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 3fxi_1_A DATA FIRST_RESID 27 DATA SEQUENCE EPcVEVVPNI TYQcMELNFY KIPDNLPFST KNLDLSFNPL RHLGSYSFFS DATA SEQUENCE FPELQVLDLS RCEIQTIEDG AYQSLSHLST LILTGNPIQS LALGAFSGLS DATA SEQUENCE SLQKLVAVET NLASLENFPI GHLKTLKELN VAHNLIQSFK LPEYFSNLTN DATA SEQUENCE LEHLDLSSNK IQSIYCTDLR VLHQMPLLNL SLDLSLNPMN FIQPGAFKEI DATA SEQUENCE RLHKLTLRNN FDSLNVMKTC IQGLAGLEVH RLVLGEFRNE GNLEKFDKSA DATA SEQUENCE LEGLcNLTIE EFRLAYLDYY LDDIIDLFNc LTNVSSFSLV SVTIERVKDF DATA SEQUENCE SYNFGWQHLE LVNCKFGQFP TLKLKSLKRL TFTSNKGGNA FSEVDLPSLE DATA SEQUENCE FLDLSRNGLS FKGCCSQSDF GTTSLKYLDL SFNGVITMSS NFLGLEQLEH DATA SEQUENCE LDFQHSNLKQ MSEFSVFLSL RNLIYLDISH THTRVAFNGI FNGLSSLEVL DATA SEQUENCE KMAGNSFQEN FLPDIFTELR NLTFLDLSQC QLEQLSPTAF NSLSSLQVLN DATA SEQUENCE MSHNNFFSLD TFPYKCLNSL QVLDYSLNHI MTSKKQELQH FPSSLAFLNL DATA SEQUENCE TQNDFAcTcE HQSFLQWIKD QRQLLVEVER MEcATPSDKQ GMPVLSLNIT DATA SEQUENCE c 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 27 E HA 0.000 nan 4.350 nan 0.000 0.291 27 E C 0.000 176.692 176.600 0.153 0.000 1.382 27 E CA 0.000 56.472 56.400 0.121 0.000 0.976 27 E CB 0.000 29.749 29.700 0.082 0.000 0.812 28 P HA -0.046 nan 4.420 nan 0.000 0.236 28 P C 0.428 177.801 177.300 0.122 0.000 1.172 28 P CA 0.184 63.381 63.100 0.161 0.000 0.759 28 P CB -0.111 31.712 31.700 0.204 0.000 0.843 29 c N -0.033 118.658 118.600 0.151 0.000 2.767 29 c HA 0.180 5.169 4.570 0.698 0.000 0.353 29 c C 0.956 175.113 174.090 0.110 0.000 1.376 29 c CA -0.387 56.005 56.329 0.104 0.000 2.284 29 c CB 0.336 42.943 42.510 0.162 0.000 2.535 29 c HN 0.035 nan 8.230 nan 0.000 0.745 30 V N 1.398 121.371 119.914 0.098 0.000 2.384 30 V HA 0.275 4.813 4.120 0.698 0.000 0.287 30 V C 0.107 176.253 176.094 0.087 0.000 1.020 30 V CA -0.134 62.209 62.300 0.071 0.000 0.850 30 V CB 1.282 33.114 31.823 0.015 0.000 0.987 30 V HN 0.870 nan 8.190 nan 0.000 0.436 31 E N 3.981 124.222 120.200 0.069 0.000 1.941 31 E HA 0.230 4.999 4.350 0.698 0.000 0.275 31 E C 0.337 176.822 176.600 -0.192 0.000 1.113 31 E CA -0.286 56.051 56.400 -0.105 0.000 0.878 31 E CB 1.248 30.987 29.700 0.065 0.000 1.070 31 E HN 0.555 nan 8.360 nan 0.000 0.399 32 V N 3.939 123.696 119.914 -0.261 0.000 2.283 32 V HA -0.085 4.454 4.120 0.698 0.000 0.243 32 V C 0.659 176.642 176.094 -0.185 0.000 1.039 32 V CA 0.817 63.011 62.300 -0.177 0.000 1.016 32 V CB 0.260 31.995 31.823 -0.147 0.000 0.650 32 V HN 0.482 nan 8.190 nan 0.000 0.449 33 V N 2.735 122.488 119.914 -0.269 0.000 2.357 33 V HA 0.344 4.883 4.120 0.698 0.000 0.281 33 V C -2.520 173.424 176.094 -0.249 0.000 1.015 33 V CA -1.944 60.240 62.300 -0.194 0.000 0.827 33 V CB 1.246 32.984 31.823 -0.141 0.000 1.018 33 V HN 0.268 nan 8.190 nan 0.000 0.432 34 P HA -0.050 nan 4.420 nan 0.000 0.263 34 P C 0.489 177.799 177.300 0.017 0.000 1.168 34 P CA 0.685 63.748 63.100 -0.061 0.000 0.759 34 P CB 0.380 32.084 31.700 0.007 0.000 0.782 35 N N 0.546 119.352 118.700 0.177 0.000 2.809 35 N HA -0.181 4.978 4.740 0.698 0.000 0.244 35 N C 0.658 176.284 175.510 0.194 0.000 1.018 35 N CA 1.428 54.617 53.050 0.231 0.000 0.917 35 N CB -0.788 37.786 38.487 0.145 0.000 1.130 35 N HN 0.452 nan 8.380 nan 0.000 0.591 36 I N -2.212 118.403 120.570 0.076 0.000 3.990 36 I HA 0.092 4.681 4.170 0.698 0.000 0.275 36 I C 0.260 176.368 176.117 -0.016 0.000 1.157 36 I CA 0.937 62.260 61.300 0.038 0.000 1.338 36 I CB -0.185 37.806 38.000 -0.015 0.000 1.588 36 I HN -0.167 nan 8.210 nan 0.000 0.441 37 T N 2.400 116.814 114.554 -0.234 0.000 2.840 37 T HA 0.607 5.376 4.350 0.698 0.000 0.287 37 T C -1.321 173.089 174.700 -0.484 0.000 0.991 37 T CA -0.160 61.804 62.100 -0.225 0.000 0.964 37 T CB 1.424 70.200 68.868 -0.154 0.000 0.954 37 T HN -0.120 nan 8.240 nan 0.000 0.438 38 Y N 1.615 121.897 120.300 -0.030 0.000 2.425 38 Y HA 0.517 5.486 4.550 0.698 0.000 0.344 38 Y C 0.307 176.174 175.900 -0.055 0.000 0.969 38 Y CA -1.022 57.061 58.100 -0.028 0.000 1.052 38 Y CB 2.014 40.469 38.460 -0.009 0.000 1.215 38 Y HN 0.493 nan 8.280 nan 0.000 0.451 39 Q N 2.743 122.583 119.800 0.065 0.000 2.456 39 Q HA 0.403 5.162 4.340 0.698 0.000 0.252 39 Q C -1.309 174.681 176.000 -0.017 0.000 1.042 39 Q CA -0.394 55.412 55.803 0.005 0.000 0.766 39 Q CB 0.405 29.130 28.738 -0.021 0.000 1.196 39 Q HN 0.907 nan 8.270 nan 0.000 0.504 40 c N 5.024 123.588 118.600 -0.059 0.000 2.687 40 c HA 0.353 5.342 4.570 0.698 0.000 0.490 40 c C 0.367 174.297 174.090 -0.267 0.000 1.265 40 c CA -0.570 55.639 56.329 -0.200 0.000 1.569 40 c CB -1.316 41.043 42.510 -0.251 0.000 2.080 40 c HN 0.766 nan 8.230 nan 0.000 0.618 41 M N 1.812 121.323 119.600 -0.147 0.000 2.180 41 M HA 0.188 5.087 4.480 0.698 0.000 0.358 41 M C 0.547 176.791 176.300 -0.093 0.000 1.233 41 M CA 0.575 55.827 55.300 -0.079 0.000 1.114 41 M CB 0.248 32.852 32.600 0.006 0.000 1.594 41 M HN 0.661 nan 8.290 nan 0.000 0.467 42 E N 3.856 124.030 120.200 -0.043 0.000 2.291 42 E HA -0.190 4.578 4.350 0.698 0.000 0.181 42 E C -1.178 175.362 176.600 -0.099 0.000 1.480 42 E CA 0.244 56.626 56.400 -0.030 0.000 0.674 42 E CB -0.807 28.882 29.700 -0.018 0.000 1.108 42 E HN 0.752 nan 8.360 nan 0.000 0.357 43 L N 0.822 121.934 121.223 -0.186 0.000 3.366 43 L HA 0.281 5.040 4.340 0.698 0.000 0.304 43 L C 0.451 177.365 176.870 0.074 0.000 1.292 43 L CA -0.457 54.298 54.840 -0.142 0.000 1.012 43 L CB 0.130 41.954 42.059 -0.392 0.000 1.414 43 L HN 0.284 nan 8.230 nan 0.000 0.603 44 N N 0.313 119.049 118.700 0.061 0.000 2.721 44 N HA -0.217 4.942 4.740 0.698 0.000 0.249 44 N C -0.380 175.304 175.510 0.290 0.000 1.072 44 N CA 0.572 53.692 53.050 0.116 0.000 0.710 44 N CB -1.070 37.546 38.487 0.214 0.000 0.993 44 N HN 0.325 nan 8.380 nan 0.000 0.547 45 F N -0.276 119.644 119.950 -0.049 0.000 2.472 45 F HA 0.085 5.030 4.527 0.698 0.000 0.364 45 F C 1.049 176.800 175.800 -0.082 0.000 1.090 45 F CA -0.655 57.352 58.000 0.012 0.000 1.188 45 F CB 0.405 39.415 39.000 0.016 0.000 1.105 45 F HN 0.130 nan 8.300 nan 0.000 0.536 46 Y N 1.962 122.341 120.300 0.131 0.000 2.478 46 Y HA 0.084 5.053 4.550 0.698 0.000 0.261 46 Y C 0.370 176.291 175.900 0.035 0.000 1.127 46 Y CA -0.079 58.064 58.100 0.071 0.000 1.288 46 Y CB 0.227 38.708 38.460 0.036 0.000 1.084 46 Y HN 0.308 nan 8.280 nan 0.000 0.530 47 K N -0.487 119.994 120.400 0.135 0.000 2.527 47 K HA 0.447 5.185 4.320 0.698 0.000 0.260 47 K C -1.205 175.401 176.600 0.009 0.000 0.937 47 K CA -1.080 55.230 56.287 0.038 0.000 0.826 47 K CB 1.706 34.208 32.500 0.003 0.000 1.359 47 K HN -0.202 nan 8.250 nan 0.000 0.434 48 I N 3.548 124.108 120.570 -0.016 0.000 2.752 48 I HA -0.012 4.576 4.170 0.698 0.000 0.289 48 I C -1.523 174.614 176.117 0.032 0.000 1.197 48 I CA -0.765 60.558 61.300 0.038 0.000 1.432 48 I CB -0.428 37.525 38.000 -0.079 0.000 1.359 48 I HN 0.576 nan 8.210 nan 0.000 0.571 49 P HA 0.063 nan 4.420 nan 0.000 0.271 49 P C -0.438 176.911 177.300 0.082 0.000 1.244 49 P CA 0.020 63.155 63.100 0.059 0.000 0.793 49 P CB 0.877 32.721 31.700 0.241 0.000 0.984 50 D N -1.622 118.765 120.400 -0.021 0.000 2.345 50 D HA -0.087 4.971 4.640 0.698 0.000 0.290 50 D C 0.559 176.774 176.300 -0.143 0.000 1.107 50 D CA 0.074 54.002 54.000 -0.120 0.000 0.836 50 D CB -1.031 39.711 40.800 -0.097 0.000 1.406 50 D HN 0.529 nan 8.370 nan 0.000 0.532 51 N N 1.263 119.914 118.700 -0.081 0.000 2.535 51 N HA 0.075 5.234 4.740 0.698 0.000 0.203 51 N C -0.082 175.358 175.510 -0.117 0.000 1.301 51 N CA -0.031 52.971 53.050 -0.080 0.000 0.859 51 N CB 0.032 38.494 38.487 -0.041 0.000 1.055 51 N HN 0.147 nan 8.380 nan 0.000 0.457 52 L N -0.162 120.964 121.223 -0.161 0.000 2.342 52 L HA 0.550 5.309 4.340 0.698 0.000 0.271 52 L C -2.149 174.551 176.870 -0.283 0.000 1.008 52 L CA -2.509 52.181 54.840 -0.249 0.000 0.818 52 L CB 1.428 43.392 42.059 -0.158 0.000 1.296 52 L HN -0.149 nan 8.230 nan 0.000 0.427 53 P HA -0.033 nan 4.420 nan 0.000 0.269 53 P C -0.028 177.221 177.300 -0.086 0.000 1.205 53 P CA 0.274 63.340 63.100 -0.056 0.000 0.780 53 P CB 0.344 32.112 31.700 0.114 0.000 0.858 54 F N -0.455 119.536 119.950 0.069 0.000 2.569 54 F HA -0.058 4.887 4.527 0.698 0.000 0.295 54 F C 2.319 178.203 175.800 0.140 0.000 1.115 54 F CA 1.028 59.072 58.000 0.074 0.000 1.450 54 F CB -0.820 38.206 39.000 0.042 0.000 1.107 54 F HN 0.219 nan 8.300 nan 0.000 0.563 55 S N -1.422 114.466 115.700 0.314 0.000 2.515 55 S HA -0.055 4.833 4.470 0.698 0.000 0.231 55 S C 0.912 175.649 174.600 0.228 0.000 0.987 55 S CA 0.125 58.467 58.200 0.236 0.000 0.936 55 S CB -1.361 61.954 63.200 0.193 0.000 0.766 55 S HN 0.156 nan 8.310 nan 0.000 0.528 56 T N 3.075 117.797 114.554 0.280 0.000 2.849 56 T HA 0.051 4.819 4.350 0.698 0.000 0.289 56 T C 0.817 175.635 174.700 0.197 0.000 1.010 56 T CA 0.502 62.773 62.100 0.285 0.000 1.161 56 T CB 0.490 69.568 68.868 0.349 0.000 0.989 56 T HN 0.467 nan 8.240 nan 0.000 0.523 57 K N 1.694 122.169 120.400 0.124 0.000 2.399 57 K HA 0.141 4.880 4.320 0.698 0.000 0.196 57 K C 0.156 176.765 176.600 0.015 0.000 1.117 57 K CA 0.017 56.344 56.287 0.067 0.000 0.965 57 K CB 0.509 33.033 32.500 0.041 0.000 0.983 57 K HN 0.400 nan 8.250 nan 0.000 0.531 58 N N 1.488 120.192 118.700 0.006 0.000 2.491 58 N HA 0.238 5.397 4.740 0.698 0.000 0.274 58 N C -1.769 173.713 175.510 -0.047 0.000 1.023 58 N CA -0.451 52.576 53.050 -0.038 0.000 0.902 58 N CB 2.392 40.853 38.487 -0.043 0.000 1.267 58 N HN -0.058 nan 8.380 nan 0.000 0.503 59 L N 1.628 122.782 121.223 -0.115 0.000 2.381 59 L HA 0.482 5.241 4.340 0.698 0.000 0.274 59 L C -0.906 175.885 176.870 -0.132 0.000 0.988 59 L CA -0.401 54.349 54.840 -0.149 0.000 0.824 59 L CB 1.611 43.459 42.059 -0.352 0.000 1.263 59 L HN 0.350 nan 8.230 nan 0.000 0.410 60 D N 5.466 125.817 120.400 -0.082 0.000 2.414 60 D HA 0.284 5.342 4.640 0.698 0.000 0.232 60 D C -0.403 175.860 176.300 -0.061 0.000 1.070 60 D CA -0.133 53.829 54.000 -0.065 0.000 0.839 60 D CB 1.275 42.050 40.800 -0.041 0.000 1.079 60 D HN 0.683 nan 8.370 nan 0.000 0.521 61 L N 2.729 123.921 121.223 -0.052 0.000 3.141 61 L HA 0.181 4.940 4.340 0.698 0.000 0.267 61 L C 0.548 177.393 176.870 -0.043 0.000 1.281 61 L CA -0.321 54.497 54.840 -0.037 0.000 1.037 61 L CB 0.491 42.572 42.059 0.037 0.000 1.407 61 L HN 0.149 nan 8.230 nan 0.000 0.566 62 S N -0.218 115.456 115.700 -0.044 0.000 2.584 62 S HA 0.224 5.113 4.470 0.698 0.000 0.270 62 S C 0.397 175.004 174.600 0.012 0.000 1.346 62 S CA -0.234 57.915 58.200 -0.084 0.000 1.018 62 S CB 0.133 63.328 63.200 -0.007 0.000 0.899 62 S HN 0.356 nan 8.310 nan 0.000 0.542 63 F N 0.305 120.222 119.950 -0.054 0.000 3.004 63 F HA -0.214 4.732 4.527 0.697 0.000 0.264 63 F C 0.308 176.056 175.800 -0.086 0.000 0.979 63 F CA 0.198 58.161 58.000 -0.063 0.000 0.896 63 F CB -1.560 37.403 39.000 -0.062 0.000 0.813 63 F HN 0.445 nan 8.300 nan 0.000 0.804 64 N N 0.791 119.481 118.700 -0.016 0.000 2.249 64 N HA 0.321 5.480 4.740 0.698 0.000 0.296 64 N C -2.702 172.752 175.510 -0.093 0.000 1.051 64 N CA -1.585 51.433 53.050 -0.054 0.000 0.815 64 N CB 2.482 40.947 38.487 -0.038 0.000 1.487 64 N HN -0.243 nan 8.380 nan 0.000 0.475 65 P HA 0.173 nan 4.420 nan 0.000 0.252 65 P C 0.575 177.785 177.300 -0.151 0.000 1.727 65 P CA -0.079 62.895 63.100 -0.209 0.000 1.134 65 P CB 0.194 31.671 31.700 -0.371 0.000 1.876 66 L N 2.494 123.689 121.223 -0.048 0.000 2.071 66 L HA 0.018 4.777 4.340 0.698 0.000 0.201 66 L C 1.777 178.671 176.870 0.040 0.000 1.076 66 L CA 0.557 55.402 54.840 0.008 0.000 0.755 66 L CB -0.609 41.460 42.059 0.017 0.000 0.915 66 L HN 0.277 nan 8.230 nan 0.000 0.445 67 R N -1.708 118.813 120.500 0.035 0.000 3.997 67 R HA -0.258 4.500 4.340 0.698 0.000 0.431 67 R C -0.214 176.162 176.300 0.126 0.000 1.066 67 R CA 1.392 57.530 56.100 0.063 0.000 1.382 67 R CB -1.859 28.482 30.300 0.068 0.000 1.978 67 R HN 0.472 nan 8.270 nan 0.000 0.550 68 H N -0.560 118.501 119.070 -0.016 0.000 3.240 68 H HA 0.406 5.381 4.556 0.698 0.000 0.329 68 H C -1.766 173.522 175.328 -0.068 0.000 1.024 68 H CA -0.743 55.286 56.048 -0.032 0.000 1.487 68 H CB 0.914 30.663 29.762 -0.023 0.000 1.909 68 H HN 0.003 nan 8.280 nan 0.000 0.465 69 L N 5.173 126.214 121.223 -0.303 0.000 2.272 69 L HA 0.603 5.361 4.340 0.698 0.000 0.284 69 L C 0.752 177.285 176.870 -0.562 0.000 1.045 69 L CA 0.156 54.773 54.840 -0.372 0.000 0.842 69 L CB 0.785 42.687 42.059 -0.262 0.000 1.224 69 L HN 0.824 nan 8.230 nan 0.000 0.430 70 G N 1.841 110.319 108.800 -0.538 0.000 2.537 70 G HA2 0.413 4.792 3.960 0.698 0.000 0.297 70 G HA3 0.413 4.792 3.960 0.698 0.000 0.297 70 G C -0.492 174.244 174.900 -0.272 0.000 1.310 70 G CA -0.584 44.253 45.100 -0.438 0.000 1.027 70 G HN 0.498 nan 8.290 nan 0.000 0.505 71 S N -0.746 114.866 115.700 -0.145 0.000 2.552 71 S HA 0.091 4.980 4.470 0.698 0.000 0.289 71 S C -0.420 174.232 174.600 0.088 0.000 1.304 71 S CA 0.241 58.402 58.200 -0.065 0.000 1.063 71 S CB -0.181 63.059 63.200 0.066 0.000 0.848 71 S HN 0.484 nan 8.310 nan 0.000 0.499 72 Y N 0.662 120.946 120.300 -0.027 0.000 3.225 72 Y HA -0.279 4.690 4.550 0.698 0.000 0.211 72 Y C 1.690 177.638 175.900 0.080 0.000 1.223 72 Y CA 0.471 58.623 58.100 0.088 0.000 1.284 72 Y CB -2.591 35.956 38.460 0.144 0.000 1.367 72 Y HN 0.662 nan 8.280 nan 0.000 0.566 73 S N -1.197 114.437 115.700 -0.110 0.000 2.382 73 S HA -0.062 4.827 4.470 0.698 0.000 0.228 73 S C 0.349 174.566 174.600 -0.637 0.000 1.027 73 S CA 0.892 58.837 58.200 -0.425 0.000 0.991 73 S CB -0.068 62.689 63.200 -0.738 0.000 0.823 73 S HN 0.320 nan 8.310 nan 0.000 0.469 74 F N 1.049 120.968 119.950 -0.051 0.000 2.402 74 F HA 0.451 5.397 4.527 0.698 0.000 0.355 74 F C 0.248 176.100 175.800 0.088 0.000 1.123 74 F CA -1.340 56.660 58.000 -0.000 0.000 1.021 74 F CB 1.178 40.289 39.000 0.185 0.000 1.160 74 F HN 0.080 nan 8.300 nan 0.000 0.451 75 F N -2.367 117.726 119.950 0.238 0.000 2.828 75 F HA 0.194 5.139 4.527 0.698 0.000 0.368 75 F C 1.314 177.096 175.800 -0.030 0.000 0.877 75 F CA -0.157 57.928 58.000 0.143 0.000 1.071 75 F CB -0.598 38.471 39.000 0.115 0.000 1.006 75 F HN 0.104 nan 8.300 nan 0.000 0.598 76 S N 0.660 116.131 115.700 -0.381 0.000 2.547 76 S HA 0.075 4.964 4.470 0.698 0.000 0.235 76 S C -0.281 173.672 174.600 -1.078 0.000 0.980 76 S CA 0.639 58.361 58.200 -0.797 0.000 0.941 76 S CB -0.766 61.592 63.200 -1.403 0.000 0.763 76 S HN 0.335 nan 8.310 nan 0.000 0.532 77 F N 1.079 121.094 119.950 0.108 0.000 2.686 77 F HA 0.368 5.313 4.527 0.698 0.000 0.365 77 F C -2.028 173.881 175.800 0.181 0.000 1.196 77 F CA -2.327 55.745 58.000 0.119 0.000 1.198 77 F CB 1.133 40.173 39.000 0.068 0.000 1.454 77 F HN -0.106 nan 8.300 nan 0.000 0.539 78 P HA -0.029 nan 4.420 nan 0.000 0.235 78 P C 0.736 178.204 177.300 0.281 0.000 1.177 78 P CA 0.878 64.138 63.100 0.267 0.000 0.785 78 P CB 0.637 32.483 31.700 0.243 0.000 0.885 79 E N -0.372 120.013 120.200 0.309 0.000 2.423 79 E HA 0.237 5.006 4.350 0.698 0.000 0.198 79 E C 0.175 176.919 176.600 0.240 0.000 1.038 79 E CA -0.338 56.255 56.400 0.322 0.000 1.011 79 E CB -0.828 29.012 29.700 0.234 0.000 1.118 79 E HN 0.200 nan 8.360 nan 0.000 0.451 80 L N 1.168 122.522 121.223 0.219 0.000 2.416 80 L HA 0.106 4.865 4.340 0.698 0.000 0.272 80 L C 1.125 178.043 176.870 0.080 0.000 1.161 80 L CA 0.469 55.380 54.840 0.117 0.000 0.845 80 L CB 0.991 43.082 42.059 0.055 0.000 1.119 80 L HN 0.284 nan 8.230 nan 0.000 0.464 81 Q N 2.277 122.092 119.800 0.025 0.000 2.422 81 Q HA 0.194 4.953 4.340 0.698 0.000 0.255 81 Q C -0.745 175.225 176.000 -0.049 0.000 0.864 81 Q CA 0.235 56.040 55.803 0.003 0.000 0.968 81 Q CB 1.356 30.093 28.738 -0.001 0.000 1.130 81 Q HN 0.468 nan 8.270 nan 0.000 0.556 82 V N 2.121 121.993 119.914 -0.069 0.000 2.482 82 V HA 0.388 4.927 4.120 0.698 0.000 0.295 82 V C -1.240 174.771 176.094 -0.138 0.000 1.026 82 V CA -0.802 61.439 62.300 -0.098 0.000 0.856 82 V CB 1.918 33.694 31.823 -0.078 0.000 1.001 82 V HN 0.100 nan 8.190 nan 0.000 0.424 83 L N 3.635 124.755 121.223 -0.171 0.000 2.343 83 L HA 0.706 5.465 4.340 0.698 0.000 0.278 83 L C -0.776 176.002 176.870 -0.153 0.000 0.996 83 L CA 0.126 54.837 54.840 -0.215 0.000 0.831 83 L CB 1.654 43.514 42.059 -0.331 0.000 1.232 83 L HN 0.655 nan 8.230 nan 0.000 0.413 84 D N 5.330 125.658 120.400 -0.121 0.000 2.427 84 D HA 0.285 5.343 4.640 0.698 0.000 0.226 84 D C -0.235 176.029 176.300 -0.061 0.000 1.076 84 D CA -0.030 53.921 54.000 -0.082 0.000 0.849 84 D CB 0.940 41.698 40.800 -0.069 0.000 1.052 84 D HN 0.643 nan 8.370 nan 0.000 0.515 85 L N 2.525 123.725 121.223 -0.038 0.000 3.094 85 L HA 0.203 4.962 4.340 0.698 0.000 0.254 85 L C 0.559 177.381 176.870 -0.080 0.000 1.298 85 L CA -0.320 54.513 54.840 -0.012 0.000 1.050 85 L CB 0.385 42.498 42.059 0.089 0.000 1.420 85 L HN 0.112 nan 8.230 nan 0.000 0.548 86 S N 0.578 116.189 115.700 -0.148 0.000 2.537 86 S HA 0.112 5.000 4.470 0.698 0.000 0.286 86 S C 0.713 175.030 174.600 -0.471 0.000 1.299 86 S CA -0.187 57.861 58.200 -0.254 0.000 1.067 86 S CB 0.347 63.398 63.200 -0.248 0.000 0.864 86 S HN 0.455 nan 8.310 nan 0.000 0.494 87 R N 1.800 122.051 120.500 -0.414 0.000 3.127 87 R HA -0.172 4.587 4.340 0.698 0.000 0.247 87 R C -0.474 175.617 176.300 -0.350 0.000 0.896 87 R CA 0.311 56.137 56.100 -0.456 0.000 0.624 87 R CB -2.281 27.485 30.300 -0.890 0.000 1.154 87 R HN 0.716 nan 8.270 nan 0.000 0.474 88 C N 0.675 119.865 119.300 -0.182 0.000 2.863 88 C HA 0.196 5.074 4.460 0.698 0.000 0.284 88 C C 0.790 175.747 174.990 -0.055 0.000 1.426 88 C CA 0.052 59.006 59.018 -0.106 0.000 1.782 88 C CB -0.704 27.001 27.740 -0.059 0.000 2.554 88 C HN 0.851 nan 8.230 nan 0.000 0.566 89 E N 0.160 120.329 120.200 -0.051 0.000 2.971 89 E HA -0.244 4.524 4.350 0.698 0.000 0.271 89 E C -0.042 176.560 176.600 0.003 0.000 1.053 89 E CA 0.427 56.815 56.400 -0.019 0.000 0.817 89 E CB -1.126 28.566 29.700 -0.014 0.000 1.410 89 E HN 0.723 nan 8.360 nan 0.000 0.445 90 I N 1.416 121.990 120.570 0.008 0.000 2.752 90 I HA -0.144 4.444 4.170 0.698 0.000 0.286 90 I C 1.798 177.940 176.117 0.041 0.000 1.180 90 I CA 0.983 62.303 61.300 0.033 0.000 1.404 90 I CB 0.297 38.324 38.000 0.046 0.000 1.389 90 I HN 0.207 nan 8.210 nan 0.000 0.549 91 Q N 4.101 123.933 119.800 0.054 0.000 2.394 91 Q HA 0.052 4.811 4.340 0.698 0.000 0.218 91 Q C -0.015 176.025 176.000 0.066 0.000 0.907 91 Q CA 0.652 56.487 55.803 0.054 0.000 0.919 91 Q CB 0.704 29.470 28.738 0.047 0.000 1.051 91 Q HN 0.830 nan 8.270 nan 0.000 0.538 92 T N -1.564 113.045 114.554 0.092 0.000 3.032 92 T HA 0.583 5.351 4.350 0.698 0.000 0.312 92 T C -0.640 174.068 174.700 0.012 0.000 1.078 92 T CA -0.699 61.452 62.100 0.085 0.000 1.028 92 T CB 1.329 70.288 68.868 0.152 0.000 1.091 92 T HN 0.076 nan 8.240 nan 0.000 0.457 93 I N 2.563 123.102 120.570 -0.053 0.000 2.406 93 I HA 0.417 5.006 4.170 0.698 0.000 0.290 93 I C 0.353 176.363 176.117 -0.178 0.000 0.999 93 I CA -0.824 60.381 61.300 -0.159 0.000 1.124 93 I CB 1.909 39.813 38.000 -0.159 0.000 1.289 93 I HN 0.705 nan 8.210 nan 0.000 0.441 94 E N 4.187 124.248 120.200 -0.232 0.000 2.302 94 E HA 0.250 5.019 4.350 0.698 0.000 0.255 94 E C -0.882 175.602 176.600 -0.194 0.000 1.099 94 E CA -0.936 55.358 56.400 -0.177 0.000 0.929 94 E CB 0.895 30.498 29.700 -0.162 0.000 1.203 94 E HN 0.434 nan 8.360 nan 0.000 0.459 95 D N 0.661 120.976 120.400 -0.142 0.000 2.487 95 D HA 0.070 5.128 4.640 0.698 0.000 0.243 95 D C 0.413 176.608 176.300 -0.175 0.000 1.154 95 D CA 0.893 54.809 54.000 -0.139 0.000 0.876 95 D CB 0.585 41.330 40.800 -0.091 0.000 1.161 95 D HN 0.724 nan 8.370 nan 0.000 0.478 96 G N 2.444 111.129 108.800 -0.192 0.000 2.367 96 G HA2 -0.184 4.195 3.960 0.698 0.000 0.295 96 G HA3 -0.184 4.195 3.960 0.698 0.000 0.295 96 G C 0.950 175.640 174.900 -0.350 0.000 1.019 96 G CA 0.222 45.163 45.100 -0.265 0.000 1.224 96 G HN 0.647 nan 8.290 nan 0.000 0.510 97 A N -0.201 122.423 122.820 -0.326 0.000 1.984 97 A HA 0.411 5.150 4.320 0.698 0.000 0.214 97 A C 1.340 178.679 177.584 -0.408 0.000 1.173 97 A CA 1.516 53.268 52.037 -0.474 0.000 0.673 97 A CB 0.123 18.696 19.000 -0.712 0.000 0.830 97 A HN 0.875 nan 8.150 nan 0.000 0.453 98 Y N -0.931 119.379 120.300 0.018 0.000 2.720 98 Y HA 0.286 5.255 4.550 0.698 0.000 0.268 98 Y C 1.657 177.560 175.900 0.006 0.000 1.142 98 Y CA -0.334 57.837 58.100 0.119 0.000 1.193 98 Y CB -0.030 38.511 38.460 0.136 0.000 1.176 98 Y HN 0.286 nan 8.280 nan 0.000 0.542 99 Q N 1.881 121.638 119.800 -0.073 0.000 2.197 99 Q HA -0.184 4.574 4.340 0.698 0.000 0.207 99 Q C 1.734 177.745 176.000 0.018 0.000 0.984 99 Q CA 2.221 57.925 55.803 -0.164 0.000 0.869 99 Q CB -0.168 28.169 28.738 -0.669 0.000 0.906 99 Q HN 0.411 nan 8.270 nan 0.000 0.426 100 S N -1.447 114.331 115.700 0.130 0.000 2.622 100 S HA 0.259 5.147 4.470 0.698 0.000 0.236 100 S C 0.144 174.840 174.600 0.160 0.000 0.956 100 S CA -0.433 57.886 58.200 0.199 0.000 0.971 100 S CB -0.064 63.329 63.200 0.322 0.000 0.782 100 S HN 0.280 nan 8.310 nan 0.000 0.468 101 L N 2.700 124.002 121.223 0.133 0.000 2.719 101 L HA 0.339 5.098 4.340 0.698 0.000 0.236 101 L C 1.423 178.296 176.870 0.004 0.000 1.221 101 L CA -0.410 54.485 54.840 0.091 0.000 1.048 101 L CB 0.521 42.652 42.059 0.120 