 0.613 177.132 176.519 0.000 0.000 1.230 243 W CA -0.155 57.172 57.345 -0.030 0.000 1.253 243 W CB 1.476 31.059 29.460 0.205 0.000 1.129 243 W HN -0.009 nan 8.180 nan 0.000 0.590 244 S N 3.713 119.589 115.700 0.294 0.000 2.572 244 S HA 0.810 5.257 4.470 -0.040 0.000 0.274 244 S C -1.161 173.462 174.600 0.039 0.000 1.150 244 S CA -0.736 57.532 58.200 0.113 0.000 0.944 244 S CB 0.142 63.439 63.200 0.162 0.000 1.071 244 S HN 0.582 nan 8.310 nan 0.000 0.479 245 L N 1.075 122.180 121.223 -0.196 0.000 2.940 245 L HA 0.765 5.082 4.340 -0.040 0.000 0.270 245 L C -2.110 174.605 176.870 -0.258 0.000 1.030 245 L CA -1.045 53.692 54.840 -0.171 0.000 0.928 245 L CB 1.696 43.672 42.059 -0.139 0.000 1.506 245 L HN 0.409 nan 8.230 nan 0.000 0.405 246 D N 1.398 121.729 120.400 -0.114 0.000 2.502 246 D HA 0.462 5.078 4.640 -0.040 0.000 0.249 246 D C -0.821 175.491 176.300 0.020 0.000 1.092 246 D CA -0.263 53.736 54.000 -0.002 0.000 0.839 246 D CB 3.205 44.058 40.800 0.089 0.000 1.264 246 D HN 0.379 nan 8.370 nan 0.000 0.511 247 V N 2.214 122.138 119.914 0.016 0.000 2.353 247 V HA 0.458 4.554 4.120 -0.040 0.000 0.264 247 V C 1.015 177.172 176.094 0.103 0.000 1.049 247 V CA -0.386 61.917 62.300 0.005 0.000 0.896 247 V CB 0.950 32.760 31.823 -0.023 0.000 1.025 247 V HN 0.585 nan 8.190 nan 0.000 0.475 248 G N 3.109 111.997 108.800 0.148 0.000 2.511 248 G HA2 0.699 4.635 3.960 -0.040 0.000 0.316 248 G HA3 0.699 4.635 3.960 -0.040 0.000 0.316 248 G C -1.479 173.516 174.900 0.159 0.000 1.210 248 G CA -0.476 44.750 45.100 0.211 0.000 0.969 248 G HN 0.496 nan 8.290 nan 0.000 0.492 249 F N 0.001 119.937 119.950 -0.024 0.000 2.588 249 F HA 0.471 4.974 4.527 -0.040 0.000 0.318 249 F C -1.434 174.315 175.800 -0.084 0.000 1.155 249 F CA -0.897 57.040 58.000 -0.104 0.000 0.967 249 F CB 2.445 41.370 39.000 -0.125 0.000 1.236 249 F HN 0.529 nan 8.300 nan 0.000 0.455 250 D N 3.887 123.918 120.400 -0.616 0.000 2.481 250 D HA 0.309 4.925 4.640 -0.040 0.000 0.244 250 D C 0.284 176.251 176.300 -0.556 0.000 1.057 250 D CA -0.568 53.215 54.000 -0.361 0.000 0.848 250 D CB 2.434 43.136 40.800 -0.163 0.000 1.388 250 D HN 0.371 nan 8.370 nan 0.000 0.475 251 V N 4.331 124.094 119.914 -0.252 0.000 2.568 251 V HA -0.150 3.946 4.120 -0.040 0.000 0.253 251 V C 2.058 178.072 176.094 -0.133 0.000 1.072 251 V CA 2.187 64.379 62.300 -0.180 0.000 1.084 251 V CB -0.391 31.359 31.823 -0.121 0.000 0.676 251 V HN 0.641 nan 8.190 nan 0.000 0.469 252 R N -0.576 119.911 120.500 -0.022 0.000 2.057 252 R HA -0.040 4.276 4.340 -0.040 0.000 0.224 252 R C 2.207 178.452 176.300 -0.092 0.000 1.136 252 R CA 1.621 57.704 56.100 -0.029 0.000 0.968 252 R CB -0.174 30.084 30.300 -0.070 0.000 0.863 252 R HN 0.587 nan 8.270 nan 0.000 0.433 253 E N -0.603 119.525 120.200 -0.119 0.000 2.318 253 E HA 0.136 4.463 4.350 -0.040 0.000 0.193 253 E C 0.709 177.160 176.600 -0.247 0.000 0.998 253 E CA 0.379 56.724 56.400 -0.092 0.000 0.859 253 E CB 0.563 30.254 29.700 -0.015 0.000 0.812 253 E HN 0.563 nan 8.360 nan 0.000 0.492 254 G N 0.764 109.171 108.800 -0.655 0.000 2.488 254 G HA2 -0.290 3.646 3.960 -0.040 0.000 0.237 254 G HA3 -0.290 3.646 3.960 -0.040 0.000 0.237 254 G C -0.152 174.112 174.900 -1.059 0.000 1.209 254 G CA -0.371 43.970 45.100 -1.266 0.000 0.929 254 G HN 0.097 nan 8.290 nan 0.000 0.578 255 V N 0.757 120.221 119.914 -0.750 0.000 2.540 255 V HA 0.406 4.503 4.120 -0.040 0.000 0.297 255 V C 0.837 176.878 176.094 -0.089 0.000 1.024 255 V CA 0.232 62.447 62.300 -0.140 0.000 1.105 255 V CB 0.887 32.831 31.823 0.202 0.000 0.938 255 V HN 0.858 nan 8.190 nan 0.000 0.482 256 V N 6.738 126.538 119.914 -0.191 0.000 2.680 256 V HA 0.491 4.587 4.120 -0.040 0.000 0.309 256 V C -0.194 175.602 176.094 -0.497 0.000 1.052 256 V CA -0.680 61.413 62.300 -0.345 0.000 0.908 256 V CB 2.038 33.667 31.823 -0.323 0.000 1.001 256 V HN 0.605 nan 8.190 nan 0.000 0.431 257 L N 4.877 125.678 121.223 -0.703 0.000 2.296 257 L HA 0.623 4.939 4.340 -0.040 0.000 0.286 257 L C -0.537 175.952 176.870 -0.635 0.000 1.023 257 L CA -0.562 53.896 54.840 -0.637 0.000 0.812 257 L CB 1.140 42.737 42.059 -0.770 0.000 1.223 257 L HN 0.625 nan 8.230 nan 0.000 0.421 258 H N 3.694 122.607 119.070 -0.262 0.000 2.569 258 H HA 0.288 4.820 4.556 -0.040 0.000 0.357 258 H C -0.216 174.915 175.328 -0.329 0.000 1.153 258 H CA -0.740 55.132 56.048 -0.294 0.000 1.193 258 H CB 1.920 31.473 29.762 -0.349 0.000 1.602 258 H HN 0.551 nan 8.280 nan 0.000 0.523 259 N N 1.352 119.924 118.700 -0.213 0.000 2.714 259 N HA -0.195 4.521 4.740 -0.040 0.000 0.253 259 N C -0.378 175.073 175.510 -0.099 0.000 1.024 259 N CA 0.491 53.423 53.050 -0.196 0.000 0.726 259 N CB -1.315 37.003 38.487 -0.281 0.000 0.908 259 N HN 0.543 nan 8.380 nan 0.000 0.542 260 I N 0.500 121.018 120.570 -0.088 0.000 2.505 260 I HA 0.287 4.434 4.170 -0.040 0.000 0.287 260 I C 0.992 177.168 176.117 0.098 0.000 1.104 260 I CA 0.125 61.436 61.300 0.018 0.000 1.387 260 I CB 0.596 38.583 38.000 -0.021 0.000 1.404 260 I HN 0.334 nan 8.210 nan 0.000 0.528 261 A N 6.866 129.811 122.820 0.209 0.000 2.566 261 A HA 0.796 5.092 4.320 -0.040 0.000 0.292 261 A C -1.581 176.161 177.584 0.262 0.000 1.112 261 A CA -0.447 51.703 52.037 0.188 0.000 0.707 261 A CB 1.589 20.653 19.000 0.106 0.000 1.302 261 A HN 0.524 nan 8.150 nan 0.000 0.409 262 F N 0.323 120.279 119.950 0.009 0.000 2.518 262 F HA 0.622 5.125 4.527 -0.040 0.000 0.323 262 F C 0.307 176.122 175.800 0.026 0.000 1.129 262 F CA -0.474 57.460 58.000 -0.110 0.000 0.920 262 F CB 1.852 40.715 39.000 -0.227 0.000 1.160 262 F HN 0.593 nan 8.300 nan 0.000 0.440 263 R N 3.942 124.345 120.500 -0.161 0.000 2.429 263 R HA 0.109 4.426 4.340 -0.040 0.000 0.302 263 R C -0.858 175.501 176.300 0.099 0.000 1.268 263 R CA -0.070 56.014 56.100 -0.027 0.000 1.090 263 R CB -0.419 29.816 30.300 -0.109 0.000 1.102 263 R HN 0.476 nan 8.270 nan 0.000 0.522 264 D N 3.876 124.454 120.400 0.297 0.000 2.483 264 D HA 0.198 4.814 4.640 -0.040 0.000 0.220 264 D C 1.065 177.460 176.300 0.159 0.000 1.173 264 D CA 1.086 55.297 54.000 0.352 0.000 0.964 264 D CB 0.360 41.393 40.800 0.387 0.000 1.046 264 D HN 0.684 nan 8.370 nan 0.000 0.517 265 G N 4.985 113.846 108.800 0.102 0.000 2.846 265 G HA2 -0.419 3.517 3.960 -0.040 0.000 0.317 265 G HA3 -0.419 3.517 3.960 -0.040 0.000 0.317 265 G C 0.940 175.859 174.900 0.032 0.000 1.210 265 G CA 0.706 45.837 45.100 0.051 0.000 0.972 265 G HN 0.582 nan 8.290 nan 0.000 0.567 266 D N 1.730 122.149 120.400 0.031 0.000 2.271 266 D HA 0.081 4.697 4.640 -0.040 0.000 0.206 266 D C 1.286 177.599 176.300 0.022 0.000 0.967 266 D CA 0.800 54.811 54.000 0.019 0.000 0.867 266 D CB 0.021 40.829 40.800 0.012 0.000 0.960 266 D HN 0.640 nan 8.370 nan 0.000 0.509 267 R N 0.294 120.813 120.500 0.033 0.000 2.474 267 R HA 0.518 4.834 4.340 -0.040 0.000 0.295 267 R C -0.663 175.672 176.300 0.058 0.000 0.980 267 R CA -0.910 55.210 56.100 0.033 0.000 0.934 267 R CB 1.477 31.787 30.300 0.016 0.000 1.101 267 R HN -0.024 nan 8.270 nan 0.000 0.469 268 L N 2.995 124.247 121.223 0.049 0.000 2.268 268 L HA 0.309 4.625 4.340 -0.040 0.000 0.289 268 L C -0.578 176.339 176.870 0.078 0.000 1.064 268 L CA -0.051 54.829 54.840 0.066 0.000 0.824 268 L CB 0.213 42.302 42.059 0.050 0.000 1.202 268 L HN 0.491 nan 8.230 nan 0.000 0.433 269 R N 7.088 127.672 120.500 0.139 0.000 2.229 269 R HA 0.429 4.746 4.340 -0.040 0.000 0.328 269 R C -2.301 174.101 176.300 0.170 0.000 1.009 269 R CA -1.733 54.461 56.100 0.156 0.000 0.864 269 R CB 0.581 31.013 30.300 0.219 0.000 1.085 269 R HN 0.493 nan 8.270 nan 0.000 0.453 270 P HA 0.096 nan 4.420 nan 0.000 0.274 270 P C -0.122 177.163 177.300 -0.025 0.000 1.231 270 P CA 0.029 63.120 63.100 -0.015 0.000 0.790 270 P CB 1.234 32.848 31.700 -0.142 0.000 0.951 271 I N 0.653 121.149 120.570 -0.122 0.000 3.746 271 I HA 0.245 4.391 4.170 -0.040 0.000 0.262 271 I C 0.699 176.667 176.117 -0.248 0.000 1.153 271 I CA 0.236 61.361 61.300 -0.292 0.000 1.395 271 I CB 0.357 38.055 38.000 -0.503 0.000 1.589 271 I HN 0.130 nan 8.210 nan 0.000 0.441 272 I N 1.450 121.910 120.570 -0.183 0.000 2.466 272 I HA 0.176 4.322 4.170 -0.040 0.000 0.289 272 I C 0.634 176.666 176.117 -0.142 0.000 1.026 272 I CA -0.242 60.965 61.300 -0.155 0.000 1.078 272 I CB 2.071 39.984 38.000 -0.145 0.000 1.249 272 I HN 0.133 nan 8.210 nan 0.000 0.429 273 N N 5.322 123.957 118.700 -0.108 0.000 2.171 273 N HA 0.010 4.727 4.740 -0.040 0.000 0.184 273 N C 0.548 176.008 175.510 -0.083 0.000 1.021 273 N CA 0.986 54.000 53.050 -0.060 0.000 0.854 273 N CB 0.536 39.093 38.487 0.117 0.000 0.994 273 N HN 0.539 nan 8.380 nan 0.000 0.426 274 R N -0.117 120.308 120.500 -0.125 0.000 2.515 274 R HA 0.464 4.780 4.340 -0.040 0.000 0.278 274 R C -2.056 174.080 176.300 -0.274 0.000 1.107 274 R CA -0.502 55.468 56.100 -0.217 0.000 0.945 274 R CB 1.854 32.078 30.300 -0.126 0.000 1.219 274 R HN 0.054 nan 8.270 nan 0.000 0.434 275 A N 2.375 124.951 122.820 -0.407 0.000 2.330 275 A HA 0.717 5.013 4.320 -0.040 0.000 0.313 275 A C -0.961 176.362 177.584 -0.434 0.000 1.124 275 A CA -0.429 51.359 52.037 -0.415 0.000 0.774 275 A CB 1.443 20.055 19.000 -0.647 0.000 1.198 275 A HN 0.802 nan 8.150 nan 0.000 0.465 276 S N 1.491 117.116 115.700 -0.126 0.000 2.588 276 S HA 0.676 5.122 4.470 -0.040 0.000 0.269 276 S C -1.121 173.594 174.600 0.192 0.000 1.157 276 S CA -0.715 57.505 58.200 0.034 0.000 0.824 276 S CB 0.947 64.108 63.200 -0.066 0.000 1.126 276 S HN 0.527 nan 8.310 nan 0.000 0.464 277 I N 2.283 123.004 120.570 0.253 0.000 2.287 277 I HA 0.398 4.544 4.170 -0.040 0.000 0.290 277 I C 1.304 177.530 176.117 0.182 0.000 1.069 277 I CA -0.507 60.922 61.300 0.216 0.000 1.237 277 I CB 0.297 38.507 38.000 0.351 0.000 1.418 277 I HN 0.989 nan 8.210 nan 0.000 0.481 278 A N 5.100 127.993 122.820 0.122 0.000 2.169 278 A HA 0.104 4.400 4.320 -0.040 0.000 0.212 278 A C 0.746 178.381 177.584 0.086 0.000 1.153 278 A CA 0.884 53.014 52.037 0.155 0.000 0.756 278 A CB 0.083 19.193 19.000 0.184 0.000 0.813 278 A HN 0.655 nan 8.150 nan 0.000 0.471 279 E N -1.907 118.278 120.200 -0.024 0.000 2.396 279 E HA 0.573 4.899 4.350 -0.040 0.000 0.280 279 E C -1.456 175.101 176.600 -0.073 0.000 1.065 279 E CA -0.341 55.996 56.400 -0.104 0.000 0.831 279 E CB 0.901 30.361 29.700 -0.400 0.000 1.272 279 E HN 0.066 nan 8.360 nan 0.000 0.443 280 M N 3.588 123.153 119.600 -0.057 0.000 2.272 280 M HA 0.342 4.798 4.480 -0.040 0.000 0.240 280 M C -1.919 174.254 176.300 -0.212 0.000 0.991 280 M CA -0.652 54.483 55.300 -0.275 0.000 1.008 280 M CB 1.436 33.855 32.600 -0.301 0.000 2.221 280 M HN 0.439 nan 8.290 nan 0.000 0.469 281 V N 5.159 124.909 119.914 -0.275 0.000 2.667 281 V HA 0.722 4.818 4.120 -0.040 0.000 0.308 281 V C -1.045 174.808 176.094 -0.401 0.000 1.048 281 V CA -0.279 61.770 62.300 -0.418 0.000 0.928 281 V CB 2.301 33.708 31.823 -0.692 0.000 1.004 281 V HN 0.575 nan 8.190 nan 0.000 0.444 282 V N 7.995 127.694 119.914 -0.358 0.000 2.320 282 V HA 0.390 4.487 4.120 -0.040 0.000 0.268 282 V C -2.423 173.422 176.094 -0.415 0.000 1.021 282 V CA -1.300 60.777 62.300 -0.371 0.000 0.813 282 V CB 1.209 32.917 31.823 -0.192 0.000 1.054 282 V HN 0.810 nan 8.190 nan 0.000 0.444 283 P HA 0.327 nan 4.420 nan 0.000 0.279 283 P C -1.313 175.750 177.300 -0.395 0.000 1.239 283 P CA -0.250 62.649 63.100 -0.334 0.000 0.789 283 P CB 1.123 32.652 31.700 -0.285 0.000 0.933 284 Y N 0.348 120.495 120.300 -0.255 0.000 2.387 284 Y HA 0.476 5.003 4.550 -0.037 0.000 0.336 284 Y C 1.670 177.507 175.900 -0.105 0.000 1.067 284 Y CA 0.137 58.133 58.100 -0.174 0.000 1.114 284 Y CB 1.632 39.915 38.460 -0.294 0.000 1.208 284 Y HN 0.473 nan 8.280 nan 0.000 0.458 285 G N 1.189 110.038 108.800 0.082 0.000 3.707 285 G HA2 0.001 3.938 3.960 -0.040 0.000 0.286 285 G HA3 0.001 3.938 3.960 -0.040 0.000 0.286 285 G C -0.680 174.263 174.900 0.073 0.000 1.112 285 G CA -0.161 44.991 45.100 0.086 0.000 0.861 285 G HN 0.496 nan 8.290 nan 0.000 0.534 286 D N 1.272 121.697 120.400 0.041 0.000 2.359 286 D HA 0.246 4.863 4.640 -0.040 0.000 0.230 286 D C -1.229 175.044 176.300 -0.045 0.000 1.118 286 D CA -2.362 51.624 54.000 -0.023 0.000 0.844 286 D CB 2.249 43.031 40.800 -0.029 0.000 1.059 286 D HN 0.049 nan 8.370 nan 0.000 0.493 287 P HA -0.027 nan 4.420 nan 0.000 0.242 287 P C 0.315 177.602 177.300 -0.021 0.000 1.197 287 P CA -0.031 63.056 63.100 -0.022 0.000 0.765 287 P CB 0.122 31.820 31.700 -0.003 0.000 0.936 288 S N 2.415 118.094 115.700 -0.035 0.000 2.533 288 S HA 0.135 4.581 4.470 -0.040 0.000 0.282 288 S C -0.945 173.658 174.600 0.004 0.000 1.304 288 S CA -1.191 57.001 58.200 -0.013 0.000 1.063 288 S CB 0.298 63.472 63.200 -0.043 0.000 0.881 288 S HN 0.004 nan 8.310 nan 0.000 0.493 289 P HA -0.114 nan 4.420 nan 0.000 0.223 289 P C 1.355 178.805 177.300 0.249 0.000 1.144 289 P CA 0.710 63.892 63.100 0.137 0.000 0.783 289 P CB -0.061 31.723 31.700 0.140 0.000 0.771 290 I N -0.266 120.409 120.570 0.175 0.000 2.493 290 I HA -0.089 4.058 4.170 -0.040 0.000 0.254 290 I C 2.164 178.444 176.117 0.273 0.000 1.160 290 I CA 1.301 62.753 61.300 0.253 0.000 1.445 290 I CB -0.994 37.056 38.000 0.084 0.000 1.086 290 I HN 0.037 nan 8.210 nan 0.000 0.433 291 R N -0.569 119.874 120.500 -0.095 0.000 2.541 291 R HA 0.097 4.413 4.340 -0.040 0.000 0.332 291 R C 1.921 177.763 176.300 -0.763 0.000 0.951 291 