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_B 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 0.000 176.693 176.600 0.155 0.000 1.382 27 E CA 0.000 56.473 56.400 0.122 0.000 0.976 27 E CB 0.000 29.750 29.700 0.084 0.000 0.812 28 P HA -0.047 nan 4.420 nan 0.000 0.236 28 P C 0.418 177.792 177.300 0.124 0.000 1.172 28 P CA 0.185 63.383 63.100 0.163 0.000 0.759 28 P CB -0.111 31.713 31.700 0.206 0.000 0.843 29 c N -0.034 118.658 118.600 0.154 0.000 2.767 29 c HA 0.183 4.756 4.570 0.007 0.000 0.353 29 c C 0.954 175.111 174.090 0.111 0.000 1.376 29 c CA -0.400 55.993 56.329 0.107 0.000 2.284 29 c CB 0.365 42.974 42.510 0.166 0.000 2.535 29 c HN 0.035 nan 8.230 nan 0.000 0.745 30 V N 1.426 121.398 119.914 0.098 0.000 2.384 30 V HA 0.273 4.397 4.120 0.007 0.000 0.287 30 V C 0.114 176.258 176.094 0.083 0.000 1.020 30 V CA -0.130 62.212 62.300 0.070 0.000 0.850 30 V CB 1.261 33.093 31.823 0.014 0.000 0.987 30 V HN 0.868 nan 8.190 nan 0.000 0.436 31 E N 3.993 124.231 120.200 0.064 0.000 1.941 31 E HA 0.230 4.584 4.350 0.007 0.000 0.275 31 E C 0.328 176.810 176.600 -0.195 0.000 1.113 31 E CA -0.289 56.042 56.400 -0.115 0.000 0.878 31 E CB 1.267 30.999 29.700 0.053 0.000 1.070 31 E HN 0.554 nan 8.360 nan 0.000 0.399 32 V N 3.978 123.734 119.914 -0.264 0.000 2.283 32 V HA -0.083 4.041 4.120 0.007 0.000 0.243 32 V C 0.655 176.638 176.094 -0.186 0.000 1.039 32 V CA 0.805 62.998 62.300 -0.178 0.000 1.016 32 V CB 0.264 31.998 31.823 -0.148 0.000 0.650 32 V HN 0.484 nan 8.190 nan 0.000 0.449 33 V N 2.749 122.502 119.914 -0.268 0.000 2.357 33 V HA 0.344 4.468 4.120 0.007 0.000 0.281 33 V C -2.523 173.423 176.094 -0.247 0.000 1.015 33 V CA -1.943 60.242 62.300 -0.193 0.000 0.827 33 V CB 1.254 32.993 31.823 -0.139 0.000 1.018 33 V HN 0.269 nan 8.190 nan 0.000 0.432 34 P HA -0.047 nan 4.420 nan 0.000 0.263 34 P C 0.480 177.791 177.300 0.017 0.000 1.168 34 P CA 0.683 63.746 63.100 -0.061 0.000 0.759 34 P CB 0.378 32.082 31.700 0.006 0.000 0.782 35 N N 0.578 119.384 118.700 0.177 0.000 2.809 35 N HA -0.180 4.564 4.740 0.007 0.000 0.244 35 N C 0.659 176.287 175.510 0.197 0.000 1.018 35 N CA 1.414 54.604 53.050 0.233 0.000 0.917 35 N CB -0.793 37.782 38.487 0.146 0.000 1.130 35 N HN 0.452 nan 8.380 nan 0.000 0.591 36 I N -2.128 118.490 120.570 0.081 0.000 3.878 36 I HA 0.092 4.266 4.170 0.007 0.000 0.273 36 I C 0.286 176.398 176.117 -0.008 0.000 1.165 36 I CA 0.947 62.272 61.300 0.042 0.000 1.360 36 I CB -0.203 37.789 38.000 -0.013 0.000 1.539 36 I HN -0.168 nan 8.210 nan 0.000 0.447 37 T N 2.381 116.802 114.554 -0.222 0.000 2.840 37 T HA 0.611 4.965 4.350 0.007 0.000 