0.000 1.364 101 L HN 0.432 nan 8.230 nan 0.000 0.447 102 S N -1.481 114.159 115.700 -0.100 0.000 2.453 102 S HA -0.121 4.768 4.470 0.698 0.000 0.231 102 S C 1.496 175.996 174.600 -0.168 0.000 1.005 102 S CA 0.671 58.766 58.200 -0.174 0.000 0.949 102 S CB -0.192 62.837 63.200 -0.284 0.000 0.774 102 S HN 0.546 nan 8.310 nan 0.000 0.510 103 H N 0.168 119.261 119.070 0.038 0.000 2.592 103 H HA 0.378 5.353 4.556 0.698 0.000 0.265 103 H C 0.436 175.761 175.328 -0.007 0.000 0.955 103 H CA -0.417 55.643 56.048 0.019 0.000 1.175 103 H CB -0.331 29.451 29.762 0.034 0.000 1.433 103 H HN 0.341 nan 8.280 nan 0.000 0.537 104 L N 2.802 124.066 121.223 0.070 0.000 2.584 104 L HA -0.052 4.707 4.340 0.698 0.000 0.272 104 L C 1.231 178.076 176.870 -0.040 0.000 1.195 104 L CA 0.376 55.210 54.840 -0.009 0.000 0.920 104 L CB 0.632 42.651 42.059 -0.066 0.000 1.173 104 L HN 0.095 nan 8.230 nan 0.000 0.489 105 S N 0.671 116.340 115.700 -0.052 0.000 2.524 105 S HA 0.252 5.141 4.470 0.698 0.000 0.222 105 S C 0.531 175.072 174.600 -0.099 0.000 1.040 105 S CA 0.052 58.212 58.200 -0.066 0.000 0.915 105 S CB 0.207 63.381 63.200 -0.044 0.000 0.831 105 S HN 0.618 nan 8.310 nan 0.000 0.492 106 T N 2.839 117.327 114.554 -0.110 0.000 2.879 106 T HA 0.669 5.437 4.350 0.698 0.000 0.290 106 T C -1.737 172.868 174.700 -0.158 0.000 0.993 106 T CA -0.411 61.613 62.100 -0.125 0.000 0.975 106 T CB 1.822 70.630 68.868 -0.100 0.000 0.981 106 T HN 0.240 nan 8.240 nan 0.000 0.439 107 L N 4.809 125.923 121.223 -0.181 0.000 2.376 107 L HA 0.704 5.463 4.340 0.698 0.000 0.275 107 L C -1.548 175.240 176.870 -0.137 0.000 0.987 107 L CA -0.657 54.061 54.840 -0.204 0.000 0.828 107 L CB 0.995 42.866 42.059 -0.312 0.000 1.249 107 L HN 0.658 nan 8.230 nan 0.000 0.409 108 I N 6.533 127.044 120.570 -0.097 0.000 2.382 108 I HA 0.315 4.904 4.170 0.698 0.000 0.286 108 I C 0.025 176.127 176.117 -0.025 0.000 1.002 108 I CA -0.298 60.966 61.300 -0.060 0.000 1.135 108 I CB 1.539 39.501 38.000 -0.064 0.000 1.288 108 I HN 0.581 nan 8.210 nan 0.000 0.448 109 L N 4.972 126.199 121.223 0.006 0.000 3.202 109 L HA 0.217 4.975 4.340 0.698 0.000 0.278 109 L C 0.306 177.181 176.870 0.007 0.000 1.268 109 L CA -0.087 54.777 54.840 0.040 0.000 1.034 109 L CB 0.353 42.489 42.059 0.129 0.000 1.407 109 L HN 0.576 nan 8.230 nan 0.000 0.581 110 T N 1.129 115.666 114.554 -0.027 0.000 2.905 110 T HA 0.166 4.935 4.350 0.698 0.000 0.299 110 T C 1.256 175.912 174.700 -0.074 0.000 1.024 110 T CA 1.121 63.196 62.100 -0.042 0.000 1.151 110 T CB 0.597 69.438 68.868 -0.044 0.000 0.987 110 T HN 0.657 nan 8.240 nan 0.000 0.535 111 G N 3.328 112.089 108.800 -0.065 0.000 2.246 111 G HA2 -0.231 4.147 3.960 0.698 0.000 0.273 111 G HA3 -0.231 4.147 3.960 0.698 0.000 0.273 111 G C -0.069 174.786 174.900 -0.076 0.000 1.055 111 G CA -0.553 44.497 45.100 -0.082 0.000 0.851 111 G HN 0.736 nan 8.290 nan 0.000 0.500 112 N N 0.637 119.311 118.700 -0.044 0.000 2.400 112 N HA 0.430 5.589 4.740 0.698 0.000 0.288 112 N C -2.521 172.984 175.510 -0.007 0.000 1.024 112 N CA -1.518 51.519 53.050 -0.021 0.000 0.894 112 N CB 2.395 40.888 38.487 0.011 0.000 1.173 112 N HN 0.056 nan 8.380 nan 0.000 0.487 113 P HA 0.208 nan 4.420 nan 0.000 0.244 113 P C -0.044 177.269 177.300 0.022 0.000 1.769 113 P CA 0.016 63.117 63.100 0.001 0.000 1.102 113 P CB -0.139 31.560 31.700 -0.001 0.000 1.937 114 I N 2.829 123.420 120.570 0.036 0.000 2.471 114 I HA 0.019 4.608 4.170 0.698 0.000 0.286 114 I C 1.613 177.761 176.117 0.052 0.000 1.079 114 I CA 0.127 61.462 61.300 0.058 0.000 1.398 114 I CB 1.021 39.078 38.000 0.095 0.000 1.403 114 I HN 0.203 nan 8.210 nan 0.000 0.530 115 Q N 3.003 122.833 119.800 0.050 0.000 2.511 115 Q HA 0.174 4.933 4.340 0.698 0.000 0.236 115 Q C 0.302 176.332 176.000 0.049 0.000 0.893 115 Q CA 0.484 56.313 55.803 0.044 0.000 0.947 115 Q CB 0.866 29.625 28.738 0.035 0.000 1.110 115 Q HN 0.606 nan 8.270 nan 0.000 0.591 116 S N 0.555 116.285 115.700 0.050 0.000 2.605 116 S HA 0.520 5.409 4.470 0.698 0.000 0.308 116 S C -1.631 172.989 174.600 0.033 0.000 1.113 116 S CA -0.490 57.736 58.200 0.043 0.000 1.049 116 S CB 0.668 63.891 63.200 0.039 0.000 1.001 116 S HN 0.106 nan 8.310 nan 0.000 0.480 117 L N 5.189 126.431 121.223 0.032 0.000 2.353 117 L HA 0.709 5.467 4.340 0.698 0.000 0.270 117 L C 0.279 177.123 176.870 -0.042 0.000 1.003 117 L CA -0.196 54.641 54.840 -0.006 0.000 0.862 117 L CB 0.808 42.910 42.059 0.071 0.000 1.221 117 L HN 0.798 nan 8.230 nan 0.000 0.430 118 A N 3.989 126.755 122.820 -0.090 0.000 2.565 118 A HA 0.030 4.768 4.320 0.698 0.000 0.237 118 A C 1.458 178.984 177.584 -0.096 0.000 1.053 118 A CA 0.253 52.237 52.037 -0.088 0.000 0.755 118 A CB 0.031 18.964 19.000 -0.112 0.000 0.980 118 A HN 0.972 nan 8.150 nan 0.000 0.506 119 L N 2.187 123.377 121.223 -0.055 0.000 2.197 119 L HA -0.158 4.600 4.340 0.698 0.000 0.215 119 L C 1.592 178.422 176.870 -0.067 0.000 1.095 119 L CA 1.793 56.608 54.840 -0.042 0.000 0.764 119 L CB -0.009 42.035 42.059 -0.026 0.000 0.897 119 L HN 0.835 nan 8.230 nan 0.000 0.436 120 G N -2.531 106.210 108.800 -0.098 0.000 4.864 120 G HA2 0.411 4.789 3.960 0.698 0.000 0.280 120 G HA3 0.411 4.789 3.960 0.698 0.000 0.280 120 G C 0.798 175.612 174.900 -0.143 0.000 1.239 120 G CA 0.304 45.336 45.100 -0.113 0.000 0.951 120 G HN 0.326 nan 8.290 nan 0.000 0.583 121 A N 0.210 122.883 122.820 -0.244 0.000 1.930 121 A HA 0.215 4.953 4.320 0.698 0.000 0.217 121 A C 1.276 178.677 177.584 -0.306 0.000 1.175 121 A CA 0.827 52.628 52.037 -0.393 0.000 0.627 121 A CB -0.269 18.325 19.000 -0.676 0.000 0.815 121 A HN 0.354 nan 8.150 nan 0.000 0.443 122 F N 1.271 121.271 119.950 0.083 0.000 2.660 122 F HA 0.183 5.129 4.527 0.698 0.000 0.297 122 F C 1.158 177.075 175.800 0.195 0.000 1.132 122 F CA -0.338 57.723 58.000 0.101 0.000 1.372 122 F CB -0.388 38.569 39.000 -0.071 0.000 1.003 122 F HN 0.108 nan 8.300 nan 0.000 0.524 123 S N -0.676 115.152 115.700 0.213 0.000 2.523 123 S HA 0.592 5.481 4.470 0.698 0.000 0.275 123 S C 1.123 175.779 174.600 0.094 0.000 1.281 123 S CA 0.126 58.383 58.200 0.096 0.000 1.050 123 S CB 1.387 64.528 63.200 -0.098 0.000 0.937 123 S HN 0.676 nan 8.310 nan 0.000 0.492 124 G N 1.645 110.501 108.800 0.094 0.000 2.278 124 G HA2 -0.186 4.193 3.960 0.698 0.000 0.210 124 G HA3 -0.186 4.193 3.960 0.698 0.000 0.210 124 G C -0.029 174.911 174.900 0.066 0.000 1.000 124 G CA -0.246 44.892 45.100 0.065 0.000 0.635 124 G HN 0.667 nan 8.290 nan 0.000 0.495 125 L N 3.742 125.015 121.223 0.084 0.000 2.437 125 L HA 0.373 5.132 4.340 0.698 0.000 0.243 125 L C 1.952 178.823 176.870 0.000 0.000 1.346 125 L CA 0.937 55.786 54.840 0.015 0.000 1.233 125 L CB -0.617 41.418 42.059 -0.041 0.000 1.436 125 L HN 0.498 nan 8.230 nan 0.000 0.416 126 S N -2.150 113.556 115.700 0.010 0.000 2.603 126 S HA -0.013 4.876 4.470 0.698 0.000 0.229 126 S C 1.219 175.815 174.600 -0.008 0.000 0.972 126 S CA 0.317 58.523 58.200 0.009 0.000 0.935 126 S CB 0.094 63.301 63.200 0.012 0.000 0.769 126 S HN 0.448 nan 8.310 nan 0.000 0.536 127 S N 0.375 116.065 115.700 -0.017 0.000 2.780 127 S HA 0.369 5.258 4.470 0.698 0.000 0.248 127 S C -0.162 174.411 174.600 -0.046 0.000 1.036 127 S CA -0.598 57.594 58.200 -0.014 0.000 1.061 127 S CB 0.112 63.330 63.200 0.029 0.000 1.037 127 S HN 0.399 nan 8.310 nan 0.000 0.584 128 L N 2.915 124.089 121.223 -0.082 0.000 2.477 128 L HA 0.168 4.927 4.340 0.698 0.000 0.272 128 L C 1.027 177.825 176.870 -0.120 0.000 1.157 128 L CA 1.040 55.806 54.840 -0.123 0.000 0.889 128 L CB 0.433 42.380 42.059 -0.187 0.000 1.158 128 L HN 0.185 nan 8.230 nan 0.000 0.473 129 Q N 3.032 122.770 119.800 -0.104 0.000 2.442 129 Q HA 0.133 4.892 4.340 0.698 0.000 0.228 129 Q C 0.050 175.995 176.000 -0.093 0.000 0.902 129 Q CA 0.269 56.020 55.803 -0.087 0.000 0.933 129 Q CB 0.731 29.432 28.738 -0.062 0.000 1.071 129 Q HN 0.529 nan 8.270 nan 0.000 0.562 130 K N 1.232 121.569 120.400 -0.106 0.000 2.413 130 K HA 0.372 5.110 4.320 0.698 0.000 0.257 130 K C -1.883 174.637 176.600 -0.134 0.000 0.946 130 K CA -0.522 55.704 56.287 -0.102 0.000 0.823 130 K CB 1.292 33.739 32.500 -0.088 0.000 1.109 130 K HN -0.086 nan 8.250 nan 0.000 0.427 131 L N 5.478 126.622 121.223 -0.132 0.000 2.343 131 L HA 0.415 5.174 4.340 0.698 0.000 0.278 131 L C -1.599 175.223 176.870 -0.080 0.000 0.996 131 L CA -0.542 54.201 54.840 -0.161 0.000 0.831 131 L CB 1.803 43.717 42.059 -0.242 0.000 1.232 131 L HN 0.367 nan 8.230 nan 0.000 0.413 132 V N 5.120 124.993 119.914 -0.067 0.000 2.311 132 V HA 0.689 5.228 4.120 0.698 0.000 0.275 132 V C 0.608 176.707 176.094 0.009 0.000 1.022 132 V CA -0.031 62.253 62.300 -0.027 0.000 0.830 132 V CB 0.955 32.755 31.823 -0.039 0.000 1.012 132 V HN 0.900 nan 8.190 nan 0.000 0.452 133 A N 4.823 127.664 122.820 0.035 0.000 2.985 133 A HA 0.598 5.336 4.320 0.698 0.000 0.303 133 A C -0.069 177.517 177.584 0.003 0.000 1.048 133 A CA -0.285 51.788 52.037 0.060 0.000 1.016 133 A CB 0.234 19.322 19.000 0.147 0.000 1.118 133 A HN 0.559 nan 8.150 nan 0.000 0.529 134 V N 1.087 121.002 119.914 0.001 0.000 2.555 134 V HA 0.138 4.676 4.120 0.698 0.000 0.286 134 V C 0.979 177.057 176.094 -0.028 0.000 1.044 134 V CA 0.292 62.594 62.300 0.003 0.000 1.026 134 V CB 0.615 32.452 31.823 0.024 0.000 0.981 134 V HN 0.955 nan 8.190 nan 0.000 0.480 135 E N 3.363 123.519 120.200 -0.073 0.000 2.273 135 E HA -0.236 4.533 4.350 0.698 0.000 0.177 135 E C 0.406 176.934 176.600 -0.121 0.000 1.511 135 E CA 0.703 56.976 56.400 -0.211 0.000 0.675 135 E CB -0.650 28.837 29.700 -0.356 0.000 1.094 135 E HN 1.051 nan 8.360 nan 0.000 0.348 136 T N -0.190 114.319 114.554 -0.075 0.000 3.339 136 T HA 0.249 5.018 4.350 0.698 0.000 0.292 136 T C 0.500 175.192 174.700 -0.014 0.000 1.012 136 T CA 0.119 62.207 62.100 -0.020 0.000 0.937 136 T CB 0.154 69.046 68.868 0.040 0.000 1.164 136 T HN 0.408 nan 8.240 nan 0.000 0.509 137 N N 0.248 118.919 118.700 -0.048 0.000 2.732 137 N HA -0.165 4.994 4.740 0.698 0.000 0.250 137 N C -0.141 175.359 175.510 -0.017 0.000 1.097 137 N CA 0.472 53.504 53.050 -0.030 0.000 0.812 137 N CB -1.712 36.771 38.487 -0.007 0.000 1.148 137 N HN 0.763 nan 8.380 nan 0.000 0.572 138 L N -0.039 121.160 121.223 -0.040 0.000 2.562 138 L HA 0.163 4.922 4.340 0.698 0.000 0.271 138 L C 1.352 178.196 176.870 -0.043 0.000 1.167 138 L CA 0.605 55.407 54.840 -0.063 0.000 0.917 138 L CB 0.310 42.248 42.059 -0.202 0.000 1.187 138 L HN 0.313 nan 8.230 nan 0.000 0.482 139 A N 3.287 126.104 122.820 -0.005 0.000 2.115 139 A HA 0.174 4.912 4.320 0.698 0.000 0.211 139 A C 0.757 178.354 177.584 0.021 0.000 1.169 139 A CA 0.451 52.494 52.037 0.011 0.000 0.787 139 A CB 0.273 19.289 19.000 0.027 0.000 0.858 139 A HN 0.589 nan 8.150 nan 0.000 0.474 140 S N -1.506 114.211 115.700 0.029 0.000 2.543 140 S HA 0.454 5.343 4.470 0.698 0.000 0.271 140 S C -0.093 174.553 174.600 0.076 0.000 1.148 140 S CA -0.564 57.667 58.200 0.052 0.000 0.914 140 S CB 1.141 64.386 63.200 0.074 0.000 1.096 140 S HN 0.152 nan 8.310 nan 0.000 0.471 141 L N 3.754 125.024 121.223 0.080 0.000 2.376 141 L HA 0.227 4.985 4.340 0.698 0.000 0.219 141 L C 2.229 179.279 176.870 0.301 0.000 1.133 141 L CA 1.525 56.463 54.840 0.163 0.000 0.816 141 L CB -0.431 41.687 42.059 0.098 0.000 0.933 141 L HN 0.725 nan 8.230 nan 0.000 0.449 142 E N 0.108 120.426 120.200 0.197 0.000 2.058 142 E HA -0.183 4.586 4.350 0.698 0.000 0.194 142 E C 1.242 178.037 176.600 0.324 0.000 0.997 142 E CA 1.248 57.779 56.400 0.219 0.000 0.801 142 E CB -0.216 29.558 29.700 0.124 0.000 0.746 142 E HN 0.570 nan 8.360 nan 0.000 0.450 143 N N -0.136 118.733 118.700 0.280 0.000 2.270 143 N HA -0.025 5.133 4.740 0.698 0.000 0.198 143 N C -0.192 175.508 175.510 0.317 0.000 1.117 143 N CA -0.128 53.077 53.050 0.258 0.000 0.845 143 N CB 0.060 38.655 38.487 0.180 0.000 0.980 143 N HN -0.016 nan 8.380 nan 0.000 0.486 144 F N 4.891 124.958 119.950 0.197 0.000 2.519 144 F HA 0.144 5.090 4.527 0.698 0.000 0.375 144 F C -1.542 174.283 175.800 0.042 0.000 1.084 144 F CA -2.646 55.453 58.000 0.165 0.000 1.147 144 F CB 0.617 39.745 39.000 0.214 0.000 1.088 144 F HN -0.032 nan 8.300 nan 0.000 0.555 145 P HA 0.033 nan 4.420 nan 0.000 0.235 145 P C 0.460 177.681 177.300 -0.132 0.000 1.765 145 P CA 0.574 63.612 63.100 -0.104 0.000 1.034 145 P CB -0.694 30.994 31.700 -0.020 0.000 1.984 146 I N -3.494 116.820 120.570 -0.427 0.000 4.327 146 I HA 0.313 4.902 4.170 0.698 0.000 0.331 146 I C 1.832 177.615 176.117 -0.556 0.000 1.348 146 I CA -0.159 60.833 61.300 -0.513 0.000 1.152 146 I CB -0.373 37.327 38.000 -0.500 0.000 1.151 146 I HN -0.071 nan 8.210 nan 0.000 0.410 147 G N 2.694 111.111 108.800 -0.639 0.000 2.591 147 G HA2 -0.275 4.104 3.960 0.698 0.000 0.218 147 G HA3 -0.275 4.104 3.960 0.698 0.000 0.218 147 G C 1.400 176.257 174.900 -0.072 0.000 1.113 147 G CA 1.529 46.430 45.100 -0.332 0.000 0.740 147 G HN 0.796 nan 8.290 nan 0.000 0.569 148 H N -1.384 117.612 119.070 -0.123 0.000 2.705 148 H HA 0.224 5.199 4.556 0.698 0.000 0.269 148 H C 0.785 176.072 175.328 -0.069 0.000 0.998 148 H CA -0.542 55.466 56.048 -0.067 0.000 1.193 148 H CB -0.248 29.483 29.762 -0.053 0.000 1.485 148 H HN 0.195 nan 8.280 nan 0.000 0.521 149 L N 4.228 125.143 121.223 -0.513 0.000 2.415 149 L HA 0.093 4.851 4.340 0.698 0.000 0.269 149 L C 1.896 178.649 176.870 -0.195 0.000 1.244 149 L CA -0.231 54.397 54.840 -0.354 0.000 1.113 149 L CB 0.499 42.292 42.059 -0.444 0.000 1.352 149 L HN 0.269 nan 8.230 nan 0.000 0.433 150 K N -0.081 120.255 120.400 -0.107 0.000 2.211 150 K HA -0.129 4.610 4.320 0.698 0.000 0.203 150 K C 1.486 178.039 176.600 -0.077 0.000 1.050 150 K CA 1.644 57.886 56.287 -0.074 0.000 0.945 150 K CB -0.246 32.234 32.500 -0.033 0.000 0.732 150 K HN 0.550 nan 8.250 nan 0.000 0.451 151 T N -0.374 114.133 114.554 -0.079 0.000 3.118 151 T HA 0.038 4.807 4.350 0.698 0.000 0.260 151 T C 0.779 175.428 174.700 -0.085 0.000 1.139 151 T CA -0.352 61.706 62.100 -0.069 0.000 1.085 151 T CB -0.270 68.564 68.868 -0.055 0.000 0.934 151 T HN 0.109 nan 8.240 nan 0.000 0.518 152 L N 2.195 123.348 121.223 -0.117 0.000 2.654 152 L HA 0.163 4.922 4.340 0.698 0.000 0.271 152 L C 1.177 177.991 176.870 -0.093 0.000 1.169 152 L CA 0.454 55.218 54.840 -0.126 0.000 0.947 152 L CB 0.194 42.149 42.059 -0.173 0.000 1.232 152 L HN 0.107 nan 8.230 nan 0.000 0.486 153 K N 3.330 123.693 120.400 -0.062 0.000 2.141 153 K HA 0.068 4.807 4.320 0.698 0.000 0.202 153 K C -0.187 176.427 176.600 0.024 0.000 1.045 153 K CA 0.851 57.126 56.287 -0.021 0.000 0.971 153 K CB 0.244 32.744 32.500 0.001 0.000 0.795 153 K HN 0.764 nan 8.250 nan 0.000 0.459 154 E N 1.150 121.360 120.200 0.016 0.000 2.272 154 E HA 0.308 5.077 4.350 0.698 0.000 0.269 154 E C -1.290 175.313 176.600 0.004 0.000 0.877 154 E CA -0.697 55.736 56.400 0.056 0.000 0.755 154 E CB 1.754 31.491 29.700 0.062 0.000 1.192 154 E HN -0.113 nan 8.360 nan 0.000 0.422 155 L N 3.772 125.016 121.223 0.036 0.000 2.377 155 L HA 0.433 5.192 4.340 0.698 0.000 0.270 155 L C -1.362 175.544 176.870 0.061 0.000 0.991 155 L CA -0.388 54.474 54.840 0.036 0.000 0.851 155 L CB 1.057 43.149 42.059 0.054 0.000 1.218 155 L HN 0.862 nan 8.230 nan 0.000 0.420 156 N N 4.272 122.992 118.700 0.033 0.000 2.485 156 N HA 0.370 5.528 4.740 0.698 0.000 0.243 156 N C -0.066 175.454 175.510 0.017 0.000 0.987 156 N CA -0.381 52.685 53.050 0.027 0.000 0.940 156 N CB 1.192 39.680 38.487 0.003 0.000 1.122 156 N HN 0.479 nan 8.380 nan 0.000 0.509 157 V N 1.592 121.514 119.914 0.014 0.000 2.727 157 V HA 0.566 5.105 4.120 0.698 0.000 0.336 157 V C 0.402 176.491 176.094 -0.008 0.000 1.228 157 V CA -0.753 61.529 62.300 -0.030 0.000 1.270 157 V CB -0.151 31.617 31.823 -0.092 0.000 1.486 157 V HN 0.539 nan 8.190 nan 0.000 0.638 158 A N 0.034 122.864 122.820 0.017 0.000 2.304 158 A HA 0.653 5.392 4.320 0.698 0.000 0.271 158 A C 0.649 178.294 177.584 0.101 0.000 1.091 158 A CA 0.141 52.200 52.037 0.037 0.000 0.812 158 A CB -0.184 18.828 19.000 0.020 0.000 1.056 158 A HN 1.317 nan 8.150 nan 0.000 0.489 159 H N -0.231 118.811 119.070 -0.046 0.000 2.889 159 H HA -0.126 4.848 4.556 0.698 0.000 0.324 159 H C -0.439 174.866 175.328 -0.039 0.000 1.274 159 H CA 0.521 56.541 56.048 -0.047 0.000 1.176 159 H CB -1.119 28.614 29.762 -0.049 0.000 1.479 159 H HN 0.767 nan 8.280 nan 0.000 0.438 160 N N 0.216 118.952 118.700 0.061 0.000 2.831 160 N HA 0.265 5.424 4.740 0.698 0.000 0.276 160 N C 0.607 176.120 175.510 0.005 0.000 1.416 160 N CA -0.609 52.434 53.050 -0.012 0.000 0.799 160 N CB 1.126 39.586 38.487 -0.045 0.000 1.554 160 N HN 0.153 nan 8.380 nan 0.000 0.541 161 L N 1.016 122.233 121.223 -0.009 0.000 2.672 161 L HA 0.389 5.147 4.340 0.698 0.000 0.236 161 L C 0.483 177.361 176.870 0.013 0.000 1.186 161 L CA 0.114 54.957 54.840 0.006 0.000 0.977 161 L CB -0.503 41.558 42.059 0.004 0.000 1.203 161 L HN 0.269 nan 8.230 nan 0.000 0.448 162 I N 0.463 121.039 120.570 0.011 0.000 2.618 162 I HA -0.079 4.510 4.170 0.698 0.000 0.284 162 I C 1.052 177.190 176.117 0.035 0.000 1.146 162 I CA 0.571 61.885 61.300 0.023 0.000 1.425 162 I CB 0.995 39.009 38.000 0.023 0.000 1.383 162 I HN 0.351 nan 8.210 nan 0.000 0.562 163 Q N 2.779 122.607 119.800 0.047 0.000 2.353 163 Q HA 0.119 4.878 4.340 0.698 0.000 0.240 163 Q C 0.433 176.478 176.000 0.074 0.000 0.868 163 Q CA 0.079 55.915 55.803 0.055 0.000 0.944 163 Q CB 0.911 29.683 28.738 0.058 0.000 1.104 163 Q HN 0.699 nan 8.270 nan 0.000 0.531 164 S N -0.985 114.765 115.700 0.084 0.000 2.537 164 S HA 0.337 5.226 4.470 0.698 0.000 0.301 164 S C -0.419 174.272 174.600 0.151 0.000 1.092 164 S CA -0.744 57.521 58.200 0.109 0.000 1.048 164 S CB 0.737 63.989 63.200 0.088 0.000 1.053 164 S HN 0.374 nan 8.310 nan 0.000 0.501 165 F N 2.927 122.855 119.950 -0.036 0.000 2.727 165 F HA 0.413 5.358 4.527 0.698 0.000 0.302 165 F C 1.076 176.812 175.800 -0.107 0.000 1.097 165 F CA -0.495 57.465 58.000 -0.066 0.000 1.330 165 F CB 0.124 39.088 39.000 -0.061 0.000 1.084 165 F HN 0.509 nan 8.300 nan 0.000 0.578 166 K N 3.201 123.512 120.400 -0.149 0.000 2.319 166 K HA 0.062 4.801 4.320 0.698 0.000 0.277 166 K C -0.349 176.020 176.600 -0.385 0.000 1.111 166 K CA -0.147 55.980 56.287 -0.267 0.000 1.093 166 K CB -0.067 32.370 32.500 -0.105 0.000 0.910 166 K HN 0.328 nan 8.250 nan 0.000 0.452 167 L N 7.094 127.947 121.223 -0.617 0.000 2.490 167 L HA 0.109 4.868 4.340 0.698 0.000 0.274 167 L C -1.854 174.634 176.870 -0.637 0.000 1.201 167 L CA -1.842 52.507 54.840 -0.819 0.000 0.869 167 L CB 0.296 41.712 42.059 -1.070 0.000 1.123 167 L HN 0.539 nan 8.230 nan 0.000 0.484 168 P HA 0.005 nan 4.420 nan 0.000 0.271 168 P C 0.251 177.314 177.300 -0.395 0.000 1.233 168 P CA -0.305 62.497 63.100 -0.497 0.000 0.789 168 P CB 0.588 31.823 31.700 -0.775 0.000 0.951 169 E N 0.646 120.730 120.200 -0.193 0.000 2.150 169 E HA -0.160 4.609 4.350 0.698 0.000 0.193 169 E C 1.750 178.373 176.600 0.038 0.000 0.985 169 E CA 1.393 57.761 56.400 -0.052 0.000 0.814 169 E CB -0.789 28.923 29.700 0.019 0.000 0.752 169 E HN 0.615 nan 8.360 nan 0.000 0.466 170 Y N -1.324 119.076 120.300 0.167 0.000 2.651 170 Y HA -0.086 4.883 4.550 0.698 0.000 0.293 170 Y C 1.720 177.725 175.900 0.176 0.000 1.151 170 Y CA 0.137 58.330 58.100 0.155 0.000 1.362 170 Y CB -1.090 37.454 38.460 0.141 0.000 0.973 170 Y HN -0.160 nan 8.280 nan 0.000 0.561 171 F N 0.978 120.842 119.950 -0.144 0.000 2.408 171 F HA -0.161 4.785 4.527 0.697 0.000 0.300 171 F C 2.280 178.088 175.800 0.013 0.000 1.090 171 F CA 0.979 58.947 58.000 -0.052 0.000 1.427 171 F CB -0.502 38.397 39.000 -0.169 0.000 1.070 171 F HN 0.153 nan 8.300 nan 0.000 0.549 172 S N 0.015 115.809 115.700 0.156 0.000 2.338 172 S HA -0.184 4.705 4.470 0.698 0.000 0.218 172 S C 1.780 176.417 174.600 0.062 0.000 1.032 172 S CA 1.325 59.580 58.200 0.092 0.000 0.999 172 S CB -0.439 62.809 63.200 0.081 0.000 0.905 172 S HN 0.368 nan 8.310 nan 0.000 0.439 173 N N 1.486 120.234 118.700 0.079 0.000 2.430 173 N HA -0.013 5.146 4.740 0.698 0.000 0.186 173 N C 0.216 175.725 175.510 -0.002 0.000 1.032 173 N CA 0.513 53.591 53.050 0.047 0.000 0.893 173 N CB -0.485 38.042 38.487 0.068 0.000 0.957 173 N HN 0.392 nan 8.380 nan 0.000 0.442 174 L N 1.114 122.318 121.223 -0.031 0.000 2.423 174 L HA 0.083 4.841 4.340 0.698 0.000 0.249 174 L C 1.491 178.305 176.870 -0.093 0.000 1.276 174 L CA -0.047 54.720 54.840 -0.121 0.000 1.199 174 L CB 0.078 41.962 42.059 -0.291 0.000 1.407 174 L HN -0.030 nan 8.230 nan 0.000 0.410 175 T N -0.560 113.961 114.554 -0.056 0.000 3.100 175 T HA 0.030 4.798 4.350 0.698 0.000 0.253 175 T C 1.117 175.789 174.700 -0.047 0.000 1.118 175 T CA 0.746 62.823 62.100 -0.038 0.000 1.058 175 T CB -0.054 68.802 68.868 -0.020 0.000 0.953 175 T HN 0.431 nan 8.240 nan 0.000 0.515 176 N N 0.682 119.344 118.700 -0.063 0.000 2.204 176 N HA 0.282 5.441 4.740 0.698 0.000 0.219 176 N C -0.666 174.802 175.510 -0.070 0.000 1.151 176 N CA -0.268 52.746 53.050 -0.061 0.000 0.867 176 N CB 0.398 38.852 38.487 -0.056 0.000 1.043 176 N HN 0.284 nan 8.380 nan 0.000 0.516 177 L N 1.251 122.423 121.223 -0.085 0.000 2.410 177 L HA 0.141 4.900 4.340 0.698 