R CA 0.468 56.225 56.100 -0.572 0.000 1.136 291 R CB 0.322 30.409 30.300 -0.355 0.000 1.449 291 R HN 0.268 nan 8.270 nan 0.000 0.531 292 S N 0.700 116.147 115.700 -0.421 0.000 2.537 292 S HA -0.108 4.338 4.470 -0.040 0.000 0.240 292 S C 1.358 175.715 174.600 -0.404 0.000 0.981 292 S CA 0.398 58.414 58.200 -0.307 0.000 0.948 292 S CB -0.364 62.757 63.200 -0.132 0.000 0.759 292 S HN 0.599 nan 8.310 nan 0.000 0.531 293 W N 0.452 121.554 121.300 -0.330 0.000 3.211 293 W HA 0.390 5.024 4.660 -0.044 0.000 0.292 293 W C 0.505 177.005 176.519 -0.033 0.000 1.268 293 W CA -0.668 56.365 57.345 -0.518 0.000 1.702 293 W CB -0.686 28.413 29.460 -0.601 0.000 1.092 293 W HN 0.277 nan 8.180 nan 0.000 0.643 294 Q N 2.916 122.176 119.800 -0.900 0.000 2.262 294 Q HA 0.075 4.391 4.340 -0.040 0.000 0.272 294 Q C -0.721 174.976 176.000 -0.505 0.000 1.076 294 Q CA 0.809 56.054 55.803 -0.930 0.000 0.905 294 Q CB 0.092 28.004 28.738 -1.375 0.000 1.182 294 Q HN 0.022 nan 8.270 nan 0.000 0.390 295 N N 4.779 123.198 118.700 -0.468 0.000 2.699 295 N HA 0.096 4.812 4.740 -0.040 0.000 0.271 295 N C -1.951 173.441 175.510 -0.197 0.000 1.216 295 N CA -0.409 52.459 53.050 -0.302 0.000 0.844 295 N CB 0.924 39.400 38.487 -0.018 0.000 1.462 295 N HN 0.414 nan 8.380 nan 0.000 0.555 296 Y N 1.236 121.579 120.300 0.072 0.000 2.404 296 Y HA 0.389 4.914 4.550 -0.041 0.000 0.344 296 Y C 0.204 176.173 175.900 0.116 0.000 0.970 296 Y CA -0.835 57.390 58.100 0.208 0.000 1.180 296 Y CB 0.099 38.629 38.460 0.117 0.000 1.138 296 Y HN 0.302 nan 8.280 nan 0.000 0.510 297 F N 3.398 123.564 119.950 0.359 0.000 2.567 297 F HA 0.184 4.687 4.527 -0.040 0.000 0.352 297 F C 1.079 177.063 175.800 0.307 0.000 1.229 297 F CA -0.599 57.534 58.000 0.222 0.000 1.228 297 F CB 0.036 39.122 39.000 0.145 0.000 1.568 297 F HN 0.492 nan 8.300 nan 0.000 0.634 298 D N 0.480 121.087 120.400 0.345 0.000 2.190 298 D HA -0.155 4.461 4.640 -0.040 0.000 0.200 298 D C 2.034 178.524 176.300 0.317 0.000 0.992 298 D CA 1.630 55.826 54.000 0.327 0.000 0.854 298 D CB -0.043 40.852 40.800 0.158 0.000 0.936 298 D HN 0.375 nan 8.370 nan 0.000 0.462 299 T N -0.565 114.115 114.554 0.210 0.000 2.814 299 T HA 0.042 4.368 4.350 -0.040 0.000 0.254 299 T C 1.978 176.724 174.700 0.077 0.000 1.037 299 T CA 1.186 63.365 62.100 0.132 0.000 1.143 299 T CB -0.422 68.493 68.868 0.079 0.000 0.866 299 T HN 0.226 nan 8.240 nan 0.000 0.431 300 G N 1.024 109.876 108.800 0.086 0.000 2.394 300 G HA2 -0.108 3.828 3.960 -0.040 0.000 0.215 300 G HA3 -0.108 3.828 3.960 -0.040 0.000 0.215 300 G C 1.444 176.332 174.900 -0.021 0.000 1.165 300 G CA 0.512 45.580 45.100 -0.054 0.000 0.784 300 G HN 0.478 nan 8.290 nan 0.000 0.535 301 E N -1.116 119.154 120.200 0.118 0.000 2.166 301 E HA 0.088 4.415 4.350 -0.040 0.000 0.192 301 E C 1.795 178.360 176.600 -0.059 0.000 0.967 301 E CA 0.378 56.781 56.400 0.004 0.000 0.840 301 E CB 0.091 29.801 29.700 0.017 0.000 0.795 301 E HN 0.573 nan 8.360 nan 0.000 0.470 302 Y N -0.073 120.376 120.300 0.248 0.000 2.507 302 Y HA 0.286 4.812 4.550 -0.040 0.000 0.263 302 Y C 0.012 176.111 175.900 0.333 0.000 1.093 302 Y CA -0.045 58.270 58.100 0.358 0.000 1.285 302 Y CB 0.578 39.284 38.460 0.409 0.000 1.115 302 Y HN -0.164 nan 8.280 nan 0.000 0.533 303 L N 0.846 122.264 121.223 0.324 0.000 2.805 303 L HA -0.194 4.122 4.340 -0.040 0.000 0.688 303 L C 1.064 178.036 176.870 0.170 0.000 1.050 303 L CA 0.035 54.973 54.840 0.163 0.000 1.362 303 L CB -1.544 40.564 42.059 0.082 0.000 1.968 303 L HN 0.176 nan 8.230 nan 0.000 0.923 304 V N -0.286 119.732 119.914 0.173 0.000 2.568 304 V HA -0.113 3.984 4.120 -0.040 0.000 0.253 304 V C 2.150 178.323 176.094 0.130 0.000 1.072 304 V CA 2.207 64.629 62.300 0.204 0.000 1.084 304 V CB -0.458 31.444 31.823 0.132 0.000 0.676 304 V HN 0.849 nan 8.190 nan 0.000 0.469 305 G N 1.129 109.888 108.800 -0.067 0.000 2.422 305 G HA2 -0.273 3.663 3.960 -0.040 0.000 0.218 305 G HA3 -0.273 3.663 3.960 -0.040 0.000 0.218 305 G C 1.554 176.500 174.900 0.077 0.000 1.146 305 G CA 0.943 45.948 45.100 -0.158 0.000 0.769 305 G HN 0.809 nan 8.290 nan 0.000 0.547 306 Q N -0.928 118.806 119.800 -0.110 0.000 2.224 306 Q HA -0.068 4.248 4.340 -0.040 0.000 0.203 306 Q C 1.336 177.176 176.000 -0.266 0.000 0.970 306 Q CA 1.042 56.695 55.803 -0.250 0.000 0.865 306 Q CB -0.372 28.077 28.738 -0.481 0.000 0.922 306 Q HN 0.506 nan 8.270 nan 0.000 0.445 307 Y N 0.988 121.418 120.300 0.217 0.000 2.470 307 Y HA 0.468 4.996 4.550 -0.038 0.000 0.284 307 Y C 0.668 176.717 175.900 0.249 0.000 1.188 307 Y CA -0.878 57.358 58.100 0.226 0.000 1.269 307 Y CB -0.321 38.285 38.460 0.243 0.000 1.094 307 Y HN 0.165 nan 8.280 nan 0.000 0.518 308 A N 1.043 124.076 122.820 0.356 0.000 2.511 308 A HA 0.132 4.428 4.320 -0.040 0.000 0.242 308 A C 0.349 178.106 177.584 0.288 0.000 1.069 308 A CA -0.377 51.898 52.037 0.396 0.000 0.763 308 A CB -0.031 19.211 19.000 0.403 0.000 1.001 308 A HN 0.322 nan 8.150 nan 0.000 0.498 309 N N 0.964 119.842 118.700 0.297 0.000 2.483 309 N HA 0.255 4.971 4.740 -0.040 0.000 0.269 309 N C -0.382 175.216 175.510 0.147 0.000 1.209 309 N CA -0.113 53.062 53.050 0.209 0.000 0.969 309 N CB 0.837 39.446 38.487 0.204 0.000 1.173 309 N HN 0.492 nan 8.380 nan 0.000 0.475 310 S N 0.843 116.592 115.700 0.083 0.000 2.430 310 S HA 0.320 4.766 4.470 -0.040 0.000 0.289 310 S C 0.225 174.841 174.600 0.026 0.000 1.143 310 S CA -0.632 57.580 58.200 0.020 0.000 1.067 310 S CB -0.073 63.117 63.200 -0.016 0.000 0.964 310 S HN 0.232 nan 8.310 nan 0.000 0.485 311 L N 4.110 125.361 121.223 0.047 0.000 2.315 311 L HA 0.290 4.606 4.340 -0.040 0.000 0.283 311 L C 0.495 177.397 176.870 0.054 0.000 1.089 311 L CA -0.619 54.282 54.840 0.102 0.000 0.833 311 L CB 0.289 42.500 42.059 0.253 0.000 1.170 311 L HN 0.430 nan 8.230 nan 0.000 0.442 312 E N 2.994 123.219 120.200 0.041 0.000 2.360 312 E HA 0.145 4.472 4.350 -0.040 0.000 0.269 312 E C -0.321 176.341 176.600 0.103 0.000 1.022 312 E CA -0.697 55.722 56.400 0.032 0.000 0.887 312 E CB 1.536 31.243 29.700 0.012 0.000 0.990 312 E HN 0.255 nan 8.360 nan 0.000 0.426 313 L N 1.992 123.286 121.223 0.119 0.000 2.455 313 L HA 0.245 4.561 4.340 -0.040 0.000 0.272 313 L C 1.377 178.293 176.870 0.076 0.000 1.174 313 L CA 1.814 56.748 54.840 0.157 0.000 0.869 313 L CB 0.259 42.418 42.059 0.168 0.000 1.130 313 L HN 0.788 nan 8.230 nan 0.000 0.474 314 G N 2.159 110.991 108.800 0.054 0.000 2.579 314 G HA2 -0.363 3.574 3.960 -0.040 0.000 0.222 314 G HA3 -0.363 3.574 3.960 -0.040 0.000 0.222 314 G C 1.080 175.991 174.900 0.019 0.000 1.201 314 G CA 0.310 45.427 45.100 0.028 0.000 0.710 314 G HN 0.768 nan 8.290 nan 0.000 0.516 315 C N 0.600 119.912 119.300 0.021 0.000 2.518 315 C HA 0.241 4.677 4.460 -0.040 0.000 0.279 315 C C 2.304 177.293 174.990 -0.001 0.000 1.279 315 C CA 1.574 60.594 59.018 0.004 0.000 1.703 315 C CB -0.841 26.897 27.740 -0.004 0.000 2.072 315 C HN 0.595 nan 8.230 nan 0.000 0.487 316 D N -0.516 119.894 120.400 0.017 0.000 2.262 316 D HA 0.068 4.684 4.640 -0.040 0.000 0.212 316 D C 0.159 176.496 176.300 0.060 0.000 0.964 316 D CA 0.938 54.952 54.000 0.023 0.000 0.875 316 D CB 0.169 40.989 40.800 0.035 0.000 0.996 316 D HN 0.411 nan 8.370 nan 0.000 0.497 317 c N 1.938 120.561 118.600 0.039 0.000 2.383 317 c HA 0.457 5.003 4.570 -0.040 0.000 0.330 317 c C -0.406 173.618 174.090 -0.110 0.000 1.168 317 c CA -1.089 55.199 56.329 -0.069 0.000 1.374 317 c CB 0.789 43.229 42.510 -0.117 0.000 2.014 317 c HN 0.157 nan 8.230 nan 0.000 0.439 318 L N 4.042 125.190 121.223 -0.125 0.000 2.325 318 L HA 0.950 5.266 4.340 -0.040 0.000 0.279 318 L C 0.586 177.394 176.870 -0.103 0.000 1.054 318 L CA 1.844 56.640 54.840 -0.073 0.000 0.804 318 L CB 0.896 42.948 42.059 -0.013 0.000 1.200 318 L HN 1.101 nan 8.230 nan 0.000 0.436 319 G N 3.427 112.203 108.800 -0.041 0.000 2.428 319 G HA2 -0.163 3.773 3.960 -0.040 0.000 0.202 319 G HA3 -0.163 3.773 3.960 -0.040 0.000 0.202 319 G C -0.967 173.930 174.900 -0.006 0.000 1.247 319 G CA -0.193 44.907 45.100 -0.001 0.000 1.020 319 G HN 0.750 nan 8.290 nan 0.000 0.529 320 D N 1.475 121.901 120.400 0.043 0.000 2.422 320 D HA 0.416 5.033 4.640 -0.040 0.000 0.227 320 D C 0.352 176.691 176.300 0.064 0.000 1.190 320 D CA -0.177 53.853 54.000 0.050 0.000 0.905 320 D CB -0.010 40.831 40.800 0.067 0.000 1.034 320 D HN 0.381 nan 8.370 nan 0.000 0.507 321 I N 2.487 123.035 120.570 -0.037 0.000 2.392 321 I HA 0.226 4.372 4.170 -0.040 0.000 0.295 321 I C 0.674 176.720 176.117 -0.118 0.000 0.985 321 I CA -0.505 60.702 61.300 -0.154 0.000 1.221 321 I CB 1.509 39.222 38.000 -0.479 0.000 1.366 321 I HN 0.097 nan 8.210 nan 0.000 0.467 322 T N 6.192 120.730 114.554 -0.026 0.000 2.786 322 T HA 0.521 4.847 4.350 -0.040 0.000 0.283 322 T C -0.585 174.088 174.700 -0.044 0.000 0.992 322 T CA -0.289 61.858 62.100 0.079 0.000 0.954 322 T CB 0.572 69.643 68.868 0.338 0.000 0.934 322 T HN 0.170 nan 8.240 nan 0.000 0.440 323 Y N 1.980 122.337 120.300 0.095 0.000 2.419 323 Y HA 0.644 5.170 4.550 -0.040 0.000 0.328 323 Y C 0.231 176.155 175.900 0.039 0.000 1.162 323 Y CA -1.216 56.919 58.100 0.057 0.000 1.174 323 Y CB 1.061 39.542 38.460 0.036 0.000 1.228 323 Y HN 0.353 nan 8.280 nan 0.000 0.473 324 L N 1.416 122.763 121.223 0.207 0.000 2.362 324 L HA 0.507 4.824 4.340 -0.040 0.000 0.271 324 L C -0.640 176.243 176.870 0.022 0.000 1.002 324 L CA -0.655 54.237 54.840 0.085 0.000 0.818 324 L CB 2.002 44.084 42.059 0.039 0.000 1.298 324 L HN 0.544 nan 8.230 nan 0.000 0.420 325 S N 3.430 119.111 115.700 -0.031 0.000 2.406 325 S HA 0.341 4.787 4.470 -0.040 0.000 0.224 325 S C -2.340 172.173 174.600 -0.145 0.000 1.426 325 S CA -1.047 57.095 58.200 -0.097 0.000 1.179 325 S CB 0.825 63.986 63.200 -0.066 0.000 1.042 325 S HN 0.383 nan 8.310 nan 0.000 0.479 326 P HA 0.216 nan 4.420 nan 0.000 0.272 326 P C -0.727 176.460 177.300 -0.188 0.000 1.223 326 P CA -0.299 62.623 63.100 -0.297 0.000 0.784 326 P CB 0.740 31.989 31.700 -0.752 0.000 0.923 327 V N 3.829 123.701 119.914 -0.070 0.000 2.459 327 V HA 0.425 4.521 4.120 -0.040 0.000 0.295 327 V C 0.724 176.831 176.094 0.020 0.000 1.029 327 V CA -0.519 61.766 62.300 -0.025 0.000 0.874 327 V CB 1.132 32.953 31.823 -0.002 0.000 0.985 327 V HN 0.484 nan 8.190 nan 0.000 0.438 328 I N 1.204 121.780 120.570 0.010 0.000 3.264 328 I HA 0.823 4.969 4.170 -0.040 0.000 0.309 328 I C -0.141 175.967 176.117 -0.015 0.000 1.099 328 I CA -0.691 60.619 61.300 0.017 0.000 0.989 328 I CB 2.253 40.270 38.000 0.030 0.000 1.250 328 I HN 0.512 nan 8.210 nan 0.000 0.478 329 S N 0.626 116.301 115.700 -0.043 0.000 2.593 329 S HA 0.442 4.888 4.470 -0.040 0.000 0.297 329 S C -0.767 173.801 174.600 -0.053 0.000 1.112 329 S CA -0.596 57.574 58.200 -0.050 0.000 1.043 329 S CB 0.947 64.102 63.200 -0.075 0.000 1.054 329 S HN 0.800 nan 8.310 nan 0.000 0.516 330 D N 2.202 122.584 120.400 -0.030 0.000 2.506 330 D HA 0.451 5.068 4.640 -0.040 0.000 0.272 330 D C 1.217 177.456 176.300 -0.102 0.000 1.214 330 D CA -0.227 53.752 54.000 -0.035 0.000 1.067 330 D CB 0.065 40.885 40.800 0.034 0.000 1.117 330 D HN 0.483 nan 8.370 nan 0.000 0.578 331 A N -1.060 121.636 122.820 -0.206 0.000 2.131 331 A HA -0.058 4.239 4.320 -0.040 0.000 0.220 331 A C 1.288 178.473 177.584 -0.666 0.000 1.158 331 A CA 0.851 52.613 52.037 -0.459 0.000 0.665 331 A CB -0.923 17.696 19.000 -0.634 0.000 0.795 331 A HN 0.455 nan 8.150 nan 0.000 0.460 332 F N -1.540 118.408 119.950 -0.004 0.000 2.654 332 F HA 0.418 4.921 4.527 -0.040 0.000 0.303 332 F C 1.673 177.461 175.800 -0.019 0.000 1.099 332 F CA 0.189 58.185 58.000 -0.006 0.000 1.270 332 F CB 0.262 39.258 39.000 -0.006 0.000 1.024 332 F HN 0.286 nan 8.300 nan 0.000 0.548 333 G N 0.190 109.022 108.800 0.054 0.000 2.176 333 G HA2 -0.266 3.670 3.960 -0.040 0.000 0.253 333 G HA3 -0.266 3.670 3.960 -0.040 0.000 0.253 333 G C 0.085 174.992 174.900 0.011 0.000 0.979 333 G CA -0.375 44.734 45.100 0.015 0.000 0.641 333 G HN 0.296 nan 8.290 nan 0.000 0.530 334 N N 2.141 120.870 118.700 0.048 0.000 2.499 334 N HA 0.400 5.116 4.740 -0.040 0.000 0.281 334 N C -2.554 172.959 175.510 0.005 0.000 1.098 334 N CA -1.009 52.057 53.050 0.027 0.000 0.979 334 N CB 1.712 40.231 38.487 0.053 0.000 1.121 334 N HN 0.215 nan 8.380 nan 0.000 0.466 335 P HA 0.180 nan 4.420 nan 0.000 0.276 335 P C -0.616 176.680 177.300 -0.005 0.000 1.230 335 P CA -0.095 62.996 63.100 -0.015 0.000 0.776 335 P CB 1.281 32.968 31.700 -0.022 0.000 0.888 336 R N 2.060 122.555 120.500 -0.007 0.000 2.513 336 R HA 0.260 4.577 4.340 -0.040 0.000 0.301 336 R C -0.442 175.847 176.300 -0.018 0.000 0.968 336 R CA -0.604 55.492 56.100 -0.006 0.000 0.872 336 R CB 1.540 31.840 30.300 0.001 0.000 1.177 336 R HN 0.502 nan 8.270 nan 0.000 0.444 337 E N 5.182 125.367 120.200 -0.024 0.000 2.249 337 E HA 0.183 4.510 4.350 -0.040 0.000 0.280 337 E C -0.609 175.958 176.600 -0.056 0.000 1.016 337 E CA -0.497 55.876 56.400 -0.045 0.000 0.830 337 E CB 0.961 30.638 29.700 -0.039 0.000 1.081 337 E HN 0.550 nan 8.360 nan 0.000 0.395 338 I N 5.548 126.058 120.570 -0.101 0.000 2.316 338 I HA 0.194 4.340 4.170 -0.040 0.000 0.286 338 I C 0.694 176.744 176.117 -0.112 0.000 1.107 338 I CA -0.441 60.797 61.300 -0.103 0.000 1.219 338 I CB 0.327 38.222 38.000 -0.175 0.000 1.455 338 I HN 0.332 nan 8.210 nan 0.000 0.498 339 R N 6.107 126.558 120.500 -0.082 0.000 2.502 339 R HA -0.053 4.264 4.340 -0.040 0.000 0.292 339 R C 0.149 176.365 176.300 -0.140 0.000 0.998 339 R CA 0.356 56.395 56.100 -0.102 0.000 1.056 339 R CB 0.249 30.496 30.300 -0.089 0.000 0.939 339 R HN 0.618 nan 8.270 nan 0.000 0.411 340 N N 2.333 120.921 118.700 -0.187 0.000 2.727 340 N HA -0.176 4.541 4.740 -0.040 0.000 0.249 340 N C 0.624 176.111 175.510 -0.039 0.000 1.048 340 N CA 1.191 54.065 53.050 -0.293 0.000 0.714 340 N CB -1.293 36.758 38.487 -0.726 0.000 0.959 340 N HN 0.876 nan 8.380 nan 0.000 0.544 341 G N -1.093 107.693 108.800 -0.023 0.000 2.623 341 G HA2 0.238 4.174 3.960 -0.040 0.000 0.214 341 G HA3 0.238 4.174 3.960 -0.040 0.000 0.214 341 G C 0.507 175.473 174.900 0.110 0.000 1.138 341 G CA 0.263 45.367 45.100 0.007 0.000 0.794 341 G HN 0.443 nan 8.290 nan 0.000 0.535 342 I N 0.219 120.873 120.570 0.140 0.000 2.498 342 I HA 0.312 4.458 4.170 -0.040 0.000 0.290 342 I C -0.822 175.422 176.117 0.212 0.000 1.032 342 I CA -0.916 60.490 61.300 0.178 0.000 1.073 342 I CB 2.542 40.592 38.000 0.083 0.000 1.251 342 I HN -0.202 nan 8.210 nan 0.000 0.426 343 c N 6.899 125.588 118.600 0.148 0.000 2.319 343 c HA 0.674 5.220 4.570 -0.040 0.000 0.335 343 c C 0.043 174.142 174.090 0.015 0.000 1.274 343 c CA -0.506 55.827 56.329 0.007 0.000 1.806 343 c CB 0.535 43.070 42.510 0.041 0.000 2.329 343 c HN 0.653 nan 8.230 nan 0.000 0.524 344 M N 5.926 125.496 119.600 -0.051 0.000 2.263 344 M HA 0.509 4.965 4.480 -0.040 0.000 0.295 344 M C -0.643 175.615 176.300 -0.070 0.000 1.028 344 M CA -0.120 55.077 55.300 -0.171 0.000 0.921 344 M CB 1.775 34.198 32.600 -0.294 0.000 1.601 344 M HN 0.949 nan 8.290 nan 0.000 0.440 345 H N 0.989 119.826 119.070 -0.389 0.000 2.950 345 H HA 0.455 4.988 4.556 -0.040 0.000 0.307 345 H C -2.105 173.080 175.328 -0.237 0.000 1.403 345 H CA -1.099 54.875 56.048 -0.123 0.000 1.145 345 H CB 0.962 30.724 29.762 0.000 0.000 1.844 345 H HN 0.730 nan 8.280 nan 0.000 0.515 346 E N 1.034 121.195 120.200 -0.065 0.000 2.212 346 E HA 0.519 4.846 4.350 -0.040 0.000 0.268 346 E C -0.945 175.651 176.600 -0.007 0.000 0.902 346 E CA -0.953 55.326 56.400 -0.202 0.000 0.779 346 E CB 2.731 32.478 29.700 0.079 0.000 1.172 346 E HN 0.699 nan 8.360 nan 0.000 0.409 347 E N 2.055 122.222 120.200 -0.054 0.000 2.343 347 E HA 0.275 4.601 4.350 -0.040 0.000 0.270 347 E C -1.278 175.433 176.600 0.185 0.000 0.895 347 E CA -1.071 55.388 56.400 0.098 0.000 0.767 347 E CB 1.608 31.366 29.700 0.097 0.000 1.248 347 E HN 0.527 nan 8.360 nan 0.000 0.440 348 D N 1.364 121.895 120.400 0.219 0.000 2.443 348 D HA -0.078 4.538 4.640 -0.040 0.000 0.239 348 D C -0.961 175.568 176.300 0.382 0.000 1.136 348 D CA 0.154 54.300 54.000 0.244 0.000 0.879 348 D CB 0.522 41.416 40.800 0.156 0.000 1.195 348 D HN 0.529 nan 8.370 nan 0.000 0.443 349 W N 5.862 127.207 121.300 0.075 0.000 1.340 349 W HA 0.367 5.003 4.660 -0.040 0.000 0.301 349 W C 0.374 176.924 176.519 0.052 0.000 0.834 349 W CA 0.015 57.402 57.345 0.070 0.000 2.473 349 W CB 0.101 29.651 29.460 0.151 0.000 1.837 349 W HN 0.847 nan 8.180 nan 0.000 0.528 350 G N 1.943 110.693 108.800 -0.084 0.000 2.564 350 G HA2 -0.335 3.602 3.960 -0.040 0.000 0.273 350 G HA3 -0.335 3.602 3.960 -0.040 0.000 0.273 350 G C -0.396 174.482 174.900 -0.038 0.000 1.242 350 G CA 0.020 45.037 45.100 -0.137 0.000 0.951 350 G HN 0.075 nan 8.290 nan 0.000 0.564 351 I N 1.467 122.001 120.570 -0.060 0.000 2.441 351 I HA 0.267 4.414 4.170 -0.040 0.000 0.287 351 I C 1.526 177.658 176.117 0.025 0.000 1.049 351 I CA -0.192 61.098 61.300 -0.017 0.000 1.381 351 I CB 0.827 38.809 38.000 -0.031 0.000 1.409 351 I HN 0.626 nan 8.210 nan 0.000 0.523 352 L N 6.655 127.910 121.223 0.054 0.000 2.189 352 L HA 0.456 4.772 4.340 -0.040 0.000 0.199 352 L C 0.659 177.575 176.870 0.077 0.000 1.074 352 L CA 1.120 56.012 54.840 0.087 0.000 0.783 352 L CB 0.058 42.179 42.059 0.104 0.000 0.955 352 L HN 0.693 nan 8.230 nan 0.000 0.460 353 A N -0.509 122.363 122.820 0.086 0.000 2.549 353 A HA 0.675 4.971 4.320 -0.040 0.000 0.297 353 A C -1.090 176.590 177.584 0.160 0.000 1.061 353 A CA -0.587 51.532 52.037 0.137 0.000 0.690 353 A CB 1.225 20.357 19.000 0.221 0.000 1.287 353 A HN 0.087 nan 8.150 nan 0.000 0.402 354 K N 0.957 121.466 120.400 0.182 0.000 2.561 354 K HA 0.550 4.846 4.320 -0.040 0.000 0.254 354 K C -2.231 174.511 176.600 0.238 0.000 0.942 354 K CA -0.488 55.912 56.287 0.188 0.000 0.818 354 K CB 1.690 34.236 32.500 0.077 0.000 1.306 354 K HN 1.059 nan 8.250 nan 0.000 0.435 355 H N 0.442 119.591 119.070 0.132 0.000 3.099 355 H HA 0.361 4.893 4.556 -0.040 0.000 0.342 355 H C -1.906 173.451 175.328 0.049 0.000 1.054 355 H CA -0.327 55.753 56.048 0.053 0.000 1.328 355 H CB 1.814 31.582 29.762 0.009 0.000 1.876 355 H HN 0.411 nan 8.280 nan 0.000 0.495 356 S N 4.211 119.577 115.700 -0.557 0.000 2.520 356 S HA 0.163 4.609 4.470 -0.040 0.000 0.324 356 S C -0.737 173.422 174.600 -0.734 0.000 1.069 356 S CA -0.655 57.284 58.200 -0.435 0.000 1.121 356 S CB 0.449 63.515 63.200 -0.223 0.000 0.971 356 S HN 0.663 nan 8.310 nan 0.000 0.463 357 D N 2.250 122.306 120.400 -0.573 0.000 2.280 357 D HA 0.294 4.911 4.640 -0.040 0.000 0.243 357 D C 0.987 177.182 176.300 -0.174 0.000 1.129 357 D CA -0.591 53.195 54.000 -0.356 0.000 0.848 357 D CB 0.833 41.613 40.800 -0.033 0.000 1.107 357 D HN 0.261 nan 8.370 nan 0.000 0.471 358 L N 5.615 126.705 121.223 -0.222 0.000 1.976 358 L HA -0.052 4.264 4.340 -0.040 0.000 0.209 358 L C 1.466 178.357 176.870 0.035 0.000 1.071 358 L CA 1.651 56.404 54.840 -0.145 0.000 0.746 358 L CB -0.563 41.335 42.059 -0.269 0.000 0.890 358 L HN 0.606 nan 8.230 nan 0.000 0.432 359 W N 0.063 121.370 121.300 0.011 0.000 2.338 359 W HA -0.169 4.468 4.660 -0.039 0.000 0.304 359 W C 3.010 179.534 176.519 0.008 0.000 1.212 359 W CA 1.753 59.105 57.345 0.012 0.000 1.264 359 W CB -1.853 27.619 29.460 0.019 0.000 1.142 359 W HN 0.573 nan 8.180 nan 0.000 0.512 360 S N -1.186 114.648 115.700 0.224 0.000 2.486 360 S HA 0.296 4.742 4.470 -0.040 0.000 0.220 360 S C 1.808 176.455 174.600 0.078 0.000 1.011 360 S CA 0.876 59.155 58.200 0.133 0.000 0.921 360 S CB -0.063 63.205 63.200 0.113 0.000 0.785 360 S HN 0.447 nan 8.310 nan 0.000 0.517 361 G N 1.208 110.040 108.800 0.054 0.000 2.184 361 G HA2 -0.249 3.687 3.960 -0.040 0.000 0.264 361 G HA3 -0.249 3.687 3.960 -0.040 0.000 0.264 361 G C 0.031 174.938 174.900 0.011 0.000 0.975 361 G CA 0.408 45.522 45.100 0.023 0.000 0.642 361 G HN 0.610 nan 8.290 nan 0.000 0.536 362 I N 1.285 121.866 120.570 0.017 0.000 2.371 362 I HA 0.263 4.410 4.170 -0.040 0.000 0.290 362 I C -0.380 175.742 176.117 0.008 0.000 1.028 362 I CA -0.689 60.628 61.300 0.029 0.000 1.345 362 I CB 0.939 38.970 38.000 0.053 0.000 1.407 362 I HN -0.037 nan 8.210 nan 0.000 0.501 363 N N 6.549 125.266 118.700 0.029 0.000 2.446 363 N HA 0.286 5.003 4.740 -0.040 0.000 0.265 363 N C -1.328 174.250 175.510 0.112 0.000 0.975 363 N CA -0.434 52.629 53.050 0.021 0.000 0.928 363 N CB 1.706 40.186 38.487 -0.011 0.000 1.160 363 N HN 0.454 nan 8.380 nan 0.000 0.495 364 Y N 1.193 121.480 120.300 -0.021 0.000 2.376 364 Y HA 0.506 5.032 4.550 -0.040 0.000 0.340 364 Y C -0.878 175.028 175.900 0.010 0.000 0.965 364 Y CA -0.290 57.815 58.100 0.007 0.000 1.078 364 Y CB 1.596 40.076 38.460 0.034 0.000 1.193 364 Y HN 0.307 nan 8.280 nan 0.000 0.452 365 T N 6.833 121.191 114.554 -0.327 0.000 3.032 365 T HA 0.560 4.886 4.350 -0.040 0.000 0.312 365 T C -1.308 173.151 174.700 -0.402 0.000 1.078 365 T CA -0.992 60.956 62.100 -0.252 0.000 1.028 365 T CB 1.143 69.941 68.868 -0.115 0.000 1.091 365 T HN 0.410 nan 8.240 nan 0.000 0.457 366 R N 1.801 122.135 120.500 -0.277 0.000 2.686 366 R HA 0.554 4.870 4.340 -0.040 0.000 0.283 366 R C -0.451 175.816 176.300 -0.055 0.000 0.978 366 R CA -0.864 55.120 56.100 -0.194 0.000 0.897 366 R CB 2.140 32.335 30.300 -0.175 0.000 1.192 366 R HN 0.545 nan 8.270 nan 0.000 0.457 367 R N 1.162 121.652 120.500 -0.018 0.000 2.486 367 R HA 0.343 4.659 4.340 -0.040 0.000 0.286 367 R C 0.156 176.517 176.300 0.102 0.000 0.999 367 R CA -0.864 55.259 56.100 0.037 0.000 0.993 367 R CB 1.080 31.404 30.300 0.039 0.000 1.084 367 R HN 0.386 nan 8.270 nan 0.000 0.487 368 N N 1.038 119.835 118.700 0.162 0.000 2.476 368 N HA 0.382 5.098 4.740 -0.040 0.000 0.276 368 N C -0.884 174.836 175.510 0.349 0.000 1.204 368 N CA -0.277 52.939 53.050 0.275 0.000 0.974 368 N CB 1.099 39.797 38.487 0.352 0.000 1.204 368 N HN 0.414 nan 8.380 nan 0.000 0.543 369 R N -0.268 120.493 120.500 0.434 0.000 2.680 369 R HA 0.480 4.797 4.340 -0.040 0.000 0.269 369 R C -1.027 175.525 176.300 0.420 0.000 1.026 369 R CA -0.816 55.551 56.100 0.444 0.000 0.889 369 R CB 2.172 32.788 30.300 0.528 0.000 1.241 369 R HN 0.691 nan 8.270 nan 0.000 0.463 370 R N 0.759 121.285 120.500 0.043 0.000 2.621 370 R HA 0.538 4.854 4.340 -0.040 0.000 0.284 370 R C -1.041 174.781 176.300 -0.796 0.000 0.998 370 R CA -1.010 54.789 56.100 -0.503 0.000 0.895 370 R CB 1.534 31.183 30.300 -1.085 0.000 1.195 370 R HN 0.341 nan 8.270 nan 0.000 0.450 371 M N 2.804 121.629 119.600 -1.291 0.000 2.180 371 M HA 0.358 4.814 4.480 -0.040 0.000 0.358 371 M C -1.418 174.386 176.300 -0.827 0.000 1.233 371 M CA -0.607 53.849 55.300 -1.406 0.000 1.114 371 M CB 1.654 33.234 32.600 -1.699 0.000 1.594 371 M HN 0.556 nan 8.290 nan 0.000 0.467 372 V N 7.040 126.513 119.914 -0.735 0.000 2.555 372 V HA 0.579 4.675 4.120 -0.040 0.000 0.302 372 V C -0.503 175.372 176.094 -0.364 0.000 1.038 372 V CA -0.586 61.438 62.300 -0.459 0.000 0.887 372 V CB 1.682 33.216 31.823 -0.482 0.000 0.991 372 V HN 0.799 nan 8.190 nan 0.000 0.434 373 I N 4.441 124.891 120.570 -0.201 0.000 2.468 373 I HA 0.573 4.719 4.170 -0.040 0.000 0.284 373 I C -0.165 175.979 176.117 0.045 0.000 1.038 373 I CA 0.049 61.300 61.300 -0.081 0.000 1.083 373 I CB 1.897 39.845 38.000 -0.087 0.000 1.223 373 I HN 0.782 nan 8.210 nan 0.000 0.443 374 S N 5.592 121.326 115.700 0.056 0.000 2.618 374 S HA 0.879 5.325 4.470 -0.040 0.000 0.277 374 S C -0.883 173.817 174.600 0.168 0.000 1.138 374 S CA -0.717 57.468 58.200 -0.027 0.000 0.844 374 S CB 2.578 65.529 63.200 -0.414 0.000 1.127 374 S HN 0.492 nan 8.310 nan 0.000 0.474 375 F N -1.146 118.761 119.950 -0.073 0.000 2.645 375 F HA 0.886 5.389 4.527 -0.040 0.000 0.310 375 F C -2.137 173.693 175.800 0.050 0.000 1.102 375 F CA -1.719 56.317 58.000 0.060 0.000 0.952 375 F CB 1.015 40.103 39.000 0.146 0.000 1.326 375 F HN 0.596 nan 8.300 nan 0.000 0.456 376 F N 1.241 121.180 119.950 -0.018 0.000 2.518 376 F HA 0.648 5.151 4.527 -0.040 0.000 0.323 376 F C -0.181 175.685 175.800 0.109 0.000 1.129 376 F CA -0.376 57.590 58.000 -0.056 0.000 0.920 376 F CB 2.125 41.146 39.000 0.036 0.000 1.160 376 F HN 0.872 nan 8.300 nan 0.000 0.440 377 T N 2.659 117.317 114.554 0.172 0.000 2.908 377 T HA 0.655 4.981 4.350 -0.040 0.000 0.290 377 T C -0.982 173.921 174.700 0.339 0.000 1.034 377 T CA -0.302 61.995 62.100 0.328 0.000 1.010 377 T CB 1.286 70.346 68.868 0.320 0.000 1.068 377 T HN 0.560 nan 8.240 nan 0.000 0.481 378 T N 3.888 118.636 114.554 0.323 0.000 2.812 378 T HA 0.606 4.933 4.350 -0.040 0.000 0.282 378 T C -0.785 173.992 174.700 0.127 0.000 0.990 378 T CA -0.365 61.854 62.100 0.199 0.000 0.960 378 T CB 0.549 69.509 68.868 0.154 0.000 0.948 378 T HN 0.431 nan 8.240 nan 0.000 0.438 379 I N 3.395 123.989 120.570 0.040 0.000 2.537 379 I HA 0.515 4.661 4.170 -0.040 0.000 0.276 379 I C 1.077 177.059 176.117 -0.226 0.000 1.063 379 I CA 0.049 61.284 61.300 -0.109 0.000 1.144 379 I CB 0.697 38.694 38.000 -0.005 0.000 1.252 379 I HN 0.927 nan 8.210 nan 0.000 0.480 380 G N 5.359 114.010 108.800 -0.250 0.000 2.601 380 G HA2 -0.323 3.614 3.960 -0.040 0.000 0.306 380 G HA3 -0.323 3.614 3.960 -0.040 0.000 0.306 380 G C 0.369 175.173 174.900 -0.160 0.000 1.172 380 G CA 0.440 45.440 45.100 -0.167 0.000 0.966 380 G HN 0.720 nan 8.290 nan 0.000 0.542 384 Y N 0.161 120.438 120.300 -0.038 0.000 2.425 384 Y HA 0.699 5.226 4.550 -0.039 0.000 0.344 384 Y C 0.722 176.017 175.900 -1.009 0.000 0.969 384 Y CA -1.141 56.788 58.100 -0.284 0.000 1.052 384 Y CB 2.541 41.100 38.460 0.165 0.000 1.215 384 Y HN 0.454 nan 8.280 nan 0.000 0.451 385 G N 2.338 110.485 108.800 -1.088 0.000 2.343 385 G HA2 0.572 4.508 3.960 -0.040 0.000 0.319 385 G HA3 0.572 4.508 3.960 -0.040 0.000 0.319 385 G C -1.657 173.014 174.900 -0.380 0.000 1.126 385 G CA -0.345 44.052 45.100 -1.171 0.000 0.889 385 G HN 0.304 nan 8.290 nan 0.000 0.457 386 F N 1.677 121.073 119.950 -0.922 0.000 2.402 386 F HA 0.485 4.987 4.527 -0.040 0.000 0.355 386 F C -0.651 174.745 175.800 -0.674 0.000 1.123 386 F CA -1.289 56.389 58.000 -0.537 0.000 1.021 386 F CB 1.611 40.434 39.000 -0.294 0.000 1.160 386 F HN 0.316 nan 8.300 nan 0.000 0.451 387 Y N 1.495 121.403 120.300 -0.652 0.000 2.350 387 Y HA 0.437 4.963 4.550 -0.040 0.000 0.338 387 Y C -1.024 174.158 175.900 -1.197 0.000 0.961 387 Y CA -1.425 56.207 58.100 -0.779 0.000 1.100 387 Y CB 1.370 39.312 38.460 -0.862 0.000 1.179 387 Y HN 0.508 nan 8.280 nan 0.000 0.454 388 W N 3.375 124.336 121.300 -0.565 0.000 2.529 388 W HA 0.610 5.247 4.660 -0.039 0.000 0.321 388 W C -1.441 174.655 176.519 -0.704 0.000 1.047 388 W CA -0.752 56.291 57.345 -0.502 0.000 1.216 388 W CB 1.154 30.492 29.460 -0.203 0.000 1.357 388 W HN 0.330 nan 8.180 nan 0.000 