0.000 0.273 177 L C 0.841 177.665 176.870 -0.076 0.000 1.144 177 L CA 0.897 55.687 54.840 -0.084 0.000 0.863 177 L CB 0.513 42.495 42.059 -0.129 0.000 1.140 177 L HN 0.214 nan 8.230 nan 0.000 0.463 178 E N 3.321 123.465 120.200 -0.093 0.000 2.474 178 E HA 0.189 4.957 4.350 0.698 0.000 0.215 178 E C -0.467 175.886 176.600 -0.411 0.000 0.867 178 E CA -0.118 56.133 56.400 -0.247 0.000 1.135 178 E CB 0.603 30.110 29.700 -0.322 0.000 1.147 178 E HN 0.568 nan 8.360 nan 0.000 0.534 179 H N 0.685 119.757 119.070 0.005 0.000 2.658 179 H HA 0.424 5.398 4.556 0.698 0.000 0.337 179 H C -1.316 174.040 175.328 0.047 0.000 1.009 179 H CA -0.719 55.344 56.048 0.025 0.000 1.231 179 H CB 2.377 32.141 29.762 0.004 0.000 1.508 179 H HN -0.048 nan 8.280 nan 0.000 0.517 180 L N 3.625 124.957 121.223 0.182 0.000 2.404 180 L HA 0.288 5.047 4.340 0.698 0.000 0.272 180 L C -0.814 176.145 176.870 0.147 0.000 0.980 180 L CA -0.404 54.540 54.840 0.174 0.000 0.836 180 L CB 1.603 43.798 42.059 0.226 0.000 1.238 180 L HN 0.486 nan 8.230 nan 0.000 0.408 181 D N 5.053 125.521 120.400 0.114 0.000 2.454 181 D HA 0.302 5.361 4.640 0.698 0.000 0.225 181 D C 0.097 176.437 176.300 0.066 0.000 1.081 181 D CA -0.008 54.039 54.000 0.077 0.000 0.864 181 D CB 1.051 41.880 40.800 0.048 0.000 1.040 181 D HN 0.645 nan 8.370 nan 0.000 0.517 182 L N 2.487 123.747 121.223 0.062 0.000 2.910 182 L HA 0.109 4.868 4.340 0.698 0.000 0.252 182 L C 0.960 177.835 176.870 0.007 0.000 1.195 182 L CA -0.248 54.620 54.840 0.047 0.000 1.003 182 L CB 0.238 42.343 42.059 0.077 0.000 1.328 182 L HN 0.264 nan 8.230 nan 0.000 0.540 183 S N -1.245 114.455 115.700 -0.000 0.000 2.579 183 S HA 0.140 5.029 4.470 0.698 0.000 0.275 183 S C 0.825 175.405 174.600 -0.032 0.000 1.345 183 S CA -0.161 58.025 58.200 -0.024 0.000 1.031 183 S CB 1.201 64.391 63.200 -0.018 0.000 0.892 183 S HN 0.261 nan 8.310 nan 0.000 0.529 184 S N 1.651 117.317 115.700 -0.057 0.000 3.711 184 S HA -0.146 4.743 4.470 0.698 0.000 0.374 184 S C -0.235 174.363 174.600 -0.004 0.000 0.969 184 S CA 0.971 59.132 58.200 -0.065 0.000 1.198 184 S CB -2.072 61.049 63.200 -0.133 0.000 0.903 184 S HN 0.915 nan 8.310 nan 0.000 0.493 185 N N 0.227 118.922 118.700 -0.008 0.000 3.369 185 N HA 0.562 5.721 4.740 0.698 0.000 0.362 185 N C 0.207 175.719 175.510 0.004 0.000 1.523 185 N CA -0.949 52.108 53.050 0.011 0.000 0.684 185 N CB 0.368 38.861 38.487 0.010 0.000 1.796 185 N HN -0.061 nan 8.380 nan 0.000 0.641 186 K N 0.526 120.933 120.400 0.011 0.000 2.537 186 K HA 0.400 5.138 4.320 0.698 0.000 0.206 186 K C -0.454 176.155 176.600 0.014 0.000 1.041 186 K CA -0.166 56.129 56.287 0.013 0.000 1.090 186 K CB -0.122 32.392 32.500 0.022 0.000 0.833 186 K HN 0.461 nan 8.250 nan 0.000 0.493 187 I N 1.782 122.355 120.570 0.004 0.000 2.683 187 I HA -0.099 4.489 4.170 0.698 0.000 0.286 187 I C 1.205 177.318 176.117 -0.007 0.000 1.175 187 I CA 0.716 62.018 61.300 0.003 0.000 1.429 187 I CB 0.482 38.468 38.000 -0.024 0.000 1.371 187 I HN 0.127 nan 8.210 nan 0.000 0.569 188 Q N 3.720 123.527 119.800 0.011 0.000 2.211 188 Q HA 0.169 4.928 4.340 0.698 0.000 0.242 188 Q C -0.339 175.679 176.000 0.030 0.000 0.825 188 Q CA -0.062 55.757 55.803 0.028 0.000 0.951 188 Q CB 0.994 29.763 28.738 0.052 0.000 1.130 188 Q HN 0.849 nan 8.270 nan 0.000 0.496 189 S N -0.254 115.424 115.700 -0.036 0.000 2.552 189 S HA 0.592 5.481 4.470 0.698 0.000 0.272 189 S C -1.147 173.263 174.600 -0.318 0.000 1.150 189 S CA -0.859 57.252 58.200 -0.148 0.000 0.849 189 S CB 1.216 64.336 63.200 -0.133 0.000 1.113 189 S HN 0.157 nan 8.310 nan 0.000 0.458 190 I N 2.342 122.684 120.570 -0.380 0.000 2.410 190 I HA 0.415 5.003 4.170 0.698 0.000 0.286 190 I C -1.318 174.588 176.117 -0.352 0.000 1.009 190 I CA -0.644 60.514 61.300 -0.236 0.000 1.111 190 I CB 1.207 39.217 38.000 0.017 0.000 1.262 190 I HN 0.685 nan 8.210 nan 0.000 0.443 191 Y N 3.576 123.900 120.300 0.040 0.000 2.419 191 Y HA 0.215 5.184 4.550 0.698 0.000 0.328 191 Y C 1.458 177.336 175.900 -0.036 0.000 1.162 191 Y CA -0.840 57.272 58.100 0.020 0.000 1.174 191 Y CB 1.325 39.825 38.460 0.067 0.000 1.228 191 Y HN 0.615 nan 8.280 nan 0.000 0.473 192 C N -0.068 119.312 119.300 0.133 0.000 2.375 192 C HA -0.277 4.601 4.460 0.698 0.000 0.274 192 C C 2.812 177.811 174.990 0.015 0.000 1.190 192 C CA 2.170 61.207 59.018 0.033 0.000 1.775 192 C CB -1.449 26.320 27.740 0.047 0.000 2.067 192 C HN 1.082 nan 8.230 nan 0.000 0.463 193 T N -0.778 113.802 114.554 0.043 0.000 2.897 193 T HA -0.188 4.581 4.350 0.698 0.000 0.271 193 T C 1.025 175.700 174.700 -0.041 0.000 1.084 193 T CA 2.058 64.163 62.100 0.007 0.000 1.123 193 T CB -0.543 68.330 68.868 0.009 0.000 0.865 193 T HN 0.471 nan 8.240 nan 0.000 0.496 194 D N 1.671 122.041 120.400 -0.050 0.000 2.149 194 D HA -0.004 5.055 4.640 0.698 0.000 0.198 194 D C 1.769 177.864 176.300 -0.340 0.000 0.990 194 D CA 0.880 54.776 54.000 -0.174 0.000 0.839 194 D CB -0.303 40.424 40.800 -0.123 0.000 0.948 194 D HN 0.433 nan 8.370 nan 0.000 0.460 195 L N 0.114 121.158 121.223 -0.298 0.000 2.592 195 L HA 0.183 4.942 4.340 0.698 0.000 0.227 195 L C 2.205 178.952 176.870 -0.205 0.000 1.127 195 L CA -0.123 54.503 54.840 -0.357 0.000 0.884 195 L CB 0.012 41.804 42.059 -0.444 0.000 1.065 195 L HN -0.102 nan 8.230 nan 0.000 0.457 196 R N 0.397 120.870 120.500 -0.045 0.000 2.139 196 R HA -0.168 4.591 4.340 0.698 0.000 0.243 196 R C 1.964 178.285 176.300 0.034 0.000 1.145 196 R CA 1.544 57.712 56.100 0.114 0.000 0.976 196 R CB -0.117 30.199 30.300 0.027 0.000 0.866 196 R HN 0.252 nan 8.270 nan 0.000 0.449 197 V N 1.068 120.929 119.914 -0.089 0.000 2.407 197 V HA -0.251 4.288 4.120 0.698 0.000 0.248 197 V C 2.346 178.409 176.094 -0.052 0.000 1.055 197 V CA 1.618 63.870 62.300 -0.080 0.000 1.049 197 V CB -0.462 31.264 31.823 -0.162 0.000 0.662 197 V HN 0.331 nan 8.190 nan 0.000 0.455 198 L N -0.810 120.340 121.223 -0.123 0.000 2.093 198 L HA -0.142 4.616 4.340 0.698 0.000 0.208 198 L C 2.612 179.433 176.870 -0.082 0.000 1.085 198 L CA 1.311 56.081 54.840 -0.115 0.000 0.755 198 L CB -0.921 41.023 42.059 -0.191 0.000 0.904 198 L HN 0.401 nan 8.230 nan 0.000 0.435 199 H N 0.403 119.451 119.070 -0.038 0.000 2.539 199 H HA -0.136 4.839 4.556 0.698 0.000 0.292 199 H C 1.032 176.354 175.328 -0.010 0.000 1.069 199 H CA 1.005 57.040 56.048 -0.022 0.000 1.244 199 H CB 0.025 29.768 29.762 -0.032 0.000 1.365 199 H HN 0.557 nan 8.280 nan 0.000 0.575 200 Q N -0.210 119.645 119.800 0.092 0.000 2.165 200 Q HA 0.298 5.057 4.340 0.698 0.000 0.245 200 Q C -0.263 175.763 176.000 0.043 0.000 0.841 200 Q CA -0.116 55.723 55.803 0.060 0.000 1.078 200 Q CB 0.911 29.679 28.738 0.049 0.000 1.169 200 Q HN 0.210 nan 8.270 nan 0.000 0.475 201 M N 0.514 120.136 119.600 0.037 0.000 1.956 201 M HA 0.256 5.154 4.480 0.698 0.000 0.256 201 M C -2.309 174.007 176.300 0.026 0.000 0.869 201 M CA -1.624 53.694 55.300 0.030 0.000 0.886 201 M CB 1.517 34.137 32.600 0.034 0.000 1.739 201 M HN -0.092 nan 8.290 nan 0.000 0.381 202 P HA -0.110 nan 4.420 nan 0.000 0.205 202 P C -0.072 177.240 177.300 0.019 0.000 1.164 202 P CA 1.085 64.201 63.100 0.025 0.000 0.938 202 P CB 0.192 31.905 31.700 0.022 0.000 0.777 203 L N 0.274 121.504 121.223 0.012 0.000 2.410 203 L HA 0.189 4.948 4.340 0.698 0.000 0.273 203 L C 0.415 177.287 176.870 0.003 0.000 1.152 203 L CA 0.201 55.043 54.840 0.004 0.000 0.855 203 L CB 0.109 42.166 42.059 -0.004 0.000 1.129 203 L HN 0.122 nan 8.230 nan 0.000 0.463 204 L N 4.551 125.775 121.223 0.001 0.000 2.691 204 L HA 0.130 4.888 4.340 0.698 0.000 0.239 204 L C -0.835 176.035 176.870 -0.000 0.000 1.062 204 L CA -0.267 54.574 54.840 0.002 0.000 1.002 204 L CB 0.776 42.848 42.059 0.021 0.000 1.232 204 L HN 0.605 nan 8.230 nan 0.000 0.542 205 N N 3.244 121.921 118.700 -0.039 0.000 2.892 205 N HA 0.133 5.291 4.740 0.698 0.000 0.300 205 N C -0.527 174.933 175.510 -0.083 0.000 1.211 205 N CA 0.082 53.088 53.050 -0.073 0.000 1.158 205 N CB 0.136 38.520 38.487 -0.172 0.000 1.455 205 N HN 0.396 nan 8.380 nan 0.000 0.524 206 L N 1.676 122.900 121.223 0.002 0.000 2.264 206 L HA 0.384 5.142 4.340 0.698 0.000 0.289 206 L C -0.399 176.497 176.870 0.043 0.000 1.044 206 L CA -0.158 54.687 54.840 0.008 0.000 0.807 206 L CB 0.937 43.039 42.059 0.072 0.000 1.192 206 L HN 0.229 nan 8.230 nan 0.000 0.425 207 S N 6.063 121.747 115.700 -0.027 0.000 2.448 207 S HA 0.454 5.343 4.470 0.698 0.000 0.320 207 S C -0.388 174.272 174.600 0.100 0.000 1.071 207 S CA -0.429 57.802 58.200 0.052 0.000 1.113 207 S CB 1.160 64.370 63.200 0.016 0.000 0.972 207 S HN 0.463 nan 8.310 nan 0.000 0.465 208 L N 3.524 124.812 121.223 0.108 0.000 2.329 208 L HA 0.649 5.408 4.340 0.698 0.000 0.279 208 L C -0.880 176.031 176.870 0.067 0.000 1.014 208 L CA -0.163 54.745 54.840 0.113 0.000 0.814 208 L CB 1.489 43.636 42.059 0.147 0.000 1.257 208 L HN 0.393 nan 8.230 nan 0.000 0.424 209 D N 4.538 124.974 120.400 0.060 0.000 2.481 209 D HA 0.309 5.368 4.640 0.698 0.000 0.246 209 D C -0.172 176.122 176.300 -0.010 0.000 1.109 209 D CA -0.102 53.911 54.000 0.022 0.000 0.845 209 D CB 1.371 42.193 40.800 0.037 0.000 1.160 209 D HN 0.652 nan 8.370 nan 0.000 0.534 210 L N 2.068 123.257 121.223 -0.057 0.000 3.014 210 L HA 0.194 4.952 4.340 0.698 0.000 0.263 210 L C 0.666 177.474 176.870 -0.102 0.000 1.207 210 L CA -0.237 54.538 54.840 -0.109 0.000 1.017 210 L CB 0.473 42.413 42.059 -0.198 0.000 1.360 210 L HN 0.154 nan 8.230 nan 0.000 0.560 211 S N 0.595 116.265 115.700 -0.050 0.000 2.566 211 S HA 0.158 5.046 4.470 0.698 0.000 0.280 211 S C 1.129 175.712 174.600 -0.028 0.000 1.343 211 S CA -0.187 58.007 58.200 -0.011 0.000 1.036 211 S CB 0.612 63.891 63.200 0.132 0.000 0.866 211 S HN 0.370 nan 8.310 nan 0.000 0.526 212 L N -0.113 121.096 121.223 -0.023 0.000 4.001 212 L HA -0.222 4.536 4.340 0.698 0.000 0.413 212 L C -0.093 176.729 176.870 -0.080 0.000 1.185 212 L CA 0.113 54.919 54.840 -0.056 0.000 0.963 212 L CB -1.565 40.436 42.059 -0.097 0.000 1.976 212 L HN 0.617 nan 8.230 nan 0.000 0.939 213 N N 1.575 120.212 118.700 -0.106 0.000 2.421 213 N HA 0.303 5.462 4.740 0.698 0.000 0.285 213 N C -2.000 173.447 175.510 -0.105 0.000 1.027 213 N CA -1.267 51.727 53.050 -0.093 0.000 0.918 213 N CB 1.577 40.000 38.487 -0.106 0.000 1.152 213 N HN -0.055 nan 8.380 nan 0.000 0.485 214 P HA 0.022 nan 4.420 nan 0.000 0.235 214 P C -0.080 177.214 177.300 -0.010 0.000 1.720 214 P CA -0.145 62.935 63.100 -0.033 0.000 1.003 214 P CB -0.174 31.523 31.700 -0.005 0.000 1.968 215 M N 3.138 122.713 119.600 -0.042 0.000 2.243 215 M HA 0.063 4.962 4.480 0.698 0.000 0.341 215 M C 0.829 177.225 176.300 0.161 0.000 1.130 215 M CA 0.981 56.303 55.300 0.038 0.000 1.162 215 M CB 0.284 32.891 32.600 0.012 0.000 1.497 215 M HN 0.072 nan 8.290 nan 0.000 0.456 216 N N 1.697 120.509 118.700 0.188 0.000 1.899 216 N HA 0.161 5.319 4.740 0.698 0.000 0.223 216 N C -1.145 174.531 175.510 0.277 0.000 1.411 216 N CA -0.462 52.718 53.050 0.217 0.000 0.737 216 N CB 0.302 38.882 38.487 0.156 0.000 1.100 216 N HN 0.398 nan 8.380 nan 0.000 0.527 217 F N 1.040 121.019 119.950 0.048 0.000 2.683 217 F HA 0.521 5.467 4.527 0.698 0.000 0.333 217 F C -2.210 173.583 175.800 -0.011 0.000 1.160 217 F CA -1.040 56.970 58.000 0.017 0.000 1.099 217 F CB 1.113 40.120 39.000 0.013 0.000 1.344 217 F HN -0.052 nan 8.300 nan 0.000 0.534 218 I N 5.976 126.126 120.570 -0.701 0.000 2.420 218 I HA 0.242 4.831 4.170 0.698 0.000 0.282 218 I C -0.244 175.339 176.117 -0.890 0.000 1.019 218 I CA -0.682 60.263 61.300 -0.591 0.000 1.130 218 I CB 1.669 39.581 38.000 -0.148 0.000 1.262 218 I HN 0.559 nan 8.210 nan 0.000 0.454 219 Q N 7.537 126.724 119.800 -1.022 0.000 2.264 219 Q HA 0.080 4.839 4.340 0.698 0.000 0.296 219 Q C -2.163 173.749 176.000 -0.146 0.000 1.103 219 Q CA -1.237 54.254 55.803 -0.520 0.000 0.967 219 Q CB 0.554 29.289 28.738 -0.005 0.000 1.090 219 Q HN 0.273 nan 8.270 nan 0.000 0.379 220 P HA -0.121 nan 4.420 nan 0.000 0.264 220 P C 0.309 177.639 177.300 0.050 0.000 1.173 220 P CA 1.455 64.573 63.100 0.030 0.000 0.761 220 P CB 0.324 32.065 31.700 0.068 0.000 0.794 221 G N 2.193 111.031 108.800 0.065 0.000 2.175 221 G HA2 -0.347 4.032 3.960 0.698 0.000 0.265 221 G HA3 -0.347 4.032 3.960 0.698 0.000 0.265 221 G C 1.147 176.088 174.900 0.068 0.000 0.979 221 G CA 0.508 45.651 45.100 0.072 0.000 0.663 221 G HN 0.711 nan 8.290 nan 0.000 0.533 222 A N -0.831 122.018 122.820 0.048 0.000 2.015 222 A HA 0.445 5.183 4.320 0.698 0.000 0.219 222 A C 1.715 179.171 177.584 -0.212 0.000 1.163 222 A CA 1.778 53.773 52.037 -0.069 0.000 0.646 222 A CB -0.245 18.677 19.000 -0.129 0.000 0.806 222 A HN 0.682 nan 8.150 nan 0.000 0.448 223 F N -0.049 119.922 119.950 0.035 0.000 2.664 223 F HA 0.233 5.179 4.527 0.698 0.000 0.303 223 F C 0.724 176.548 175.800 0.040 0.000 1.092 223 F CA -0.196 57.821 58.000 0.028 0.000 1.305 223 F CB 0.224 39.234 39.000 0.018 0.000 1.054 223 F HN -0.073 nan 8.300 nan 0.000 0.565 224 K N 1.779 122.282 120.400 0.172 0.000 2.491 224 K HA -0.090 4.648 4.320 0.698 0.000 0.279 224 K C 0.521 177.219 176.600 0.164 0.000 1.026 224 K CA 0.708 57.084 56.287 0.148 0.000 1.070 224 K CB -0.046 32.523 32.500 0.117 0.000 0.887 224 K HN 0.304 nan 8.250 nan 0.000 0.481 225 E N 0.934 121.213 120.200 0.132 0.000 2.476 225 E HA -0.249 4.519 4.350 0.698 0.000 0.251 225 E C -0.462 176.187 176.600 0.081 0.000 1.130 225 E CA 0.324 56.795 56.400 0.119 0.000 0.736 225 E CB -0.694 29.093 29.700 0.144 0.000 1.298 225 E HN 0.371 nan 8.360 nan 0.000 0.400 226 I N 0.501 121.117 120.570 0.076 0.000 2.562 226 I HA 0.439 5.028 4.170 0.698 0.000 0.301 226 I C 0.451 176.624 176.117 0.094 0.000 1.003 226 I CA -0.408 60.914 61.300 0.036 0.000 1.127 226 I CB 1.698 39.753 38.000 0.091 0.000 1.304 226 I HN 0.040 nan 8.210 nan 0.000 0.446 227 R N 5.045 125.589 120.500 0.075 0.000 2.502 227 R HA 0.589 5.348 4.340 0.698 0.000 0.298 227 R C -1.931 174.426 176.300 0.094 0.000 1.018 227 R CA -0.585 55.565 56.100 0.084 0.000 0.899 227 R CB 1.253 31.593 30.300 0.067 0.000 1.181 227 R HN 0.341 nan 8.270 nan 0.000 0.444 228 L N 3.317 124.602 121.223 0.104 0.000 2.330 228 L HA 0.336 5.095 4.340 0.698 0.000 0.271 228 L C 1.302 178.243 176.870 0.118 0.000 1.013 228 L CA -0.460 54.447 54.840 0.112 0.000 0.816 228 L CB 1.377 43.501 42.059 0.107 0.000 1.287 228 L HN 0.709 nan 8.230 nan 0.000 0.435 229 H N 1.141 120.238 119.070 0.044 0.000 2.399 229 H HA 0.174 5.148 4.556 0.697 0.000 0.300 229 H C -0.003 175.381 175.328 0.093 0.000 1.048 229 H CA 0.741 56.826 56.048 0.061 0.000 1.370 229 H CB 0.907 30.668 29.762 -0.002 0.000 1.428 229 H HN 0.496 nan 8.280 nan 0.000 0.534 230 K N 0.536 120.977 120.400 0.069 0.000 2.502 230 K HA 0.386 5.125 4.320 0.698 0.000 0.257 230 K C -1.961 174.654 176.600 0.024 0.000 0.938 230 K CA -0.710 55.584 56.287 0.010 0.000 0.819 230 K CB 2.314 34.859 32.500 0.076 0.000 1.333 230 K HN 0.132 nan 8.250 nan 0.000 0.434 231 L N 2.551 123.763 121.223 -0.018 0.000 2.470 231 L HA 0.490 5.249 4.340 0.698 0.000 0.268 231 L C -1.495 175.347 176.870 -0.047 0.000 0.964 231 L CA -0.380 54.446 54.840 -0.024 0.000 0.839 231 L CB 2.508 44.536 42.059 -0.051 0.000 1.276 231 L HN 0.703 nan 8.230 nan 0.000 0.403 232 T N 5.819 120.347 114.554 -0.042 0.000 2.809 232 T HA 0.520 5.289 4.350 0.698 0.000 0.284 232 T C -0.295 174.367 174.700 -0.063 0.000 0.992 232 T CA -0.272 61.792 62.100 -0.061 0.000 0.957 232 T CB 1.216 70.056 68.868 -0.047 0.000 0.942 232 T HN 0.390 nan 8.240 nan 0.000 0.439 233 L N 4.144 125.328 121.223 -0.066 0.000 2.495 233 L HA 0.449 5.208 4.340 0.698 0.000 0.248 233 L C 0.149 176.958 176.870 -0.101 0.000 1.229 233 L CA -0.487 54.303 54.840 -0.083 0.000 0.942 233 L CB 0.595 42.655 42.059 0.001 0.000 1.242 233 L HN 0.327 nan 8.230 nan 0.000 0.484 234 R N 1.478 121.912 120.500 -0.110 0.000 2.393 234 R HA 0.324 5.083 4.340 0.698 0.000 0.310 234 R C 0.141 176.408 176.300 -0.056 0.000 0.968 234 R CA -0.620 55.401 56.100 -0.132 0.000 0.867 234 R CB 1.230 31.361 30.300 -0.283 0.000 1.124 234 R HN 0.448 nan 8.270 nan 0.000 0.450 235 N N 1.509 120.174 118.700 -0.058 0.000 2.740 235 N HA -0.212 4.947 4.740 0.698 0.000 0.248 235 N C 0.026 175.449 175.510 -0.146 0.000 1.062 235 N CA -0.085 52.964 53.050 -0.001 0.000 0.704 235 N CB -0.270 38.335 38.487 0.196 0.000 0.968 235 N HN 0.633 nan 8.380 nan 0.000 0.547 236 N N -0.556 117.885 118.700 -0.431 0.000 2.439 236 N HA 0.086 5.245 4.740 0.698 0.000 0.176 236 N C -0.103 174.997 175.510 -0.682 0.000 1.029 236 N CA 0.847 53.474 53.050 -0.706 0.000 0.886 236 N CB 0.262 38.026 38.487 -1.206 0.000 1.057 236 N HN 0.178 nan 8.380 nan 0.000 0.437 237 F N 0.772 120.742 119.950 0.034 0.000 2.421 237 F HA 0.232 5.177 4.527 0.697 0.000 0.337 237 F C 1.543 177.366 175.800 0.040 0.000 1.105 237 F CA -1.067 56.952 58.000 0.031 0.000 1.049 237 F CB 1.261 40.275 39.000 0.023 0.000 1.139 237 F HN -0.193 nan 8.300 nan 0.000 0.479 238 D N 1.027 121.545 120.400 0.197 0.000 2.077 238 D HA -0.096 4.963 4.640 0.698 0.000 0.196 238 D C 0.917 177.287 176.300 0.116 0.000 0.986 238 D CA 1.482 55.555 54.000 0.123 0.000 0.829 238 D CB 0.186 41.043 40.800 0.095 0.000 0.983 238 D HN 0.483 nan 8.370 nan 0.000 0.453 239 S N -1.180 114.585 115.700 0.108 0.000 2.766 239 S HA 0.277 5.165 4.470 0.698 0.000 0.307 239 S C 1.104 175.732 174.600 0.047 0.000 1.121 239 S CA -0.883 57.355 58.200 0.064 0.000 0.980 239 S CB 0.993 64.214 63.200 0.034 0.000 1.159 239 S HN 0.212 nan 8.310 nan 0.000 0.546 240 L N 0.645 121.861 121.223 -0.013 0.000 2.156 240 L HA -0.041 4.717 4.340 0.698 0.000 0.208 240 L C 1.929 178.733 176.870 -0.110 0.000 1.095 240 L CA 1.005 55.795 54.840 -0.083 0.000 0.770 240 L CB -0.572 41.400 42.059 -0.145 0.000 0.914 240 L HN 0.692 nan 8.230 nan 0.000 0.439 241 N N -0.600 118.056 118.700 -0.072 0.000 2.216 241 N HA -0.135 5.024 4.740 0.698 0.000 0.183 241 N C 1.743 177.212 175.510 -0.069 0.000 1.017 241 N CA 1.281 54.288 53.050 -0.072 0.000 0.861 241 N CB -0.030 38.432 38.487 -0.041 0.000 0.986 241 N HN 0.218 nan 8.380 nan 0.000 0.428 242 V N 1.991 121.887 119.914 -0.029 0.000 2.427 242 V HA -0.155 4.383 4.120 0.698 0.000 0.248 242 V C 2.453 178.447 176.094 -0.166 0.000 1.051 242 V CA 1.127 63.425 62.300 -0.003 0.000 1.048 242 V CB -0.409 31.479 31.823 0.107 0.000 0.666 242 V HN 0.277 nan 8.190 nan 0.000 0.456 243 M N -0.088 119.358 119.600 -0.257 0.000 2.099 243 M HA -0.201 4.697 4.480 0.698 0.000 0.262 243 M C 2.283 178.212 176.300 -0.618 0.000 1.067 243 M CA 1.923 56.762 55.300 -0.768 0.000 1.124 243 M CB -0.203 32.175 32.600 -0.369 0.000 1.353 243 M HN 0.146 nan 8.290 nan 0.000 0.410 244 K N -0.636 119.560 120.400 -0.340 0.000 2.103 244 K HA -0.121 4.617 4.320 0.698 0.000 0.207 244 K C 1.789 178.261 176.600 -0.213 0.000 1.048 244 K CA 1.911 58.044 56.287 -0.257 0.000 0.930 244 K CB -0.337 32.048 32.500 -0.192 0.000 0.716 244 K HN 0.426 nan 8.250 nan 0.000 0.444 245 T N 0.712 115.158 114.554 -0.180 0.000 2.737 245 T HA -0.158 4.611 4.350 0.698 0.000 0.265 245 T C 2.129 176.752 174.700 -0.128 0.000 1.038 245 T CA 1.246 63.288 62.100 -0.096 0.000 1.144 245 T CB -0.366 68.495 68.868 -0.012 0.000 0.866 245 T HN 0.312 nan 8.240 nan 0.000 0.434 246 C N 0.970 120.132 119.300 -0.231 0.000 2.432 246 C HA 0.053 4.931 4.460 0.698 0.000 0.277 246 C C 2.621 177.477 174.990 -0.223 0.000 1.249 246 C CA 0.117 59.002 59.018 -0.223 0.000 1.725 246 C CB -1.249 26.327 27.740 -0.273 0.000 2.028 246 C HN 0.543 nan 8.230 nan 0.000 0.477 247 I N 0.665 121.049 120.570 -0.309 0.000 2.657 247 I HA -0.264 4.325 4.170 0.698 0.000 0.261 247 I C 2.573 178.608 176.117 -0.137 0.000 1.212 247 I CA 1.369 62.541 61.300 -0.213 0.000 1.453 247 I CB -0.486 37.382 38.000 -0.219 0.000 1.092 247 I HN 0.553 nan 8.210 nan 0.000 0.452 248 Q N 0.034 119.763 119.800 -0.119 0.000 2.187 248 Q HA -0.058 4.701 4.340 0.698 0.000 0.199 248 Q C 2.330 178.309 176.000 -0.035 0.000 0.957 248 Q CA 1.256 57.020 55.803 -0.065 0.000 0.857 248 Q CB -0.204 28.505 28.738 -0.049 0.000 0.929 248 Q HN 0.596 nan 8.270 nan 0.000 0.453 249 G N 0.381 109.153 108.800 -0.047 0.000 2.534 249 G HA2 -0.157 4.221 3.960 0.698 0.000 0.217 249 G HA3 -0.157 4.221 3.960 0.698 0.000 0.217 249 G C 1.224 176.189 174.900 0.109 0.000 1.128 249 G CA 0.157 45.258 45.100 0.001 0.000 0.784 249 G HN 0.142 nan 8.290 nan 0.000 0.542 250 L N 1.102 122.313 121.223 -0.020 0.000 2.395 250 L HA 0.398 5.156 4.340 0.698 0.000 0.218 250 L C 2.079 178.927 176.870 -0.036 0.000 1.130 250 L CA -0.096 54.648 54.840 -0.161 0.000 0.826 250 L CB -0.597 41.298 42.059 -0.274 0.000 0.941 250 L HN 0.190 nan 8.230 nan 0.000 0.451 251 A N -0.511 122.315 122.820 0.010 0.000 2.598 251 A HA 0.337 5.076 4.320 0.698 0.000 0.239 251 A C 1.567 179.197 177.584 0.077 0.000 1.032 251 A CA 0.863 52.917 52.037 0.028 0.000 0.760 251 A CB -0.735 18.280 19.000 0.024 0.000 0.946 251 A HN 0.831 nan 8.150 nan 0.000 0.512 252 G N 0.798 109.635 108.800 0.060 0.000 2.194 252 G HA2 -0.106 4.273 3.960 0.698 0.000 0.236 252 G HA3 -0.106 4.273 3.960 0.698 0.000 0.236 252 G C 0.182 175.140 174.900 0.097 0.000 0.987 252 G CA 0.263 45.412 45.100 0.082 0.000 0.635 252 G HN 1.770 nan 8.290 nan 0.000 0.520 253 L N 1.270 122.546 121.223 0.088 0.000 2.467 253 L HA 0.720 5.478 4.340 0.698 0.000 0.270 253 L C 0.320 177.220 176.870 0.051 0.000 1.205 253 L CA 0.090 54.979 54.840 0.082 0.000 0.828 253 L CB 0.983 43.023 42.059 -0.032 0.000 1.101 253 L HN 0.241 nan 8.230 nan 0.000 0.479 254 E N 3.433 123.671 120.200 0.062 0.000 2.235 254 E HA 0.512 5.281 4.350 0.698 0.000 0.252 254 E C -1.701 174.928 176.600 0.048 0.000 0.886 254 E CA -0.699 55.733 56.400 0.052 0.000 0.767 254 E CB 1.266 31.003 29.700 0.062 0.000 1.205 254 E HN 0.557 nan 8.360 nan 0.000 0.421 255 V N 1.696 121.626 119.914 0.026 0.000 2.680 255 V HA 0.322 4.861 4.120 0.698 0.000 0.309 255 V C 0.704 176.800 176.094 0.003 0.000 1.052 255 V CA -0.716 61.591 62.300 0.011 0.000 0.908 255 V CB 1.530 33.340 31.823 -0.022 0.000 1.001 255 V HN 0.778 nan 8.190 nan 0.000 0.431 256 H N 3.468 122.453 119.070 -0.141 0.000 2.343 256 H HA 0.239 5.214 4.556 0.697 0.000 0.303 256 H C 1.083 176.303 175.328 -0.180 0.000 1.068 256 H CA 1.906 57.835 56.048 -0.198 0.000 1.359 256 H CB 0.357 29.860 29.762 -0.432 0.000 1.402 256 H HN 0.728 nan 8.280 nan 0.000 0.515 257 R N 0.473 120.776 120.500 -0.328 0.000 2.532 257 R HA 0.390 5.149 4.340 0.698 0.000 0.297 257 R C -1.954 174.247 176.300 -0.166 0.000 0.984 257 R CA -1.041 54.876 56.100 -0.305 0.000 0.884 257 R CB 1.056 31.183 30.300 -0.288 0.000 1.182 257 R HN 0.250 nan 8.270 nan 0.000 0.442 258 L N 5.109 126.256 121.223 -0.128 0.000 2.333 258 L HA 0.511 5.270 4.340 0.698 0.000 0.280 258 L C -1.623 175.127 176.870 -0.199 0.000 1.004 258 L CA -0.509 54.286 54.840 -0.076 0.000 0.820 258 L CB 2.090 44.184 42.059 0.059 0.000 1.247 258 L HN 0.362 nan 8.230 nan 0.000 0.416 259 V N 6.566 126.360 119.914 -0.199 0.000 2.378 259 V HA 0.507 5.045 4.120 0.698 0.000 0.288 259 V C 0.185 176.155 176.094 -0.207 0.000 1.016 259 V CA -0.463 61.654 62.300 -0.305 0.000 0.840 259 V CB 1.184 32.853 31.823 -0.256 0.000 0.994 259 V HN 0.719 nan 8.190 nan 0.000 0.431 260 L N 3.453 124.534 121.223 -0.237 0.000 2.341 260 L HA 1.062 5.820 4.340 0.698 0.000 0.267 260 L C 0.815 177.608 176.870 -0.130 0.000 1.022 260 L CA -0.364 54.440 54.840 -0.059 0.000 0.844 260 L CB 1.887 44.038 42.059 0.154 0.000 1.436 260 L HN 0.869 nan 8.230 nan 0.000 0.483 261 G N 0.203 108.978 108.800 -0.041 0.000 2.362 261 G HA2 0.034 4.412 3.960 0.698 0.000 0.517 261 G HA3 0.034 4.412 3.960 0.698 0.000 0.517 261 G C -1.521 173.311 174.900 -0.114 0.000 1.256 261 G CA -0.286 44.747 45.100 -0.112 0.000 1.027 261 G HN 0.784 nan 8.290 nan 0.000 0.491 262 E N -1.554 118.578 120.200 -0.112 0.000 2.446 262 E HA 0.769 5.538 4.350 0.698 0.000 0.267 262 E C -1.456 175.022 176.600 -0.202 0.000 0.955 262 E CA -1.139 55.216 56.400 -0.076 0.000 0.842 262 E CB 1.654 31.423 29.700 0.115 0.000 1.504 262 E HN 0.371 nan 8.360 nan 0.000 0.438 263 F N 0.502 120.490 119.950 0.063 0.000 2.443 263 F HA 0.406 5.352 4.527 0.698 0.000 0.335 263 F C 1.693 177.361 175.800 -0.221 0.000 1.104 263 F CA -0.773 57.163 58.000 -0.108 0.000 1.013 263 F CB 1.751 40.684 39.000 -0.111 0.000 1.136 263 F HN 0.460 nan 8.300 nan 0.000 0.470 264 R N 1.687 121.886 120.500 -0.502 0.000 2.127 264 R HA -0.163 4.596 4.340 0.698 0.000 0.238 264 R C 1.168 177.383 176.300 -0.142 0.000 1.134 264 R CA 1.720 57.437 56.100 -0.638 0.000 0.975 264 R CB -0.123 29.700 30.300 -0.795 0.000 0.865 264 R HN 0.727 nan 8.270 nan 0.000 0.447 265 N N -0.078 118.583 118.700 -0.066 0.000 2.320 265 N HA 0.033 5.192 4.740 0.698 0.000 0.237 265 N C -0.767 174.742 175.510 -0.003 0.000 1.129 265 N CA 0.012 53.044 53.050 -0.031 0.000 0.854 265 N CB 0.681 39.133 38.487 -0.058 0.000 1.083 265 N HN 0.185 nan 8.380 nan 0.000 0.504 266 E N -1.163 119.067 120.200 0.049 0.000 2.446 266 E HA 0.607 5.376 4.350 0.698 0.000 0.269 266 E C -0.617 176.036 176.600 0.088 0.000 0.977 266 E CA -1.013 55.421 56.400 0.056 0.000 0.854 266 E CB 1.164 30.903 29.700 0.065 0.000 1.545 266 E HN 0.199 nan 8.360 nan 0.000 0.448 267 G N 0.888 109.733 108.800 0.074 0.000 2.298 267 G HA2 0.133 4.511 3.960 0.698 0.000 0.263 267 G HA3 0.133 4.511 3.960 0.698 0.000 0.263 267 G C -0.580 174.386 174.900 0.111 0.000 1.229 267 G CA 0.107 45.257 45.100 0.082 0.000 0.976 267 G HN 0.377 nan 8.290 nan 0.000 0.459 268 N N 0.965 119.741 118.700 0.126 0.000 2.477 268 N HA 0.454 5.612 4.740 0.698 0.000 0.284 268 N C -0.154 175.435 175.510 0.132 0.000 1.182 268 N CA -0.961 52.177 53.050 0.146 0.000 0.949 268 N CB 1.718 40.312 38.487 0.179 0.000 1.204 268 N HN 0.301 nan 8.380 nan 0.000 0.526 269 L N 1.231 122.540 121.223 0.144 0.000 2.426 269 L HA 0.078 4.836 4.340 0.698 0.000 0.271 269 L C 1.735 178.680 176.870 0.125 0.000 1.169 269 L CA 0.061 54.983 54.840 0.136 0.000 0.836 269 L CB 0.557 42.724 42.059 0.180 0.000 1.112 269 L HN 0.804 nan 8.230 nan 0.000 0.465 270 E N 2.526 122.780 120.200 0.090 0.000 2.435 270 E HA -0.005 4.764 4.350 0.698 0.000 0.195 270 E C -0.102 176.546 176.600 0.080 0.000 1.029 270 E CA 0.233 56.698 56.400 0.107 0.000 0.865 270 E CB 0.337 30.085 29.700 0.081 0.000 0.833 270 E HN 0.522 nan 8.360 nan 0.000 0.510 271 K N -0.018 120.320 120.400 -0.103 0.000 2.532 271 K HA 0.330 5.068 4.320 0.698 0.000 0.265 271 K C -1.830 174.425 176.600 -0.574 0.000 0.948 271 K CA -0.919 55.061 56.287 -0.512 0.000 0.842 271 K CB 1.321 33.659 32.500 -0.270 0.000 1.392 271 K HN 0.051 nan 8.250 nan 0.000 0.436 272 F N 2.521 121.688 119.950 -1.306 0.000 2.946 272 F HA 0.136 5.082 4.527 0.699 0.000 0.375 272 F C -1.076 174.484 175.800 -0.400 0.000 1.320 272 F CA -0.573 57.059 58.000 -0.613 0.000 1.181 272 F CB 0.531 39.327 39.000 -0.341 0.000 2.051 272 F HN 0.725 nan 8.300 nan 0.000 0.622 273 D N 0.807 121.017 120.400 -0.316 0.000 2.433 273 D HA 0.135 5.193 4.640 0.698 0.000 0.255 273 D C 1.089 177.289 176.300 -0.168 0.000 1.226 273 D CA -0.548 53.373 54.000 -0.131 0.000 1.015 273 D CB 0.579 41.314 40.800 -0.109 0.000 1.091 273 D HN 0.435 nan 8.370 nan 0.000 0.527 274 K N -0.885 119.450 120.400 -0.109 0.000 2.589 274 K HA -0.167 4.572 4.320 0.698 0.000 0.195 274 K C 0.860 177.360 176.600 -0.166 0.000 1.042 274 K CA 1.422 57.627 56.287 -0.136 0.000 0.940 274 K CB -0.461 31.974 32.500 -0.107 0.000 0.776 274 K HN 0.357 nan 8.250 nan 0.000 0.487 275 S N -1.002 114.580 115.700 -0.197 0.000 2.526 275 S HA 0.301 5.190 4.470 0.698 0.000 0.220 275 S C 2.089 176.535 174.600 -0.257 0.000 1.017 275 S CA -0.048 58.038 58.200 -0.191 0.000 0.930 275 S CB 0.505 63.611 63.200 -0.156 0.000 0.856 275 S HN 0.340 nan 8.310 nan 0.000 0.497 276 A N 1.762 124.342 122.820 -0.401 0.000 1.958 276 A HA 0.003 4.742 4.320 0.698 0.000 0.221 276 A C 1.724 179.083 177.584 -0.375 0.000 1.178 276 A CA 1.554 53.254 52.037 -0.561 0.000 0.642 276 A CB -0.601 17.628 19.000 -1.284 0.000 0.816 276 A HN 0.505 nan 8.150 nan 0.000 0.453 277 L N -0.540 120.530 121.223 -0.256 0.000 2.700 277 L HA 0.204 4.963 4.340 0.698 0.000 0.234 277 L C 1.546 178.354 176.870 -0.104 0.000 1.156 277 L CA 0.388 55.156 54.840 -0.120 0.000 0.946 277 L CB -0.404 41.652 42.059 -0.005 0.000 1.216 277 L HN 0.420 nan 8.230 nan 0.000 0.493 278 E N 0.175 120.301 120.200 -0.123 0.000 2.065 278 E HA -0.253 4.516 4.350 0.698 0.000 0.201 278 E C 2.155 178.708 176.600 -0.078 0.000 1.016 278 E CA 1.477 57.821 56.400 -0.095 0.000 0.818 278 E CB -0.285 29.356 29.700 -0.098 0.000 0.749 278 E HN 0.568 nan 8.360 nan 0.000 0.453 279 G N 1.005 109.751 108.800 -0.089 0.000 2.507 279 G HA2 -0.267 4.111 3.960 0.698 0.000 0.221 279 G HA3 -0.267 4.111 3.960 0.698 0.000 0.221 279 G C 1.354 176.218 174.900 -0.061 0.000 1.119 279 G CA 0.656 45.711 45.100 -0.076 0.000 0.751 279 G HN 0.079 nan 8.290 nan 0.000 0.574 280 L N 0.292 121.477 121.223 -0.063 0.000 2.447 280 L HA -0.010 4.749 4.340 0.698 0.000 0.225 280 L C 2.716 179.563 176.870 -0.038 0.000 1.148 280 L CA 0.323 55.130 54.840 -0.055 0.000 0.808 280 L CB -0.893 41.115 42.059 -0.084 0.000 0.928 280 L HN 0.270 nan 8.230 nan 0.000 0.448 281 c N -0.716 117.864 118.600 -0.033 0.000 2.448 281 c HA -0.079 4.910 4.570 0.698 0.000 0.280 281 c C 1.903 175.988 174.090 -0.007 0.000 1.398 281 c CA 0.508 56.828 56.329 -0.016 0.000 1.774 281 c CB -1.199 41.300 42.510 -0.018 0.000 1.888 281 c HN 0.570 nan 8.230 nan 0.000 0.519 282 N N 0.228 118.921 118.700 -0.013 0.000 2.376 282 N HA 0.221 5.380 4.740 0.698 0.000 0.249 282 N C -0.645 174.866 175.510 0.001 0.000 1.140 282 N CA -0.064 52.984 53.050 -0.002 0.000 0.870 282 N CB 0.295 38.780 38.487 -0.004 0.000 1.124 282 N HN 0.329 nan 8.380 nan 0.000 0.505 283 L N -0.102 121.120 121.223 -0.001 0.000 2.327 283 L HA 0.461 5.220 4.340 0.698 0.000 0.258 283 L C -0.084 176.793 176.870 0.013 0.000 1.024 283 L CA -0.436 54.405 54.840 0.001 0.000 0.825 283 L CB 2.169 44.217 42.059 -0.018 0.000 1.386 283 L HN -0.145 nan 8.230 nan 0.000 0.417 284 T N 2.683 117.249 114.554 0.020 0.000 2.893 284 T HA 0.607 5.375 4.350 0.698 0.000 0.324 284 T C -0.080 174.636 174.700 0.027 0.000 1.082 284 T CA -0.137 61.981 62.100 0.030 0.000 0.983 284 T CB 0.432 69.324 68.868 0.040 0.000 1.005 284 T HN 0.226 nan 8.240 nan 0.000 0.475 285 I N 2.384 122.969 120.570 0.025 0.000 2.441 285 I HA 0.419 5.008 4.170 0.698 0.000 0.295 285 I C 1.178 177.302 176.117 0.011 0.000 0.994 285 I CA -0.683 60.626 61.300 0.015 0.000 1.144 285 I CB 2.285 40.304 38.000 0.032 0.000 1.314 285 I HN 0.414 nan 8.210 nan 0.000 0.445 286 E N 3.533 123.705 120.200 -0.047 0.000 2.206 286 E HA 0.130 4.899 4.350 0.698 0.000 0.195 286 E C -0.384 176.141 176.600 -0.124 0.000 0.935 286 E CA 0.973 57.333 56.400 -0.067 0.000 0.875 286 E CB 0.561 30.215 29.700 -0.075 0.000 0.841 286 E HN 0.597 nan 8.360 nan 0.000 0.477 287 E N -0.478 119.583 120.200 -0.231 0.000 2.256 287 E HA 0.345 5.114 4.350 0.698 0.000 0.268 287 E C -1.403 175.121 176.600 -0.127 0.000 0.877 287 E CA -0.765 55.512 56.400 -0.205 0.000 0.757 287 E CB 2.063 31.564 29.700 -0.330 0.000 1.183 287 E HN 0.039 nan 8.360 nan 0.000 0.418 288 F N 2.355 122.129 119.950 -0.293 0.000 2.546 288 F HA 0.605 5.550 4.527 0.697 0.000 0.320 288 F C -0.890 174.599 175.800 -0.518 0.000 1.076 288 F CA -0.795 57.007 58.000 -0.331 0.000 0.928 288 F CB 1.612 40.467 39.000 -0.243 0.000 1.189 288 F HN 0.356 nan 8.300 nan 0.000 0.465 289 R N 6.078 125.637 120.500 -1.569 0.000 2.515 289 R HA 0.519 5.278 4.340 0.698 0.000 0.278 289 R C -2.498 172.999 176.300 -1.339 0.000 1.107 289 R CA -0.856 54.471 56.100 -1.288 0.000 0.945 289 R CB 1.551 31.422 30.300 -0.715 0.000 1.219 289 R HN 0.752 nan 8.270 nan 0.000 0.434 290 L N 4.206 124.810 121.223 -1.031 0.000 2.262 290 L HA 0.617 5.375 4.340 0.698 0.000 0.288 290 L C -0.885 175.738 176.870 -0.412 0.000 1.035 290 L CA -0.040 54.464 54.840 -0.560 0.000 0.820 290 L CB 1.420 43.335 42.059 -0.239 0.000 1.204 290 L HN 0.743 nan 8.230 nan 0.000 0.424 291 A N 5.536 128.150 122.820 -0.343 0.000 2.582 291 A HA 0.515 5.254 4.320 0.698 0.000 0.336 291 A C -0.907 176.587 177.584 -0.151 0.000 1.445 291 A CA -0.504 51.376 52.037 -0.261 0.000 0.997 291 A CB -0.800 18.029 19.000 -0.286 0.000 1.148 291 A HN 0.951 nan 8.150 nan 0.000 0.514 292 Y N 0.779 120.931 120.300 -0.247 0.000 2.635 292 Y HA -0.113 4.855 4.550 0.697 0.000 0.027 292 Y C -1.473 174.318 175.900 -0.182 0.000 1.847 292 Y CA -0.022 57.959 58.100 -0.199 0.000 1.327 292 Y CB -0.575 37.764 38.460 -0.202 0.000 1.982 292 Y HN 0.733 nan 8.280 nan 0.000 0.272 293 L N 7.703 128.346 121.223 -0.967 0.000 2.439 293 L HA 0.268 5.027 4.340 0.698 0.000 0.270 293 L C 0.615 177.030 176.870 -0.757 0.000 0.972 293 L CA -0.451 53.963 54.840 -0.711 0.000 0.836 293 L CB 1.621 43.369 42.059 -0.519 0.000 1.255 293 L HN 0.970 nan 8.230 nan 0.000 0.404 294 D N 3.255 123.360 120.400 -0.492 0.000 2.117 294 D HA -0.192 4.866 4.640 0.698 0.000 0.198 294 D C 0.147 176.502 176.300 0.093 0.000 0.982 294 D CA 0.925 54.842 54.000 -0.139 0.000 0.828 294 D CB 0.118 40.980 40.800 0.103 0.000 0.967 294 D HN 0.519 nan 8.370 nan 0.000 0.464 295 Y N 0.810 121.111 120.300 0.001 0.000 2.702 295 Y HA -0.081 4.887 4.550 0.698 0.000 0.336 295 Y C -0.577 175.443 175.900 0.200 0.000 1.235 295 Y CA -0.059 58.112 58.100 0.117 0.000 1.492 295 Y CB 0.104 38.627 38.460 0.105 0.000 1.308 295 Y HN -0.106 nan 8.280 nan 0.000 0.589 296 Y N 6.592 126.581 120.300 -0.518 0.000 2.486 296 Y HA 0.186 5.155 4.550 0.699 0.000 0.348 296 Y C 0.163 175.866 175.900 -0.328 0.000 1.000 296 Y CA -0.895 57.004 58.100 -0.336 0.000 1.253 296 Y CB -0.081 38.209 38.460 -0.282 0.000 1.140 296 Y HN 0.460 nan 8.280 nan 0.000 0.526 297 L N 4.203 125.461 121.223 0.058 0.000 2.514 297 L HA -0.075 4.684 4.340 0.698 0.000 0.280 297 L C 0.706 177.631 176.870 0.091 0.000 1.223 297 L CA 0.395 55.319 54.840 0.141 0.000 0.864 297 L CB 0.559 42.700 42.059 0.136 0.000 1.118 297 L HN 0.641 nan 8.230 nan 0.000 0.494 298 D N 0.160 120.627 120.400 0.111 0.000 2.584 298 D HA 0.008 5.067 4.640 0.698 0.000 0.254 298 D C 0.228 176.531 176.300 0.005 0.000 1.085 298 D CA 0.613 54.648 54.000 0.058 0.000 0.971 298 D CB 0.292 41.142 40.800 0.083 0.000 1.103 298 D HN 0.568 nan 8.370 nan 0.000 0.453 299 D N -0.078 120.311 120.400 -0.018 0.000 2.299 299 D HA 0.206 5.265 4.640 0.698 0.000 0.243 299 D C 0.296 176.522 176.300 -0.123 0.000 0.982 299 D CA -0.532 53.418 54.000 -0.084 0.000 0.924 299 D CB 2.770 43.517 40.800 -0.088 0.000 1.238 299 D HN 0.034 nan 8.370 nan 0.000 0.484 300 I N 2.278 122.770 120.570 -0.131 0.000 4.244 300 I HA 0.030 4.619 4.170 0.698 0.000 0.318 300 I C 1.784 177.923 176.117 0.036 0.000 1.282 300 I CA -0.130 61.135 61.300 -0.059 0.000 1.276 300 I CB 0.327 38.373 38.000 0.078 0.000 1.183 300 I HN 0.406 nan 8.210 nan 0.000 0.431 301 I N 0.814 121.384 120.570 -0.000 0.000 2.406 301 I HA -0.114 4.475 4.170 0.698 0.000 0.249 301 I C 1.569 177.606 176.117 -0.133 0.000 1.122 301 I CA 1.832 63.123 61.300 -0.016 0.000 1.431 301 I CB -0.381 37.487 38.000 -0.220 0.000 1.087 301 I HN 0.073 nan 8.210 nan 0.000 0.424 302 D N 0.480 120.783 120.400 -0.161 0.000 2.234 302 D HA -0.056 5.003 4.640 0.698 0.000 0.205 302 D C 2.214 178.419 176.300 -0.158 0.000 0.962 302 D CA 0.888 54.793 54.000 -0.159 0.000 0.855 302 D CB -0.079 40.637 40.800 -0.139 0.000 0.951 302 D HN 0.399 nan 8.370 nan 0.000 0.500 303 L N -0.644 120.437 121.223 -0.236 0.000 2.072 303 L HA -0.042 4.716 4.340 0.698 0.000 0.205 303 L C 1.083 177.757 176.870 -0.327 0.000 1.079 303 L CA 1.116 55.729 54.840 -0.379 0.000 0.752 303 L CB -0.017 41.634 42.059 -0.680 0.000 0.906 303 L HN -0.054 nan 8.230 nan 0.000 0.436 304 F N -0.447 119.536 119.950 0.054 0.000 2.647 304 F HA 0.093 5.039 4.527 0.698 0.000 0.300 304 F C 1.418 177.234 175.800 0.026 0.000 1.106 304 F CA -0.532 57.467 58.000 -0.002 0.000 1.313 304 F CB -0.186 38.755 39.000 -0.098 0.000 1.007 304 F HN 0.243 nan 8.300 nan 0.000 0.536 305 N N -0.854 117.951 118.700 0.174 0.000 2.573 305 N HA -0.129 5.029 4.740 0.698 0.000 0.187 305 N C 1.111 176.688 175.510 0.111 0.000 1.107 305 N CA 0.717 53.862 53.050 0.158 0.000 0.918 305 N CB -0.943 37.521 38.487 -0.038 0.000 0.966 305 N HN 0.211 nan 8.380 nan 0.000 0.448 306 c N -0.533 118.109 118.600 0.070 0.000 2.594 306 c HA 0.306 5.295 4.570 0.698 0.000 0.265 306 c C 1.148 175.260 174.090 0.037 0.000 1.351 306 c CA -0.203 56.145 56.329 0.031 0.000 1.744 306 c CB -0.870 41.631 42.510 -0.016 0.000 1.890 306 c HN 0.406 nan 8.230 nan 0.000 0.551 307 L N 0.455 121.715 121.223 0.061 0.000 2.872 307 L HA 0.118 4.877 4.340 0.698 0.000 0.245 307 L C 2.159 179.194 176.870 0.274 0.000 1.211 307 L CA 0.735 55.616 54.840 0.069 0.000 1.013 307 L CB -1.848 40.168 42.059 -0.072 0.000 1.326 307 L HN 0.265 nan 8.230 nan 0.000 0.525 308 T N 0.144 114.866 114.554 0.280 0.000 2.821 308 T HA -0.114 4.655 4.350 0.698 0.000 0.267 308 T C 1.616 176.493 174.700 0.295 0.000 1.046 308 T CA 1.477 63.797 62.100 0.366 0.000 1.139 308 T CB 0.146 69.224 68.868 0.349 0.000 0.871 308 T HN 0.305 nan 8.240 nan 0.000 0.454 309 N N 0.968 119.796 118.700 0.214 0.000 2.457 309 N HA 0.039 5.198 4.740 0.698 0.000 0.180 309 N C 0.558 176.188 175.510 0.201 0.000 1.050 309 N CA 0.066 53.219 53.050 0.172 0.000 0.906 309 N CB -0.320 38.235 38.487 0.113 0.000 0.968 309 N HN 0.267 nan 8.380 nan 0.000 0.445 310 V N 1.776 121.834 119.914 0.240 0.000 2.928 310 V HA -0.113 4.425 4.120 0.698 0.000 0.307 310 V C 1.688 177.923 176.094 0.235 0.000 1.105 310 V CA 0.650 63.066 62.300 0.195 0.000 1.223 310 V CB 1.252 33.172 31.823 0.161 0.000 0.930 310 V HN 0.367 nan 8.190 nan 0.000 0.499 311 S N 2.293 118.075 115.700 0.136 0.000 2.470 311 S HA 0.085 4.974 4.470 0.698 0.000 0.222 311 S C 0.868 175.537 174.600 0.116 0.000 1.024 311 S CA 0.508 58.796 58.200 0.147 0.000 0.931 311 S CB 0.291 63.555 63.200 0.106 0.000 0.791 311 S HN 0.696 nan 8.310 nan 0.000 0.513 312 S N 0.450 116.162 115.700 0.020 0.000 2.659 312 S HA 0.653 5.541 4.470 0.698 0.000 0.312 312 S C -1.528 172.935 174.600 -0.228 0.000 1.114 312 S CA -0.749 57.425 58.200 -0.044 0.000 1.063 312 S CB 0.491 63.703 63.200 0.021 0.000 0.996 312 S HN 0.376 nan 8.310 nan 0.000 0.478 313 F N 4.397 123.961 119.950 -0.644 0.000 2.444 313 F HA 0.705 5.650 4.527 0.696 0.000 0.342 313 F C -0.089 175.270 175.800 -0.734 0.000 1.121 313 F CA -0.220 57.237 58.000 -0.905 0.000 0.997 313 F CB 1.803 39.598 39.000 -2.009 0.000 1.130 313 F HN 0.513 nan 8.300 nan 0.000 0.454 314 S N 6.635 121.582 115.700 -1.254 0.000 2.536 314 S HA 0.770 5.659 4.470 0.698 0.000 0.287 314 S C -1.610 172.415 174.600 -0.957 0.000 1.101 314 S CA -0.637 57.019 58.200 -0.908 0.000 0.950 314 S CB 0.992 63.819 63.200 -0.621 0.000 1.056 314 S HN 0.673 nan 8.310 nan 0.000 0.481 315 L N 4.476 125.347 121.223 -0.587 0.000 2.415 315 L HA 0.599 5.358 4.340 0.698 0.000 0.268 315 L C -0.740 175.966 176.870 -0.273 0.000 0.984 315 L CA -0.814 53.782 54.840 -0.408 0.000 0.853 315 L CB 1.773 43.702 42.059 -0.217 0.000 1.215 315 L HN 0.525 nan 8.230 nan 0.000 0.419 316 V N 2.747 122.504 119.914 -0.262 0.000 2.417 316 V HA 0.491 5.030 4.120 0.698 0.000 0.291 316 V C 0.464 176.484 176.094 -0.125 0.000 1.024 316 V CA 0.072 62.261 62.300 -0.186 0.000 0.861 316 V CB 1.722 33.433 31.823 -0.187 0.000 0.985 316 V HN 0.862 nan 8.190 nan 0.000 0.436 317 S N 2.908 118.560 115.700 -0.079 0.000 3.697 317 S HA -0.131 4.757 4.470 0.698 0.000 0.388 317 S C -0.458 174.091 174.600 -0.085 0.000 0.941 317 S CA 1.023 59.215 58.200 -0.013 0.000 1.247 317 S CB -1.233 62.045 63.200 0.131 0.000 0.904 317 S HN 2.186 nan 8.310 nan 0.000 0.518 318 V N -0.143 119.704 119.914 -0.113 0.000 2.760 318 V HA 0.810 5.349 4.120 0.698 0.000 0.309 318 V C 0.111 176.139 176.094 -0.111 0.000 1.077 318 V CA -0.443 61.761 62.300 -0.160 0.000 0.910 318 V CB 2.402 34.150 31.823 -0.126 0.000 1.008 318 V HN 0.294 nan 8.190 nan 0.000 0.424 319 T N 7.553 121.988 114.554 -0.199 0.000 2.761 319 T HA 0.464 5.233 4.350 0.698 0.000 0.296 319 T C 0.839 175.492 174.700 -0.078 0.000 0.934 319 T CA 0.349 62.308 62.100 -0.234 0.000 1.091 319 T CB 0.457 68.919 68.868 -0.675 0.000 0.896 319 T HN 0.912 nan 8.240 nan 0.000 0.515 320 I N -0.268 120.341 120.570 0.066 0.000 3.947 320 I HA 0.362 4.951 4.170 0.698 0.000 0.327 320 I C 1.299 177.570 176.117 0.257 0.000 1.519 320 I CA -0.439 60.983 61.300 0.204 0.000 1.122 320 I CB -0.004 38.217 38.000 0.368 0.000 1.146 320 I HN 0.449 nan 8.210 nan 0.000 0.442 321 E N 1.807 122.099 120.200 0.153 0.000 2.070 321 E HA -0.194 4.575 4.350 0.698 0.000 0.197 321 E C 1.197 177.905 176.600 0.179 0.000 1.004 321 E CA 1.347 57.848 56.400 0.167 0.000 0.805 321 E CB -0.115 29.642 29.700 0.095 0.000 0.744 321 E HN 0.370 nan 8.360 nan 0.000 0.451 322 R N 0.584 121.169 120.500 0.141 0.000 2.395 322 R HA 0.018 4.777 4.340 0.698 0.000 0.202 322 R C -0.491 175.853 176.300 0.073 0.000 1.088 322 R CA 0.223 56.385 56.100 0.104 0.000 1.090 322 R CB -0.351 30.000 30.300 0.085 0.000 0.876 322 R HN -0.041 nan 8.270 nan 0.000 0.477 323 V N 0.707 120.679 119.914 0.097 0.000 2.370 323 V HA 0.181 4.719 4.120 0.698 0.000 0.283 323 V C 1.113 177.182 176.094 -0.042 0.000 1.023 323 V CA -0.639 61.615 62.300 -0.077 0.000 0.857 323 V CB 1.828 33.455 31.823 -0.326 0.000 0.985 323 V HN 0.038 nan 8.190 nan 0.000 0.443 324 K N 1.960 122.312 120.400 -0.080 0.000 2.284 324 K HA 0.110 4.849 4.320 0.698 0.000 0.198 324 K C 0.269 176.865 176.600 -0.007 0.000 1.048 324 K CA 0.627 56.922 56.287 0.013 0.000 0.987 324 K CB 0.398 32.903 32.500 0.008 0.000 0.800 324 K HN 0.719 nan 8.250 nan 0.000 0.486 325 D N -0.518 119.774 120.400 -0.180 0.000 2.481 325 D HA 0.141 5.199 4.640 0.698 0.000 0.246 325 D C -0.924 175.216 176.300 -0.267 0.000 1.109 325 D CA -0.456 53.475 54.000 -0.114 0.000 0.845 325 D CB 0.598 41.356 40.800 -0.070 0.000 1.160 325 D HN -0.134 nan 8.370 nan 0.000 0.534 326 F N 1.878 121.864 119.950 0.060 0.000 2.772 326 F HA 0.132 5.080 4.527 0.701 0.000 0.302 326 F C 1.982 177.815 175.800 0.055 0.000 1.136 326 F CA -0.297 57.755 58.000 0.086 0.000 1.322 326 F CB 0.753 39.782 39.000 0.049 0.000 0.967 326 F HN 0.239 nan 8.300 nan 0.000 0.513 327 S N -0.720 115.061 115.700 0.135 0.000 2.524 