0.489 389 Y N 3.068 123.261 120.300 -0.177 0.000 2.425 389 Y HA 0.634 5.160 4.550 -0.040 0.000 0.344 389 Y C -0.298 175.276 175.900 -0.543 0.000 0.969 389 Y CA -1.539 56.258 58.100 -0.505 0.000 1.052 389 Y CB 1.172 39.217 38.460 -0.692 0.000 1.215 389 Y HN 0.065 nan 8.280 nan 0.000 0.451 390 L N 4.197 125.071 121.223 -0.581 0.000 2.356 390 L HA 0.535 4.851 4.340 -0.040 0.000 0.277 390 L C -1.189 175.489 176.870 -0.320 0.000 0.996 390 L CA -0.865 53.587 54.840 -0.648 0.000 0.822 390 L CB 1.290 42.677 42.059 -1.121 0.000 1.256 390 L HN 0.599 nan 8.230 nan 0.000 0.413 391 Y N 1.789 122.243 120.300 0.258 0.000 2.496 391 Y HA 0.323 4.850 4.550 -0.040 0.000 0.331 391 Y C 1.185 177.549 175.900 0.773 0.000 1.140 391 Y CA -0.756 57.618 58.100 0.458 0.000 1.166 391 Y CB 1.432 40.049 38.460 0.263 0.000 1.249 391 Y HN 0.433 nan 8.280 nan 0.000 0.479 392 L N 0.716 122.374 121.223 0.726 0.000 2.079 392 L HA -0.216 4.101 4.340 -0.040 0.000 0.210 392 L C 1.735 178.839 176.870 0.391 0.000 1.081 392 L CA 1.843 56.959 54.840 0.460 0.000 0.752 392 L CB -0.322 41.898 42.059 0.269 0.000 0.896 392 L HN 0.784 nan 8.230 nan 0.000 0.433 393 D N -0.539 120.069 120.400 0.346 0.000 2.363 393 D HA -0.027 4.589 4.640 -0.040 0.000 0.226 393 D C 1.389 177.774 176.300 0.141 0.000 1.020 393 D CA 0.941 55.036 54.000 0.158 0.000 0.892 393 D CB 0.335 41.204 40.800 0.115 0.000 0.900 393 D HN 0.368 nan 8.370 nan 0.000 0.531 394 G N -0.366 108.683 108.800 0.415 0.000 2.176 394 G HA2 -0.233 3.704 3.960 -0.040 0.000 0.232 394 G HA3 -0.233 3.704 3.960 -0.040 0.000 0.232 394 G C 0.345 175.706 174.900 0.768 0.000 0.986 394 G CA 0.185 45.565 45.100 0.467 0.000 0.643 394 G HN 0.441 nan 8.290 nan 0.000 0.522 395 T N 1.202 116.135 114.554 0.633 0.000 2.907 395 T HA 0.584 4.911 4.350 -0.040 0.000 0.298 395 T C 0.487 175.543 174.700 0.594 0.000 1.017 395 T CA 0.402 62.816 62.100 0.523 0.000 1.118 395 T CB 1.442 70.450 68.868 0.234 0.000 0.948 395 T HN 0.333 nan 8.240 nan 0.000 0.531 396 I N 2.474 123.316 120.570 0.454 0.000 2.433 396 I HA 0.495 4.641 4.170 -0.040 0.000 0.292 396 I C 0.131 176.395 176.117 0.244 0.000 1.001 396 I CA -0.590 60.872 61.300 0.269 0.000 1.119 396 I CB 1.861 39.988 38.000 0.212 0.000 1.289 396 I HN 0.605 nan 8.210 nan 0.000 0.438 397 E N 5.448 125.749 120.200 0.169 0.000 2.383 397 E HA 0.486 4.812 4.350 -0.040 0.000 0.275 397 E C -2.020 174.416 176.600 -0.274 0.000 0.918 397 E CA -0.654 55.742 56.400 -0.007 0.000 0.764 397 E CB 2.663 32.493 29.700 0.217 0.000 1.252 397 E HN 0.404 nan 8.360 nan 0.000 0.449 398 F N 2.239 121.623 119.950 -0.942 0.000 2.532 398 F HA 0.508 5.011 4.527 -0.040 0.000 0.321 398 F C -1.184 174.064 175.800 -0.919 0.000 1.089 398 F CA -0.554 56.678 58.000 -1.281 0.000 0.926 398 F CB 1.815 39.713 39.000 -1.837 0.000 1.168 398 F HN 0.503 nan 8.300 nan 0.000 0.459 399 E N 4.171 123.222 120.200 -1.915 0.000 2.263 399 E HA 0.690 5.016 4.350 -0.040 0.000 0.268 399 E C -1.916 173.823 176.600 -1.436 0.000 0.884 399 E CA -0.974 54.687 56.400 -1.231 0.000 0.766 399 E CB 1.761 31.183 29.700 -0.464 0.000 1.196 399 E HN 0.852 nan 8.360 nan 0.000 0.416 400 A N 4.604 126.821 122.820 -1.005 0.000 2.288 400 A HA 0.506 4.802 4.320 -0.040 0.000 0.320 400 A C -0.773 176.620 177.584 -0.319 0.000 1.217 400 A CA -0.700 50.893 52.037 -0.740 0.000 0.840 400 A CB 0.749 19.168 19.000 -0.969 0.000 1.179 400 A HN 0.544 nan 8.150 nan 0.000 0.504 401 K N 1.906 122.224 120.400 -0.136 0.000 2.339 401 K HA 0.553 4.849 4.320 -0.040 0.000 0.264 401 K C -0.490 176.154 176.600 0.073 0.000 0.986 401 K CA -0.240 56.048 56.287 0.002 0.000 0.866 401 K CB 1.992 34.551 32.500 0.099 0.000 1.103 401 K HN 0.723 nan 8.250 nan 0.000 0.441 402 A N 2.722 125.601 122.820 0.098 0.000 2.260 402 A HA 0.474 4.770 4.320 -0.040 0.000 0.308 402 A C -0.001 177.586 177.584 0.006 0.000 1.254 402 A CA -0.213 51.856 52.037 0.054 0.000 0.874 402 A CB 1.128 20.141 19.000 0.022 0.000 1.153 402 A HN 0.688 nan 8.150 nan 0.000 0.527 403 T N 1.078 115.597 114.554 -0.058 0.000 2.565 403 T HA 0.829 5.155 4.350 -0.040 0.000 0.266 403 T C 0.472 175.091 174.700 -0.134 0.000 0.905 403 T CA 1.020 63.100 62.100 -0.034 0.000 1.122 403 T CB 0.727 69.633 68.868 0.063 0.000 1.437 403 T HN 2.598 nan 8.240 nan 0.000 0.506 404 G N -0.179 108.539 108.800 -0.137 0.000 2.451 404 G HA2 0.036 3.972 3.960 -0.040 0.000 0.208 404 G HA3 0.036 3.972 3.960 -0.040 0.000 0.208 404 G C -1.210 173.552 174.900 -0.229 0.000 1.248 404 G CA -0.222 44.759 45.100 -0.199 0.000 0.989 404 G HN 1.291 nan 8.290 nan 0.000 0.559 405 V N 1.112 120.849 119.914 -0.295 0.000 2.555 405 V HA 0.639 4.735 4.120 -0.040 0.000 0.302 405 V C 1.119 177.088 176.094 -0.208 0.000 1.038 405 V CA -0.135 62.005 62.300 -0.267 0.000 0.887 405 V CB 1.261 32.846 31.823 -0.397 0.000 0.991 405 V HN 1.709 nan 8.190 nan 0.000 0.434 406 V N 2.014 121.958 119.914 0.051 0.000 2.843 406 V HA 0.341 4.438 4.120 -0.040 0.000 0.305 406 V C -0.186 175.977 176.094 0.115 0.000 1.065 406 V CA -0.221 62.169 62.300 0.151 0.000 1.116 406 V CB 0.246 32.246 31.823 0.296 0.000 0.968 406 V HN 0.636 nan 8.190 nan 0.000 0.487 407 F N 4.636 124.600 119.950 0.023 0.000 2.445 407 F HA 0.521 5.028 4.527 -0.034 0.000 0.359 407 F C 0.983 176.914 175.800 0.218 0.000 1.101 407 F CA 0.179 58.222 58.000 0.072 0.000 1.177 407 F CB 0.702 39.730 39.000 0.046 0.000 1.110 407 F HN 0.985 nan 8.300 nan 0.000 0.522 408 T N 1.862 116.459 114.554 0.072 0.000 2.912 408 T HA 0.798 5.124 4.350 -0.040 0.000 0.280 408 T C -0.082 174.696 174.700 0.130 0.000 0.989 408 T CA -0.255 61.933 62.100 0.146 0.000 0.995 408 T CB 1.609 70.542 68.868 0.108 0.000 1.077 408 T HN 0.697 nan 8.240 nan 0.000 0.531 409 S N -0.513 115.219 115.700 0.054 0.000 2.790 409 S HA 0.792 5.239 4.470 -0.040 0.000 0.292 409 S C -0.725 173.834 174.600 -0.068 0.000 1.197 409 S CA -0.823 57.353 58.200 -0.040 0.000 0.851 409 S CB 0.820 64.005 63.200 -0.024 0.000 1.217 409 S HN 1.372 nan 8.310 nan 0.000 0.526 410 A N 0.387 123.119 122.820 -0.148 0.000 2.293 410 A HA 0.734 5.030 4.320 -0.040 0.000 0.302 410 A C -0.928 176.673 177.584 0.029 0.000 1.119 410 A CA -0.499 51.505 52.037 -0.055 0.000 0.823 410 A CB 0.059 19.009 19.000 -0.083 0.000 1.097 410 A HN 0.919 nan 8.150 nan 0.000 0.491 411 F N 2.894 122.832 119.950 -0.020 0.000 2.404 411 F HA 0.516 5.016 4.527 -0.044 0.000 0.358 411 F C -2.116 173.720 175.800 0.059 0.000 1.120 411 F CA -2.446 55.551 58.000 -0.004 0.000 1.144 411 F CB 0.850 39.841 39.000 -0.015 0.000 1.133 411 F HN 0.309 nan 8.300 nan 0.000 0.495 412 P HA -0.016 nan 4.420 nan 0.000 0.266 412 P C -0.873 176.241 177.300 -0.310 0.000 1.195 412 P CA -0.079 62.855 63.100 -0.278 0.000 0.768 412 P CB 0.468 31.998 31.700 -0.284 0.000 0.838 413 E N 1.439 121.578 120.200 -0.102 0.000 2.344 413 E HA 0.290 4.617 4.350 -0.040 0.000 0.270 413 E C 0.937 177.489 176.600 -0.080 0.000 1.021 413 E CA 0.464 56.834 56.400 -0.050 0.000 0.887 413 E CB -0.276 29.405 29.700 -0.031 0.000 0.997 413 E HN 0.739 nan 8.360 nan 0.000 0.429 414 G N 2.731 111.506 108.800 -0.040 0.000 2.176 414 G HA2 -0.189 3.747 3.960 -0.040 0.000 0.232 414 G HA3 -0.189 3.747 3.960 -0.040 0.000 0.232 414 G C 0.629 175.494 174.900 -0.058 0.000 0.986 414 G CA -0.043 45.035 45.100 -0.036 0.000 0.643 414 G HN 1.419 nan 8.290 nan 0.000 0.522 415 G N -1.443 107.267 108.800 -0.150 0.000 2.681 415 G HA2 0.377 4.313 3.960 -0.040 0.000 0.220 415 G HA3 0.377 4.313 3.960 -0.040 0.000 0.220 415 G C -0.093 174.604 174.900 -0.338 0.000 1.353 415 G CA 0.954 45.932 45.100 -0.203 0.000 0.872 415 G HN 2.242 nan 8.290 nan 0.000 0.557 416 S N -1.483 114.113 115.700 -0.174 0.000 2.542 416 S HA 0.565 5.011 4.470 -0.040 0.000 0.276 416 S C -0.190 174.387 174.600 -0.038 0.000 1.148 416 S CA 0.459 58.565 58.200 -0.157 0.000 0.886 416 S CB 1.701 64.733 63.200 -0.280 0.000 1.109 416 S HN 0.610 nan 8.310 nan 0.000 0.458 417 D N 2.408 122.782 120.400 -0.042 0.000 2.349 417 D HA 0.165 4.782 4.640 -0.040 0.000 0.215 417 D C 0.410 176.700 176.300 -0.016 0.000 1.016 417 D CA 0.627 54.644 54.000 0.027 0.000 0.870 417 D CB 0.007 40.830 40.800 0.038 0.000 0.917 417 D HN 0.613 nan 8.370 nan 0.000 0.524 418 N N -0.646 117.888 118.700 -0.276 0.000 2.184 418 N HA 0.274 4.990 4.740 -0.040 0.000 0.234 418 N C -0.407 174.427 175.510 -1.127 0.000 1.282 418 N CA -0.023 52.669 53.050 -0.596 0.000 0.877 418 N CB 1.673 40.041 38.487 -0.199 0.000 1.184 418 N HN -0.009 nan 8.380 nan 0.000 0.510 419 I N 0.206 120.224 120.570 -0.921 0.000 2.752 419 I HA 0.336 4.482 4.170 -0.040 0.000 0.295 419 I C -0.866 175.271 176.117 0.033 0.000 1.219 419 I CA -0.980 60.051 61.300 -0.447 0.000 1.030 419 I CB 2.262 40.205 38.000 -0.095 0.000 1.259 419 I HN -0.060 nan 8.210 nan 0.000 0.423 420 S N 3.431 119.294 115.700 0.272 0.000 2.537 420 S HA 0.536 4.982 4.470 -0.040 0.000 0.301 420 S C -0.777 173.821 174.600 -0.003 0.000 1.092 420 S CA -0.819 57.559 58.200 0.298 0.000 1.048 420 S CB 2.075 65.524 63.200 0.414 0.000 1.053 420 S HN 0.667 nan 8.310 nan 0.000 0.501 421 Q N 1.054 120.526 119.800 -0.546 0.000 2.267 421 Q HA 0.440 4.756 4.340 -0.040 0.000 0.255 421 Q C -0.178 175.626 176.000 -0.326 0.000 0.923 421 Q CA -0.474 54.873 55.803 -0.760 0.000 0.925 421 Q CB 0.678 28.581 28.738 -1.392 0.000 1.195 421 Q HN 0.868 nan 8.270 nan 0.000 0.417 422 L N 2.276 123.339 121.223 -0.268 0.000 2.537 422 L HA 0.527 4.843 4.340 -0.040 0.000 0.224 422 L C 0.350 177.089 176.870 -0.219 0.000 1.065 422 L CA 0.156 54.871 54.840 -0.208 0.000 0.860 422 L CB 0.554 42.416 42.059 -0.329 0.000 1.086 422 L HN 0.656 nan 8.230 nan 0.000 0.482 423 A N -1.097 121.558 122.820 -0.275 0.000 2.564 423 A HA 0.633 4.929 4.320 -0.040 0.000 0.291 423 A C -2.766 174.740 177.584 -0.130 0.000 1.102 423 A CA -0.997 50.940 52.037 -0.168 0.000 0.660 423 A CB 0.329 19.205 19.000 -0.206 0.000 1.283 423 A HN -0.241 nan 8.150 nan 0.000 0.430 424 P HA 0.302 nan 4.420 nan 0.000 0.261 424 P C 1.007 178.312 177.300 0.009 0.000 1.203 424 P CA 2.299 65.392 63.100 -0.012 0.000 0.767 424 P CB 0.415 32.125 31.700 0.016 0.000 0.785 425 G N 2.357 111.190 108.800 0.056 0.000 2.220 425 G HA2 -0.285 3.651 3.960 -0.040 0.000 0.269 425 G HA3 -0.285 3.651 3.960 -0.040 0.000 0.269 425 G C -0.111 174.840 174.900 0.086 0.000 0.977 425 G CA -0.073 45.092 45.100 0.108 0.000 0.634 425 G HN 0.560 nan 8.290 nan 0.000 0.539 426 L N 1.728 122.937 121.223 -0.023 0.000 2.275 426 L HA 0.780 5.096 4.340 -0.040 0.000 0.288 426 L C 0.730 177.560 176.870 -0.067 0.000 1.046 426 L CA 0.244 55.014 54.840 -0.116 0.000 0.805 426 L CB 1.192 43.038 42.059 -0.356 0.000 1.193 426 L HN 0.382 nan 8.230 nan 0.000 0.426 427 G N 3.259 112.076 108.800 0.028 0.000 2.568 427 G HA2 0.777 4.713 3.960 -0.040 0.000 0.313 427 G HA3 0.777 4.713 3.960 -0.040 0.000 0.313 427 G C -1.660 173.294 174.900 0.090 0.000 1.227 427 G CA -0.331 44.856 45.100 0.145 0.000 0.979 427 G HN 0.942 nan 8.290 nan 0.000 0.486 428 A N 1.302 124.226 122.820 0.173 0.000 2.569 428 A HA 0.747 5.043 4.320 -0.040 0.000 0.282 428 A C -2.864 174.917 177.584 0.328 0.000 1.165 428 A CA -1.290 50.901 52.037 0.257 0.000 0.747 428 A CB 1.585 20.746 19.000 0.268 0.000 1.215 428 A HN 0.401 nan 8.150 nan 0.000 0.431 429 P HA 0.218 nan 4.420 nan 0.000 0.268 429 P C -0.375 177.244 177.300 0.532 0.000 1.205 429 P CA 0.158 63.433 63.100 0.291 0.000 0.771 429 P CB 0.182 32.081 31.700 0.332 0.000 0.858 430 F N 3.330 123.439 119.950 0.265 0.000 2.506 430 F HA 0.220 4.725 4.527 -0.038 0.000 0.351 430 F C 1.626 177.403 175.800 -0.039 0.000 1.136 430 F CA 0.452 58.516 58.000 0.107 0.000 1.298 430 F CB -0.446 38.641 39.000 0.145 0.000 1.145 430 F HN 0.499 nan 8.300 nan 0.000 0.593 431 H N -0.184 118.779 119.070 -0.177 0.000 2.932 431 H HA 0.514 5.046 4.556 -0.039 0.000 0.307 431 H C -1.821 173.188 175.328 -0.531 0.000 1.391 431 H CA -1.114 54.584 56.048 -0.584 0.000 1.130 431 H CB 1.428 30.427 29.762 -1.273 0.000 1.836 431 H HN 0.590 nan 8.280 nan 0.000 0.522 432 Q N 0.168 119.640 119.800 -0.547 0.000 2.484 432 Q HA 0.385 4.702 4.340 -0.040 0.000 0.285 432 Q C -1.085 174.576 176.000 -0.565 0.000 1.097 432 Q CA -1.001 54.495 55.803 -0.511 0.000 0.802 432 Q CB 2.961 31.479 28.738 -0.367 0.000 1.444 432 Q HN 0.545 nan 8.270 nan 0.000 0.429 433 H N 1.322 120.221 119.070 -0.284 0.000 2.887 433 H HA 0.428 4.960 4.556 -0.040 0.000 0.300 433 H C -0.864 174.276 175.328 -0.313 0.000 1.038 433 H CA -0.221 55.657 56.048 -0.283 0.000 1.352 433 H CB 0.690 30.369 29.762 -0.139 0.000 1.473 433 H HN 0.439 nan 8.280 nan 0.000 0.503 434 I N 3.980 124.354 120.570 -0.327 0.000 2.378 434 I HA 0.232 4.378 4.170 -0.040 0.000 0.291 434 I C -0.464 175.442 176.117 -0.351 0.000 0.992 434 I CA -0.575 60.572 61.300 -0.256 0.000 1.154 434 I CB 0.902 38.744 38.000 -0.263 0.000 1.315 434 I HN 0.184 nan 8.210 nan 0.000 0.448 435 F N 3.178 122.841 119.950 -0.478 0.000 2.483 435 F HA 0.528 5.031 4.527 -0.039 0.000 0.329 435 F C 0.601 176.164 175.800 -0.396 0.000 1.064 435 F CA -0.869 56.785 58.000 -0.577 0.000 0.986 435 F CB 1.731 40.005 39.000 -1.210 0.000 1.218 435 F HN 0.258 nan 8.300 nan 0.000 0.484 436 S N 1.021 116.719 115.700 -0.003 0.000 2.756 436 S HA 0.767 5.213 4.470 -0.040 0.000 0.303 436 S C -0.982 173.696 174.600 0.130 0.000 1.135 436 S CA -0.536 57.701 58.200 0.061 0.000 1.066 436 S CB 0.477 63.533 63.200 -0.241 0.000 1.008 436 S HN 0.840 nan 8.310 nan 0.000 0.482 437 A N 4.843 127.803 122.820 0.233 0.000 2.276 437 A HA 0.615 4.912 4.320 -0.040 0.000 0.300 437 A C 0.151 177.762 177.584 0.045 0.000 1.235 437 A CA -0.641 51.501 52.037 0.176 0.000 0.867 437 A CB 0.373 19.453 19.000 0.133 0.000 1.137 437 A HN 0.834 nan 8.150 nan 0.000 0.527 438 R N 3.478 123.943 120.500 -0.058 0.000 2.215 438 R HA 0.511 4.827 4.340 -0.040 0.000 0.336 438 R C -1.527 174.587 176.300 -0.311 0.000 0.996 438 R CA -0.329 55.541 56.100 -0.383 0.000 0.847 438 R CB 0.267 30.223 30.300 -0.573 0.000 1.127 438 R HN 0.725 nan 8.270 nan 0.000 0.465 439 L N 4.506 125.537 121.223 -0.320 0.000 2.313 439 L HA 0.248 4.564 4.340 -0.040 0.000 0.273 439 L C -0.425 176.320 176.870 -0.208 0.000 1.028 439 L CA -0.834 53.892 54.840 -0.190 0.000 0.871 439 L CB 1.398 43.409 42.059 -0.081 0.000 1.242 439 L HN 0.525 nan 8.230 nan 0.000 0.434 440 D N 4.766 125.053 120.400 -0.188 0.000 2.359 440 D HA 0.153 4.770 4.640 -0.040 0.000 0.250 440 D C 0.137 176.411 176.300 -0.043 0.000 1.264 440 D CA -0.205 53.734 54.000 -0.102 0.000 0.911 440 D CB 0.606 41.366 40.800 -0.068 0.000 1.056 440 D HN 0.135 nan 8.370 nan 0.000 0.499 441 M N 2.467 122.057 119.600 -0.015 0.000 2.238 441 M HA 0.359 4.815 4.480 -0.040 0.000 0.347 441 M C 0.342 176.645 176.300 0.006 0.000 1.173 441 M CA -0.446 54.846 55.300 -0.013 0.000 1.147 441 M CB 0.810 33.414 32.600 0.007 0.000 1.547 441 M HN 0.481 nan 8.290 nan 0.000 0.455 442 A N 4.040 126.793 122.820 -0.112 0.000 3.292 442 A HA 0.392 4.688 4.320 -0.040 0.000 0.231 442 A C -0.289 177.183 177.584 -0.188 0.000 0.952 442 A CA -0.538 51.332 52.037 -0.279 0.000 1.044 442 A CB 0.103 18.769 19.000 -0.557 0.000 1.236 442 A HN 0.626 nan 8.150 nan 0.000 0.525 443 I N 1.690 122.216 120.570 -0.073 0.000 2.691 443 I HA 0.037 4.183 4.170 -0.040 0.000 0.288 443 I C 0.287 176.450 176.117 0.076 0.000 1.143 443 I CA 0.857 62.181 61.300 0.039 0.000 1.364 443 I CB -1.117 36.949 38.000 0.109 0.000 1.435 443 I HN 0.475 nan 8.210 nan 0.000 0.551 444 D N 5.031 125.502 120.400 0.118 0.000 2.772 444 D HA -0.151 4.466 4.640 -0.040 0.000 0.233 444 D C 0.673 176.930 176.300 -0.072 0.000 1.143 444 D CA 1.643 55.659 54.000 0.027 0.000 0.700 444 D CB -0.743 40.044 40.800 -0.022 0.000 1.076 444 D HN 1.115 nan 8.370 nan 0.000 0.430 445 G N -2.025 106.667 108.800 -0.181 0.000 2.408 445 G HA2 -0.119 3.817 3.960 -0.040 0.000 0.682 445 G HA3 -0.119 3.817 3.960 -0.040 0.000 0.682 445 G C 0.317 175.022 174.900 -0.325 0.000 1.303 445 G CA -0.373 44.548 45.100 -0.299 0.000 0.966 445 G HN 0.052 nan 8.290 nan 0.000 0.560 446 F N 0.737 120.676 119.950 -0.019 0.000 2.661 446 F HA 0.198 4.702 4.527 -0.040 0.000 0.298 446 F C 2.285 178.080 175.800 -0.008 0.000 1.137 446 F CA 1.238 59.220 58.000 -0.030 0.000 1.454 446 F CB 0.153 39.118 39.000 -0.057 0.000 1.103 446 F HN 0.305 nan 8.300 nan 0.000 0.577 447 T N 2.634 117.269 114.554 0.136 0.000 2.987 447 T HA 0.159 4.485 4.350 -0.040 0.000 0.288 447 T C -0.055 174.692 174.700 0.079 0.000 0.981 447 T CA -0.168 61.992 62.100 0.099 0.000 1.031 447 T CB -0.502 68.407 68.868 0.069 0.000 0.976 447 T HN -0.005 nan 8.240 nan 0.000 0.612 448 N N 2.716 121.471 118.700 0.091 0.000 2.453 448 N HA 0.716 5.432 4.740 -0.040 0.000 0.290 448 N C -0.153 175.406 175.510 0.083 0.000 1.250 448 N CA -1.030 52.069 53.050 0.082 0.000 0.815 448 N CB 2.091 40.628 38.487 0.083 0.000 1.381 448 N HN 0.620 nan 8.380 nan 0.000 0.510 449 R N -1.762 118.788 120.500 0.082 0.000 2.734 449 R HA 0.786 5.102 4.340 -0.040 0.000 0.271 449 R C -1.828 174.529 176.300 0.095 0.000 1.021 449 R CA -0.866 55.284 56.100 0.084 0.000 0.893 449 R CB 0.735 31.079 30.300 0.073 0.000 1.244 449 R HN 0.188 nan 8.270 nan 0.000 0.464 450 V N 0.854 120.830 119.914 0.105 0.000 2.656 450 V HA 0.446 4.542 4.120 -0.040 0.000 0.307 450 V C -0.735 175.442 176.094 0.138 0.000 1.051 450 V CA -0.738 61.640 62.300 0.130 0.000 0.893 450 V CB 1.952 33.858 31.823 0.139 0.000 0.999 450 V HN 0.778 nan 8.190 nan 0.000 0.426 451 E N 2.094 122.384 120.200 0.149 0.000 2.238 451 E HA 0.448 4.774 4.350 -0.040 0.000 0.267 451 E C -1.026 175.662 176.600 0.146 0.000 0.887 451 E CA -0.690 55.784 56.400 0.124 0.000 0.769 451 E CB 2.876 32.618 29.700 0.070 0.000 1.187 451 E HN 0.728 nan 8.360 nan 0.000 0.416 452 E N 2.557 122.829 120.200 0.120 0.000 2.167 452 E HA 0.064 4.391 4.350 -0.040 0.000 0.284 452 E C -0.990 175.534 176.600 -0.126 0.000 1.016 452 E CA -0.247 56.140 56.400 -0.021 0.000 0.817 452 E CB 0.866 30.617 29.700 0.086 0.000 1.080 452 E HN 0.391 nan 8.360 nan 0.000 0.397 453 E N 4.421 124.476 120.200 -0.242 0.000 2.113 453 E HA 0.163 4.490 4.350 -0.040 0.000 0.273 453 E C -1.228 175.253 176.600 -0.200 0.000 0.924 453 E CA -0.787 55.512 56.400 -0.169 0.000 0.764 453 E CB 0.888 30.509 29.700 -0.131 0.000 1.104 453 E HN 0.433 nan 8.360 nan 0.000 0.406 454 D N 2.560 122.886 120.400 -0.124 0.000 2.252 454 D HA 0.252 4.869 4.640 -0.040 0.000 0.245 454 D C -0.448 175.823 176.300 -0.049 0.000 1.009 454 D CA -0.553 53.385 54.000 -0.104 0.000 0.870 454 D CB 2.141 42.895 40.800 -0.077 0.000 1.251 454 D HN 0.155 nan 8.370 nan 0.000 0.460 455 V N 1.462 121.352 119.914 -0.041 0.000 2.811 455 V HA 0.189 4.285 4.120 -0.040 0.000 0.302 455 V C 0.200 176.302 176.094 0.014 0.000 1.063 455 V CA -0.237 62.064 62.300 0.003 0.000 1.088 455 V CB 1.432 33.231 31.823 -0.039 0.000 0.982 455 V HN 0.254 nan 8.190 nan 0.000 0.485 456 V N 6.012 125.965 119.914 0.064 0.000 2.407 456 V HA 0.443 4.539 4.120 -0.040 0.000 0.291 456 V C 0.204 176.351 176.094 0.088 0.000 1.018 456 V CA -0.794 61.539 62.300 0.055 0.000 0.842 456 V CB 1.531 33.382 31.823 0.047 0.000 0.996 456 V HN 0.801 nan 8.190 nan 0.000 0.426 457 R N 3.462 123.992 120.500 0.051 0.000 2.459 457 R HA 0.554 4.870 4.340 -0.040 0.000 0.281 457 R C -0.503 175.833 176.300 0.060 0.000 1.050 457 R CA -0.445 55.692 56.100 0.061 0.000 1.055 457 R CB 1.145 31.456 30.300 0.018 0.000 1.045 457 R HN 0.683 nan 8.270 nan 0.000 0.495 458 Q N 0.484 120.327 119.800 0.073 0.000 2.345 458 Q HA 0.309 4.625 4.340 -0.040 0.000 0.268 458 Q C -0.781 175.242 176.000 0.038 0.000 1.054 458 Q CA -0.759 55.074 55.803 0.049 0.000 0.835 458 Q CB 2.532 31.299 28.738 0.049 0.000 1.339 458 Q HN 0.456 nan 8.270 nan 0.000 0.447 459 T N 1.998 116.567 114.554 0.025 0.000 2.856 459 T HA 0.254 4.580 4.350 -0.040 0.000 0.292 459 T C 0.036 174.746 174.700 0.017 0.000 0.980 459 T CA -0.430 61.681 62.100 0.019 0.000 1.091 459 T CB 0.512 69.388 68.868 0.013 0.000 0.936 459 T HN 0.461 nan 8.240 nan 0.000 0.503 460 M N 3.244 122.854 119.600 0.016 0.000 2.238 460 M HA 0.443 4.899 4.480 -0.040 0.000 0.350 460 M C 0.463 176.769 176.300 0.009 0.000 1.321 460 M CA 0.835 56.143 55.300 0.014 0.000 1.097 460 M CB -0.496 32.111 32.600 0.013 0.000 1.713 460 M HN 0.928 nan 8.290 nan 0.000 0.455 461 G N 4.678 113.483 108.800 0.007 0.000 2.367 461 G HA2 0.217 4.154 3.960 -0.040 0.000 0.272 461 G HA3 0.217 4.154 3.960 -0.040 0.000 0.272 461 G C -3.381 171.521 174.900 0.003 0.000 1.271 461 G CA -1.081 44.022 45.100 0.005 0.000 0.893 461 G HN 0.417 nan 8.290 nan 0.000 0.485 462 P HA 0.322 nan 4.420 nan 0.000 0.261 462 P C 0.971 178.271 177.300 -0.001 0.000 1.183 462 P CA 2.321 65.421 63.100 0.000 0.000 0.761 462 P CB 0.709 32.409 31.700 0.000 0.000 0.785 463 G N 3.003 111.802 108.800 -0.002 0.000 2.225 463 G HA2 -0.266 3.670 3.960 -0.040 0.000 0.254 463 G HA3 -0.266 3.670 3.960 -0.040 0.000 0.254 463 G C 0.520 175.416 174.900 -0.006 0.000 0.988 463 G CA 0.266 45.363 45.100 -0.005 0.000 0.625 463 G HN 0.643 nan 8.290 nan 0.000 0.527 464 N N 0.264 118.963 118.700 -0.002 0.000 2.636 464 N HA 0.385 5.101 4.740 -0.040 0.000 0.287 464 N C 1.000 176.513 175.510 0.004 0.000 1.817 464 N CA 0.402 53.453 53.050 0.001 0.000 0.842 464 N CB 0.495 38.986 38.487 0.006 0.000 1.353 464 N HN 0.177 nan 8.380 nan 0.000 0.500 465 E N 0.084 120.286 120.200 0.002 0.000 2.160 465 E HA -0.055 4.271 4.350 -0.040 0.000 0.195 465 E C 1.143 177.746 176.600 0.006 0.000 0.991 465 E CA 1.255 57.657 56.400 0.003 0.000 0.810 465 E CB 0.099 29.800 29.700 0.001 0.000 0.742 465 E HN 0.396 nan 8.360 nan 0.000 0.466 466 R N -0.538 119.966 120.500 0.007 0.000 2.310 466 R HA 0.148 4.464 4.340 -0.040 0.000 0.202 466 R C 0.685 176.994 176.300 0.016 0.000 0.933 466 R CA 0.480 56.586 56.100 0.010 0.000 1.054 466 R CB 0.251 30.557 30.300 0.009 0.000 0.985 466 R HN 0.222 nan 8.270 nan 0.000 0.489 467 G N 2.425 111.235 108.800 0.018 0.000 2.323 467 G HA2 -0.340 3.596 3.960 -0.040 0.000 0.292 467 G HA3 -0.340 3.596 3.960 -0.040 0.000 0.292 467 G C 0.199 175.123 174.900 0.041 0.000 1.040 467 G CA 0.971 46.087 45.100 0.026 0.000 0.942 467 G HN 0.697 nan 8.290 nan 0.000 0.506 468 N N -1.164 117.562 118.700 0.043 0.000 2.273 468 N HA 0.510 5.227 4.740 -0.040 0.000 0.192 468 N C 1.248 176.816 175.510 0.097 0.000 1.132 468 N CA 0.587 53.678 53.050 0.068 0.000 0.887 468 N CB 0.382 38.895 38.487 0.044 0.000 1.048 468 N HN 0.844 nan 8.380 nan 0.000 0.490 469 A N 0.686 123.535 122.820 0.049 0.000 2.498 469 A HA 0.429 4.726 4.320 -0.040 0.000 0.239 469 A C -0.526 177.129 177.584 0.118 0.000 1.068 469 A CA -0.099 51.943 52.037 0.007 0.000 0.766 469 A CB -0.366 18.625 19.000 -0.016 0.000 1.003 469 A HN 0.512 nan 8.150 nan 0.000 0.497 470 F N 0.184 120.128 119.950 -0.009 0.000 2.641 470 F HA 0.789 5.292 4.527 -0.039 0.000 0.308 470 F C -0.327 175.466 175.800 -0.012 0.000 1.105 470 F CA -0.411 57.582 58.000 -0.011 0.000 0.964 470 F CB 0.925 39.918 39.000 -0.012 0.000 1.294 470 F HN 0.612 nan 8.300 nan 0.000 0.442 471 S N 1.066 116.882 115.700 0.194 0.000 3.331 471 S HA 0.898 5.345 4.470 -0.040 0.000 0.316 471 S C -1.459 173.224 174.600 0.138 0.000 1.104 471 S CA -0.765 57.478 58.200 0.073 0.000 0.977 471 S CB 1.459 64.671 63.200 0.019 0.000 1.370 471 S HN 1.082 nan 8.310 nan 0.000 0.731 472 R N 0.358 120.895 120.500 0.063 0.000 2.710 472 R HA 0.663 4.979 4.340 -0.040 0.000 0.270 472 R C -1.885 174.424 176.300 0.015 0.000 1.021 472 R CA -1.080 55.046 56.100 0.044 0.000 0.889 472 R CB 1.195 31.519 30.300 0.039 0.000 1.243 472 R HN 0.667 nan 8.270 nan 0.000 0.464 473 K N 1.273 121.673 120.400 0.000 0.000 2.426 473 K HA 0.598 4.895 4.320 -0.040 0.000 0.251 473 K C -1.115 175.476 176.600 -0.015 0.000 0.941 473 K CA -1.169 55.116 56.287 -0.004 0.000 0.808 473 K CB 2.732 35.231 32.500 -0.002 0.000 1.265 473 K HN 0.612 nan 8.250 nan 0.000 0.432 474 R N 1.167 121.663 120.500 -0.006 0.000 2.513 474 R HA 0.353 4.669 4.340 -0.040 0.000 0.301 474 R C -1.195 175.112 176.300 0.012 0.000 0.968 474 R CA -0.879 55.219 56.100 -0.003 0.000 0.872 474 R CB 2.556 32.858 30.300 0.004 0.000 1.177 474 R HN 0.667 nan 8.270 nan 0.000 0.444 475 T N 2.459 117.025 114.554 0.021 0.000 2.791 475 T HA 0.222 4.549 4.350 -0.040 0.000 0.288 475 T C 0.049 174.783 174.700 0.057 0.000 0.999 475 T CA -0.578 61.544 62.100 0.035 0.000 0.952 475 T CB 1.494 70.384 68.868 0.037 0.000 0.938 475 T HN 0.139 nan 8.240 nan 0.000 0.444 476 V N 5.125 125.071 119.914 0.053 0.000 2.637 476 V HA 0.205 4.301 4.120 -0.040 0.000 0.296 476 V C 0.361 176.497 176.094 0.070 0.000 1.046 476 V CA -0.438 61.900 62.300 0.064 0.000 1.066 476 V CB 0.478 32.332 31.823 0.052 0.000 0.968 476 V HN 0.717 nan 8.190 nan 0.000 0.483 477 L N 5.436 126.710 121.223 0.085 0.000 2.261 477 L HA 0.285 4.601 4.340 -0.040 0.000 0.289 477 L C 1.420 178.332 176.870 0.071 0.000 1.059 477 L CA -0.126 54.762 54.840 0.080 0.000 0.816 477 L CB 1.131 43.247 42.059 0.096 0.000 1.191 477 L HN 0.916 nan 8.230 nan 0.000 0.431 478 T N -0.560 114.030 114.554 0.059 0.000 3.040 478 T HA 0.193 4.519 4.350 -0.040 0.000 0.252 478 T C 0.967 175.700 174.700 0.055 0.000 1.064 478 T CA 0.029 62.161 62.100 0.054 0.000 1.110 478 T CB 0.378 69.272 68.868 0.044 0.000 0.921 478 T HN 0.311 nan 8.240 nan 0.000 0.480 479 R N 0.614 121.146 120.500 0.054 0.000 2.795 479 R HA 0.437 4.753 4.340 -0.040 0.000 0.275 479 R C 0.519 176.855 176.300 0.061 0.000 0.981 479 R CA -0.521 55.611 56.100 0.054 0.000 0.917 479 R CB 1.643 31.969 30.300 0.043 0.000 1.202 479 R HN 0.232 nan 8.270 nan 0.000 0.469 480 E N 0.332 120.575 120.200 0.071 0.000 2.209 480 E HA -0.156 4.171 4.350 -0.040 0.000 0.196 480 E C 1.210 177.850 176.600 0.066 0.000 0.993 480 E CA 1.807 58.259 56.400 0.086 0.000 0.819 480 E CB 0.163 29.924 29.700 0.103 0.000 0.745 480 E HN 0.586 nan 8.360 nan 0.000 0.477 481 S N 0.393 116.123 115.700 0.050 0.000 2.547 481 S HA -0.097 4.350 4.470 -0.040 0.000 0.235 481 S C 1.177 175.785 174.600 0.014 0.000 0.980 481 S CA 0.713 58.932 58.200 0.032 0.000 0.941 481 S CB -0.067 63.150 63.200 0.029 0.000 0.763 481 S HN 0.256 nan 8.310 nan 0.000 0.532 482 E N 0.159 120.371 120.200 0.019 0.000 2.630 482 E HA 0.399 4.725 4.350 -0.040 0.000 0.218 482 E C 0.766 177.369 176.600 0.006 0.000 0.977 482 E CA 0.246 56.653 56.400 0.011 0.000 1.038 482 E CB 0.741 30.457 29.700 0.027 0.000 1.051 482 E HN 0.534 nan 8.360 nan 0.000 0.487 483 A N 1.156 123.980 122.820 0.007 0.000 2.507 483 A HA 0.248 4.544 4.320 -0.040 0.000 0.270 483 A C 0.272 177.799 177.584 -0.095 0.000 1.318 483 A CA -0.089 51.950 52.037 0.004 0.000 0.924 483 A CB 0.170 19.211 19.000 0.069 0.000 1.061 483 A HN 0.031 nan 8.150 nan 0.000 0.516 484 V N 2.673 122.462 119.914 -0.210 0.000 2.293 