327 S HA -0.003 4.885 4.470 0.698 0.000 0.216 327 S C 0.563 175.138 174.600 -0.043 0.000 0.987 327 S CA -0.195 58.035 58.200 0.050 0.000 0.909 327 S CB -0.242 62.974 63.200 0.027 0.000 0.781 327 S HN 0.296 nan 8.310 nan 0.000 0.521 328 Y N 3.241 123.403 120.300 -0.229 0.000 2.683 328 Y HA 0.195 5.163 4.550 0.698 0.000 0.340 328 Y C 0.332 175.877 175.900 -0.592 0.000 1.245 328 Y CA -0.022 57.777 58.100 -0.502 0.000 1.485 328 Y CB 0.233 38.179 38.460 -0.857 0.000 1.328 328 Y HN 0.159 nan 8.280 nan 0.000 0.603 329 N N 5.260 123.079 118.700 -1.468 0.000 2.767 329 N HA 0.188 5.347 4.740 0.698 0.000 0.238 329 N C -1.642 173.218 175.510 -1.084 0.000 1.083 329 N CA -0.219 52.238 53.050 -0.988 0.000 0.964 329 N CB -0.507 37.589 38.487 -0.653 0.000 1.252 329 N HN 0.337 nan 8.380 nan 0.000 0.512 330 F N 0.001 119.507 119.950 -0.739 0.000 2.380 330 F HA 0.338 5.283 4.527 0.697 0.000 0.325 330 F C 1.968 177.471 175.800 -0.495 0.000 1.136 330 F CA -0.523 57.024 58.000 -0.755 0.000 1.171 330 F CB 0.955 38.897 39.000 -1.764 0.000 1.230 330 F HN 0.438 nan 8.300 nan 0.000 0.554 331 G N 1.043 109.799 108.800 -0.073 0.000 3.181 331 G HA2 -0.045 4.333 3.960 0.698 0.000 0.219 331 G HA3 -0.045 4.333 3.960 0.698 0.000 0.219 331 G C -0.275 174.750 174.900 0.208 0.000 1.182 331 G CA -0.367 44.763 45.100 0.051 0.000 0.791 331 G HN 0.356 nan 8.290 nan 0.000 0.537 332 W N 0.509 121.878 121.300 0.114 0.000 2.231 332 W HA 0.247 5.324 4.660 0.696 0.000 0.341 332 W C 0.984 177.560 176.519 0.096 0.000 1.298 332 W CA -0.562 56.837 57.345 0.090 0.000 1.266 332 W CB 0.202 29.700 29.460 0.062 0.000 1.172 332 W HN 0.273 nan 8.180 nan 0.000 0.568 333 Q N 0.052 120.048 119.800 0.328 0.000 2.353 333 Q HA 0.025 4.783 4.340 0.698 0.000 0.240 333 Q C 0.242 176.397 176.000 0.258 0.000 0.868 333 Q CA 0.476 56.420 55.803 0.236 0.000 0.944 333 Q CB 0.931 29.770 28.738 0.168 0.000 1.104 333 Q HN 0.478 nan 8.270 nan 0.000 0.531 334 H N 0.178 119.323 119.070 0.124 0.000 2.744 334 H HA 0.443 5.417 4.556 0.696 0.000 0.339 334 H C -1.917 173.445 175.328 0.057 0.000 1.004 334 H CA -0.934 55.150 56.048 0.060 0.000 1.257 334 H CB 1.516 31.264 29.762 -0.023 0.000 1.552 334 H HN -0.002 nan 8.280 nan 0.000 0.522 335 L N 5.163 126.295 121.223 -0.152 0.000 2.356 335 L HA 0.369 5.128 4.340 0.698 0.000 0.277 335 L C -0.949 175.759 176.870 -0.271 0.000 0.996 335 L CA -0.325 54.404 54.840 -0.184 0.000 0.822 335 L CB 1.716 43.875 42.059 0.167 0.000 1.256 335 L HN 0.787 nan 8.230 nan 0.000 0.413 336 E N 5.792 125.761 120.200 -0.385 0.000 2.216 336 E HA 0.451 5.219 4.350 0.698 0.000 0.260 336 E C -1.887 174.606 176.600 -0.179 0.000 0.880 336 E CA -0.546 55.708 56.400 -0.242 0.000 0.765 336 E CB 1.154 30.668 29.700 -0.310 0.000 1.174 336 E HN 0.736 nan 8.360 nan 0.000 0.417 337 L N 5.623 126.800 121.223 -0.075 0.000 2.318 337 L HA 0.478 5.236 4.340 0.698 0.000 0.277 337 L C -0.649 176.067 176.870 -0.257 0.000 1.008 337 L CA -1.036 53.724 54.840 -0.133 0.000 0.846 337 L CB 1.493 43.545 42.059 -0.011 0.000 1.220 337 L HN 0.403 nan 8.230 nan 0.000 0.423 338 V N 0.475 120.258 119.914 -0.219 0.000 2.638 338 V HA 0.492 5.031 4.120 0.698 0.000 0.306 338 V C 0.156 176.153 176.094 -0.161 0.000 1.052 338 V CA -0.588 61.589 62.300 -0.205 0.000 0.885 338 V CB 1.586 33.321 31.823 -0.146 0.000 0.999 338 V HN 0.937 nan 8.190 nan 0.000 0.424 339 N N 1.509 120.123 118.700 -0.143 0.000 2.758 339 N HA -0.153 5.006 4.740 0.698 0.000 0.248 339 N C -0.158 175.321 175.510 -0.051 0.000 1.076 339 N CA 0.662 53.666 53.050 -0.077 0.000 0.696 339 N CB -0.788 37.664 38.487 -0.059 0.000 0.979 339 N HN 0.922 nan 8.380 nan 0.000 0.550 340 C N 0.531 119.798 119.300 -0.056 0.000 2.397 340 C HA 0.469 5.348 4.460 0.698 0.000 0.343 340 C C 0.584 175.647 174.990 0.121 0.000 1.188 340 C CA -0.857 58.162 59.018 0.001 0.000 1.992 340 C CB 1.751 29.484 27.740 -0.013 0.000 2.358 340 C HN 0.203 nan 8.230 nan 0.000 0.518 341 K N 1.039 121.484 120.400 0.075 0.000 2.211 341 K HA 0.395 5.134 4.320 0.698 0.000 0.275 341 K C -0.224 176.480 176.600 0.174 0.000 1.024 341 K CA -0.055 56.267 56.287 0.059 0.000 0.887 341 K CB 0.689 33.135 32.500 -0.089 0.000 1.084 341 K HN 0.819 nan 8.250 nan 0.000 0.463 342 F N 0.763 120.734 119.950 0.035 0.000 2.577 342 F HA 0.285 5.229 4.527 0.696 0.000 0.282 342 F C 1.062 176.914 175.800 0.085 0.000 0.957 342 F CA 0.326 58.372 58.000 0.077 0.000 1.168 342 F CB -0.041 39.027 39.000 0.113 0.000 0.958 342 F HN 0.737 nan 8.300 nan 0.000 0.702 343 G N 1.231 109.755 108.800 -0.460 0.000 4.163 343 G HA2 -0.318 4.061 3.960 0.698 0.000 0.300 343 G HA3 -0.318 4.061 3.960 0.698 0.000 0.300 343 G C -0.061 174.833 174.900 -0.011 0.000 1.488 343 G CA 0.313 45.286 45.100 -0.212 0.000 1.052 343 G HN 0.699 nan 8.290 nan 0.000 0.687 344 Q N 0.381 120.272 119.800 0.152 0.000 2.259 344 Q HA 0.544 5.303 4.340 0.698 0.000 0.249 344 Q C -0.631 175.547 176.000 0.297 0.000 0.914 344 Q CA -0.867 55.053 55.803 0.195 0.000 0.904 344 Q CB 0.727 29.547 28.738 0.136 0.000 1.213 344 Q HN 0.403 nan 8.270 nan 0.000 0.428 345 F N 6.489 126.510 119.950 0.119 0.000 2.578 345 F HA 0.128 5.077 4.527 0.703 0.000 0.381 345 F C -1.706 173.896 175.800 -0.330 0.000 1.069 345 F CA -1.709 56.259 58.000 -0.053 0.000 1.231 345 F CB 0.559 39.464 39.000 -0.159 0.000 1.086 345 F HN 0.404 nan 8.300 nan 0.000 0.564 346 P HA -0.016 nan 4.420 nan 0.000 0.262 346 P C -0.595 176.274 177.300 -0.717 0.000 1.199 346 P CA -0.123 62.179 63.100 -1.329 0.000 0.763 346 P CB 0.114 30.968 31.700 -1.411 0.000 0.790 347 T N 2.451 116.823 114.554 -0.303 0.000 3.455 347 T HA 0.333 5.102 4.350 0.698 0.000 0.286 347 T C 0.626 175.337 174.700 0.019 0.000 1.157 347 T CA -0.632 61.424 62.100 -0.075 0.000 1.090 347 T CB -0.848 68.032 68.868 0.020 0.000 1.112 347 T HN 0.200 nan 8.240 nan 0.000 0.779 348 L N 2.337 123.544 121.223 -0.026 0.000 2.416 348 L HA 0.351 5.109 4.340 0.698 0.000 0.272 348 L C 1.091 177.998 176.870 0.062 0.000 1.161 348 L CA -0.106 54.768 54.840 0.057 0.000 0.845 348 L CB 0.495 42.581 42.059 0.045 0.000 1.119 348 L HN 0.520 nan 8.230 nan 0.000 0.464 349 K N 4.119 124.552 120.400 0.054 0.000 3.012 349 K HA 0.331 5.070 4.320 0.698 0.000 0.207 349 K C -0.991 175.599 176.600 -0.018 0.000 1.130 349 K CA -0.282 56.015 56.287 0.017 0.000 1.021 349 K CB 0.536 33.028 32.500 -0.013 0.000 0.736 349 K HN 0.457 nan 8.250 nan 0.000 0.448 350 L N 2.170 123.407 121.223 0.024 0.000 2.407 350 L HA 0.123 4.882 4.340 0.698 0.000 0.282 350 L C 1.253 178.135 176.870 0.021 0.000 1.110 350 L CA -0.392 54.450 54.840 0.004 0.000 0.863 350 L CB 0.277 42.396 42.059 0.100 0.000 1.207 350 L HN -0.009 nan 8.230 nan 0.000 0.454 351 K N 1.015 121.398 120.400 -0.027 0.000 2.097 351 K HA -0.055 4.684 4.320 0.698 0.000 0.205 351 K C 1.704 178.322 176.600 0.030 0.000 1.050 351 K CA 1.008 57.293 56.287 -0.003 0.000 0.938 351 K CB -0.119 32.358 32.500 -0.038 0.000 0.718 351 K HN 0.519 nan 8.250 nan 0.000 0.442 352 S N 0.977 116.697 115.700 0.034 0.000 2.528 352 S HA 0.017 4.905 4.470 0.698 0.000 0.219 352 S C 0.709 175.375 174.600 0.109 0.000 0.985 352 S CA -0.425 57.814 58.200 0.065 0.000 0.914 352 S CB -0.131 63.106 63.200 0.062 0.000 0.776 352 S HN 0.146 nan 8.310 nan 0.000 0.526 353 L N 2.750 124.054 121.223 0.136 0.000 2.578 353 L HA 0.027 4.786 4.340 0.698 0.000 0.279 353 L C 0.901 177.864 176.870 0.155 0.000 1.227 353 L CA 0.917 55.865 54.840 0.180 0.000 0.900 353 L CB 0.402 42.586 42.059 0.207 0.000 1.144 353 L HN -0.057 nan 8.230 nan 0.000 0.496 354 K N 4.065 124.561 120.400 0.160 0.000 2.367 354 K HA 0.242 4.981 4.320 0.698 0.000 0.198 354 K C -0.144 176.557 176.600 0.167 0.000 1.132 354 K CA 0.153 56.523 56.287 0.138 0.000 0.941 354 K CB 0.561 33.123 32.500 0.102 0.000 1.052 354 K HN 0.561 nan 8.250 nan 0.000 0.507 355 R N 1.058 121.677 120.500 0.198 0.000 2.561 355 R HA 0.415 5.174 4.340 0.698 0.000 0.297 355 R C -1.476 175.027 176.300 0.339 0.000 0.969 355 R CA -0.781 55.478 56.100 0.266 0.000 0.879 355 R CB 1.944 32.293 30.300 0.083 0.000 1.178 355 R HN -0.115 nan 8.270 nan 0.000 0.445 356 L N 1.336 122.773 121.223 0.356 0.000 2.376 356 L HA 0.466 5.224 4.340 0.698 0.000 0.275 356 L C -1.128 175.943 176.870 0.334 0.000 0.987 356 L CA 0.083 55.103 54.840 0.300 0.000 0.828 356 L CB 2.410 44.611 42.059 0.236 0.000 1.249 356 L HN 0.588 nan 8.230 nan 0.000 0.409 357 T N 5.708 120.437 114.554 0.291 0.000 2.842 357 T HA 0.384 5.153 4.350 0.698 0.000 0.308 357 T C -0.900 173.942 174.700 0.236 0.000 1.041 357 T CA 0.173 62.436 62.100 0.271 0.000 0.964 357 T CB 0.085 69.089 68.868 0.227 0.000 0.972 357 T HN 0.374 nan 8.240 nan 0.000 0.460 358 F N 4.510 124.519 119.950 0.098 0.000 2.453 358 F HA 0.452 5.394 4.527 0.692 0.000 0.358 358 F C 0.454 176.299 175.800 0.076 0.000 1.129 358 F CA -0.480 57.554 58.000 0.056 0.000 1.200 358 F CB 0.418 39.471 39.000 0.088 0.000 1.431 358 F HN 0.523 nan 8.300 nan 0.000 0.503 359 T N -0.682 113.794 114.554 -0.129 0.000 2.916 359 T HA 0.447 5.216 4.350 0.698 0.000 0.292 359 T C 0.379 174.988 174.700 -0.153 0.000 1.064 359 T CA -0.452 61.602 62.100 -0.076 0.000 1.011 359 T CB 1.631 70.501 68.868 0.004 0.000 1.152 359 T HN 0.309 nan 8.240 nan 0.000 0.510 360 S N 1.390 117.052 115.700 -0.063 0.000 3.549 360 S HA -0.147 4.742 4.470 0.698 0.000 0.366 360 S C -0.102 174.467 174.600 -0.052 0.000 1.012 360 S CA 0.304 58.475 58.200 -0.048 0.000 1.141 360 S CB -1.912 61.246 63.200 -0.068 0.000 0.910 360 S HN 0.826 nan 8.310 nan 0.000 0.471 361 N N 2.440 121.109 118.700 -0.051 0.000 2.426 361 N HA 0.197 5.356 4.740 0.698 0.000 0.275 361 N C -0.048 175.640 175.510 0.296 0.000 1.019 361 N CA -0.449 52.627 53.050 0.043 0.000 0.941 361 N CB 1.009 39.356 38.487 -0.233 0.000 1.123 361 N HN 0.541 nan 8.380 nan 0.000 0.486 362 K N 0.836 121.349 120.400 0.187 0.000 2.273 362 K HA 0.563 5.302 4.320 0.698 0.000 0.287 362 K C 0.264 176.830 176.600 -0.056 0.000 1.089 362 K CA -0.752 55.587 56.287 0.088 0.000 0.909 362 K CB 0.924 33.441 32.500 0.028 0.000 1.123 362 K HN 0.574 nan 8.250 nan 0.000 0.473 363 G N 2.406 111.018 108.800 -0.314 0.000 3.206 363 G HA2 0.396 4.775 3.960 0.698 0.000 0.146 363 G HA3 0.396 4.775 3.960 0.698 0.000 0.146 363 G C -0.189 174.277 174.900 -0.723 0.000 1.214 363 G CA -0.212 44.294 45.100 -0.991 0.000 1.297 363 G HN 0.632 nan 8.290 nan 0.000 0.659 364 G N -0.072 108.138 108.800 -0.983 0.000 2.486 364 G HA2 0.406 4.784 3.960 0.698 0.000 0.272 364 G HA3 0.406 4.784 3.960 0.698 0.000 0.272 364 G C 0.384 175.289 174.900 0.008 0.000 1.426 364 G CA 0.561 45.507 45.100 -0.257 0.000 1.058 364 G HN 1.155 nan 8.290 nan 0.000 0.531 365 N N -1.553 117.204 118.700 0.094 0.000 2.286 365 N HA 0.331 5.490 4.740 0.698 0.000 0.245 365 N C -0.393 175.175 175.510 0.097 0.000 1.363 365 N CA 0.098 53.224 53.050 0.126 0.000 0.822 365 N CB 1.094 39.631 38.487 0.084 0.000 1.345 365 N HN 0.613 nan 8.380 nan 0.000 0.494 366 A N 0.887 123.760 122.820 0.089 0.000 2.385 366 A HA 0.547 5.286 4.320 0.698 0.000 0.290 366 A C -1.400 176.113 177.584 -0.119 0.000 1.094 366 A CA -0.649 51.380 52.037 -0.012 0.000 0.729 366 A CB 1.024 20.021 19.000 -0.004 0.000 1.194 366 A HN 0.283 nan 8.150 nan 0.000 0.442 367 F N 3.524 123.135 119.950 -0.566 0.000 2.389 367 F HA 0.610 5.569 4.527 0.720 0.000 0.337 367 F C 0.614 176.068 175.800 -0.576 0.000 1.112 367 F CA 0.616 58.017 58.000 -0.998 0.000 1.192 367 F CB 1.192 39.209 39.000 -1.639 0.000 1.185 367 F HN 0.651 nan 8.300 nan 0.000 0.552 368 S N 3.004 117.872 115.700 -1.387 0.000 2.595 368 S HA 0.462 5.351 4.470 0.698 0.000 0.281 368 S C -1.194 172.696 174.600 -1.182 0.000 1.117 368 S CA -1.192 56.503 58.200 -0.842 0.000 0.873 368 S CB 1.345 64.338 63.200 -0.345 0.000 1.108 368 S HN 0.717 nan 8.310 nan 0.000 0.477 369 E N 0.463 120.318 120.200 -0.574 0.000 2.467 369 E HA 0.317 5.085 4.350 0.698 0.000 0.264 369 E C 0.207 176.687 176.600 -0.201 0.000 1.020 369 E CA -0.215 55.988 56.400 -0.328 0.000 0.945 369 E CB 0.340 29.957 29.700 -0.139 0.000 0.942 369 E HN 0.637 nan 8.360 nan 0.000 0.449 370 V N -1.275 118.638 119.914 -0.002 0.000 3.126 370 V HA 0.544 5.083 4.120 0.698 0.000 0.314 370 V C -0.785 175.380 176.094 0.119 0.000 1.138 370 V CA -1.028 61.328 62.300 0.094 0.000 1.034 370 V CB 2.182 34.148 31.823 0.239 0.000 1.075 370 V HN 0.634 nan 8.190 nan 0.000 0.442 371 D N 1.275 121.739 120.400 0.106 0.000 2.405 371 D HA 0.420 5.478 4.640 0.698 0.000 0.264 371 D C -0.833 175.529 176.300 0.104 0.000 1.240 371 D CA -0.152 53.906 54.000 0.097 0.000 0.893 371 D CB 0.404 41.234 40.800 0.050 0.000 1.198 371 D HN 0.661 nan 8.370 nan 0.000 0.514 372 L N 4.644 125.956 121.223 0.148 0.000 2.506 372 L HA 0.386 5.145 4.340 0.698 0.000 0.247 372 L C -1.339 175.608 176.870 0.129 0.000 1.141 372 L CA -1.531 53.392 54.840 0.137 0.000 0.973 372 L CB 1.241 43.401 42.059 0.169 0.000 1.319 372 L HN 0.170 nan 8.230 nan 0.000 0.455 373 P HA -0.185 nan 4.420 nan 0.000 0.218 373 P C 1.029 178.381 177.300 0.088 0.000 1.146 373 P CA 1.290 64.442 63.100 0.086 0.000 0.820 373 P CB 0.468 32.203 31.700 0.058 0.000 0.778 374 S N -1.144 114.609 115.700 0.089 0.000 2.556 374 S HA 0.114 5.002 4.470 0.698 0.000 0.216 374 S C 0.779 175.442 174.600 0.104 0.000 0.970 374 S CA -0.519 57.734 58.200 0.088 0.000 0.912 374 S CB -0.543 62.705 63.200 0.080 0.000 0.790 374 S HN 0.033 nan 8.310 nan 0.000 0.504 375 L N 2.743 124.038 121.223 0.119 0.000 2.540 375 L HA 0.042 4.801 4.340 0.698 0.000 0.276 375 L C 0.844 177.781 176.870 0.112 0.000 1.212 375 L CA 1.209 56.124 54.840 0.126 0.000 0.893 375 L CB 0.309 42.448 42.059 0.132 0.000 1.138 375 L HN 0.130 nan 8.230 nan 0.000 0.491 376 E N 3.368 123.642 120.200 0.122 0.000 2.441 376 E HA 0.091 4.860 4.350 0.698 0.000 0.207 376 E C -0.722 175.962 176.600 0.141 0.000 0.803 376 E CA -0.073 56.399 56.400 0.120 0.000 1.240 376 E CB 0.594 30.364 29.700 0.117 0.000 1.233 376 E HN 0.438 nan 8.360 nan 0.000 0.590 377 F N 2.138 122.085 119.950 -0.004 0.000 2.444 377 F HA 0.481 5.435 4.527 0.712 0.000 0.342 377 F C -1.108 174.679 175.800 -0.021 0.000 1.121 377 F CA -0.794 57.167 58.000 -0.065 0.000 0.997 377 F CB 1.111 39.999 39.000 -0.187 0.000 1.130 377 F HN -0.190 nan 8.300 nan 0.000 0.454 378 L N 6.766 127.696 121.223 -0.488 0.000 2.471 378 L HA 0.320 5.078 4.340 0.698 0.000 0.263 378 L C -1.766 174.946 176.870 -0.265 0.000 0.985 378 L CA -0.421 54.272 54.840 -0.245 0.000 0.868 378 L CB 0.992 42.898 42.059 -0.256 0.000 1.203 378 L HN 0.563 nan 8.230 nan 0.000 0.429 379 D N 4.771 125.116 120.400 -0.092 0.000 2.349 379 D HA 0.305 5.363 4.640 0.698 0.000 0.232 379 D C -0.468 175.944 176.300 0.186 0.000 1.071 379 D CA -0.229 53.805 54.000 0.057 0.000 0.832 379 D CB 1.995 42.907 40.800 0.187 0.000 1.086 379 D HN 0.403 nan 8.370 nan 0.000 0.504 380 L N 3.301 124.638 121.223 0.191 0.000 3.347 380 L HA 0.197 4.956 4.340 0.698 0.000 0.306 380 L C 0.063 177.116 176.870 0.304 0.000 1.301 380 L CA -0.169 54.867 54.840 0.325 0.000 0.985 380 L CB 0.114 42.361 42.059 0.313 0.000 1.400 380 L HN 0.368 nan 8.230 nan 0.000 0.601 381 S N -0.611 115.231 115.700 0.237 0.000 2.617 381 S HA 0.541 5.430 4.470 0.698 0.000 0.269 381 S C 0.638 175.369 174.600 0.218 0.000 1.292 381 S CA -0.527 57.820 58.200 0.244 0.000 1.010 381 S CB 0.865 64.204 63.200 0.232 0.000 0.944 381 S HN 0.375 nan 8.310 nan 0.000 0.536 382 R N 0.759 121.415 120.500 0.260 0.000 3.422 382 R HA -0.125 4.634 4.340 0.698 0.000 0.267 382 R C -0.486 175.926 176.300 0.186 0.000 1.074 382 R CA 0.704 56.913 56.100 0.181 0.000 0.718 382 R CB -2.483 27.813 30.300 -0.007 0.000 1.157 382 R HN 0.731 nan 8.270 nan 0.000 0.440 383 N N -0.534 118.329 118.700 0.272 0.000 2.159 383 N HA 0.082 5.241 4.740 0.698 0.000 0.217 383 N C 1.137 176.843 175.510 0.327 0.000 1.223 383 N CA 0.879 54.121 53.050 0.320 0.000 0.896 383 N CB 1.424 40.177 38.487 0.444 0.000 1.064 383 N HN 0.519 nan 8.380 nan 0.000 0.518 384 G N 1.731 110.702 108.800 0.285 0.000 2.168 384 G HA2 -0.283 4.096 3.960 0.698 0.000 0.257 384 G HA3 -0.283 4.096 3.960 0.698 0.000 0.257 384 G C 0.135 175.188 174.900 0.256 0.000 0.997 384 G CA 0.226 45.472 45.100 0.243 0.000 0.708 384 G HN 0.246 nan 8.290 nan 0.000 0.520 385 L N 0.452 121.866 121.223 0.320 0.000 2.467 385 L HA 0.467 5.226 4.340 0.698 0.000 0.270 385 L C 0.643 177.686 176.870 0.288 0.000 1.205 385 L CA 0.126 55.130 54.840 0.274 0.000 0.828 385 L CB 1.074 43.288 42.059 0.259 0.000 1.101 385 L HN 0.153 nan 8.230 nan 0.000 0.479 386 S N 1.472 117.257 115.700 0.142 0.000 2.561 386 S HA 0.588 5.477 4.470 0.698 0.000 0.303 386 S C -0.807 173.848 174.600 0.092 0.000 1.110 386 S CA -0.498 57.828 58.200 0.210 0.000 1.034 386 S CB 0.971 64.246 63.200 0.125 0.000 1.010 386 S HN 0.241 nan 8.310 nan 0.000 0.482 387 F N 2.647 122.617 119.950 0.032 0.000 2.427 387 F HA 0.379 5.354 4.527 0.746 0.000 0.346 387 F C 1.376 177.184 175.800 0.014 0.000 1.120 387 F CA -0.901 57.118 58.000 0.031 0.000 1.033 387 F CB 1.443 40.413 39.000 -0.051 0.000 1.126 387 F HN 0.587 nan 8.300 nan 0.000 0.462 388 K N 1.365 121.853 120.400 0.147 0.000 2.404 388 K HA 0.393 5.132 4.320 0.698 0.000 0.194 388 K C 0.279 176.913 176.600 0.056 0.000 1.023 388 K CA 0.272 56.606 56.287 0.079 0.000 1.094 388 K CB 0.590 33.112 32.500 0.037 0.000 0.841 388 K HN 0.746 nan 8.250 nan 0.000 0.523 389 G N 1.094 109.940 108.800 0.076 0.000 2.182 389 G HA2 0.271 4.650 3.960 0.698 0.000 0.293 389 G HA3 0.271 4.650 3.960 0.698 0.000 0.293 389 G C -1.655 173.243 174.900 -0.003 0.000 1.409 389 G CA -0.582 44.531 45.100 0.021 0.000 1.153 389 G HN 0.169 nan 8.290 nan 0.000 0.586 390 C N 1.717 120.987 119.300 -0.050 0.000 2.397 390 C HA 0.889 5.767 4.460 0.698 0.000 0.343 390 C C 0.272 175.138 174.990 -0.207 0.000 1.188 390 C CA -0.151 58.784 59.018 -0.139 0.000 1.992 390 C CB 0.124 27.766 27.740 -0.163 0.000 2.358 390 C HN 0.863 nan 8.230 nan 0.000 0.518 391 C N 2.934 122.007 119.300 -0.379 0.000 2.609 391 C HA 0.841 5.720 4.460 0.698 0.000 0.313 391 C C -0.171 174.635 174.990 -0.306 0.000 1.175 391 C CA -0.465 58.264 59.018 -0.481 0.000 1.434 391 C CB 0.646 27.678 27.740 -1.180 0.000 2.005 391 C HN 0.962 nan 8.230 nan 0.000 0.471 392 S N 0.039 115.637 115.700 -0.169 0.000 2.638 392 S HA 0.412 5.300 4.470 0.698 0.000 0.274 392 S C 0.412 175.008 174.600 -0.006 0.000 1.157 392 S CA -0.332 57.836 58.200 -0.054 0.000 0.826 392 S CB 1.550 64.712 63.200 -0.063 0.000 1.139 392 S HN 0.888 nan 8.310 nan 0.000 0.474 393 Q N 0.952 120.790 119.800 0.065 0.000 2.378 393 Q HA 0.037 4.796 4.340 0.698 0.000 0.205 393 Q C 1.282 177.314 176.000 0.054 0.000 0.954 393 Q CA 1.778 57.653 55.803 0.119 0.000 0.901 393 Q CB -0.337 28.477 28.738 0.126 0.000 0.981 393 Q HN 0.555 nan 8.270 nan 0.000 0.483 394 S N -0.451 115.242 115.700 -0.011 0.000 2.555 394 S HA -0.058 4.830 4.470 0.698 0.000 0.230 394 S C 0.563 175.111 174.600 -0.086 0.000 0.978 394 S CA 0.852 59.035 58.200 -0.028 0.000 0.934 394 S CB 0.036 63.218 63.200 -0.030 0.000 0.766 394 S HN 0.384 nan 8.310 nan 0.000 0.533 395 D N 0.677 120.938 120.400 -0.232 0.000 2.213 395 D HA 0.186 5.245 4.640 0.698 0.000 0.205 395 D C 1.009 177.094 176.300 -0.358 0.000 0.961 395 D CA 0.899 54.657 54.000 -0.403 0.000 0.853 395 D CB -0.090 40.215 40.800 -0.824 0.000 0.967 395 D HN 0.586 nan 8.370 nan 0.000 0.496 396 F N -1.489 118.588 119.950 0.211 0.000 2.712 396 F HA 0.317 5.256 4.527 0.687 0.000 0.297 396 F C 1.749 177.634 175.800 0.142 0.000 1.114 396 F CA -0.012 58.113 58.000 0.207 0.000 1.305 396 F CB 0.738 39.853 39.000 0.192 0.000 1.086 396 F HN -0.021 nan 8.300 nan 0.000 0.599 397 G N 1.355 110.294 108.800 0.231 0.000 2.136 397 G HA2 -0.224 4.155 3.960 0.698 0.000 0.242 397 G HA3 -0.224 4.155 3.960 0.698 0.000 0.242 397 G C 0.107 175.106 174.900 0.164 0.000 0.989 397 G CA 0.472 45.666 45.100 0.157 0.000 0.682 397 G HN 0.424 nan 8.290 nan 0.000 0.522 398 T N -1.209 113.473 114.554 0.214 0.000 2.901 398 T HA 0.722 5.491 4.350 0.698 0.000 0.293 398 T C 0.827 175.632 174.700 0.175 0.000 1.084 398 T CA 0.980 63.187 62.100 0.179 0.000 1.008 398 T CB 1.672 70.650 68.868 0.185 0.000 1.170 398 T HN 0.942 nan 8.240 nan 0.000 0.509 399 T N -0.695 113.942 114.554 0.138 0.000 3.399 399 T HA 0.329 5.098 4.350 0.698 0.000 0.305 399 T C 0.530 175.298 174.700 0.114 0.000 0.983 399 T CA -0.390 61.787 62.100 0.130 0.000 0.967 399 T CB -0.076 68.855 68.868 0.105 0.000 1.186 399 T HN 0.339 nan 8.240 nan 0.000 0.504 400 S N 0.558 116.326 115.700 0.114 0.000 2.666 400 S HA 0.382 5.270 4.470 0.698 0.000 0.239 400 S C 0.401 175.060 174.600 0.099 0.000 1.031 400 S CA -0.554 57.705 58.200 0.098 0.000 1.015 400 S CB 0.253 63.506 63.200 0.089 0.000 0.981 400 S HN 0.479 nan 8.310 nan 0.000 0.547 401 L N 2.736 124.023 121.223 0.107 0.000 2.601 401 L HA 0.056 4.814 4.340 0.698 0.000 0.277 401 L C 0.917 177.837 176.870 0.083 0.000 1.219 401 L CA 0.865 55.754 54.840 0.082 0.000 0.915 401 L CB 0.602 42.702 42.059 0.068 0.000 1.160 401 L HN 0.245 nan 8.230 nan 0.000 0.494 402 K N 3.915 124.368 120.400 0.087 0.000 2.436 402 K HA 0.074 4.813 4.320 0.698 0.000 0.198 402 K C -0.555 176.117 176.600 0.121 0.000 1.174 402 K CA 0.056 56.403 56.287 0.101 0.000 0.951 402 K CB 0.784 33.355 32.500 0.119 0.000 1.040 402 K HN 0.448 nan 8.250 nan 0.000 0.536 403 Y N 1.014 121.259 120.300 -0.092 0.000 2.391 403 Y HA 0.473 5.458 4.550 0.726 0.000 0.341 403 Y C -1.747 173.952 175.900 -0.335 0.000 0.965 403 Y CA -1.475 56.496 58.100 -0.215 0.000 1.067 403 Y CB 1.496 39.737 38.460 -0.365 0.000 1.199 403 Y HN -0.161 nan 8.280 nan 0.000 0.450 404 L N 6.907 127.959 121.223 -0.285 0.000 2.491 404 L HA 0.435 5.194 4.340 0.698 0.000 0.267 404 L C -2.044 174.622 176.870 -0.341 0.000 0.971 404 L CA -0.320 54.356 54.840 -0.274 0.000 0.857 404 L CB 1.608 43.531 42.059 -0.227 0.000 1.226 404 L HN 0.704 nan 8.230 nan 0.000 0.408 405 D N 5.326 125.590 120.400 -0.227 0.000 2.461 405 D HA 0.342 5.400 4.640 0.698 0.000 0.240 405 D C -0.394 175.866 176.300 -0.066 0.000 1.094 405 D CA -0.049 53.872 54.000 -0.132 0.000 0.868 405 D CB 0.882 41.706 40.800 0.040 0.000 1.062 405 D HN 0.663 nan 8.370 nan 0.000 0.530 406 L N 2.815 123.958 121.223 -0.135 0.000 3.094 406 L HA 0.184 4.943 4.340 0.698 0.000 0.254 406 L C 0.740 177.664 176.870 0.090 0.000 1.298 406 L CA -0.421 54.386 54.840 -0.054 0.000 1.050 406 L CB 0.109 42.036 42.059 -0.221 0.000 1.420 406 L HN 0.239 nan 8.230 nan 0.000 0.548 407 S N -1.225 114.570 115.700 0.159 0.000 2.617 407 S HA 0.460 5.349 4.470 0.698 0.000 0.269 407 S C 0.252 175.086 174.600 0.390 0.000 1.292 407 S CA -0.433 57.897 58.200 0.217 0.000 1.010 407 S CB 0.532 63.899 63.200 0.278 0.000 0.944 407 S HN 0.266 nan 8.310 nan 0.000 0.536 408 F N -0.080 119.965 119.950 0.158 0.000 2.905 408 F HA -0.164 4.803 4.527 0.734 0.000 0.291 408 F C 0.291 176.179 175.800 0.148 0.000 1.002 408 F CA 0.382 58.463 58.000 0.136 0.000 0.978 408 F CB -2.216 36.834 39.000 0.083 0.000 1.036 408 F HN 0.673 nan 8.300 nan 0.000 0.820 409 N N -0.434 118.415 118.700 0.249 0.000 3.283 409 N HA 0.698 5.857 4.740 0.698 0.000 0.338 409 N C 0.928 176.558 175.510 0.200 0.000 1.517 409 N CA -0.137 53.069 53.050 0.259 0.000 0.733 409 N CB 0.718 39.393 38.487 0.312 0.000 1.797 409 N HN 0.204 nan 8.380 nan 0.000 0.637 410 G N 0.108 109.035 108.800 0.212 0.000 3.152 410 G HA2 0.276 4.655 3.960 0.698 0.000 0.157 410 G HA3 0.276 4.655 3.960 0.698 0.000 0.157 410 G C -0.293 174.690 174.900 0.139 0.000 1.786 410 G CA -0.005 45.193 45.100 0.163 0.000 1.055 410 G HN 0.261 nan 8.290 nan 0.000 0.528 411 V N 0.851 120.843 119.914 0.130 0.000 2.546 411 V HA 0.393 4.931 4.120 0.698 0.000 0.284 411 V C -0.164 175.999 176.094 0.114 0.000 1.050 411 V CA 0.061 62.417 62.300 0.093 0.000 0.981 411 V CB 1.278 33.145 31.823 0.072 0.000 0.990 411 V HN 0.346 nan 8.190 nan 0.000 0.474 412 I N 3.644 124.226 120.570 0.021 0.000 2.466 412 I HA 0.228 4.816 4.170 0.698 0.000 0.279 412 I C -0.012 176.046 176.117 -0.098 0.000 1.033 412 I CA -0.196 61.087 61.300 -0.028 0.000 1.123 412 I CB 1.665 39.539 38.000 -0.209 0.000 1.237 412 I HN 0.535 nan 8.210 nan 0.000 0.460 413 T N 6.594 121.131 114.554 -0.028 0.000 2.761 413 T HA 0.339 5.108 4.350 0.698 0.000 0.296 413 T C 0.313 174.968 174.700 -0.075 0.000 0.934 413 T CA -0.379 61.690 62.100 -0.051 0.000 1.091 413 T CB 0.540 69.404 68.868 -0.007 0.000 0.896 413 T HN 0.251 nan 8.240 nan 0.000 0.515 414 M N 3.646 123.179 119.600 -0.112 0.000 2.120 414 M HA 0.274 5.173 4.480 0.698 0.000 0.354 414 M C 0.813 177.181 176.300 0.113 0.000 1.287 414 M CA -0.276 54.968 55.300 -0.092 0.000 1.103 414 M CB 0.669 33.113 32.600 -0.259 0.000 1.623 414 M HN 0.809 nan 8.290 nan 0.000 0.471 415 S N 0.008 115.787 115.700 0.133 0.000 2.820 415 S HA 0.236 5.125 4.470 0.698 0.000 0.265 415 S C 0.198 174.788 174.600 -0.017 0.000 1.043 415 S CA -0.526 57.733 58.200 0.097 0.000 1.245 415 S CB 0.515 63.710 63.200 -0.008 0.000 1.187 415 S HN 0.606 nan 8.310 nan 0.000 0.673 416 S N 2.548 118.290 115.700 0.069 0.000 2.603 416 S HA 0.447 5.335 4.470 0.698 0.000 0.274 416 S C -1.520 173.134 174.600 0.090 0.000 1.168 416 S CA -0.636 57.562 58.200 -0.002 0.000 0.963 416 S CB 0.648 63.810 63.200 -0.065 0.000 1.078 416 S HN 0.384 nan 8.310 nan 0.000 0.477 417 N N 3.548 122.386 118.700 0.231 0.000 3.254 417 N HA 0.231 5.389 4.740 0.698 0.000 0.308 417 N C -0.378 175.421 175.510 0.481 0.000 1.281 417 N CA -0.483 52.801 53.050 0.389 0.000 1.212 417 N CB -1.230 37.508 38.487 0.417 0.000 1.478 417 N HN 0.588 nan 8.380 nan 0.000 0.548 418 F N -1.517 118.523 119.950 0.150 0.000 3.067 418 F HA -0.249 4.672 4.527 0.657 0.000 0.279 418 F C -0.120 175.756 175.800 0.128 0.000 0.945 418 F CA -0.086 58.008 58.000 0.157 0.000 0.948 418 F CB -1.769 37.344 39.000 0.189 0.000 0.898 418 F HN 0.336 nan 8.300 nan 0.000 0.746 419 L N 0.851 122.193 121.223 0.198 0.000 2.597 419 L HA 0.320 5.079 4.340 0.698 0.000 0.271 419 L C 1.436 178.393 176.870 0.145 0.000 1.157 419 L CA 0.930 55.858 54.840 0.147 0.000 0.928 419 L CB -0.047 42.062 42.059 0.083 0.000 1.216 419 L HN 0.690 nan 8.230 nan 0.000 0.481 420 G N 3.577 112.469 108.800 0.154 0.000 2.179 420 G HA2 -0.238 4.141 3.960 0.698 0.000 0.220 420 G HA3 -0.238 4.141 3.960 0.698 0.000 0.220 420 G C 0.217 175.226 174.900 0.182 0.000 0.990 420 G CA -0.336 44.851 45.100 0.145 0.000 0.646 420 G HN 0.516 nan 8.290 nan 0.000 0.517 421 L N 0.471 121.837 121.223 0.238 0.000 3.168 421 L HA 0.409 5.168 4.340 0.698 0.000 0.277 421 L C 1.535 178.525 176.870 0.201 0.000 1.308 421 L CA -0.437 54.560 54.840 0.262 0.000 0.976 421 L CB 0.710 43.020 42.059 0.419 0.000 1.383 421 L HN 0.008 nan 8.230 nan 0.000 0.572 422 E N 0.392 120.683 120.200 0.152 0.000 2.160 422 E HA -0.214 4.555 4.350 0.698 0.000 0.195 422 E C 1.529 178.174 176.600 0.075 0.000 0.991 422 E CA 1.290 57.755 56.400 0.107 0.000 0.810 422 E CB -0.006 29.751 29.700 0.094 0.000 0.742 422 E HN 0.509 nan 8.360 nan 0.000 0.466 423 Q N -0.046 119.803 119.800 0.082 0.000 2.415 423 Q HA 0.084 4.842 4.340 0.698 0.000 0.206 423 Q C -0.039 175.994 176.000 0.054 0.000 0.946 423 Q CA -0.090 55.751 55.803 0.065 0.000 0.951 423 Q CB 0.106 28.887 28.738 0.072 0.000 1.026 423 Q HN 0.294 nan 8.270 nan 0.000 0.510 424 L N 1.838 123.088 121.223 0.044 0.000 2.534 424 L HA -0.072 4.686 4.340 0.698 0.000 0.271 424 L C 1.024 177.887 176.870 -0.012 0.000 1.178 424 L CA 0.554 55.402 54.840 0.014 0.000 0.907 424 L CB 0.483 42.524 42.059 -0.031 0.000 1.164 424 L HN 0.287 nan 8.230 nan 0.000 0.482 425 E N 1.808 122.020 120.200 0.020 0.000 2.290 425 E HA 0.043 4.812 4.350 0.698 0.000 0.197 425 E C 0.149 176.764 176.600 0.024 0.000 0.948 425 E CA 0.156 56.571 56.400 0.025 0.000 0.895 425 E CB 0.602 30.342 29.700 0.066 0.000 0.865 425 E HN 0.448 nan 8.360 nan 0.000 0.486 426 H N 0.478 119.480 119.070 -0.114 0.000 2.589 426 H HA 0.479 5.457 4.556 0.703 0.000 0.351 426 H C -1.745 173.381 175.328 -0.337 0.000 1.074 426 H CA -0.847 55.070 56.048 -0.219 0.000 1.203 426 H CB 1.621 31.151 29.762 -0.388 0.000 1.558 426 H HN -0.014 nan 8.280 nan 0.000 0.522 427 L N 5.616 126.654 121.223 -0.309 0.000 2.541 427 L HA 0.308 5.067 4.340 0.698 0.000 0.266 427 L C -1.707 174.957 176.870 -0.343 0.000 0.966 427 L CA -0.377 54.270 54.840 -0.321 0.000 0.871 427 L CB 1.676 43.543 42.059 -0.319 0.000 1.232 427 L HN 0.578 nan 8.230 nan 0.000 0.408 428 D N 4.131 124.343 120.400 -0.313 0.000 2.454 428 D HA 0.305 5.363 4.640 0.698 0.000 0.247 428 D C -0.117 176.069 176.300 -0.190 0.000 1.129 428 D CA -0.033 53.875 54.000 -0.154 0.000 0.877 428 D CB 0.508 41.346 40.800 0.062 0.000 1.082 428 D HN 0.500 nan 8.370 nan 0.000 0.537 429 F N 1.170 121.116 119.950 -0.006 0.000 2.693 429 F HA 0.135 4.666 4.527 0.006 0.000 0.303 429 F C 1.550 177.304 175.800 -0.077 0.000 1.097 429 F CA -0.496 57.486 58.000 -0.030 0.000 1.330 429 F CB 0.306 39.304 39.000 -0.003 0.000 1.067 429 F HN 0.272 nan 8.300 nan 0.000 0.565 430 Q N 1.370 121.214 119.800 0.072 0.000 2.549 430 Q HA -0.218 4.541 4.340 0.698 0.000 0.347 430 Q C 0.274 176.109 176.000 -0.276 0.000 1.081 430 Q CA 0.781 56.537 55.803 -0.078 0.000 1.093 430 Q CB -0.020 28.707 28.738 -0.019 0.000 1.067 430 Q HN 0.418 nan 8.270 nan 0.000 0.398 431 H N 0.855 119.714 119.070 -0.352 0.000 2.958 431 H HA -0.134 4.844 4.556 0.703 0.000 0.274 431 H C -1.011 174.141 175.328 -0.294 0.000 1.184 431 H CA 1.043 56.819 56.048 -0.454 0.000 1.143 431 H CB -1.339 27.850 29.762 -0.956 0.000 1.297 431 H HN 0.464 nan 8.280 nan 0.000 0.356 432 S N 1.010 116.644 115.700 -0.109 0.000 2.473 432 S HA 0.158 5.047 4.470 0.698 0.000 0.307 432 S C 0.349 174.909 174.600 -0.067 0.000 1.094 432 S CA -0.866 57.318 58.200 -0.027 0.000 1.070 432 S CB 2.082 65.307 63.200 0.042 0.000 1.019 432 S HN 0.320 nan 8.310 nan 0.000 0.480 433 N N 3.365 122.055 118.700 -0.017 0.000 2.429 433 N HA 0.064 5.223 4.740 0.698 0.000 0.271 433 N C -1.006 174.481 175.510 -0.039 0.000 1.272 433 N CA 0.327 53.390 53.050 0.021 0.000 0.921 433 N CB -0.080 38.479 38.487 0.119 0.000 1.128 433 N HN 0.561 nan 8.380 nan 0.000 0.481 434 L N 3.500 124.667 121.223 -0.093 0.000 2.322 434 L HA 0.424 5.182 4.340 0.698 0.000 0.279 434 L C 0.324 177.113 176.870 -0.134 0.000 1.036 434 L CA -0.552 54.177 54.840 -0.185 0.000 0.807 434 L CB 1.109 42.997 42.059 -0.285 0.000 1.226 434 L HN 0.358 nan 8.230 nan 0.000 0.433 435 K N 2.638 122.948 120.400 -0.151 0.000 2.426 435 K HA 0.423 5.162 4.320 0.698 0.000 0.251 435 K C -0.872 175.640 176.600 -0.147 0.000 0.941 435 K CA -0.724 55.493 56.287 -0.117 0.000 0.808 435 K CB 2.048 34.507 32.500 -0.068 0.000 1.265 435 K HN 0.539 nan 8.250 nan 0.000 0.432 436 Q N 1.312 121.030 119.800 -0.137 0.000 2.506 436 Q HA -0.217 4.542 4.340 0.698 0.000 0.268 436 Q C 0.735 176.560 176.000 -0.291 0.000 1.002 436 Q CA 0.428 56.141 55.803 -0.150 0.000 1.052 436 Q CB -1.308 27.392 28.738 -0.064 0.000 1.383 436 Q HN 0.685 nan 8.270 nan 0.000 0.537 437 M N -0.258 119.168 119.600 -0.291 0.000 2.086 437 M HA -0.064 4.834 4.480 0.698 0.000 0.261 437 M C 1.103 177.182 176.300 -0.368 0.000 1.067 437 M CA 1.755 56.836 55.300 -0.366 0.000 1.116 437 M CB -0.261 32.178 32.600 -0.269 0.000 1.348 437 M HN 0.123 nan 8.290 nan 0.000 0.407 438 S N 0.261 115.811 115.700 -0.250 0.000 2.738 438 S HA 0.180 5.069 4.470 0.698 0.000 0.227 438 S C 0.743 175.197 174.600 -0.243 0.000 1.311 438 S CA -0.178 57.922 58.200 -0.165 0.000 1.249 438 S CB 0.076 63.229 63.200 -0.078 0.000 1.030 438 S HN 0.348 nan 8.310 nan 0.000 0.512 439 E N 0.777 120.778 120.200 -0.332 0.000 2.606 439 E HA 0.332 5.101 4.350 0.698 0.000 0.224 439 E C -0.185 176.346 176.600 -0.115 0.000 0.930 439 E CA -0.187 56.087 56.400 -0.209 0.000 1.125 439 E CB 0.710 30.390 29.700 -0.033 0.000 1.123 439 E HN 0.612 nan 8.360 nan 0.000 0.522 440 F N -3.891 115.813 119.950 -0.410 0.000 3.441 440 F HA 0.323 5.277 4.527 0.712 0.000 0.328 440 F C -1.357 174.414 175.800 -0.048 0.000 1.037 440 F CA -1.328 56.479 58.000 -0.322 0.000 0.825 440 F CB 0.583 39.469 39.000 -0.190 0.000 1.585 440 F HN -0.399 nan 8.300 nan 0.000 0.450 441 S N 1.629 117.486 115.700 0.263 0.000 2.681 441 S HA 0.344 5.232 4.470 0.698 0.000 0.313 441 S C 1.183 175.798 174.600 0.025 0.000 1.137 441 S CA -0.170 58.123 58.200 0.155 0.000 1.045 441 S CB 0.534 63.896 63.200 0.270 0.000 1.208 441 S HN 1.059 nan 8.310 nan 0.000 0.523 442 V N 0.262 119.882 119.914 -0.491 0.000 2.594 442 V HA -0.057 4.482 4.120 0.698 0.000 0.253 442 V C 0.913 176.915 176.094 -0.152 0.000 1.069 442 V CA 1.536 63.535 62.300 -0.502 0.000 1.082 442 V CB -0.841 30.401 31.823 -0.967 0.000 0.680 442 V HN 0.691 nan 8.190 nan 0.000 0.469 443 F N -0.606 119.448 119.950 0.173 0.000 2.641 443 F HA 0.457 5.358 4.527 0.624 0.000 0.302 443 F C 1.573 177.437 175.800 0.107 0.000 1.098 443 F CA -0.585 57.483 58.000 0.115 0.000 1.318 443 F CB -0.304 38.730 39.000 0.058 0.000 1.035 443 F HN 0.075 nan 8.300 nan 0.000 0.551 444 L N -0.319 121.071 121.223 0.278 0.000 2.270 444 L HA -0.243 4.516 4.340 0.698 0.000 0.217 444 L C 2.082 179.062 176.870 0.183 0.000 1.107 444 L CA 1.675 56.647 54.840 0.219 0.000 0.772 444 L CB -0.610 41.577 42.059 0.212 0.000 0.902 444 L HN 0.046 nan 8.230 nan 0.000 0.439 445 S N -1.459 114.362 115.700 0.203 0.000 2.503 445 S HA 0.181 5.070 4.470 0.698 0.000 0.215 445 S C 0.696 175.359 174.600 0.106 0.000 1.003 445 S CA -0.318 57.979 58.200 0.162 0.000 0.910 445 S CB 0.054 63.381 63.200 0.212 0.000 0.790 445 S HN 0.077 nan 8.310 nan 0.000 0.514 446 L N 3.756 125.015 121.223 0.060 0.000 2.511 446 L HA 0.170 4.929 4.340 0.698 0.000 0.239 446 L C 1.510 178.380 176.870 -0.000 0.000 1.400 446 L CA 0.285 55.110 54.840 -0.024 0.000 1.226 446 L CB -1.055 40.912 42.059 -0.153 0.000 1.475 446 L HN 0.289 nan 8.230 nan 0.000 0.428 447 R N -1.358 119.158 120.500 0.028 0.000 2.237 447 R HA -0.018 4.740 4.340 0.698 0.000 0.219 447 R C 0.822 177.128 176.300 0.010 0.000 1.080 447 R CA 0.966 57.082 56.100 0.027 0.000 0.995 447 R CB -0.138 30.186 30.300 0.040 0.000 0.875 447 R HN 0.293 nan 8.270 nan 0.000 0.462 448 N N 0.400 119.101 118.700 0.002 0.000 2.205 448 N HA 0.056 5.215 4.740 0.698 0.000 0.201 448 N C -0.338 175.158 175.510 -0.023 0.000 1.128 448 N CA -0.312 52.737 53.050 -0.002 0.000 0.867 448 N CB 0.387 38.883 38.487 0.014 0.000 0.996 448 N HN 0.104 nan 8.380 nan 0.000 0.503 449 L N 1.590 122.779 121.223 -0.056 0.000 2.559 449 L HA 0.053 4.812 4.340 0.698 0.000 0.274 449 L C 1.052 177.869 176.870 -0.088 0.000 1.205 449 L CA 0.567 55.349 54.840 -0.097 0.000 0.907 449 L CB 0.298 42.252 42.059 -0.176 0.000 1.153 449 L HN 0.035 nan 8.230 nan 0.000 0.490 450 I N 4.444 124.976 120.570 -0.064 0.000 3.445 450 I HA 0.064 4.652 4.170 0.698 0.000 0.288 450 I C -0.396 175.688 176.117 -0.055 0.000 1.198 450 I CA -0.079 61.196 61.300 -0.043 0.000 1.417 450 I CB 0.194 38.197 38.000 0.006 0.000 1.205 450 I HN 0.538 nan 8.210 nan 0.000 0.448 451 Y N 1.634 121.785 120.300 -0.248 0.000 2.393 451 Y HA 0.665 5.630 4.550 0.692 0.000 0.341 451 Y C -1.181 174.453 175.900 -0.444 0.000 0.988 451 Y CA -1.243 56.640 58.100 -0.362 0.000 1.078 451 Y CB 1.749 39.913 38.460 -0.493 0.000 1.203 451 Y HN -0.093 nan 8.280 nan 0.000 0.453 452 L N 6.666 127.388 121.223 -0.834 0.000 2.580 452 L HA 0.417 5.175 4.340 0.698 0.000 0.266 452 L C -2.230 174.260 176.870 -0.633 0.000 0.955 452 L CA -0.315 54.156 54.840 -0.616 0.000 0.886 452 L CB 1.659 43.417 42.059 -0.502 0.000 1.263 452 L HN 0.715 nan 8.230 nan 0.000 0.406 453 D N 5.482 125.620 120.400 -0.438 0.000 2.425 453 D HA 0.453 5.512 4.640 0.698 0.000 0.240 453 D C -0.020 176.251 176.300 -0.049 0.000 1.080 453 D CA -0.220 53.629 54.000 -0.251 0.000 0.836 453 D CB 1.299 42.019 40.800 -0.133 0.000 1.125 453 D HN 0.633 nan 8.370 nan 0.000 0.525 454 I N 0.425 120.989 120.570 -0.011 0.000 3.241 454 I HA 0.335 4.924 4.170 0.698 0.000 0.333 454 I C -0.365 175.741 176.117 -0.019 0.000 1.534 454 I CA -0.673 60.666 61.300 0.066 0.000 0.979 454 I CB 0.547 38.631 38.000 0.140 0.000 1.497 454 I HN -0.068 nan 8.210 nan 0.000 0.530 455 S N 1.634 117.310 115.700 -0.040 0.000 2.549 455 S HA 0.163 5.051 4.470 0.698 0.000 0.283 455 S C 0.610 175.127 174.600 -0.138 0.000 1.320 455 S CA 0.112 58.267 58.200 -0.075 0.000 1.058 455 S CB -0.189 63.057 63.200 0.077 0.000 0.882 455 S HN 0.594 nan 8.310 nan 0.000 0.498 456 H N -0.108 118.784 119.070 -0.296 0.000 2.655 456 H HA -0.139 4.826 4.556 0.682 0.000 0.313 456 H C 0.897 175.926 175.328 -0.497 0.000 1.141 456 H CA 1.006 56.791 56.048 -0.439 0.000 1.138 456 H CB -2.299 27.013 29.762 -0.751 0.000 1.446 456 H HN 0.810 nan 8.280 nan 0.000 0.415 457 T N -4.129 110.277 114.554 -0.247 0.000 3.186 457 T HA 0.165 4.934 4.350 0.698 0.000 0.257 457 T C 0.443 175.064 174.700 -0.132 0.000 1.029 457 T CA 0.106 62.076 62.100 -0.216 0.000 0.916 457 T CB -0.189 68.607 68.868 -0.121 0.000 1.041 457 T HN 0.737 nan 8.240 nan 0.000 0.562 458 H N 0.530 119.546 119.070 -0.089 0.000 2.791 458 H HA -0.138 4.845 4.556 0.711 0.000 0.302 458 H C -0.325 174.939 175.328 -0.107 0.000 1.198 458 H CA 0.353 56.352 56.048 -0.082 0.000 1.145 458 H CB -2.108 27.621 29.762 -0.055 0.000 1.385 458 H HN 0.409 nan 8.280 nan 0.000 0.409 459 T N 0.543 115.077 114.554 -0.034 0.000 2.899 459 T HA 0.330 5.099 4.350 0.698 0.000 0.295 459 T C 0.875 175.490 174.700 -0.141 0.000 1.033 459 T CA -0.435 61.601 62.100 -0.107 0.000 1.084 459 T CB 1.395 70.175 68.868 -0.147 0.000 0.979 459 T HN 0.316 nan 8.240 nan 0.000 0.532 460 R N 2.098 122.501 120.500 -0.162 0.000 2.629 460 R HA 0.368 5.127 4.340 0.698 0.000 0.275 460 R C -1.336 174.850 176.300 -0.190 0.000 1.719 460 R CA -0.411 55.593 56.100 -0.159 0.000 1.472 460 R CB -0.396 29.850 30.300 -0.090 0.000 1.237 460 R HN 0.450 nan 8.270 nan 0.000 0.589 461 V N 2.474 122.188 119.914 -0.334 0.000 2.584 461 V HA 0.250 4.789 4.120 0.698 0.000 0.303 461 V C 0.978 177.025 176.094 -0.077 0.000 1.035 461 V CA 1.023 63.155 62.300 -0.280 0.000 1.172 461 V CB 0.774 32.303 31.823 -0.492 0.000 0.896 461 V HN 0.811 nan 8.190 nan 0.000 0.486 462 A N 5.335 128.144 122.820 -0.019 0.000 2.602 462 A HA 0.589 5.327 4.320 0.698 0.000 0.238 462 A C -0.618 177.054 177.584 0.147 0.000 0.863 462 A CA -0.172 51.898 52.037 0.056 0.000 1.148 462 A CB 0.285 19.299 19.000 0.024 0.000 1.227 462 A HN 0.849 nan 8.150 nan 0.000 0.460 463 F N 0.281 120.181 119.950 -0.083 0.000 2.722 463 F HA 0.407 5.348 4.527 0.690 0.000 0.336 463 F C -0.334 175.412 175.800 -0.090 0.000 1.216 463 F CA -1.234 56.717 58.000 -0.083 0.000 1.065 463 F CB 0.978 39.909 39.000 -0.114 0.000 1.325 463 F HN 0.012 nan 8.300 nan 0.000 0.524 464 N N 2.744 121.175 118.700 -0.448 0.000 2.627 464 N HA 0.142 5.300 4.740 0.698 0.000 0.196 464 N C 1.354 176.445 175.510 -0.698 0.000 1.268 464 N CA 0.993 53.774 53.050 -0.449 0.000 0.904 464 N CB 0.285 38.627 38.487 -0.241 0.000 1.016 464 N HN 0.746 nan 8.380 nan 0.000 0.448 465 G N -0.827 107.128 108.800 -1.409 0.000 3.596 465 G HA2 0.063 4.441 3.960 0.698 0.000 0.274 465 G HA3 0.063 4.441 3.960 0.698 0.000 0.274 465 G C 1.098 175.727 174.900 -0.451 0.000 1.007 465 G CA -0.382 44.111 45.100 -1.012 0.000 0.825 465 G HN 0.325 nan 8.290 nan 0.000 0.508 466 I N -0.769 119.547 120.570 -0.425 0.000 2.315 466 I HA -0.070 4.519 4.170 0.698 0.000 0.251 466 I C 1.200 177.104 176.117 -0.356 0.000 1.125 466 I CA 1.348 62.438 61.300 -0.350 0.000 1.392 466 I CB 0.099 37.725 38.000 -0.623 0.000 1.065 466 I HN 0.228 nan 8.210 nan 0.000 0.424 467 F N 0.304 120.275 119.950 0.034 0.000 2.654 467 F HA 0.266 5.189 4.527 0.660 0.000 0.303 467 F C 0.585 176.431 175.800 0.076 0.000 1.099 467 F CA -0.662 57.397 58.000 0.098 0.000 1.270 467 F CB -0.255 38.761 39.000 0.027 0.000 1.024 467 F HN -0.085 nan 8.300 nan 0.000 0.548 468 N N 1.106 119.914 118.700 0.180 0.000 2.447 468 N HA 0.261 5.419 4.740 0.698 0.000 0.263 468 N C 1.052 176.662 175.510 0.167 0.000 1.226 468 N CA 0.928 54.059 53.050 0.136 0.000 0.906 468 N CB 0.674 39.213 38.487 0.087 0.000 1.060 468 N HN 0.497 nan 8.380 nan 0.000 0.468 469 G N 1.841 110.719 108.800 0.130 0.000 2.352 469 G HA2 -0.227 4.152 3.960 0.698 0.000 0.204 469 G HA3 -0.227 4.152 3.960 0.698 0.000 0.204 469 G C 0.322 175.273 174.900 0.086 0.000 1.004 469 G CA -0.610 44.560 45.100 0.117 0.000 0.648 469 G HN 0.469 nan 8.290 nan 0.000 0.491 470 L N 3.251 124.528 121.223 0.091 0.000 2.650 470 L HA 0.237 4.996 4.340 0.698 0.000 0.239 470 L C 1.935 178.807 176.870 0.003 0.000 1.412 470 L CA 0.178 55.030 54.840 0.021 0.000 1.219 470 L CB -0.186 41.867 42.059 -0.010 0.000 1.534 470 L HN 0.256 nan 8.230 nan 0.000 0.430 471 S N -0.200 115.507 115.700 0.013 0.000 2.349 471 S HA -0.177 4.712 4.470 0.698 0.000 0.216 471 S C 1.986 176.581 174.600 -0.010 0.000 1.033 471 S CA 1.679 59.884 58.200 0.009 0.000 1.021 471 S CB -0.121 63.090 63.200 0.017 0.000 0.968 471 S HN 0.599 nan 8.310 nan 0.000 0.426 472 S N 1.485 117.177 115.700 -0.013 0.000 2.465 472 S HA 0.007 4.896 4.470 0.698 0.000 0.241 472 S C 0.617 175.193 174.600 -0.040 0.000 1.000 472 S CA 0.037 58.225 58.200 -0.020 0.000 0.964 472 S CB -0.632 62.560 63.200 -0.013 0.000 0.763 472 S HN 0.296 nan 8.310 nan 0.000 0.512 473 L N 2.310 123.494 121.223 -0.064 0.000 2.653 473 L HA -0.095 4.663 4.340 0.698 0.000 0.288 473 L C 0.946 177.762 176.870 -0.090 0.000 1.243 473 L CA 1.048 55.825 54.840 -0.105 0.000 0.906 473 L CB 0.233 42.201 42.059 -0.151 0.000 1.154 473 L HN 0.126 nan 8.230 nan 0.000 0.498 474 E N 2.472 122.618 120.200 -0.089 0.000 2.441 474 E HA 0.196 4.965 4.350 0.698 0.000 0.212 474 E C -0.633 175.928 176.600 -0.066 0.000 0.840 474 E CA -0.027 56.337 56.400 -0.060 0.000 1.143 474 E CB 0.804 30.490 29.700 -0.024 0.000 1.153 474 E HN 0.438 nan 8.360 nan 0.000 0.539 475 V N 1.932 121.767 119.914 -0.131 0.000 2.864 475 V HA 0.409 4.948 4.120 0.698 0.000 0.314 475 V C -0.967 174.932 176.094 -0.326 0.000 1.073 475 V CA -0.873 61.315 62.300 -0.186 0.000 0.956 475 V CB 2.715 34.379 31.823 -0.264 0.000 1.023 475 V HN 0.083 nan 8.190 nan 0.000 0.435 476 L N 3.888 124.950 121.223 -0.268 0.000 2.680 476 L HA 0.482 5.241 4.340 0.698 0.000 0.260 476 L C -1.010 175.744 176.870 -0.193 0.000 0.975 476 L CA -0.238 54.416 54.840 -0.309 0.000 0.920 476 L CB 1.549 43.419 42.059 -0.314 0.000 1.234 476 L HN 0.723 