484 V HA 0.383 4.479 4.120 -0.040 0.000 0.275 484 V C -0.509 175.348 176.094 -0.395 0.000 1.021 484 V CA -0.755 61.225 62.300 -0.534 0.000 0.815 484 V CB 0.558 31.966 31.823 -0.692 0.000 1.025 484 V HN 0.466 nan 8.190 nan 0.000 0.448 485 R N 3.349 123.627 120.500 -0.370 0.000 2.732 485 R HA 0.648 4.964 4.340 -0.040 0.000 0.278 485 R C -0.078 176.164 176.300 -0.096 0.000 0.976 485 R CA -0.680 55.339 56.100 -0.134 0.000 0.963 485 R CB 2.071 32.404 30.300 0.056 0.000 1.150 485 R HN 0.890 nan 8.270 nan 0.000 0.478 486 E N 0.522 120.772 120.200 0.084 0.000 2.249 486 E HA 0.718 5.044 4.350 -0.040 0.000 0.263 486 E C -0.803 175.998 176.600 0.334 0.000 0.950 486 E CA -1.122 55.358 56.400 0.133 0.000 0.827 486 E CB 1.600 31.337 29.700 0.061 0.000 1.220 486 E HN 0.527 nan 8.360 nan 0.000 0.411 487 A N 1.082 124.092 122.820 0.317 0.000 2.332 487 A HA 0.289 4.585 4.320 -0.040 0.000 0.258 487 A C -0.333 177.343 177.584 0.154 0.000 1.087 487 A CA -0.172 52.063 52.037 0.330 0.000 0.802 487 A CB 0.419 19.604 19.000 0.308 0.000 1.042 487 A HN 0.700 nan 8.150 nan 0.000 0.489 488 D N 0.101 120.545 120.400 0.074 0.000 2.668 488 D HA 0.414 5.030 4.640 -0.040 0.000 0.247 488 D C 0.735 177.034 176.300 -0.003 0.000 1.268 488 D CA 0.285 54.299 54.000 0.023 0.000 0.842 488 D CB 0.599 41.395 40.800 -0.006 0.000 1.399 488 D HN 0.478 nan 8.370 nan 0.000 0.530 489 A N 2.706 125.542 122.820 0.026 0.000 1.940 489 A HA -0.188 4.108 4.320 -0.040 0.000 0.219 489 A C 2.093 179.671 177.584 -0.010 0.000 1.176 489 A CA 1.404 53.452 52.037 0.018 0.000 0.631 489 A CB -0.255 18.770 19.000 0.041 0.000 0.814 489 A HN 0.497 nan 8.150 nan 0.000 0.446 490 R N -0.277 120.217 120.500 -0.010 0.000 2.105 490 R HA -0.135 4.181 4.340 -0.040 0.000 0.239 490 R C 1.575 177.849 176.300 -0.043 0.000 1.135 490 R CA 1.932 58.017 56.100 -0.024 0.000 0.967 490 R CB -0.360 29.930 30.300 -0.016 0.000 0.861 490 R HN 0.624 nan 8.270 nan 0.000 0.442 491 T N -3.235 111.291 114.554 -0.046 0.000 3.223 491 T HA 0.243 4.569 4.350 -0.040 0.000 0.259 491 T C 0.844 175.498 174.700 -0.078 0.000 1.015 491 T CA 0.181 62.244 62.100 -0.061 0.000 0.908 491 T CB 0.724 69.559 68.868 -0.055 0.000 1.054 491 T HN 0.376 nan 8.240 nan 0.000 0.567 492 G N 2.448 111.205 108.800 -0.072 0.000 2.341 492 G HA2 -0.360 3.576 3.960 -0.040 0.000 0.292 492 G HA3 -0.360 3.576 3.960 -0.040 0.000 0.292 492 G C 0.086 174.908 174.900 -0.130 0.000 1.021 492 G CA 0.274 45.331 45.100 -0.073 0.000 0.905 492 G HN 0.923 nan 8.290 nan 0.000 0.508 493 R N 0.558 120.943 120.500 -0.191 0.000 2.502 493 R HA 0.389 4.705 4.340 -0.040 0.000 0.292 493 R C 0.870 176.804 176.300 -0.610 0.000 0.998 493 R CA 1.089 56.955 56.100 -0.390 0.000 1.056 493 R CB 0.176 30.237 30.300 -0.398 0.000 0.939 493 R HN 0.473 nan 8.270 nan 0.000 0.411 494 T N 0.802 114.909 114.554 -0.745 0.000 2.804 494 T HA 0.546 4.872 4.350 -0.040 0.000 0.290 494 T C -1.044 173.123 174.700 -0.888 0.000 1.099 494 T CA -0.975 60.696 62.100 -0.715 0.000 1.011 494 T CB 1.253 69.895 68.868 -0.376 0.000 1.291 494 T HN 0.568 nan 8.240 nan 0.000 0.523 495 W N 0.514 121.759 121.300 -0.090 0.000 2.781 495 W HA 0.597 5.233 4.660 -0.040 0.000 0.333 495 W C -1.235 175.255 176.519 -0.049 0.000 1.047 495 W CA -1.148 56.167 57.345 -0.051 0.000 1.236 495 W CB 1.666 31.103 29.460 -0.038 0.000 1.394 495 W HN 0.582 nan 8.180 nan 0.000 0.466 496 I N 4.202 124.858 120.570 0.145 0.000 2.354 496 I HA 0.310 4.457 4.170 -0.040 0.000 0.292 496 I C -0.321 175.876 176.117 0.133 0.000 0.989 496 I CA -0.943 60.420 61.300 0.104 0.000 1.188 496 I CB 1.373 39.405 38.000 0.053 0.000 1.342 496 I HN 0.085 nan 8.210 nan 0.000 0.457 497 I N 6.069 126.723 120.570 0.140 0.000 2.321 497 I HA 0.326 4.472 4.170 -0.040 0.000 0.291 497 I C 0.268 176.463 176.117 0.131 0.000 0.998 497 I CA 0.254 61.631 61.300 0.128 0.000 1.227 497 I CB 1.309 39.376 38.000 0.112 0.000 1.368 497 I HN 0.588 nan 8.210 nan 0.000 0.466 498 S N 3.912 119.677 115.700 0.109 0.000 2.671 498 S HA 0.593 5.040 4.470 -0.040 0.000 0.299 498 S C -0.753 173.898 174.600 0.085 0.000 1.116 498 S CA -0.936 57.327 58.200 0.105 0.000 0.912 498 S CB 1.939 65.188 63.200 0.082 0.000 1.130 498 S HN 0.505 nan 8.310 nan 0.000 0.501 499 N N 1.867 120.611 118.700 0.073 0.000 2.558 499 N HA 0.380 5.097 4.740 -0.040 0.000 0.242 499 N C -2.004 173.525 175.510 0.032 0.000 0.979 499 N CA -2.348 50.731 53.050 0.049 0.000 0.931 499 N CB 1.509 40.017 38.487 0.036 0.000 1.122 499 N HN 0.387 nan 8.380 nan 0.000 0.508 500 P HA -0.046 nan 4.420 nan 0.000 0.231 500 P C -0.105 177.204 177.300 0.014 0.000 1.158 500 P CA 1.059 64.174 63.100 0.025 0.000 0.763 500 P CB 0.485 32.204 31.700 0.031 0.000 0.805 501 E N -1.104 119.102 120.200 0.010 0.000 2.538 501 E HA 0.168 4.495 4.350 -0.040 0.000 0.207 501 E C 0.004 176.595 176.600 -0.014 0.000 1.002 501 E CA -0.123 56.278 56.400 0.002 0.000 0.952 501 E CB 0.522 30.228 29.700 0.009 0.000 1.031 501 E HN -0.046 nan 8.360 nan 0.000 0.476 502 S N 1.107 116.793 115.700 -0.024 0.000 2.756 502 S HA 0.353 4.799 4.470 -0.040 0.000 0.303 502 S C -1.047 173.515 174.600 -0.064 0.000 1.135 502 S CA -0.718 57.450 58.200 -0.054 0.000 1.066 502 S CB 0.405 63.561 63.200 -0.072 0.000 1.008 502 S HN -0.021 nan 8.310 nan 0.000 0.482 503 K N 2.877 123.237 120.400 -0.066 0.000 2.203 503 K HA 0.438 4.734 4.320 -0.040 0.000 0.251 503 K C -0.056 176.493 176.600 -0.085 0.000 0.944 503 K CA -1.042 55.208 56.287 -0.062 0.000 0.829 503 K CB 1.049 33.526 32.500 -0.038 0.000 1.125 503 K HN 0.738 nan 8.250 nan 0.000 0.430 504 N N 0.662 119.313 118.700 -0.082 0.000 2.322 504 N HA 0.014 4.730 4.740 -0.040 0.000 0.270 504 N C 0.735 176.213 175.510 -0.053 0.000 1.286 504 N CA -0.391 52.608 53.050 -0.086 0.000 0.948 504 N CB 0.271 38.714 38.487 -0.074 0.000 1.164 504 N HN 0.585 nan 8.380 nan 0.000 0.551 505 R N -0.783 119.693 120.500 -0.040 0.000 2.241 505 R HA 0.020 4.336 4.340 -0.040 0.000 0.224 505 R C 0.588 176.876 176.300 -0.020 0.000 1.101 505 R CA 1.117 57.201 56.100 -0.026 0.000 0.995 505 R CB -0.709 29.581 30.300 -0.018 0.000 0.870 505 R HN 0.563 nan 8.270 nan 0.000 0.463 506 L N 1.061 122.272 121.223 -0.020 0.000 2.653 506 L HA 0.160 4.476 4.340 -0.040 0.000 0.231 506 L C 0.220 177.081 176.870 -0.016 0.000 1.153 506 L CA -0.171 54.660 54.840 -0.016 0.000 0.933 506 L CB -0.585 41.466 42.059 -0.012 0.000 1.175 506 L HN 0.400 nan 8.230 nan 0.000 0.473 507 N N 1.739 120.427 118.700 -0.021 0.000 2.758 507 N HA -0.153 4.563 4.740 -0.040 0.000 0.248 507 N C -0.450 175.050 175.510 -0.017 0.000 1.076 507 N CA 0.426 53.464 53.050 -0.020 0.000 0.696 507 N CB -0.037 38.441 38.487 -0.015 0.000 0.979 507 N HN 0.387 nan 8.380 nan 0.000 0.550 508 E N 0.294 120.482 120.200 -0.020 0.000 2.199 508 E HA 0.401 4.728 4.350 -0.040 0.000 0.269 508 E C -2.478 174.111 176.600 -0.018 0.000 0.899 508 E CA -1.746 54.646 56.400 -0.013 0.000 0.772 508 E CB 1.551 31.245 29.700 -0.009 0.000 1.155 508 E HN 0.099 nan 8.360 nan 0.000 0.408 509 P HA -0.086 nan 4.420 nan 0.000 0.261 509 P C 0.016 177.318 177.300 0.003 0.000 1.183 509 P CA 0.057 63.156 63.100 -0.002 0.000 0.761 509 P CB 0.320 32.030 31.700 0.016 0.000 0.785 510 V N 2.162 122.066 119.914 -0.017 0.000 2.963 510 V HA 0.697 4.793 4.120 -0.040 0.000 0.306 510 V C 0.574 176.751 176.094 0.138 0.000 1.077 510 V CA 0.369 62.671 62.300 0.002 0.000 1.124 510 V CB 0.302 32.026 31.823 -0.165 0.000 0.987 510 V HN 0.724 nan 8.190 nan 0.000 0.487 511 G N 2.256 111.188 108.800 0.219 0.000 2.600 511 G HA2 0.606 4.542 3.960 -0.040 0.000 0.293 511 G HA3 0.606 4.542 3.960 -0.040 0.000 0.293 511 G C -2.303 172.729 174.900 0.220 0.000 1.408 511 G CA -0.745 44.490 45.100 0.225 0.000 0.782 511 G HN 0.783 nan 8.290 nan 0.000 0.482 512 Y N -0.136 120.184 120.300 0.033 0.000 2.457 512 Y HA 0.602 5.128 4.550 -0.040 0.000 0.343 512 Y C 0.021 175.934 175.900 0.021 0.000 0.994 512 Y CA -0.814 57.287 58.100 0.003 0.000 1.031 512 Y CB 2.792 41.224 38.460 -0.047 0.000 1.246 512 Y HN 0.515 nan 8.280 nan 0.000 0.449 513 K N 4.256 124.692 120.400 0.061 0.000 2.235 513 K HA 0.531 4.827 4.320 -0.040 0.000 0.266 513 K C -1.638 174.926 176.600 -0.060 0.000 0.980 513 K CA -0.839 55.428 56.287 -0.033 0.000 0.849 513 K CB 0.992 33.405 32.500 -0.144 0.000 1.098 513 K HN 0.658 nan 8.250 nan 0.000 0.445 514 L N 5.145 126.354 121.223 -0.024 0.000 2.281 514 L HA 0.270 4.586 4.340 -0.040 0.000 0.285 514 L C -1.276 175.550 176.870 -0.074 0.000 1.074 514 L CA 0.093 54.962 54.840 0.047 0.000 0.817 514 L CB 0.401 42.523 42.059 0.105 0.000 1.168 514 L HN 0.666 nan 8.230 nan 0.000 0.434 515 H N 4.721 123.901 119.070 0.183 0.000 2.623 515 H HA 0.660 5.193 4.556 -0.040 0.000 0.299 515 H C 0.020 175.491 175.328 0.238 0.000 1.052 515 H CA -0.069 56.080 56.048 0.169 0.000 1.231 515 H CB 1.144 30.988 29.762 0.137 0.000 1.389 515 H HN 0.869 nan 8.280 nan 0.000 0.469 516 A N 2.251 125.273 122.820 0.335 0.000 2.279 516 A HA 0.191 4.487 4.320 -0.040 0.000 0.303 516 A C 0.437 178.314 177.584 0.489 0.000 1.108 516 A CA -0.557 51.721 52.037 0.401 0.000 0.830 516 A CB 0.481 19.744 19.000 0.438 0.000 1.106 516 A HN 1.000 nan 8.150 nan 0.000 0.493 517 H N 0.730 119.976 119.070 0.292 0.000 2.548 517 H HA -0.005 4.527 4.556 -0.040 0.000 0.268 517 H C -0.134 175.307 175.328 0.187 0.000 0.975 517 H CA 0.270 56.438 56.048 0.201 0.000 1.195 517 H CB 0.171 30.039 29.762 0.176 0.000 1.397 517 H HN 0.757 nan 8.280 nan 0.000 0.572 518 N N 2.055 120.971 118.700 0.360 0.000 2.740 518 N HA -0.167 4.549 4.740 -0.040 0.000 0.248 518 N C -0.530 175.104 175.510 0.206 0.000 1.062 518 N CA 0.553 53.762 53.050 0.265 0.000 0.704 518 N CB -0.897 37.707 38.487 0.195 0.000 0.968 518 N HN 0.534 nan 8.380 nan 0.000 0.547 519 Q N -0.179 119.756 119.800 0.225 0.000 2.382 519 Q HA 0.369 4.686 4.340 -0.040 0.000 0.229 519 Q C -1.836 174.233 176.000 0.116 0.000 1.006 519 Q CA -1.031 54.868 55.803 0.160 0.000 0.916 519 Q CB 0.261 29.102 28.738 0.172 0.000 1.235 519 Q HN 0.134 nan 8.270 nan 0.000 0.512 520 P HA 0.018 nan 4.420 nan 0.000 0.269 520 P C -0.282 177.026 177.300 0.013 0.000 1.209 520 P CA 0.135 63.257 63.100 0.038 0.000 0.776 520 P CB 0.496 32.203 31.700 0.012 0.000 0.876 521 T N -0.197 114.360 114.554 0.005 0.000 2.891 521 T HA 0.328 4.655 4.350 -0.040 0.000 0.294 521 T C 0.268 174.921 174.700 -0.078 0.000 1.065 521 T CA -0.903 61.179 62.100 -0.030 0.000 0.936 521 T CB 0.045 68.910 68.868 -0.005 0.000 1.415 521 T HN 0.179 nan 8.240 nan 0.000 0.572 522 L N 1.091 122.240 121.223 -0.122 0.000 2.628 522 L HA 0.129 4.445 4.340 -0.040 0.000 0.274 522 L C 0.879 177.696 176.870 -0.088 0.000 1.209 522 L CA 0.283 55.037 54.840 -0.144 0.000 0.930 522 L CB -0.443 41.506 42.059 -0.184 0.000 1.183 522 L HN 0.641 nan 8.230 nan 0.000 0.492 523 L N 5.020 126.194 121.223 -0.083 0.000 2.375 523 L HA 0.191 4.508 4.340 -0.040 0.000 0.215 523 L C 1.456 178.312 176.870 -0.024 0.000 1.108 523 L CA 0.264 55.080 54.840 -0.040 0.000 0.830 523 L CB -0.568 41.474 42.059 -0.030 0.000 0.959 523 L HN 0.836 nan 8.230 nan 0.000 0.457 524 A N 0.863 123.660 122.820 -0.038 0.000 2.586 524 A HA -0.124 4.173 4.320 -0.040 0.000 0.231 524 A C 0.364 177.946 177.584 -0.003 0.000 1.055 524 A CA -0.026 52.002 52.037 -0.015 0.000 0.756 524 A CB -0.110 18.876 19.000 -0.023 0.000 0.988 524 A HN 0.304 nan 8.150 nan 0.000 0.509 525 D N 2.589 122.996 120.400 0.013 0.000 2.506 525 D HA -0.009 4.608 4.640 -0.040 0.000 0.234 525 D C -1.092 175.214 176.300 0.010 0.000 1.143 525 D CA -0.704 53.306 54.000 0.015 0.000 0.871 525 D CB 0.816 41.630 40.800 0.024 0.000 1.190 525 D HN 0.301 nan 8.370 nan 0.000 0.459 526 P HA -0.097 nan 4.420 nan 0.000 0.221 526 P C 1.022 178.326 177.300 0.007 0.000 1.145 526 P CA 0.912 64.015 63.100 0.005 0.000 0.795 526 P CB 0.115 31.818 31.700 0.006 0.000 0.775 527 G N -0.099 108.708 108.800 0.012 0.000 3.042 527 G HA2 0.016 3.952 3.960 -0.040 0.000 0.212 527 G HA3 0.016 3.952 3.960 -0.040 0.000 0.212 527 G C 0.667 175.577 174.900 0.016 0.000 1.166 527 G CA 0.152 45.259 45.100 0.012 0.000 0.767 527 G HN 0.442 nan 8.290 nan 0.000 0.546 528 S N -0.343 115.372 115.700 0.024 0.000 2.589 528 S HA 0.251 4.697 4.470 -0.040 0.000 0.265 528 S C 1.638 176.249 174.600 0.017 0.000 1.342 528 S CA 0.494 58.720 58.200 0.044 0.000 1.005 528 S CB 1.603 64.838 63.200 0.058 0.000 0.909 528 S HN 0.112 nan 8.310 nan 0.000 0.555 529 S N 0.759 116.464 115.700 0.008 0.000 2.368 529 S HA -0.141 4.306 4.470 -0.040 0.000 0.225 529 S C 1.692 176.266 174.600 -0.043 0.000 1.030 529 S CA 1.116 59.254 58.200 -0.102 0.000 0.999 529 S CB -0.827 62.141 63.200 -0.387 0.000 0.844 529 S HN 0.714 nan 8.310 nan 0.000 0.459 530 I N 2.104 122.689 120.570 0.026 0.000 2.361 530 I HA 0.006 4.153 4.170 -0.040 0.000 0.251 530 I C 2.326 178.453 176.117 0.016 0.000 1.133 530 I CA 1.218 62.552 61.300 0.056 0.000 1.413 530 I CB -0.930 37.096 38.000 0.044 0.000 1.073 530 I HN 0.342 nan 8.210 nan 0.000 0.424 531 A N 0.367 123.185 122.820 -0.004 0.000 1.933 531 A HA -0.178 4.118 4.320 -0.040 0.000 0.218 531 A C 2.441 180.019 177.584 -0.009 0.000 1.175 531 A CA 1.569 53.594 52.037 -0.020 0.000 0.628 531 A CB -0.536 18.457 19.000 -0.011 0.000 0.814 531 A HN 0.470 nan 8.150 nan 0.000 0.444 532 R N -0.958 119.539 120.500 -0.004 0.000 2.093 532 R HA 0.052 4.368 4.340 -0.040 0.000 0.224 532 R C 2.263 178.566 