nan 8.230 nan 0.000 0.429 477 K N 6.656 126.911 120.400 -0.242 0.000 2.299 477 K HA 0.451 5.189 4.320 0.698 0.000 0.268 477 K C 0.421 176.983 176.600 -0.064 0.000 1.075 477 K CA -0.281 55.941 56.287 -0.109 0.000 0.936 477 K CB 1.108 33.532 32.500 -0.127 0.000 1.228 477 K HN 0.684 nan 8.250 nan 0.000 0.454 478 M N 0.194 119.790 119.600 -0.006 0.000 2.963 478 M HA 0.385 5.284 4.480 0.698 0.000 0.350 478 M C -0.191 176.100 176.300 -0.015 0.000 1.253 478 M CA -0.597 54.716 55.300 0.021 0.000 0.856 478 M CB 0.886 33.569 32.600 0.138 0.000 1.356 478 M HN 0.304 nan 8.290 nan 0.000 0.510 479 A N 0.721 123.501 122.820 -0.068 0.000 2.346 479 A HA 0.620 5.359 4.320 0.698 0.000 0.255 479 A C 1.511 178.834 177.584 -0.435 0.000 1.113 479 A CA 0.615 52.563 52.037 -0.148 0.000 0.798 479 A CB -0.653 18.299 19.000 -0.080 0.000 1.073 479 A HN 1.402 nan 8.150 nan 0.000 0.502 480 G N -0.566 107.917 108.800 -0.529 0.000 2.205 480 G HA2 -0.303 4.076 3.960 0.698 0.000 0.269 480 G HA3 -0.303 4.076 3.960 0.698 0.000 0.269 480 G C 0.504 175.218 174.900 -0.308 0.000 0.977 480 G CA 0.914 45.605 45.100 -0.682 0.000 0.652 480 G HN 0.772 nan 8.290 nan 0.000 0.539 481 N N 0.143 118.730 118.700 -0.188 0.000 2.605 481 N HA 0.648 5.806 4.740 0.698 0.000 0.277 481 N C 0.678 176.165 175.510 -0.038 0.000 1.355 481 N CA 0.782 53.766 53.050 -0.110 0.000 0.849 481 N CB 0.492 38.883 38.487 -0.161 0.000 1.111 481 N HN 1.059 nan 8.380 nan 0.000 0.441 482 S N -1.236 114.407 115.700 -0.095 0.000 2.611 482 S HA 0.612 5.500 4.470 0.698 0.000 0.270 482 S C -1.876 172.641 174.600 -0.138 0.000 1.131 482 S CA -0.874 57.341 58.200 0.025 0.000 0.826 482 S CB 0.275 63.493 63.200 0.031 0.000 1.095 482 S HN 0.203 nan 8.310 nan 0.000 0.461 483 F N 1.182 121.151 119.950 0.032 0.000 2.593 483 F HA 0.583 5.535 4.527 0.709 0.000 0.320 483 F C 0.412 176.236 175.800 0.041 0.000 1.060 483 F CA -0.701 57.321 58.000 0.037 0.000 0.940 483 F CB 1.864 40.892 39.000 0.047 0.000 1.268 483 F HN 0.823 nan 8.300 nan 0.000 0.475 484 Q N 1.418 121.357 119.800 0.233 0.000 2.271 484 Q HA 0.102 4.860 4.340 0.698 0.000 0.273 484 Q C 0.110 176.214 176.000 0.173 0.000 1.051 484 Q CA 0.442 56.333 55.803 0.148 0.000 0.901 484 Q CB 0.446 29.251 28.738 0.113 0.000 1.174 484 Q HN 0.686 nan 8.270 nan 0.000 0.385 485 E N 3.274 123.543 120.200 0.115 0.000 3.916 485 E HA -0.352 4.417 4.350 0.698 0.000 0.331 485 E C -0.555 176.120 176.600 0.125 0.000 0.729 485 E CA 1.512 57.970 56.400 0.097 0.000 1.222 485 E CB -1.684 28.060 29.700 0.074 0.000 1.633 485 E HN 1.111 nan 8.360 nan 0.000 0.437 486 N N -1.873 116.923 118.700 0.159 0.000 2.800 486 N HA -0.274 4.885 4.740 0.698 0.000 0.250 486 N C -0.469 175.083 175.510 0.071 0.000 1.078 486 N CA 0.686 53.808 53.050 0.119 0.000 0.804 486 N CB -1.241 37.281 38.487 0.059 0.000 1.135 486 N HN 0.322 nan 8.380 nan 0.000 0.565 487 F N 1.628 121.553 119.950 -0.042 0.000 2.427 487 F HA 0.520 5.466 4.527 0.699 0.000 0.346 487 F C -0.193 175.508 175.800 -0.166 0.000 1.120 487 F CA -1.116 56.823 58.000 -0.102 0.000 1.033 487 F CB 0.836 39.799 39.000 -0.061 0.000 1.126 487 F HN -0.062 nan 8.300 nan 0.000 0.462 488 L N 9.698 130.365 121.223 -0.926 0.000 2.295 488 L HA 0.521 5.279 4.340 0.698 0.000 0.288 488 L C -2.530 173.795 176.870 -0.909 0.000 1.079 488 L CA -2.017 52.287 54.840 -0.892 0.000 0.830 488 L CB -0.155 41.491 42.059 -0.689 0.000 1.200 488 L HN 0.446 nan 8.230 nan 0.000 0.438 489 P HA 0.086 nan 4.420 nan 0.000 0.286 489 P C -0.847 176.328 177.300 -0.208 0.000 1.293 489 P CA -0.284 62.723 63.100 -0.156 0.000 0.770 489 P CB 0.499 32.244 31.700 0.074 0.000 1.206 490 D N 0.849 121.180 120.400 -0.114 0.000 2.713 490 D HA 0.102 5.161 4.640 0.698 0.000 0.229 490 D C 0.899 177.096 176.300 -0.171 0.000 1.136 490 D CA 0.272 54.199 54.000 -0.122 0.000 1.010 490 D CB -0.249 40.517 40.800 -0.057 0.000 1.084 490 D HN 0.312 nan 8.370 nan 0.000 0.495 491 I N -3.121 117.232 120.570 -0.361 0.000 3.956 491 I HA 0.130 4.718 4.170 0.698 0.000 0.333 491 I C 0.544 176.455 176.117 -0.344 0.000 1.302 491 I CA -0.105 60.968 61.300 -0.377 0.000 1.122 491 I CB -0.074 37.688 38.000 -0.397 0.000 1.013 491 I HN -0.129 nan 8.210 nan 0.000 0.405 492 F N 1.774 121.772 119.950 0.079 0.000 2.695 492 F HA 0.130 5.069 4.527 0.686 0.000 0.303 492 F C 2.465 178.273 175.800 0.013 0.000 1.091 492 F CA 0.459 58.480 58.000 0.036 0.000 1.300 492 F CB -0.630 38.393 39.000 0.038 0.000 1.071 492 F HN 0.084 nan 8.300 nan 0.000 0.578 493 T N -2.559 112.068 114.554 0.121 0.000 2.996 493 T HA -0.218 4.551 4.350 0.698 0.000 0.271 493 T C 1.516 176.251 174.700 0.058 0.000 1.126 493 T CA 1.655 63.798 62.100 0.071 0.000 1.103 493 T CB -0.185 68.697 68.868 0.024 0.000 0.870 493 T HN 0.481 nan 8.240 nan 0.000 0.528 494 E N 0.041 120.282 120.200 0.068 0.000 2.465 494 E HA 0.233 5.002 4.350 0.698 0.000 0.209 494 E C 0.244 176.873 176.600 0.048 0.000 0.951 494 E CA -0.228 56.204 56.400 0.053 0.000 0.997 494 E CB 0.283 30.017 29.700 0.055 0.000 1.025 494 E HN 0.523 nan 8.360 nan 0.000 0.500 495 L N 2.597 123.857 121.223 0.062 0.000 2.415 495 L HA 0.191 4.949 4.340 0.698 0.000 0.269 495 L C 1.458 178.334 176.870 0.010 0.000 1.244 495 L CA -0.393 54.462 54.840 0.025 0.000 1.113 495 L CB -0.090 41.980 42.059 0.019 0.000 1.352 495 L HN 0.014 nan 8.230 nan 0.000 0.433 496 R N 1.841 122.344 120.500 0.006 0.000 2.070 496 R HA -0.083 4.676 4.340 0.698 0.000 0.227 496 R C 1.358 177.649 176.300 -0.015 0.000 1.147 496 R CA 1.443 57.543 56.100 0.000 0.000 0.924 496 R CB -0.412 29.891 30.300 0.005 0.000 0.827 496 R HN 0.542 nan 8.270 nan 0.000 0.431 497 N N 1.210 119.900 118.700 -0.017 0.000 2.635 497 N HA -0.082 5.076 4.740 0.698 0.000 0.191 497 N C 0.310 175.799 175.510 -0.035 0.000 1.155 497 N CA 0.093 53.130 53.050 -0.021 0.000 0.927 497 N CB -0.157 38.321 38.487 -0.016 0.000 0.976 497 N HN 0.099 nan 8.380 nan 0.000 0.448 498 L N 1.886 123.078 121.223 -0.051 0.000 2.780 498 L HA -0.078 4.681 4.340 0.698 0.000 0.275 498 L C 1.298 178.122 176.870 -0.076 0.000 1.153 498 L CA 1.080 55.873 54.840 -0.079 0.000 0.993 498 L CB -0.077 41.918 42.059 -0.108 0.000 1.319 498 L HN 0.312 nan 8.230 nan 0.000 0.479 499 T N 2.274 116.801 114.554 -0.045 0.000 2.990 499 T HA 0.106 4.875 4.350 0.698 0.000 0.250 499 T C 0.201 174.901 174.700 0.001 0.000 1.041 499 T CA -0.147 61.937 62.100 -0.026 0.000 1.010 499 T CB 0.160 69.035 68.868 0.012 0.000 1.003 499 T HN 0.294 nan 8.240 nan 0.000 0.499 500 F N 0.743 120.595 119.950 -0.163 0.000 2.576 500 F HA 0.704 5.649 4.527 0.696 0.000 0.313 500 F C -1.896 173.762 175.800 -0.237 0.000 1.078 500 F CA -1.649 56.244 58.000 -0.179 0.000 0.921 500 F CB 2.341 41.258 39.000 -0.139 0.000 1.232 500 F HN 0.044 nan 8.300 nan 0.000 0.459 501 L N 5.554 126.578 121.223 -0.331 0.000 2.727 501 L HA 0.323 5.082 4.340 0.698 0.000 0.255 501 L C -1.828 174.872 176.870 -0.283 0.000 0.983 501 L CA -0.319 54.368 54.840 -0.255 0.000 0.945 501 L CB 0.759 42.562 42.059 -0.428 0.000 1.242 501 L HN 0.584 nan 8.230 nan 0.000 0.449 502 D N 4.062 124.436 120.400 -0.044 0.000 2.304 502 D HA 0.416 5.475 4.640 0.698 0.000 0.250 502 D C -0.049 176.230 176.300 -0.035 0.000 1.107 502 D CA 0.181 54.166 54.000 -0.025 0.000 0.885 502 D CB 1.498 42.375 40.800 0.128 0.000 1.192 502 D HN 0.732 nan 8.370 nan 0.000 0.436 503 L N 2.520 123.718 121.223 -0.041 0.000 3.524 503 L HA 0.059 4.818 4.340 0.698 0.000 0.337 503 L C 0.442 177.337 176.870 0.041 0.000 1.330 503 L CA -0.219 54.648 54.840 0.044 0.000 0.966 503 L CB 0.426 42.512 42.059 0.045 0.000 1.395 503 L HN 0.317 nan 8.230 nan 0.000 0.616 504 S N -1.344 114.359 115.700 0.005 0.000 2.634 504 S HA 0.230 5.119 4.470 0.698 0.000 0.261 504 S C 0.735 175.342 174.600 0.013 0.000 1.271 504 S CA -0.290 57.918 58.200 0.013 0.000 0.985 504 S CB 0.936 64.147 63.200 0.018 0.000 0.968 504 S HN 0.422 nan 8.310 nan 0.000 0.568 505 Q N -1.862 117.944 119.800 0.009 0.000 2.401 505 Q HA -0.226 4.533 4.340 0.698 0.000 0.244 505 Q C 0.329 176.322 176.000 -0.012 0.000 0.941 505 Q CA 0.926 56.691 55.803 -0.063 0.000 1.179 505 Q CB -2.724 25.938 28.738 -0.127 0.000 1.665 505 Q HN 0.713 nan 8.270 nan 0.000 0.547 506 C N 0.372 119.722 119.300 0.084 0.000 2.480 506 C HA 0.068 4.947 4.460 0.698 0.000 0.317 506 C C 1.154 176.261 174.990 0.196 0.000 1.300 506 C CA 0.177 59.298 59.018 0.171 0.000 1.706 506 C CB -0.968 26.990 27.740 0.363 0.000 1.840 506 C HN 0.562 nan 8.230 nan 0.000 0.596 507 Q N -0.571 119.310 119.800 0.135 0.000 2.426 507 Q HA -0.230 4.529 4.340 0.698 0.000 0.254 507 Q C -0.061 176.005 176.000 0.109 0.000 1.017 507 Q CA 0.475 56.355 55.803 0.129 0.000 1.083 507 Q CB -1.307 27.496 28.738 0.108 0.000 1.552 507 Q HN 0.713 nan 8.270 nan 0.000 0.532 508 L N 0.393 121.683 121.223 0.112 0.000 2.490 508 L HA -0.063 4.696 4.340 0.698 0.000 0.274 508 L C 1.440 178.099 176.870 -0.350 0.000 1.201 508 L CA 0.930 55.740 54.840 -0.050 0.000 0.869 508 L CB 0.481 42.586 42.059 0.077 0.000 1.123 508 L HN 0.254 nan 8.230 nan 0.000 0.484 509 E N 0.825 120.746 120.200 -0.465 0.000 2.756 509 E HA 0.059 4.827 4.350 0.698 0.000 0.192 509 E C 0.126 176.339 176.600 -0.644 0.000 1.022 509 E CA -0.361 55.725 56.400 -0.523 0.000 1.224 509 E CB 0.397 30.003 29.700 -0.156 0.000 1.252 509 E HN 0.547 nan 8.360 nan 0.000 0.494 510 Q N 0.450 120.072 119.800 -0.296 0.000 2.177 510 Q HA 0.535 5.294 4.340 0.698 0.000 0.183 510 Q C -0.386 175.504 176.000 -0.183 0.000 1.040 510 Q CA -0.189 55.549 55.803 -0.109 0.000 1.089 510 Q CB 1.049 29.898 28.738 0.186 0.000 1.130 510 Q HN 0.143 nan 8.270 nan 0.000 0.575 511 L N -0.418 120.745 121.223 -0.100 0.000 2.666 511 L HA 0.203 4.962 4.340 0.698 0.000 0.259 511 L C -1.009 175.684 176.870 -0.294 0.000 0.919 511 L CA -0.321 54.360 54.840 -0.265 0.000 0.927 511 L CB 2.133 44.235 42.059 0.071 0.000 1.423 511 L HN 0.623 nan 8.230 nan 0.000 0.426 512 S N 5.210 120.539 115.700 -0.617 0.000 2.505 512 S HA 0.353 5.242 4.470 0.698 0.000 0.276 512 S C -1.380 173.078 174.600 -0.236 0.000 1.274 512 S CA -0.968 57.065 58.200 -0.279 0.000 1.053 512 S CB 0.982 63.995 63.200 -0.311 0.000 0.919 512 S HN 0.593 nan 8.310 nan 0.000 0.490 513 P HA -0.022 nan 4.420 nan 0.000 0.223 513 P C 0.749 177.918 177.300 -0.219 0.000 1.151 513 P CA 0.961 64.014 63.100 -0.078 0.000 0.787 513 P CB -0.188 31.635 31.700 0.205 0.000 0.788 514 T N -1.395 113.064 114.554 -0.159 0.000 3.081 514 T HA 0.325 5.094 4.350 0.698 0.000 0.250 514 T C 1.804 176.384 174.700 -0.200 0.000 1.100 514 T CA 0.452 62.457 62.100 -0.158 0.000 1.038 514 T CB -0.185 68.645 68.868 -0.062 0.000 0.962 514 T HN 0.040 nan 8.240 nan 0.000 0.516 515 A N 2.557 125.178 122.820 -0.331 0.000 1.953 515 A HA -0.142 4.597 4.320 0.698 0.000 0.212 515 A C 1.679 179.161 177.584 -0.170 0.000 1.250 515 A CA 1.704 53.523 52.037 -0.365 0.000 0.726 515 A CB -1.372 17.117 19.000 -0.851 0.000 0.837 515 A HN 0.562 nan 8.150 nan 0.000 0.481 516 F N 0.497 120.394 119.950 -0.088 0.000 2.583 516 F HA -0.122 4.822 4.527 0.694 0.000 0.297 516 F C 1.863 177.595 175.800 -0.114 0.000 1.131 516 F CA 0.723 58.645 58.000 -0.129 0.000 1.467 516 F CB -0.830 38.039 39.000 -0.217 0.000 1.097 516 F HN 0.352 nan 8.300 nan 0.000 0.586 517 N N 0.281 118.974 118.700 -0.010 0.000 2.580 517 N HA -0.181 4.978 4.740 0.698 0.000 0.193 517 N C 1.384 176.889 175.510 -0.008 0.000 1.075 517 N CA 1.135 54.157 53.050 -0.046 0.000 0.921 517 N CB -0.167 38.258 38.487 -0.102 0.000 0.950 517 N HN 0.321 nan 8.380 nan 0.000 0.449 518 S N -0.611 115.105 115.700 0.026 0.000 2.578 518 S HA 0.187 5.076 4.470 0.698 0.000 0.228 518 S C 0.533 175.146 174.600 0.022 0.000 1.022 518 S CA -0.426 57.789 58.200 0.024 0.000 0.967 518 S CB 0.169 63.389 63.200 0.034 0.000 0.914 518 S HN 0.104 nan 8.310 nan 0.000 0.515 519 L N 3.790 125.028 121.223 0.025 0.000 2.391 519 L HA 0.283 5.042 4.340 0.698 0.000 0.249 519 L C 1.602 178.459 176.870 -0.023 0.000 1.308 519 L CA -0.383 54.450 54.840 -0.011 0.000 1.209 519 L CB -0.483 41.549 42.059 -0.045 0.000 1.401 519 L HN 0.363 nan 8.230 nan 0.000 0.416 520 S N -1.308 114.384 115.700 -0.013 0.000 2.368 520 S HA -0.150 4.738 4.470 0.698 0.000 0.224 520 S C 1.812 176.399 174.600 -0.021 0.000 1.029 520 S CA 1.137 59.330 58.200 -0.011 0.000 0.988 520 S CB -0.097 63.101 63.200 -0.003 0.000 0.838 520 S HN 0.527 nan 8.310 nan 0.000 0.462 521 S N 1.313 116.997 115.700 -0.027 0.000 2.562 521 S HA 0.286 5.174 4.470 0.698 0.000 0.221 521 S C 0.440 175.009 174.600 -0.052 0.000 0.975 521 S CA -0.299 57.882 58.200 -0.031 0.000 0.918 521 S CB -0.540 62.646 63.200 -0.024 0.000 0.772 521 S HN 0.438 nan 8.310 nan 0.000 0.531 522 L N 2.549 123.725 121.223 -0.079 0.000 2.601 522 L HA -0.039 4.719 4.340 0.698 0.000 0.277 522 L C 0.946 177.740 176.870 -0.126 0.000 1.219 522 L CA 0.961 55.724 54.840 -0.129 0.000 0.915 522 L CB 0.392 42.339 42.059 -0.186 0.000 1.160 522 L HN 0.173 nan 8.230 nan 0.000 0.494 523 Q N 3.036 122.754 119.800 -0.137 0.000 2.581 523 Q HA 0.234 4.993 4.340 0.698 0.000 0.222 523 Q C -0.255 175.622 176.000 -0.205 0.000 0.904 523 Q CA 0.118 55.845 55.803 -0.126 0.000 0.923 523 Q CB 0.401 29.097 28.738 -0.069 0.000 1.117 523 Q HN 0.546 nan 8.270 nan 0.000 0.618 524 V N 1.381 121.108 119.914 -0.313 0.000 2.834 524 V HA 0.441 4.979 4.120 0.698 0.000 0.313 524 V C -0.779 174.956 176.094 -0.597 0.000 1.060 524 V CA -0.805 61.202 62.300 -0.488 0.000 0.989 524 V CB 1.996 33.369 31.823 -0.750 0.000 1.041 524 V HN 0.214 nan 8.190 nan 0.000 0.459 525 L N 3.061 123.943 121.223 -0.568 0.000 2.727 525 L HA 0.451 5.209 4.340 0.698 0.000 0.255 525 L C -0.914 175.684 176.870 -0.454 0.000 0.983 525 L CA -0.172 54.340 54.840 -0.546 0.000 0.945 525 L CB 1.104 42.849 42.059 -0.523 0.000 1.242 525 L HN 0.680 nan 8.230 nan 0.000 0.449 526 N N 5.333 123.775 118.700 -0.430 0.000 2.488 526 N HA 0.443 5.602 4.740 0.698 0.000 0.274 526 N C -0.106 175.229 175.510 -0.292 0.000 1.111 526 N CA 0.023 52.892 53.050 -0.301 0.000 0.974 526 N CB 0.987 39.356 38.487 -0.197 0.000 1.089 526 N HN 0.667 nan 8.380 nan 0.000 0.465 527 M N 0.961 120.355 119.600 -0.343 0.000 2.821 527 M HA 0.052 4.951 4.480 0.698 0.000 0.432 527 M C 0.489 176.584 176.300 -0.342 0.000 1.291 527 M CA -0.331 54.715 55.300 -0.422 0.000 0.838 527 M CB -0.787 31.289 32.600 -0.874 0.000 1.505 527 M HN 0.394 nan 8.290 nan 0.000 0.523 528 S N 0.147 115.737 115.700 -0.183 0.000 2.612 528 S HA 0.032 4.921 4.470 0.698 0.000 0.253 528 S C 0.785 175.416 174.600 0.052 0.000 1.346 528 S CA 0.637 58.797 58.200 -0.068 0.000 0.976 528 S CB 0.070 63.261 63.200 -0.015 0.000 0.949 528 S HN 0.691 nan 8.310 nan 0.000 0.584 529 H N 0.648 119.692 119.070 -0.043 0.000 2.112 529 H HA -0.195 4.782 4.556 0.701 0.000 0.334 529 H C 0.331 175.675 175.328 0.026 0.000 0.932 529 H CA 0.448 56.485 56.048 -0.018 0.000 1.100 529 H CB -1.059 28.708 29.762 0.009 0.000 1.557 529 H HN 0.363 nan 8.280 nan 0.000 0.358 530 N N 0.018 118.848 118.700 0.216 0.000 2.752 530 N HA 0.187 5.345 4.740 0.698 0.000 0.316 530 N C 0.222 175.903 175.510 0.284 0.000 1.343 530 N CA -0.446 52.758 53.050 0.256 0.000 0.875 530 N CB 0.570 39.283 38.487 0.377 0.000 1.120 530 N HN 0.342 nan 8.380 nan 0.000 0.562 531 N N 0.119 119.008 118.700 0.316 0.000 2.599 531 N HA 0.230 5.389 4.740 0.698 0.000 0.309 531 N C -1.242 174.436 175.510 0.280 0.000 1.743 531 N CA -0.142 53.094 53.050 0.311 0.000 0.918 531 N CB 0.139 38.783 38.487 0.262 0.000 1.339 531 N HN 0.246 nan 8.380 nan 0.000 0.493 532 F N -0.537 119.518 119.950 0.176 0.000 2.375 532 F HA 0.300 5.244 4.527 0.694 0.000 0.333 532 F C 1.285 177.174 175.800 0.147 0.000 1.104 532 F CA -0.335 57.792 58.000 0.213 0.000 1.149 532 F CB 0.776 39.922 39.000 0.243 0.000 1.190 532 F HN 0.017 nan 8.300 nan 0.000 0.533 533 F N -0.182 119.912 119.950 0.239 0.000 2.740 533 F HA 0.117 5.062 4.527 0.697 0.000 0.304 533 F C 0.675 176.517 175.800 0.070 0.000 1.098 533 F CA 0.061 58.142 58.000 0.136 0.000 1.258 533 F CB 0.460 39.500 39.000 0.067 0.000 1.061 533 F HN 0.309 nan 8.300 nan 0.000 0.598 534 S N 1.297 117.155 115.700 0.262 0.000 2.664 534 S HA 0.439 5.328 4.470 0.698 0.000 0.262 534 S C -0.824 173.812 174.600 0.059 0.000 1.229 534 S CA -0.709 57.533 58.200 0.071 0.000 1.151 534 S CB 0.759 63.980 63.200 0.036 0.000 1.054 534 S HN 0.099 nan 8.310 nan 0.000 0.483 535 L N 2.680 123.862 121.223 -0.069 0.000 2.540 535 L HA 0.461 5.220 4.340 0.698 0.000 0.276 535 L C 0.006 176.792 176.870 -0.140 0.000 1.212 535 L CA 1.147 55.907 54.840 -0.134 0.000 0.893 535 L CB 0.041 42.018 42.059 -0.137 0.000 1.138 535 L HN 0.836 nan 8.230 nan 0.000 0.491 536 D N 1.028 121.426 120.400 -0.005 0.000 2.650 536 D HA 0.664 5.722 4.640 0.698 0.000 0.255 536 D C 0.259 176.625 176.300 0.111 0.000 1.135 536 D CA 0.518 54.545 54.000 0.045 0.000 1.099 536 D CB 1.821 42.726 40.800 0.175 0.000 1.273 536 D HN 0.692 nan 8.370 nan 0.000 0.628 537 T N -2.966 111.693 114.554 0.174 0.000 3.259 537 T HA 0.033 4.801 4.350 0.698 0.000 0.287 537 T C 1.076 176.010 174.700 0.391 0.000 0.874 537 T CA -0.413 61.835 62.100 0.248 0.000 0.878 537 T CB -0.556 68.167 68.868 -0.241 0.000 1.223 537 T HN 0.254 nan 8.240 nan 0.000 0.630 538 F N 4.719 124.746 119.950 0.127 0.000 2.128 538 F HA 0.228 5.174 4.527 0.699 0.000 0.295 538 F C -0.897 174.888 175.800 -0.025 0.000 1.100 538 F CA 0.708 58.719 58.000 0.020 0.000 1.260 538 F CB -0.874 38.110 39.000 -0.028 0.000 1.009 538 F HN 0.031 nan 8.300 nan 0.000 0.476 539 P HA -0.248 nan 4.420 nan 0.000 0.216 539 P C 1.080 178.138 177.300 -0.403 0.000 1.150 539 P CA 1.906 64.679 63.100 -0.545 0.000 0.843 539 P CB -0.637 30.717 31.700 -0.576 0.000 0.787 540 Y N 1.260 121.618 120.300 0.096 0.000 2.578 540 Y HA -0.013 4.955 4.550 0.696 0.000 0.297 540 Y C 2.497 178.444 175.900 0.078 0.000 1.176 540 Y CA 0.304 58.490 58.100 0.144 0.000 1.315 540 Y CB -1.067 37.547 38.460 0.256 0.000 1.031 540 Y HN 0.101 nan 8.280 nan 0.000 0.524 541 K N -0.641 119.781 120.400 0.037 0.000 2.074 541 K HA -0.193 4.545 4.320 0.698 0.000 0.209 541 K C 1.161 177.776 176.600 0.023 0.000 1.048 541 K CA 2.053 58.327 56.287 -0.022 0.000 0.926 541 K CB -0.951 31.317 32.500 -0.386 0.000 0.713 541 K HN 0.297 nan 8.250 nan 0.000 0.444 542 C N 1.465 120.746 119.300 -0.032 0.000 2.693 542 C HA 0.350 5.228 4.460 0.698 0.000 0.286 542 C C 0.687 175.691 174.990 0.024 0.000 1.277 542 C CA -0.745 58.270 59.018 -0.004 0.000 1.705 542 C CB -1.083 26.632 27.740 -0.042 0.000 1.879 542 C HN 0.369 nan 8.230 nan 0.000 0.607 543 L N 2.546 123.802 121.223 0.055 0.000 2.437 543 L HA 0.101 4.859 4.340 0.698 0.000 0.243 543 L C 0.956 177.841 176.870 0.025 0.000 1.346 543 L CA -0.189 54.672 54.840 0.035 0.000 1.233 543 L CB -0.733 41.356 42.059 0.050 0.000 1.436 543 L HN 0.390 nan 8.230 nan 0.000 0.416 544 N N 0.414 119.127 118.700 0.021 0.000 2.100 544 N HA -0.264 4.895 4.740 0.698 0.000 0.199 544 N C 1.663 177.178 175.510 0.008 0.000 1.017 544 N CA 2.211 55.273 53.050 0.020 0.000 0.890 544 N CB -0.257 38.239 38.487 0.014 0.000 1.080 544 N HN 0.343 nan 8.380 nan 0.000 0.525 545 S N -0.207 115.488 115.700 -0.008 0.000 2.561 545 S HA 0.079 4.967 4.470 0.698 0.000 0.225 545 S C 0.387 174.965 174.600 -0.036 0.000 0.977 545 S CA -0.377 57.812 58.200 -0.018 0.000 0.926 545 S CB -0.275 62.911 63.200 -0.023 0.000 0.769 545 S HN 0.255 nan 8.310 nan 0.000 0.533 546 L N 2.843 124.037 121.223 -0.048 0.000 2.700 546 L HA -0.091 4.668 4.340 0.698 0.000 0.276 546 L C 0.932 177.756 176.870 -0.076 0.000 1.200 546 L CA 0.929 55.718 54.840 -0.084 0.000 0.951 546 L CB 0.162 42.170 42.059 -0.085 0.000 1.226 546 L HN 0.189 nan 8.230 nan 0.000 0.489 547 Q N 3.135 122.887 119.800 -0.081 0.000 2.462 547 Q HA 0.239 4.998 4.340 0.698 0.000 0.224 547 Q C -0.282 175.700 176.000 -0.029 0.000 0.911 547 Q CA 0.202 55.986 55.803 -0.032 0.000 0.925 547 Q CB 0.600 29.337 28.738 -0.002 0.000 1.063 547 Q HN 0.558 nan 8.270 nan 0.000 0.572 548 V N 1.132 120.982 119.914 -0.107 0.000 2.769 548 V HA 0.468 5.007 4.120 0.698 0.000 0.312 548 V C -0.840 175.127 176.094 -0.212 0.000 1.058 548 V CA -0.785 61.439 62.300 -0.126 0.000 0.952 548 V CB 2.212 33.925 31.823 -0.183 0.000 1.019 548 V HN 0.156 nan 8.190 nan 0.000 0.445 549 L N 2.578 123.684 121.223 -0.196 0.000 2.487 549 L HA 0.439 5.198 4.340 0.698 0.000 0.261 549 L C -0.787 176.001 176.870 -0.136 0.000 1.223 549 L CA -0.002 54.698 54.840 -0.234 0.000 0.883 549 L CB 1.041 42.896 42.059 -0.341 0.000 1.065 549 L HN 0.732 nan 8.230 nan 0.000 0.488 550 D N 1.632 121.938 120.400 -0.157 0.000 2.382 550 D HA 0.093 5.152 4.640 0.698 0.000 0.245 550 D C -0.413 175.821 176.300 -0.109 0.000 1.120 550 D CA 0.723 54.664 54.000 -0.099 0.000 0.890 550 D CB 0.907 41.635 40.800 -0.121 0.000 1.201 550 D HN 0.518 nan 8.370 nan 0.000 0.433 551 Y N 0.693 120.927 120.300 -0.111 0.000 2.890 551 Y HA 0.036 5.007 4.550 0.702 0.000 0.266 551 Y C 0.871 176.720 175.900 -0.086 0.000 1.090 551 Y CA -0.238 57.791 58.100 -0.118 0.000 1.258 551 Y CB 0.240 38.636 38.460 -0.106 0.000 1.346 551 Y HN 0.367 nan 8.280 nan 0.000 0.578 552 S N -0.351 115.374 115.700 0.041 0.000 2.641 552 S HA 0.026 4.914 4.470 0.698 0.000 0.251 552 S C 1.030 175.594 174.600 -0.059 0.000 1.332 552 S CA -0.066 58.136 58.200 0.003 0.000 0.968 552 S CB 0.360 63.558 63.200 -0.003 0.000 0.987 552 S HN 0.416 nan 8.310 nan 0.000 0.587 553 L N 0.006 121.159 121.223 -0.118 0.000 4.044 553 L HA -0.287 4.471 4.340 0.698 0.000 0.452 553 L C 0.767 177.454 176.870 -0.305 0.000 1.107 553 L CA 0.505 55.196 54.840 -0.248 0.000 0.957 553 L CB -2.015 39.839 42.059 -0.341 0.000 1.850 553 L HN 0.694 nan 8.230 nan 0.000 1.040 554 N N -0.991 117.561 118.700 -0.246 0.000 2.669 554 N HA 0.294 5.453 4.740 0.698 0.000 0.306 554 N C 0.382 175.538 175.510 -0.590 0.000 1.352 554 N CA -0.777 52.111 53.050 -0.269 0.000 0.886 554 N CB 0.332 38.812 38.487 -0.011 0.000 1.107 554 N HN 0.182 nan 8.380 nan 0.000 0.534 555 H N 0.150 119.063 119.070 -0.261 0.000 2.651 555 H HA 0.347 5.321 4.556 0.697 0.000 0.241 555 H C -0.400 174.555 175.328 -0.621 0.000 1.225 555 H CA -0.140 55.562 56.048 -0.576 0.000 0.942 555 H CB 0.314 29.463 29.762 -1.022 0.000 1.996 555 H HN 0.326 nan 8.280 nan 0.000 0.600 556 I N 1.692 122.109 120.570 -0.255 0.000 2.882 556 I HA 0.013 4.601 4.170 0.698 0.000 0.286 556 I C 1.532 177.538 176.117 -0.186 0.000 1.139 556 I CA 0.421 61.634 61.300 -0.144 0.000 1.379 556 I CB 0.848 38.810 38.000 -0.063 0.000 1.410 556 I HN 0.293 nan 8.210 nan 0.000 0.594 557 M N 0.026 119.601 119.600 -0.041 0.000 1.591 557 M HA 0.094 4.992 4.480 0.698 0.000 0.298 557 M C 0.067 176.331 176.300 -0.060 0.000 0.849 557 M CA -0.203 55.124 55.300 0.045 0.000 1.057 557 M CB 0.125 32.746 32.600 0.035 0.000 2.104 557 M HN 0.426 nan 8.290 nan 0.000 0.794 558 T N 1.332 115.738 114.554 -0.247 0.000 2.994 558 T HA 0.571 5.339 4.350 0.698 0.000 0.322 558 T C 0.136 174.349 174.700 -0.811 0.000 1.199 558 T CA 0.167 61.978 62.100 -0.482 0.000 0.945 558 T CB 1.151 69.886 68.868 -0.221 0.000 1.754 558 T HN 0.357 nan 8.240 nan 0.000 0.571 559 S N -0.438 114.913 115.700 -0.582 0.000 2.508 559 S HA 0.132 5.020 4.470 0.698 0.000 0.182 559 S C -0.190 174.242 174.600 -0.280 0.000 0.683 559 S CA -0.668 57.159 58.200 -0.623 0.000 0.912 559 S CB -0.343 62.237 63.200 -1.033 0.000 1.441 559 S HN 0.570 nan 8.310 nan 0.000 0.414 560 K N 2.219 122.518 120.400 -0.168 0.000 2.665 560 K HA 0.117 4.856 4.320 0.698 0.000 0.196 560 K C -0.006 176.544 176.600 -0.083 0.000 1.021 560 K CA 0.371 56.607 56.287 -0.086 0.000 1.066 560 K CB 0.015 32.490 32.500 -0.042 0.000 0.849 560 K HN 0.158 nan 8.250 nan 0.000 0.500 561 K N 0.762 121.090 120.400 -0.120 0.000 2.589 561 K HA 0.057 4.796 4.320 0.698 0.000 0.298 561 K C -1.087 175.424 176.600 -0.148 0.000 1.136 561 K CA -0.233 55.988 56.287 -0.109 0.000 1.020 561 K CB 1.427 33.873 32.500 -0.090 0.000 1.345 561 K HN -0.173 nan 8.250 nan 0.000 0.478 562 Q N 1.237 120.962 119.800 -0.125 0.000 2.294 562 Q HA -0.020 4.739 4.340 0.698 0.000 0.222 562 Q C 0.339 176.243 176.000 -0.161 0.000 0.903 562 Q CA 0.351 56.066 55.803 -0.147 0.000 0.966 562 Q CB -0.042 28.651 28.738 -0.076 0.000 1.091 562 Q HN 0.289 nan 8.270 nan 0.000 0.438 563 E N -0.331 119.773 120.200 -0.160 0.000 2.336 563 E HA 0.073 4.842 4.350 0.698 0.000 0.214 563 E C -0.039 176.446 176.600 -0.191 0.000 1.144 563 E CA -0.014 56.322 56.400 -0.107 0.000 1.294 563 E CB -0.434 29.269 29.700 0.005 0.000 1.263 563 E HN 0.419 nan 8.360 nan 0.000 0.439 564 L N 0.805 121.787 121.223 -0.401 0.000 2.784 564 L HA -0.120 4.639 4.340 0.698 0.000 0.247 564 L C 1.831 178.469 176.870 -0.388 0.000 1.162 564 L CA 0.791 55.173 54.840 -0.763 0.000 0.881 564 L CB -0.546 40.554 42.059 -1.599 0.000 1.032 564 L HN 0.352 nan 8.230 nan 0.000 0.446 565 Q N -2.429 117.262 119.800 -0.182 0.000 2.391 565 Q HA -0.029 4.730 4.340 0.698 0.000 0.211 565 Q C 1.119 177.100 176.000 -0.032 0.000 0.908 565 Q CA 0.425 56.194 55.803 -0.056 0.000 0.920 565 Q CB -0.020 28.659 28.738 -0.098 0.000 1.056 565 Q HN 0.340 nan 8.270 nan 0.000 0.523 566 H N 0.854 119.931 119.070 0.012 0.000 4.288 566 H HA 0.140 5.115 4.556 0.698 0.000 0.184 566 H C -1.178 174.313 175.328 0.273 0.000 1.451 566 H CA 0.159 56.283 56.048 0.127 0.000 1.364 566 H CB -0.953 28.908 29.762 0.165 0.000 1.615 566 H HN 0.271 nan 8.280 nan 0.000 0.800 567 F N 1.754 121.848 119.950 0.241 0.000 2.427 567 F HA 0.236 5.182 4.527 0.699 0.000 0.348 567 F C -1.676 174.206 175.800 0.137 0.000 1.125 567 F CA -2.363 55.747 58.000 0.183 0.000 0.989 567 F CB 1.641 40.742 39.000 0.169 0.000 1.165 567 F HN 0.125 nan 8.300 nan 0.000 0.442 568 P HA -0.139 nan 4.420 nan 0.000 0.266 568 P C 0.299 177.669 177.300 0.116 0.000 1.162 568 P CA 0.605 63.801 63.100 0.160 0.000 0.758 568 P CB 0.595 32.350 31.700 0.091 0.000 0.774 569 S N 0.733 116.489 115.700 0.093 0.000 2.442 569 S HA -0.126 4.763 4.470 0.698 0.000 0.236 569 S C 1.650 176.272 174.600 0.036 0.000 1.007 569 S CA 1.508 59.747 58.200 0.065 0.000 0.965 569 S CB -0.444 62.790 63.200 0.056 0.000 0.773 569 S HN 0.697 nan 8.310 nan 0.000 0.504 570 S N 0.750 116.465 115.700 0.026 0.000 2.503 570 S HA 0.202 5.091 4.470 0.698 0.000 0.217 570 S C 0.590 175.186 174.600 -0.007 0.000 0.999 570 S CA -0.414 57.791 58.200 0.008 0.000 0.914 570 S CB -0.530 62.674 63.200 0.007 0.000 0.782 570 S HN 0.305 nan 8.310 nan 0.000 0.520 571 L N 2.743 123.955 121.223 -0.019 0.000 2.780 571 L HA 0.259 5.018 4.340 0.698 0.000 0.275 571 L C 0.981 177.812 176.870 -0.065 0.000 1.153 571 L CA 0.092 54.893 54.840 -0.065 0.000 0.993 571 L CB -0.489 41.493 42.059 -0.128 0.000 1.319 571 L HN 0.286 nan 8.230 nan 0.000 0.479 572 A N 5.132 127.933 122.820 -0.031 0.000 1.896 572 A HA 0.247 4.985 4.320 0.698 0.000 0.213 572 A C 0.564 178.021 177.584 -0.210 0.000 1.306 572 A CA 0.306 52.281 52.037 -0.104 0.000 0.626 572 A CB -0.434 18.565 19.000 -0.003 0.000 0.994 572 A HN 0.563 nan 8.150 nan 0.000 0.475 573 F N -1.179 118.704 119.950 -0.112 0.000 2.371 573 F HA 0.612 5.559 4.527 0.700 0.000 0.329 573 F C -0.034 175.670 175.800 -0.159 0.000 1.107 573 F CA -0.579 57.352 58.000 -0.116 0.000 1.137 573 F CB 1.297 40.239 39.000 -0.097 0.000 1.214 573 F HN 0.115 nan 8.300 nan 0.000 0.536 574 L N 3.219 124.462 121.223 0.033 0.000 2.487 574 L HA 0.264 5.022 4.340 0.698 0.000 0.261 574 L C -0.683 176.187 176.870 0.000 0.000 1.223 574 L CA -0.235 54.570 54.840 -0.058 0.000 0.883 574 L CB 0.024 41.993 42.059 -0.149 0.000 1.065 574 L HN 0.546 nan 8.230 nan 0.000 0.488 575 N N 2.924 121.642 118.700 0.030 0.000 2.454 575 N HA 0.222 5.380 4.740 0.698 0.000 0.254 575 N C 0.087 175.641 175.510 0.074 0.000 1.228 575 N CA 0.574 53.652 53.050 0.046 0.000 0.900 575 N CB 1.033 39.537 38.487 0.029 0.000 1.089 575 N HN 0.732 nan 8.380 nan 0.000 0.449 576 L N 1.111 122.390 121.223 0.093 0.000 3.759 576 L HA 0.034 4.793 4.340 0.698 0.000 0.355 576 L C 0.361 177.338 176.870 0.179 0.000 1.271 576 L CA -0.222 54.706 54.840 0.147 0.000 1.142 576 L CB 0.216 42.381 42.059 0.176 0.000 1.474 576 L HN 0.560 nan 8.230 nan 0.000 0.624 577 T N -1.487 113.139 114.554 0.119 0.000 2.937 577 T HA 0.127 4.896 4.350 0.698 0.000 0.316 577 T C 0.326 175.085 174.700 0.098 0.000 1.079 577 T CA 0.158 62.328 62.100 0.117 0.000 1.131 577 T CB 1.269 70.174 68.868 0.060 0.000 1.000 577 T HN 0.339 nan 8.240 nan 0.000 0.549 578 Q N 1.640 121.518 119.800 0.130 0.000 2.630 578 Q HA -0.196 4.563 4.340 0.698 0.000 0.210 578 Q C -0.926 175.059 176.000 -0.025 0.000 1.400 578 Q CA 0.610 56.455 55.803 0.070 0.000 0.668 578 Q CB -0.887 27.848 28.738 -0.005 0.000 0.781 578 Q HN 0.940 nan 8.270 nan 0.000 0.311 579 N N 1.873 120.548 118.700 -0.042 0.000 3.526 579 N HA 0.330 5.489 4.740 0.698 0.000 0.328 579 N C -1.508 173.867 175.510 -0.225 0.000 1.601 579 N CA -0.581 52.268 53.050 -0.336 0.000 0.834 579 N CB 1.167 39.134 38.487 -0.867 0.000 1.983 579 N HN 0.429 nan 8.380 nan 0.000 0.579 580 D N 1.109 121.320 120.400 -0.316 0.000 2.886 580 D HA 0.279 5.337 4.640 0.698 0.000 0.355 580 D C -0.408 175.872 176.300 -0.034 0.000 1.274 580 D CA -0.119 53.842 54.000 -0.065 0.000 0.836 580 D CB 0.064 40.867 40.800 0.005 0.000 1.109 580 D HN 0.221 nan 8.370 nan 0.000 0.488 581 F N 1.478 121.473 119.950 0.074 0.000 2.633 581 F HA 0.176 5.122 4.527 0.698 0.000 0.338 581 F C 1.431 177.297 175.800 0.110 0.000 1.206 581 F CA -0.445 57.614 58.000 0.099 0.000 1.378 581 F CB 0.457 39.504 39.000 0.078 0.000 1.116 581 F HN 0.056 nan 8.300 nan 0.000 0.615 582 A N 0.927 123.953 122.820 0.343 0.000 2.394 582 A HA 0.452 5.190 4.320 0.698 0.000 0.333 582 A C -0.780 176.971 177.584 0.277 0.000 1.397 582 A CA -0.536 51.676 52.037 0.292 0.000 0.884 582 A CB -0.285 18.925 19.000 0.349 0.000 1.147 582 A HN 0.882 nan 8.150 nan 0.000 0.505 583 c N 3.030 121.751 118.600 0.201 0.000 2.687 583 c HA 0.477 5.465 4.570 0.698 0.000 0.490 583 c C 1.105 175.263 174.090 0.114 0.000 1.265 583 c CA 0.027 56.437 56.329 0.136 0.000 1.569 583 c CB -2.158 40.402 42.510 0.083 0.000 2.080 583 c HN 0.826 nan 8.230 nan 0.000 0.618 584 T N -3.696 110.939 114.554 0.136 0.000 2.900 584 T HA 0.199 4.968 4.350 0.698 0.000 0.295 584 T C 0.814 175.563 174.700 0.081 0.000 1.044 584 T CA -0.539 61.617 62.100 0.093 0.000 0.995 584 T CB 1.118 70.039 68.868 0.089 0.000 1.072 584 T HN 0.265 nan 8.240 nan 0.000 0.473 585 c N 1.266 119.894 118.600 0.046 0.000 2.393 585 c HA -0.098 4.891 4.570 0.698 0.000 0.292 585 c C 2.392 176.485 174.090 0.004 0.000 1.347 585 c CA 1.661 58.010 56.329 0.033 0.000 1.810 585 c CB -1.730 40.791 42.510 0.018 0.000 1.899 585 c HN 1.111 nan 8.230 nan 0.000 0.532 586 E N -0.831 119.344 120.200 -0.041 0.000 2.187 586 E HA -0.226 4.542 4.350 0.698 0.000 0.199 586 E C 0.416 176.809 176.600 -0.345 0.000 1.004 586 E CA 1.194 57.475 56.400 -0.199 0.000 0.813 586 E CB -0.144 29.404 29.700 -0.253 0.000 0.736 586 E HN 0.770 nan 8.360 nan 0.000 0.468 587 H N -0.230 118.906 119.070 0.111 0.000 2.500 587 H HA 0.099 5.074 4.556 0.698 0.000 0.243 587 H C 0.625 176.048 175.328 0.157 0.000 1.318 587 H CA -0.131 56.011 56.048 0.157 0.000 1.077 587 H CB 0.667 30.562 29.762 0.222 0.000 1.748 587 H HN 0.323 nan 8.280 nan 0.000 0.556 588 Q N 0.323 120.223 119.800 0.166 0.000 2.172 588 Q HA -0.112 4.647 4.340 0.698 0.000 0.200 588 Q C 1.932 178.020 176.000 0.147 0.000 0.964 588 Q CA 1.200 57.079 55.803 0.126 0.000 0.855 588 Q CB 0.442 29.224 28.738 0.072 0.000 0.918 588 Q HN 0.251 nan 8.270 nan 0.000 0.444 589 S N -0.533 115.269 115.700 0.170 0.000 2.368 589 S HA -0.144 4.744 4.470 0.698 0.000 0.225 589 S C 1.466 176.225 174.600 0.265 0.000 1.030 589 S CA 1.174 59.480 58.200 0.177 0.000 0.999 589 S CB -0.311 62.976 63.200 0.146 0.000 0.844 589 S HN 0.573 nan 8.310 nan 0.000 0.459 590 F N 1.311 121.353 119.950 0.153 0.000 2.317 590 F HA 0.354 5.299 4.527 0.697 0.000 0.293 590 F C 1.721 177.667 175.800 0.243 0.000 1.085 590 F CA 0.498 58.606 58.000 0.179 0.000 1.390 590 F CB -0.540 38.537 39.000 0.128 0.000 1.077 590 F HN 0.207 nan 8.300 nan 0.000 0.517 591 L N 0.319 121.594 121.223 0.086 0.000 2.265 591 L HA -0.188 4.570 4.340 0.698 0.000 0.215 591 L C 2.252 179.080 176.870 -0.071 0.000 1.117 591 L CA 1.320 56.126 54.840 -0.057 0.000 0.782 591 L CB -0.364 41.730 42.059 0.057 0.000 0.914 591 L HN 0.298 nan 8.230 nan 0.000 0.441 592 Q N -0.826 118.986 119.800 0.019 0.000 2.062 592 Q HA -0.250 4.508 4.340 0.698 0.000 0.196 592 Q C 1.843 177.854 176.000 0.020 0.000 0.967 592 Q CA 1.869 57.684 55.803 0.019 0.000 0.832 592 Q CB -0.660 28.116 28.738 0.064 0.000 0.899 592 Q HN 0.566 nan 8.270 nan 0.000 0.442 593 W N 0.472 121.705 121.300 -0.112 0.000 2.331 593 W HA -0.185 4.893 4.660 0.696 0.000 0.291 593 W C 1.164 177.590 176.519 -0.155 0.000 1.214 593 W CA 1.319 58.600 57.345 -0.107 0.000 1.228 593 W CB -0.075 29.349 29.460 -0.059 0.000 1.135 593 W HN 0.205 nan 8.180 nan 0.000 0.537 594 I N 0.991 121.375 120.570 -0.310 0.000 2.252 594 I HA -0.267 4.322 4.170 0.698 0.000 0.245 594 I C 2.132 178.018 176.117 -0.384 0.000 1.102 594 I CA 1.708 62.731 61.300 -0.460 0.000 1.385 594 I CB -1.542 36.251 38.000 -0.345 0.000 1.064 594 I HN 0.085 nan 8.210 nan 0.000 0.414 595 K N 0.672 120.916 120.400 -0.260 0.000 2.025 595 K HA -0.153 4.586 4.320 0.698 0.000 0.207 595 K C 1.725 178.200 176.600 -0.208 0.000 1.049 595 K CA 1.337 57.504 56.287 -0.200 0.000 0.933 595 K CB -0.243 32.177 32.500 -0.133 0.000 0.714 595 K HN 0.236 nan 8.250 nan 0.000 0.438 596 D N 1.467 121.746 120.400 -0.202 0.000 2.191 596 D HA -0.190 4.869 4.640 0.698 0.000 0.195 596 D C 0.656 176.824 176.300 -0.219 0.000 1.003 596 D CA 1.415 55.311 54.000 -0.173 0.000 0.867 596 D CB -0.022 40.706 40.800 -0.119 0.000 0.926 596 D HN 0.519 nan 8.370 nan 0.000 0.450 597 Q N -0.066 119.526 119.800 -0.347 0.000 3.075 597 Q HA 0.282 5.041 4.340 0.698 0.000 0.318 597 Q C 0.148 175.974 176.000 -0.290 0.000 0.907 597 Q CA -0.426 55.196 55.803 -0.301 0.000 0.882 597 Q CB 0.307 28.843 28.738 -0.336 0.000 1.386 597 Q HN 0.148 nan 8.270 nan 0.000 0.408 598 R N -0.315 120.050 120.500 -0.226 0.000 2.363 598 R HA 0.112 4.870 4.340 0.698 0.000 0.236 598 R C 0.407 176.607 176.300 -0.167 0.000 0.966 598 R CA -0.179 55.803 56.100 -0.196 0.000 1.100 598 R CB 0.270 30.470 30.300 -0.166 0.000 1.125 598 R HN 0.185 nan 8.270 nan 0.000 0.514 599 Q N 0.501 120.200 119.800 -0.169 0.000 2.247 599 Q HA 0.252 5.011 4.340 0.698 0.000 0.204 599 Q C 1.103 176.988 176.000 -0.192 0.000 0.872 599 Q CA 0.274 55.981 55.803 -0.161 0.000 0.951 599 Q CB 0.760 29.419 28.738 -0.132 0.000 1.099 599 Q HN 0.473 nan 8.270 nan 0.000 0.501 600 L N -1.446 119.659 121.223 -0.195 0.000 2.730 600 L HA 0.210 4.968 4.340 0.698 0.000 0.236 600 L C 0.898 177.657 176.870 -0.186 0.000 1.061 600 L CA 0.073 54.790 54.840 -0.205 0.000 0.898 600 L CB 0.384 42.353 42.059 -0.150 0.000 1.270 600 L HN 0.079 nan 8.230 nan 0.000 0.500 601 L N -0.074 121.053 121.223 -0.160 0.000 2.332 601 L HA 0.030 4.789 4.340 0.698 0.000 0.219 601 L C 0.623 177.452 176.870 -0.068 0.000 1.199 601 L CA 0.329 55.105 54.840 -0.106 0.000 0.830 601 L CB 0.240 42.229 42.059 -0.117 0.000 1.192 601 L HN -0.035 nan 8.230 nan 0.000 0.571 602 V N -3.318 116.583 119.914 -0.021 0.000 5.071 602 V HA 0.274 4.813 4.120 0.698 0.000 0.300 602 V C -0.543 175.552 176.094 0.002 0.000 1.520 602 V CA -0.985 61.328 62.300 0.020 0.000 0.822 602 V CB 0.735 32.603 31.823 0.076 0.000 1.318 602 V HN 0.649 nan 8.190 nan 0.000 0.446 603 E N 0.911 121.122 120.200 0.018 0.000 2.877 603 E HA 0.035 4.803 4.350 0.698 0.000 0.230 603 E C 0.774 177.369 176.600 -0.009 0.000 1.126 603 E CA 0.317 56.721 56.400 0.005 0.000 0.946 603 E CB 0.343 30.051 29.700 0.014 0.000 0.965 603 E HN 0.487 nan 8.360 nan 0.000 0.529 604 V N 3.347 123.243 119.914 -0.030 0.000 2.871 604 V HA -0.175 4.363 4.120 0.698 0.000 0.256 604 V C 2.046 178.111 176.094 -0.049 0.000 1.082 604 V CA 1.484 63.752 62.300 -0.053 0.000 1.105 604 V CB -0.465 31.313 31.823 -0.075 0.000 0.713 604 V HN 0.670 nan 8.190 nan 0.000 0.473 605 E N 1.175 121.356 120.200 -0.031 0.000 2.512 605 E HA -0.129 4.640 4.350 0.698 0.000 0.195 605 E C 1.323 177.916 176.600 -0.012 0.000 1.083 605 E CA 0.508 56.893 56.400 -0.025 0.000 0.873 605 E CB -0.152 29.537 29.700 -0.017 0.000 0.897 605 E HN 0.545 nan 8.360 nan 0.000 0.514 606 R N -0.056 120.442 120.500 -0.003 0.000 2.600 606 R HA 0.369 5.128 4.340 0.698 0.000 0.392 606 R C 0.796 177.126 176.300 0.051 0.000 1.032 606 R CA -0.106 56.007 56.100 0.021 0.000 1.139 606 R CB 0.413 30.728 30.300 0.025 0.000 1.400 606 R HN 0.085 nan 8.270 nan 0.000 0.566 607 M N 1.084 120.690 119.600 0.010 0.000 2.756 607 M HA 0.162 5.061 4.480 0.698 0.000 0.320 607 M C -0.570 175.664 176.300 -0.110 0.000 1.245 607 M CA 0.110 55.408 55.300 -0.003 0.000 0.972 607 M CB 0.483 32.984 32.600 -0.164 0.000 1.327 607 M HN 0.007 nan 8.290 nan 0.000 0.505 608 E N 0.318 120.525 120.200 0.012 0.000 2.492 608 E HA -0.038 4.730 4.350 0.698 0.000 0.266 608 E C -0.030 176.618 176.600 0.080 0.000 1.047 608 E CA -0.030 56.378 56.400 0.013 0.000 0.968 608 E CB 0.764 30.493 29.700 0.047 0.000 0.960 608 E HN 0.393 nan 8.360 nan 0.000 0.452 609 c N 1.141 119.766 118.600 0.042 0.000 2.640 609 c HA 0.363 5.352 4.570 0.698 0.000 0.330 609 c C 1.462 175.655 174.090 0.172 0.000 1.416 609 c CA 0.407 56.807 56.329 0.118 0.000 2.396 609 c CB 0.347 42.893 42.510 0.060 0.000 2.330 609 c HN 0.918 nan 8.230 nan 0.000 0.704 610 A N -0.825 122.104 122.820 0.182 0.000 1.827 610 A HA 0.118 4.857 4.320 0.698 0.000 0.196 610 A C 1.748 179.407 177.584 0.125 0.000 1.833 610 A CA 0.793 52.919 52.037 0.148 0.000 1.363 610 A CB -1.022 18.073 19.000 0.159 0.000 1.439 610 A HN 0.816 nan 8.150 nan 0.000 0.391 611 T N -1.048 113.589 114.554 0.139 0.000 2.812 611 T HA 0.089 4.858 4.350 0.698 0.000 0.264 611 T C -1.518 173.239 174.700 0.095 0.000 1.042 611 T CA 0.587 62.761 62.100 0.122 0.000 1.140 611 T CB -1.772 67.184 68.868 0.147 0.000 0.870 611 T HN 0.258 nan 8.240 nan 0.000 0.445 612 P HA 0.255 nan 4.420 nan 0.000 0.269 612 P C 0.782 178.116 177.300 0.057 0.000 1.263 612 P CA -0.047 63.093 63.100 0.066 0.000 0.813 612 P CB 0.806 32.540 31.700 0.057 0.000 0.868 613 S N 1.084 116.815 115.700 0.052 0.000 2.537 613 S HA -0.136 4.753 4.470 0.698 0.000 0.240 613 S C 0.941 175.564 174.600 0.037 0.000 0.981 613 S CA 1.081 59.308 58.200 0.045 0.000 0.948 613 S CB -0.370 62.854 63.200 0.041 0.000 0.759 613 S HN 0.343 nan 8.310 nan 0.000 0.531 614 D N 0.354 120.775 120.400 0.036 0.000 2.455 614 D HA 0.136 5.194 4.640 0.698 0.000 0.228 614 D C -0.032 176.284 176.300 0.027 0.000 1.070 614 D CA 0.360 54.378 54.000 0.029 0.000 0.881 614 D CB 0.313 41.128 40.800 0.025 0.000 1.087 614 D HN 0.228 nan 8.370 nan 0.000 0.498 615 K N 1.794 122.214 120.400 0.032 0.000 2.562 615 K HA 0.271 5.010 4.320 0.698 0.000 0.206 615 K C -0.621 176.000 176.600 0.035 0.000 1.033 615 K CA -0.177 56.127 56.287 0.028 0.000 1.029 615 K CB 1.796 34.311 32.500 0.025 0.000 1.393 615 K HN 0.106 nan 8.250 nan 0.000 0.539 616 Q N -0.097 119.724 119.800 0.035 0.000 2.292 616 Q HA 0.483 5.242 4.340 0.698 0.000 0.270 616 Q C 0.049 176.068 176.000 0.033 0.000 1.024 616 Q CA -0.155 55.674 55.803 0.044 0.000 0.768 616 Q CB 1.398 30.168 28.738 0.054 0.000 1.250 616 Q HN 0.671 nan 8.270 nan 0.000 0.447 617 G N 3.351 112.168 108.800 0.028 0.000 2.205 617 G HA2 -0.189 4.190 3.960 0.698 0.000 0.180 617 G HA3 -0.189 4.190 3.960 0.698 0.000 0.180 617 G C -0.243 174.656 174.900 -0.003 0.000 1.004 617 G CA -0.005 45.105 45.100 0.017 0.000 0.670 617 G HN 0.557 nan 8.290 nan 0.000 0.496 618 M N 3.001 122.593 119.600 -0.013 0.000 2.209 618 M HA 0.488 5.386 4.480 0.698 0.000 0.355 618 M C -1.961 174.300 176.300 -0.064 0.000 1.171 618 M CA -2.192 53.089 55.300 -0.031 0.000 1.069 618 M CB 1.290 33.874 32.600 -0.025 0.000 1.622 618 M HN -0.018 nan 8.290 nan 0.000 0.459 619 P HA -0.048 nan 4.420 nan 0.000 0.261 619 P C 0.529 177.734 177.300 -0.158 0.000 1.183 619 P CA 0.034 63.063 63.100 -0.118 0.000 0.761 619 P CB 0.514 32.157 31.700 -0.094 0.000 0.785 620 V N 4.149 123.909 119.914 -0.258 0.000 2.568 620 V HA -0.209 4.329 4.120 0.698 0.000 0.253 620 V C 2.037 178.001 176.094 -0.217 0.000 1.072 620 V CA 1.592 63.715 62.300 -0.296 0.000 1.084 620 V CB -0.782 30.706 31.823 -0.559 0.000 0.676 620 V HN 0.529 nan 8.190 nan 0.000 0.469 621 L N 0.088 121.194 121.223 -0.196 0.000 2.718 621 L HA 0.174 4.932 4.340 0.698 0.000 0.242 621 L C 0.220 177.023 176.870 -0.112 0.000 1.203 621 L CA 0.306 55.054 54.840 -0.154 0.000 1.011 621 L CB -0.342 41.628 42.059 -0.149 0.000 1.250 621 L HN 0.210 nan 8.230 nan 0.000 0.437 622 S N 0.922 116.561 115.700 -0.102 0.000 2.680 622 S HA 0.391 5.279 4.470 0.698 0.000 0.140 622 S C -0.752 173.812 174.600 -0.059 0.000 1.357 622 S CA -0.482 57.675 58.200 -0.072 0.000 1.201 622 S CB 0.856 64.017 63.200 -0.065 0.000 1.547 622 S HN -0.037 nan 8.310 nan 0.000 0.411 623 L N 2.143 123.334 121.223 -0.053 0.000 2.401 623 L HA 0.541 5.299 4.340 0.698 0.000 0.266 623 L C -0.411 176.445 176.870 -0.023 0.000 0.991 623 L CA -0.499 54.319 54.840 -0.036 0.000 0.818 623 L CB 1.782 43.820 42.059 -0.035 0.000 1.321 623 L HN 0.361 nan 8.230 nan 0.000 0.413 624 N N 4.128 122.820 118.700 -0.014 0.000 2.434 624 N HA 0.085 5.243 4.740 0.698 0.000 0.273 624 N C 0.373 175.882 175.510 -0.001 0.000 1.210 624 N CA -0.210 52.836 53.050 -0.008 0.000 0.992 624 N CB 0.829 39.313 38.487 -0.004 0.000 1.355 624 N HN 0.350 nan 8.380 nan 0.000 0.495 625 I N 1.822 122.392 120.570 -0.002 0.000 2.848 625 I HA -0.054 4.535 4.170 0.698 0.000 0.274 625 I C 1.057 177.179 176.117 0.008 0.000 1.049 625 I CA 0.234 61.538 61.300 0.007 0.000 2.038 625 I CB -2.344 35.660 38.000 0.006 0.000 1.403 625 I HN 0.158 nan 8.210 nan 0.000 0.847 626 T N -0.466 114.093 114.554 0.008 0.000 2.727 626 T HA 0.484 5.253 4.350 0.698 0.000 0.298 626 T C 0.122 174.828 174.700 0.010 0.000 0.942 626 T CA -0.542 61.563 62.100 0.008 0.000 0.997 626 T CB 0.838 69.709 68.868 0.006 0.000 0.917 626 T HN 0.309 nan 8.240 nan 0.000 0.487 627 c N 0.000 118.606 118.600 0.010 0.000 2.653 627 c HA 0.000 4.989 4.570 0.698 0.000 0.325 627 c CA 0.000 56.335 56.329 0.009 0.000 1.963 627 c CB 0.000 42.516 42.510 0.011 0.000 2.134 627 c HN 0.000 nan 8.230 nan 0.000 0.568