176.300 0.005 0.000 1.101 532 R CA 1.060 57.157 56.100 -0.005 0.000 0.979 532 R CB -0.184 30.106 30.300 -0.018 0.000 0.877 532 R HN 0.438 nan 8.270 nan 0.000 0.441 533 R N 0.202 120.724 120.500 0.036 0.000 2.153 533 R HA 0.103 4.419 4.340 -0.040 0.000 0.218 533 R C 0.807 177.214 176.300 0.179 0.000 1.072 533 R CA 0.981 57.127 56.100 0.075 0.000 0.990 533 R CB 0.373 30.731 30.300 0.096 0.000 0.889 533 R HN 0.044 nan 8.270 nan 0.000 0.452 534 A N 0.096 123.021 122.820 0.175 0.000 2.956 534 A HA 0.494 4.790 4.320 -0.040 0.000 0.294 534 A C 1.015 178.518 177.584 -0.135 0.000 0.993 534 A CA -0.161 51.967 52.037 0.151 0.000 1.032 534 A CB 0.402 19.416 19.000 0.023 0.000 1.129 534 A HN 0.218 nan 8.150 nan 0.000 0.505 535 A N 0.170 122.963 122.820 -0.045 0.000 2.024 535 A HA -0.029 4.268 4.320 -0.040 0.000 0.220 535 A C 1.760 179.324 177.584 -0.032 0.000 1.164 535 A CA 1.741 53.757 52.037 -0.036 0.000 0.643 535 A CB -0.959 18.041 19.000 0.001 0.000 0.806 535 A HN 1.402 nan 8.150 nan 0.000 0.451 536 F N -0.186 119.592 119.950 -0.286 0.000 2.161 536 F HA -0.002 4.501 4.527 -0.040 0.000 0.300 536 F C 2.048 177.879 175.800 0.052 0.000 1.089 536 F CA 0.929 58.643 58.000 -0.476 0.000 1.282 536 F CB -0.851 37.785 39.000 -0.606 0.000 1.010 536 F HN 0.142 nan 8.300 nan 0.000 0.485 537 A N 0.506 122.638 122.820 -1.146 0.000 2.168 537 A HA -0.035 4.261 4.320 -0.040 0.000 0.215 537 A C 2.129 179.549 177.584 -0.272 0.000 1.152 537 A CA 1.408 52.931 52.037 -0.857 0.000 0.716 537 A CB -1.506 16.836 19.000 -1.096 0.000 0.794 537 A HN 0.597 nan 8.150 nan 0.000 0.465 538 T N -3.501 111.001 114.554 -0.087 0.000 3.088 538 T HA 0.174 4.501 4.350 -0.040 0.000 0.259 538 T C 0.625 175.352 174.700 0.046 0.000 1.122 538 T CA 0.297 62.395 62.100 -0.003 0.000 1.095 538 T CB 0.074 68.960 68.868 0.029 0.000 0.930 538 T HN 0.118 nan 8.240 nan 0.000 0.508 539 K N 0.926 121.411 120.400 0.141 0.000 2.477 539 K HA 0.400 4.696 4.320 -0.040 0.000 0.255 539 K C -0.479 176.181 176.600 0.100 0.000 0.952 539 K CA -0.522 55.765 56.287 0.001 0.000 0.826 539 K CB 2.100 34.368 32.500 -0.387 0.000 1.331 539 K HN -0.052 nan 8.250 nan 0.000 0.437 540 D N 0.254 120.668 120.400 0.023 0.000 2.194 540 D HA 0.000 4.617 4.640 -0.040 0.000 0.204 540 D C 0.004 176.338 176.300 0.056 0.000 0.964 540 D CA 0.741 54.801 54.000 0.099 0.000 0.846 540 D CB 0.316 41.222 40.800 0.178 0.000 0.962 540 D HN 0.117 nan 8.370 nan 0.000 0.490 541 L N -0.278 120.805 121.223 -0.233 0.000 2.464 541 L HA 0.457 4.774 4.340 -0.040 0.000 0.266 541 L C -1.997 174.706 176.870 -0.278 0.000 0.965 541 L CA -0.639 54.029 54.840 -0.286 0.000 0.833 541 L CB 1.543 42.990 42.059 -1.021 0.000 1.296 541 L HN -0.129 nan 8.230 nan 0.000 0.405 542 W N 4.233 125.515 121.300 -0.031 0.000 2.819 542 W HA 0.759 5.395 4.660 -0.040 0.000 0.337 542 W C -1.155 175.461 176.519 0.162 0.000 1.077 542 W CA -0.836 56.529 57.345 0.034 0.000 1.226 542 W CB 1.993 31.447 29.460 -0.010 0.000 1.419 542 W HN 0.143 nan 8.180 nan 0.000 0.502 543 V N 2.765 122.880 119.914 0.334 0.000 2.483 543 V HA 0.681 4.777 4.120 -0.040 0.000 0.297 543 V C -0.068 176.217 176.094 0.318 0.000 1.027 543 V CA -0.798 61.688 62.300 0.309 0.000 0.855 543 V CB 1.286 33.208 31.823 0.164 0.000 0.995 543 V HN 0.591 nan 8.190 nan 0.000 0.424 544 T N 1.657 116.453 114.554 0.403 0.000 2.930 544 T HA 0.751 5.078 4.350 -0.040 0.000 0.290 544 T C -0.443 174.402 174.700 0.241 0.000 1.052 544 T CA -0.967 61.328 62.100 0.325 0.000 1.017 544 T CB 2.139 71.260 68.868 0.422 0.000 1.137 544 T HN 0.497 nan 8.240 nan 0.000 0.511 545 R N 0.975 121.574 120.500 0.165 0.000 2.340 545 R HA 0.333 4.649 4.340 -0.040 0.000 0.300 545 R C -0.774 175.598 176.300 0.119 0.000 1.069 545 R CA -0.878 55.299 56.100 0.128 0.000 0.984 545 R CB -0.560 29.790 30.300 0.082 0.000 1.003 545 R HN 0.772 nan 8.270 nan 0.000 0.459 546 Y N 3.125 123.427 120.300 0.002 0.000 2.683 546 Y HA 0.279 4.805 4.550 -0.040 0.000 0.340 546 Y C -0.720 175.132 175.900 -0.080 0.000 1.245 546 Y CA 0.931 59.002 58.100 -0.048 0.000 1.485 546 Y CB 0.514 38.915 38.460 -0.099 0.000 1.328 546 Y HN 0.743 nan 8.280 nan 0.000 0.603 547 A N 4.669 126.862 122.820 -1.045 0.000 2.491 547 A HA 0.278 4.574 4.320 -0.040 0.000 0.293 547 A C -0.015 176.916 177.584 -1.088 0.000 1.047 547 A CA -0.309 51.216 52.037 -0.853 0.000 0.735 547 A CB 0.435 19.152 19.000 -0.470 0.000 1.281 547 A HN 0.831 nan 8.150 nan 0.000 0.398 548 D N 1.643 121.539 120.400 -0.839 0.000 2.311 548 D HA -0.177 4.440 4.640 -0.040 0.000 0.212 548 D C 0.653 176.754 176.300 -0.331 0.000 0.972 548 D CA 1.641 55.353 54.000 -0.478 0.000 0.887 548 D CB 0.114 40.819 40.800 -0.159 0.000 0.915 548 D HN 0.550 nan 8.370 nan 0.000 0.497 549 D N -0.091 120.108 120.400 -0.336 0.000 2.369 549 D HA -0.052 4.564 4.640 -0.040 0.000 0.211 549 D C -0.168 175.931 176.300 -0.334 0.000 1.077 549 D CA -0.144 53.703 54.000 -0.256 0.000 0.842 549 D CB -0.506 40.189 40.800 -0.175 0.000 0.947 549 D HN 0.261 nan 8.370 nan 0.000 0.509 550 E N 0.841 120.755 120.200 -0.477 0.000 2.136 550 E HA 0.314 4.640 4.350 -0.040 0.000 0.246 550 E C 0.432 176.893 176.600 -0.231 0.000 1.017 550 E CA -0.239 55.785 56.400 -0.627 0.000 0.883 550 E CB 1.046 30.154 29.700 -0.985 0.000 1.199 550 E HN 0.107 nan 8.360 nan 0.000 0.447 551 R N 0.900 121.244 120.500 -0.261 0.000 2.195 551 R HA 0.116 4.432 4.340 -0.040 0.000 0.197 551 R C -0.143 175.862 176.300 -0.491 0.000 0.990 551 R CA 0.626 56.413 56.100 -0.521 0.000 1.048 551 R CB 0.526 30.189 30.300 -1.062 0.000 0.997 551 R HN 0.281 nan 8.270 nan 0.000 0.502 552 Y N -0.125 120.306 120.300 0.218 0.000 2.462 552 Y HA 0.299 4.826 4.550 -0.039 0.000 0.346 552 Y C -1.788 174.068 175.900 -0.073 0.000 0.976 552 Y CA -3.183 54.981 58.100 0.108 0.000 1.044 552 Y CB 1.348 39.762 38.460 -0.076 0.000 1.230 552 Y HN -0.174 nan 8.280 nan 0.000 0.455 553 P HA -0.103 nan 4.420 nan 0.000 0.225 553 P C 0.649 177.628 177.300 -0.536 0.000 1.148 553 P CA 1.538 64.249 63.100 -0.648 0.000 0.779 553 P CB 0.164 31.369 31.700 -0.826 0.000 0.780 554 T N -4.823 109.532 114.554 -0.331 0.000 3.085 554 T HA 0.519 4.845 4.350 -0.040 0.000 0.264 554 T C 0.866 175.379 174.700 -0.311 0.000 1.019 554 T CA 0.074 62.017 62.100 -0.261 0.000 0.910 554 T CB -0.002 68.783 68.868 -0.139 0.000 1.059 554 T HN 0.342 nan 8.240 nan 0.000 0.542 555 G N 1.368 110.029 108.800 -0.231 0.000 2.710 555 G HA2 -0.162 3.774 3.960 -0.040 0.000 0.668 555 G HA3 -0.162 3.774 3.960 -0.040 0.000 0.668 555 G C -0.173 174.661 174.900 -0.109 0.000 1.320 555 G CA -0.118 44.875 45.100 -0.179 0.000 0.860 555 G HN 0.173 nan 8.290 nan 0.000 0.538 556 D N -0.635 119.657 120.400 -0.181 0.000 2.194 556 D HA 0.042 4.658 4.640 -0.040 0.000 0.204 556 D C 0.658 176.477 176.300 -0.802 0.000 0.964 556 D CA 1.432 55.174 54.000 -0.430 0.000 0.846 556 D CB 0.103 40.541 40.800 -0.603 0.000 0.962 556 D HN 0.182 nan 8.370 nan 0.000 0.490 557 F N 0.674 120.520 119.950 -0.174 0.000 2.359 557 F HA 0.186 4.689 4.527 -0.040 0.000 0.370 557 F C 1.091 176.774 175.800 -0.196 0.000 1.077 557 F CA -0.596 57.281 58.000 -0.204 0.000 1.136 557 F CB 1.302 40.175 39.000 -0.211 0.000 1.387 557 F HN -0.349 nan 8.300 nan 0.000 0.468 558 V N 0.131 119.957 119.914 -0.146 0.000 2.488 558 V HA -0.168 3.929 4.120 -0.040 0.000 0.246 558 V C 1.274 177.236 176.094 -0.219 0.000 1.046 558 V CA 0.675 62.806 62.300 -0.282 0.000 1.053 558 V CB -0.517 31.032 31.823 -0.458 0.000 0.679 558 V HN 0.649 nan 8.190 nan 0.000 0.458 559 N N 1.497 120.123 118.700 -0.125 0.000 2.374 559 N HA -0.091 4.625 4.740 -0.040 0.000 0.269 559 N C 0.590 176.066 175.510 -0.057 0.000 1.310 559 N CA 0.762 53.761 53.050 -0.085 0.000 0.877 559 N CB -0.275 38.175 38.487 -0.063 0.000 1.096 559 N HN 0.505 nan 8.380 nan 0.000 0.484 560 Q N -0.172 119.594 119.800 -0.057 0.000 2.461 560 Q HA -0.312 4.004 4.340 -0.040 0.000 0.264 560 Q C -0.531 175.424 176.000 -0.076 0.000 1.085 560 Q CA 0.798 56.567 55.803 -0.057 0.000 1.006 560 Q CB -1.577 27.130 28.738 -0.052 0.000 1.437 560 Q HN 0.677 nan 8.270 nan 0.000 0.514 561 H N 0.401 119.385 119.070 -0.143 0.000 2.722 561 H HA 0.151 4.683 4.556 -0.040 0.000 0.328 561 H C 1.281 176.527 175.328 -0.138 0.000 1.067 561 H CA 0.934 56.904 56.048 -0.129 0.000 1.447 561 H CB 1.068 30.749 29.762 -0.136 0.000 1.469 561 H HN 0.307 nan 8.280 nan 0.000 0.544 562 S N 3.001 118.425 115.700 -0.461 0.000 2.400 562 S HA 0.029 4.475 4.470 -0.040 0.000 0.232 562 S C 1.028 175.578 174.600 -0.083 0.000 1.025 562 S CA 0.615 58.665 58.200 -0.250 0.000 0.993 562 S CB -0.031 63.006 63.200 -0.270 0.000 0.808 562 S HN 1.053 nan 8.310 nan 0.000 0.478 563 G N -1.657 107.215 108.800 0.120 0.000 2.326 563 G HA2 0.497 4.433 3.960 -0.040 0.000 0.413 563 G HA3 0.497 4.433 3.960 -0.040 0.000 0.413 563 G C 0.384 175.344 174.900 0.100 0.000 1.444 563 G CA -0.019 45.138 45.100 0.094 0.000 1.002 563 G HN 1.467 nan 8.290 nan 0.000 0.649 564 G N -1.316 107.485 108.800 0.002 0.000 2.184 564 G HA2 0.200 4.136 3.960 -0.040 0.000 0.264 564 G HA3 0.200 4.136 3.960 -0.040 0.000 0.264 564 G C 1.110 175.927 174.900 -0.139 0.000 0.975 564 G CA 1.477 46.548 45.100 -0.049 0.000 0.642 564 G HN 2.488 nan 8.290 nan 0.000 0.536 565 A N -0.485 122.202 122.820 -0.221 0.000 2.296 565 A HA 0.866 5.162 4.320 -0.040 0.000 0.264 565 A C 1.917 179.190 177.584 -0.519 0.000 1.097 565 A CA 1.701 53.492 52.037 -0.409 0.000 0.811 565 A CB 0.159 18.694 19.000 -0.775 0.000 1.072 565 A HN 2.439 nan 8.150 nan 0.000 0.495 566 G N -0.958 107.408 108.800 -0.723 0.000 2.527 566 G HA2 -0.256 3.681 3.960 -0.040 0.000 0.268 566 G HA3 -0.256 3.681 3.960 -0.040 0.000 0.268 566 G C 0.915 174.851 174.900 -1.606 0.000 1.175 566 G CA 0.372 44.762 45.100 -1.184 0.000 0.962 566 G HN 1.157 nan 8.290 nan 0.000 0.560 567 L N 1.666 122.152 121.223 -1.229 0.000 2.021 567 L HA -0.133 4.183 4.340 -0.040 0.000 0.215 567 L C 0.310 176.834 176.870 -0.577 0.000 1.074 567 L CA 2.768 56.989 54.840 -1.032 0.000 0.760 567 L CB -1.459 39.745 42.059 -1.424 0.000 0.889 567 L HN 0.411 nan 8.230 nan 0.000 0.433 568 P HA -0.138 nan 4.420 nan 0.000 0.218 568 P C 1.844 179.074 177.300 -0.116 0.000 1.148 568 P CA 1.363 64.391 63.100 -0.121 0.000 0.822 568 P CB 0.115 31.762 31.700 -0.087 0.000 0.784 569 S N -2.058 113.494 115.700 -0.246 0.000 2.362 569 S HA -0.123 4.323 4.470 -0.040 0.000 0.221 569 S C 1.747 176.360 174.600 0.021 0.000 1.032 569 S CA 0.817 58.940 58.200 -0.128 0.000 0.973 569 S CB -0.855 62.239 63.200 -0.175 0.000 0.849 569 S HN -0.024 nan 8.310 nan 0.000 0.465 570 Y N 1.822 122.052 120.300 -0.117 0.000 2.128 570 Y HA -0.024 4.503 4.550 -0.039 0.000 0.284 570 Y C 2.372 178.250 175.900 -0.038 0.000 1.154 570 Y CA -0.036 58.005 58.100 -0.097 0.000 1.149 570 Y CB -1.107 37.252 38.460 -0.167 0.000 0.976 570 Y HN 0.237 nan 8.280 nan 0.000 0.505 571 I N 0.080 120.733 120.570 0.137 0.000 2.335 571 I HA -0.265 3.882 4.170 -0.040 0.000 0.251 571 I C 2.412 178.587 176.117 0.097 0.000 1.129 571 I CA 1.436 62.818 61.300 0.135 0.000 1.402 571 I CB -1.521 36.596 38.000 0.195 0.000 1.069 571 I HN 0.147 nan 8.210 nan 0.000 0.424 572 A N -0.024 122.841 122.820 0.074 0.000 2.125 572 A HA -0.212 4.084 4.320 -0.040 0.000 0.219 572 A C 2.143 179.758 177.584 0.052 0.000 1.156 572 A CA 1.093 53.163 52.037 0.054 0.000 0.671 572 A CB -0.523 18.499 19.000 0.037 0.000 0.794 572 A HN 0.538 nan 8.150 nan 0.000 0.459 573 Q N -1.433 118.404 119.800 0.062 0.000 2.297 573 Q HA -0.079 4.237 4.340 -0.040 0.000 0.204 573 Q C 0.098 176.125 176.000 0.046 0.000 0.962 573 Q CA 0.499 56.331 55.803 0.049 0.000 0.879 573 Q CB 0.032 28.798 28.738 0.047 0.000 0.947 573 Q HN 0.592 nan 8.270 nan 0.000 0.462 574 D N 0.693 121.126 120.400 0.055 0.000 2.697 574 D HA -0.162 4.454 4.640 -0.040 0.000 0.238 574 D C -0.969 175.359 176.300 0.048 0.000 1.152 574 D CA 0.576 54.607 54.000 0.051 0.000 0.666 574 D CB -0.583 40.241 40.800 0.040 0.000 1.037 574 D HN 0.196 nan 8.370 nan 0.000 0.423 575 R N 0.353 120.885 120.500 0.054 0.000 2.577 575 R HA 0.362 4.678 4.340 -0.040 0.000 0.269 575 R C 0.180 176.513 176.300 0.055 0.000 1.084 575 R CA -0.611 55.518 56.100 0.049 0.000 1.163 575 R CB 0.435 30.764 30.300 0.048 0.000 1.100 575 R HN 0.161 nan 8.270 nan 0.000 0.547 576 D N 1.689 122.119 120.400 0.050 0.000 2.371 576 D HA 0.044 4.660 4.640 -0.040 0.000 0.256 576 D C 0.515 176.853 176.300 0.063 0.000 1.193 576 D CA -0.062 53.969 54.000 0.052 0.000 0.881 576 D CB 0.556 41.383 40.800 0.043 0.000 1.143 576 D HN 0.531 nan 8.370 nan 0.000 0.473 577 I N -0.134 120.478 120.570 0.070 0.000 4.081 577 I HA 0.338 4.484 4.170 -0.040 0.000 0.333 577 I C 0.265 176.428 176.117 0.077 0.000 1.413 577 I CA -0.487 60.862 61.300 0.083 0.000 1.110 577 I CB 0.415 38.474 38.000 0.099 0.000 1.082 577 I HN 0.096 nan 8.210 nan 0.000 0.402 578 D N 3.074 123.513 120.400 0.065 0.000 2.453 578 D HA 0.328 4.944 4.640 -0.040 0.000 0.223 578 D C 1.088 177.422 176.300 0.057 0.000 1.183 578 D CA 0.573 54.609 54.000 0.060 0.000 0.933 578 D CB 0.358 41.188 40.800 0.051 0.000 1.038 578 D HN 0.553 nan 8.370 nan 0.000 0.513 579 G N 3.218 112.056 108.800 0.064 0.000 2.303 579 G HA2 -0.181 3.756 3.960 -0.040 0.000 0.260 579 G HA3 -0.181 3.756 3.960 -0.040 0.000 0.260 579 G C -0.077 174.864 174.900 0.067 0.000 1.106 579 G CA -0.314 44.823 45.100 0.061 0.000 0.900 579 G HN 0.480 nan 8.290 nan 0.000 0.495 580 Q N -0.719 119.128 119.800 0.079 0.000 2.683 580 Q HA 0.411 4.728 4.340 -0.040 0.000 0.302 580 Q C -0.941 175.122 176.000 0.105 0.000 1.042 580 Q CA -0.927 54.926 55.803 0.083 0.000 0.773 580 Q CB 0.991 29.774 28.738 0.075 0.000 1.508 580 Q HN 0.231 nan 8.270 nan 0.000 0.459 581 D N 1.845 122.301 120.400 0.094 0.000 2.344 581 D HA 0.291 4.907 4.640 -0.040 0.000 0.253 581 D C -0.375 175.997 176.300 0.120 0.000 1.255 581 D CA 0.080 54.135 54.000 0.092 0.000 0.894 581 D CB -0.257 40.502 40.800 -0.068 0.000 1.067 581 D HN 0.435 nan 8.370 nan 0.000 0.492 582 I N 0.035 120.686 120.570 0.135 0.000 3.067 582 I HA 0.687 4.834 4.170 -0.040 0.000 0.312 582 I C -0.989 175.194 176.117 0.110 0.000 1.073 582 I CA -1.103 60.279 61.300 0.137 0.000 1.016 582 I CB 2.226 40.301 38.000 0.125 0.000 1.227 582 I HN -0.080 nan 8.210 nan 0.000 0.456 583 V N 3.451 123.428 119.914 0.106 0.000 2.577 583 V HA 0.407 4.503 4.120 -0.040 0.000 0.303 583 V C -0.207 175.866 176.094 -0.034 0.000 1.042 583 V CA -0.674 61.600 62.300 -0.043 0.000 0.872 583 V CB 1.823 33.558 31.823 -0.145 0.000 0.998 583 V HN 0.563 nan 8.190 nan 0.000 0.423 584 V N 3.856 123.696 119.914 -0.123 0.000 2.427 584 V HA 0.463 4.559 4.120 -0.040 0.000 0.286 584 V C -1.109 174.934 176.094 -0.085 0.000 1.034 584 V CA -0.401 61.898 62.300 -0.002 0.000 0.893 584 V CB 1.589 33.405 31.823 -0.012 0.000 0.982 584 V HN 0.918 nan 8.190 nan 0.000 0.452 585 W N 4.226 125.573 121.300 0.078 0.000 2.336 585 W HA 0.491 5.127 4.660 -0.040 0.000 0.315 585 W C -0.179 176.438 176.519 0.163 0.000 1.016 585 W CA -0.668 56.727 57.345 0.083 0.000 1.318 585 W CB 0.498 29.984 29.460 0.044 0.000 1.247 585 W HN 0.583 nan 8.180 nan 0.000 0.414 586 H N 1.746 120.903 119.070 0.146 0.000 2.556 586 H HA 0.475 5.007 4.556 -0.039 0.000 0.310 586 H C -0.304 175.199 175.328 0.291 0.000 1.057 586 H CA -0.273 55.821 56.048 0.076 0.000 1.264 586 H CB 0.929 30.532 29.762 -0.266 0.000 1.404 586 H HN 0.169 nan 8.280 nan 0.000 0.462 587 T N 7.511 122.084 114.554 0.031 0.000 2.780 587 T HA 0.390 4.716 4.350 -0.040 0.000 0.294 587 T C -0.933 173.671 174.700 -0.160 0.000 0.949 587 T CA -0.184 61.945 62.100 0.048 0.000 1.074 587 T CB -0.467 68.520 68.868 0.199 0.000 0.910 587 T HN 0.496 nan 8.240 nan 0.000 0.501 588 F N 0.207 120.039 119.950 -0.198 0.000 2.628 588 F HA 0.852 5.355 4.527 -0.039 0.000 0.309 588 F C -0.210 175.653 175.800 0.105 0.000 1.108 588 F CA -1.127 56.803 58.000 -0.116 0.000 0.971 588 F CB 1.093 39.980 39.000 -0.188 0.000 1.279 588 F HN 0.760 nan 8.300 nan 0.000 0.441 589 G N 1.853 110.741 108.800 0.146 0.000 2.606 589 G HA2 0.620 4.556 3.960 -0.040 0.000 0.300 589 G HA3 0.620 4.556 3.960 -0.040 0.000 0.300 589 G C -2.425 172.536 174.900 0.101 0.000 1.360 589 G CA -1.164 44.015 45.100 0.133 0.000 0.783 589 G HN 0.817 nan 8.290 nan 0.000 0.484 590 L N 0.357 121.602 121.223 0.037 0.000 2.329 590 L HA 0.606 4.922 4.340 -0.040 0.000 0.279 590 L C -0.155 176.558 176.870 -0.261 0.000 1.014 590 L CA -0.685 54.100 54.840 -0.093 0.000 0.814 590 L CB 2.391 44.325 42.059 -0.209 0.000 1.257 590 L HN 0.407 nan 8.230 nan 0.000 0.424 591 T N 0.788 115.200 114.554 -0.236 0.000 2.772 591 T HA 0.378 4.705 4.350 -0.040 0.000 0.288 591 T C -0.633 173.814 174.700 -0.421 0.000 0.994 591 T CA -0.425 61.437 62.100 -0.396 0.000 0.951 591 T CB 0.195 68.853 68.868 -0.350 0.000 0.933 591 T HN 0.417 nan 8.240 nan 0.000 0.447 592 H N 2.110 120.729 119.070 -0.751 0.000 2.481 592 H HA 0.383 4.915 4.556 -0.040 0.000 0.333 592 H C -0.981 173.837 175.328 -0.850 0.000 1.066 592 H CA -0.926 54.692 56.048 -0.717 0.000 1.209 592 H CB 1.009 30.387 29.762 -0.641 0.000 1.445 592 H HN 0.446 nan 8.280 nan 0.000 0.488 593 F N 3.637 123.444 119.950 -0.238 0.000 2.451 593 F HA 0.261 4.763 4.527 -0.041 0.000 0.367 593 F C -2.158 173.601 175.800 -0.067 0.000 1.100 593 F CA -2.719 55.054 58.000 -0.378 0.000 1.171 593 F CB 0.594 39.236 39.000 -0.596 0.000 1.405 593 F HN 0.389 nan 8.300 nan 0.000 0.482 594 P HA 0.088 nan 4.420 nan 0.000 0.264 594 P C -0.235 177.158 177.300 0.154 0.000 1.179 594 P CA 0.158 63.356 63.100 0.164 0.000 0.763 594 P CB 0.696 32.553 31.700 0.262 0.000 0.806 595 R N 1.336 121.892 120.500 0.094 0.000 2.782 595 R HA 0.382 4.698 4.340 -0.040 0.000 0.258 595 R C 1.172 177.526 176.300 0.090 0.000 1.055 595 R CA -1.027 55.118 56.100 0.075 0.000 1.065 595 R CB 0.306 30.632 30.300 0.044 0.000 1.172 595 R HN 0.071 nan 8.270 nan 0.000 0.510 596 V N 1.114 121.070 119.914 0.069 0.000 2.490 596 V HA -0.208 3.888 4.120 -0.040 0.000 0.250 596 V C 1.401 177.570 176.094 0.124 0.000 1.061 596 V CA 1.839 64.196 62.300 0.094 0.000 1.064 596 V CB -0.587 31.269 31.823 0.054 0.000 0.670 596 V HN 0.683 nan 8.190 nan 0.000 0.461 597 E N -0.047 120.199 120.200 0.077 0.000 2.338 597 E HA -0.147 4.179 4.350 -0.040 0.000 0.197 597 E C 1.636 178.269 176.600 0.055 0.000 1.007 597 E CA 0.774 57.206 56.400 0.054 0.000 0.849 597 E CB -0.208 29.507 29.700 0.025 0.000 0.774 597 E HN 0.566 nan 8.360 nan 0.000 0.506 598 D N -0.963 119.492 120.400 0.091 0.000 2.355 598 D HA -0.062 4.554 4.640 -0.040 0.000 0.218 598 D C -0.260 176.139 176.300 0.165 0.000 1.004 598 D CA 0.267 54.322 54.000 0.092 0.000 0.880 598 D CB 0.159 41.018 40.800 0.098 0.000 0.911 598 D HN 0.214 nan 8.370 nan 0.000 0.528 599 W N 2.344 123.647 121.300 0.004 0.000 2.606 599 W HA 0.201 4.836 4.660 -0.041 0.000 0.332 599 W C -1.852 174.681 176.519 0.024 0.000 1.052 599 W CA -1.972 55.385 57.345 0.019 0.000 1.223 599 W CB 2.032 31.507 29.460 0.025 0.000 1.383 599 W HN -0.191 nan 8.180 nan 0.000 0.524 600 P HA 0.046 nan 4.420 nan 0.000 0.227 600 P C 0.142 176.994 177.300 -0.747 0.000 1.161 600 P CA 0.979 63.219 63.100 -1.434 0.000 0.788 600 P CB 1.492 32.681 31.700 -0.851 0.000 0.822 601 I N -0.635 119.671 120.570 -0.440 0.000 2.582 601 I HA 0.308 4.454 4.170 -0.040 0.000 0.292 601 I C -0.550 175.421 176.117 -0.245 0.000 1.066 601 I CA -1.674 59.366 61.300 -0.434 0.000 1.053 601 I CB 2.402 39.900 38.000 -0.837 0.000 1.241 601 I HN -0.311 nan 8.210 nan 0.000 0.421 602 M N 9.015 128.511 119.600 -0.173 0.000 2.200 602 M HA 0.321 4.777 4.480 -0.040 0.000 0.355 602 M C -2.308 173.939 176.300 -0.088 0.000 1.283 602 M CA -1.435 53.812 55.300 -0.089 0.000 1.124 602 M CB 0.515 33.088 32.600 -0.046 0.000 1.625 602 M HN 0.307 nan 8.290 nan 0.000 0.463 603 P HA 0.176 nan 4.420 nan 0.000 0.277 603 P C -0.596 176.695 177.300 -0.016 0.000 1.240 603 P CA -0.476 62.597 63.100 -0.045 0.000 0.798 603 P CB 0.747 32.426 31.700 -0.035 0.000 0.979 604 V N 2.602 122.520 119.914 0.006 0.000 2.617 604 V HA -0.044 4.052 4.120 -0.040 0.000 0.304 604 V C 0.778 176.893 176.094 0.036 0.000 1.040 604 V CA 1.065 63.389 62.300 0.039 0.000 1.149 604 V CB -0.352 31.508 31.823 0.062 0.000 0.914 604 V HN 0.635 nan 8.190 nan 0.000 0.487 605 D N 2.821 123.259 120.400 0.063 0.000 2.342 605 D HA 0.673 5.290 4.640 -0.040 0.000 0.243 605 D C -0.177 176.169 176.300 0.077 0.000 1.019 605 D CA -0.200 53.854 54.000 0.089 0.000 0.864 605 D CB 2.157 43.063 40.800 0.177 0.000 1.315 605 D HN 0.728 nan 8.370 nan 0.000 0.468 606 T N -0.986 113.605 114.554 0.061 0.000 2.916 606 T HA 0.778 5.105 4.350 -0.040 0.000 0.292 606 T C -0.844 173.887 174.700 0.051 0.000 1.055 606 T CA -0.794 61.314 62.100 0.014 0.000 1.009 606 T CB 1.542 70.393 68.868 -0.028 0.000 1.118 606 T HN 0.255 nan 8.240 nan 0.000 0.497 607 V N -0.358 119.547 119.914 -0.014 0.000 3.242 607 V HA 0.888 4.984 4.120 -0.040 0.000 0.298 607 V C -0.197 175.793 176.094 -0.173 0.000 1.352 607 V CA 0.510 62.843 62.300 0.055 0.000 1.052 607 V CB 1.736 33.639 31.823 0.133 0.000 1.101 607 V HN 1.696 nan 8.190 nan 0.000 0.446 608 G N 2.191 110.701 108.800 -0.483 0.000 2.393 608 G HA2 0.686 4.622 3.960 -0.040 0.000 0.264 608 G HA3 0.686 4.622 3.960 -0.040 0.000 0.264 608 G C -1.473 172.803 174.900 -1.040 0.000 1.221 608 G CA 0.245 44.873 45.100 -0.785 0.000 0.912 608 G HN 1.971 nan 8.290 nan 0.000 0.483 609 F N -1.131 118.422 119.950 -0.661 0.000 2.900 609 F HA 0.845 5.348 4.527 -0.040 0.000 0.321 609 F C -1.105 174.669 175.800 -0.044 0.000 1.160 609 F CA -0.894 56.926 58.000 -0.300 0.000 0.890 609 F CB 1.404 40.254 39.000 -0.251 0.000 1.334 609 F HN 0.857 nan 8.300 nan 0.000 0.459 610 K N 0.874 121.418 120.400 0.239 0.000 2.555 610 K HA 0.833 5.129 4.320 -0.040 0.000 0.279 610 K C -2.483 174.345 176.600 0.380 0.000 0.986 610 K CA -1.052 55.354 56.287 0.199 0.000 0.880 610 K CB 2.642 35.236 32.500 0.157 0.000 1.474 610 K HN 0.761 nan 8.250 nan 0.000 0.433 611 L N 1.476 122.923 121.223 0.372 0.000 2.381 611 L HA 0.571 4.887 4.340 -0.040 0.000 0.274 611 L C -0.594 176.533 176.870 0.428 0.000 0.988 611 L CA -0.567 54.519 54.840 0.410 0.000 0.824 611 L CB 2.065 44.389 42.059 0.441 0.000 1.263 611 L HN 0.567 nan 8.230 nan 0.000 0.410 612 R N 3.270 123.942 120.500 0.287 0.000 2.637 612 R HA 0.542 4.858 4.340 -0.040 0.000 0.291 612 R C -2.557 173.501 176.300 -0.403 0.000 0.963 612 R CA -1.919 54.226 56.100 0.075 0.000 0.901 612 R CB 1.666 32.055 30.300 0.148 0.000 1.160 612 R HN 0.299 nan 8.270 nan 0.000 0.457 613 P HA -0.040 nan 4.420 nan 0.000 0.265 613 P C -0.779 176.307 177.300 -0.357 0.000 1.193 613 P CA 0.203 62.695 63.100 -1.013 0.000 0.765 613 P CB 0.800 32.245 31.700 -0.424 0.000 0.823 614 E N 2.259 122.304 120.200 -0.257 0.000 2.675 614 E HA 0.439 4.765 4.350 -0.040 0.000 0.236 614 E C 0.713 177.306 176.600 -0.010 0.000 1.059 614 E CA -0.396 55.961 56.400 -0.073 0.000 0.775 614 E CB -0.589 29.085 29.700 -0.043 0.000 1.356 614 E HN 0.667 nan 8.360 nan 0.000 0.403 615 G N 3.295 112.102 108.800 0.011 0.000 2.160 615 G HA2 -0.362 3.575 3.960 -0.040 0.000 0.251 615 G HA3 -0.362 3.575 3.960 -0.040 0.000 0.251 615 G C 0.499 175.404 174.900 0.009 0.000 1.008 615 G CA 0.416 45.528 45.100 0.019 0.000 0.724 615 G HN 0.539 nan 8.290 nan 0.000 0.514 616 F N 0.111 119.943 119.950 -0.197 0.000 2.187 616 F HA 0.455 4.959 4.527 -0.039 0.000 0.295 616 F C 1.409 176.947 175.800 -0.436 0.000 1.091 616 F CA 0.598 58.385 58.000 -0.355 0.000 1.308 616 F CB 0.008 38.673 39.000 -0.558 0.000 1.030 616 F HN 0.139 nan 8.300 nan 0.000 0.487 617 F N 0.312 120.278 119.950 0.028 0.000 2.375 617 F HA 0.216 4.719 4.527 -0.040 0.000 0.317 617 F C 1.425 177.187 175.800 -0.063 0.000 1.124 617 F CA -0.712 57.257 58.000 -0.052 0.000 1.050 617 F CB 0.258 39.248 39.000 -0.017 0.000 1.314 617 F HN -0.276 nan 8.300 nan 0.000 0.511 618 D N -0.318 120.180 120.400 0.163 0.000 2.360 618 D HA 0.097 4.713 4.640 -0.040 0.000 0.210 618 D C 0.286 176.621 176.300 0.058 0.000 1.047 618 D CA 0.504 54.543 54.000 0.065 0.000 0.854 618 D CB 0.380 41.200 40.800 0.034 0.000 0.936 618 D HN 0.500 nan 8.370 nan 0.000 0.514 619 R N -1.862 118.686 120.500 0.080 0.000 2.855 619 R HA 0.239 4.555 4.340 -0.040 0.000 0.274 619 R C -0.750 175.552 176.300 0.004 0.000 0.997 619 R CA -0.747 55.371 56.100 0.030 0.000 0.856 619 R CB 0.390 30.693 30.300 0.005 0.000 1.378 619 R HN -0.172 nan 8.270 nan 0.000 0.462 620 S N 1.056 116.734 115.700 -0.036 0.000 2.563 620 S HA 0.109 4.555 4.470 -0.040 0.000 0.294 620 S C -1.304 173.190 174.600 -0.176 0.000 1.279 620 S CA -0.865 57.281 58.200 -0.090 0.000 1.069 620 S CB 0.472 63.641 63.200 -0.053 0.000 0.828 620 S HN 0.505 nan 8.310 nan 0.000 0.497 621 P HA 0.101 nan 4.420 nan 0.000 0.255 621 P C 0.515 177.702 177.300 -0.188 0.000 1.248 621 P CA 0.238 63.055 63.100 -0.472 0.000 0.807 621 P CB -0.172 30.761 31.700 -1.279 0.000 1.150 622 V N -3.942 115.910 119.914 -0.104 0.000 3.006 622 V HA 0.240 4.336 4.120 -0.040 0.000 0.357 622 V C 1.559 177.671 176.094 0.031 0.000 1.377 622 V CA -0.110 62.182 62.300 -0.014 0.000 1.198 622 V CB -0.796 31.043 31.823 0.027 0.000 1.216 622 V HN -0.124 nan 8.190 nan 0.000 0.520 623 L N 1.130 122.362 121.223 0.015 0.000 2.313 623 L HA 0.035 4.351 4.340 -0.040 0.000 0.214 623 L C 2.158 179.063 176.870 0.060 0.000 1.119 623 L CA 1.402 56.272 54.840 0.051 0.000 0.809 623 L CB -0.264 41.802 42.059 0.012 0.000 0.933 623 L HN 0.552 nan 8.230 nan 0.000 0.449 624 D N 0.459 120.875 120.400 0.026 0.000 2.328 624 D HA -0.028 4.588 4.640 -0.040 0.000 0.221 624 D C 0.712 177.019 176.300 0.011 0.000 1.072 624 D CA 0.022 54.032 54.000 0.017 0.000 0.850 624 D CB -0.392 40.406 40.800 -0.004 0.000 0.922 624 D HN 0.153 nan 8.370 nan 0.000 0.516 625 V N -0.578 119.348 119.914 0.020 0.000 2.555 625 V HA 0.375 4.471 4.120 -0.040 0.000 0.286 625 V C -2.213 173.883 176.094 0.003 0.000 1.044 625 V CA -1.519 60.782 62.300 0.003 0.000 1.026 625 V CB 0.741 32.568 31.823 0.007 0.000 0.981 625 V HN -0.106 nan 8.190 nan 0.000 0.480 626 P HA 0.244 nan 4.420 nan 0.000 0.272 626 P C 0.694 177.968 177.300 -0.042 0.000 1.240 626 P CA 0.208 63.300 63.100 -0.014 0.000 0.791 626 P CB 1.427 33.120 31.700 -0.011 0.000 0.978 627 A N 2.102 124.892 122.820 -0.050 0.000 1.877 627 A HA -0.168 4.129 4.320 -0.040 0.000 0.216 627 A C 1.017 178.565 177.584 -0.059 0.000 1.186 627 A CA 1.492 53.479 52.037 -0.084 0.000 0.620 627 A CB -1.746 17.216 19.000 -0.064 0.000 0.822 627 A HN 0.817 nan 8.150 nan 0.000 0.443 628 N N 0.000 118.681 118.700 -0.032 0.000 1.763 628 N HA 0.000 4.716 4.740 -0.040 0.000 0.220 628 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 628 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667