0.287 37 T C -1.326 173.089 174.700 -0.474 0.000 0.991 37 T CA -0.162 61.809 62.100 -0.216 0.000 0.964 37 T CB 1.455 70.232 68.868 -0.151 0.000 0.954 37 T HN -0.120 nan 8.240 nan 0.000 0.438 38 Y N 1.580 121.861 120.300 -0.031 0.000 2.425 38 Y HA 0.520 5.074 4.550 0.007 0.000 0.344 38 Y C 0.286 176.153 175.900 -0.055 0.000 0.969 38 Y CA -1.026 57.056 58.100 -0.029 0.000 1.052 38 Y CB 2.035 40.489 38.460 -0.010 0.000 1.215 38 Y HN 0.492 nan 8.280 nan 0.000 0.451 39 Q N 2.684 122.523 119.800 0.066 0.000 2.456 39 Q HA 0.409 4.753 4.340 0.007 0.000 0.252 39 Q C -1.328 174.662 176.000 -0.017 0.000 1.042 39 Q CA -0.394 55.412 55.803 0.004 0.000 0.766 39 Q CB 0.423 29.148 28.738 -0.022 0.000 1.196 39 Q HN 0.908 nan 8.270 nan 0.000 0.504 40 c N 5.021 123.585 118.600 -0.059 0.000 2.687 40 c HA 0.357 4.931 4.570 0.007 0.000 0.490 40 c C 0.358 174.287 174.090 -0.268 0.000 1.265 40 c CA -0.579 55.630 56.329 -0.200 0.000 1.569 40 c CB -1.296 41.066 42.510 -0.248 0.000 2.080 40 c HN 0.766 nan 8.230 nan 0.000 0.618 41 M N 1.837 121.348 119.600 -0.147 0.000 2.180 41 M HA 0.188 4.672 4.480 0.007 0.000 0.358 41 M C 0.544 176.788 176.300 -0.092 0.000 1.233 41 M CA 0.593 55.846 55.300 -0.079 0.000 1.114 41 M CB 0.240 32.844 32.600 0.008 0.000 1.594 41 M HN 0.665 nan 8.290 nan 0.000 0.467 42 E N 3.860 124.033 120.200 -0.044 0.000 2.291 42 E HA -0.190 4.164 4.350 0.007 0.000 0.181 42 E C -1.173 175.366 176.600 -0.102 0.000 1.480 42 E CA 0.240 56.622 56.400 -0.031 0.000 0.674 42 E CB -0.813 28.877 29.700 -0.017 0.000 1.108 42 E HN 0.756 nan 8.360 nan 0.000 0.357 43 L N 0.789 121.897 121.223 -0.192 0.000 3.366 43 L HA 0.282 4.626 4.340 0.007 0.000 0.304 43 L C 0.442 177.353 176.870 0.068 0.000 1.292 43 L CA -0.459 54.292 54.840 -0.148 0.000 1.012 43 L CB 0.129 41.950 42.059 -0.398 0.000 1.414 43 L HN 0.281 nan 8.230 nan 0.000 0.603 44 N N 0.345 119.079 118.700 0.056 0.000 2.721 44 N HA -0.215 4.529 4.740 0.007 0.000 0.249 44 N C -0.402 175.279 175.510 0.285 0.000 1.072 44 N CA 0.569 53.685 53.050 0.111 0.000 0.710 44 N CB -1.074 37.539 38.487 0.210 0.000 0.993 44 N HN 0.325 nan 8.380 nan 0.000 0.547 45 F N -0.251 119.666 119.950 -0.055 0.000 2.445 45 F HA 0.091 4.622 4.527 0.007 0.000 0.359 45 F C 1.044 176.792 175.800 -0.088 0.000 1.101 45 F CA -0.678 57.327 58.000 0.007 0.000 1.177 45 F CB 0.410 39.418 39.000 0.014 0.000 1.110 45 F HN 0.135 nan 8.300 nan 0.000 0.522 46 Y N 1.982 122.363 120.300 0.135 0.000 2.478 46 Y HA 0.076 4.630 4.550 0.007 0.000 0.261 46 Y C 0.400 176.323 175.900 0.037 0.000 1.127 46 Y CA -0.047 58.097 58.100 0.073 0.000 1.288 46 Y CB 0.222 38.705 38.460 0.038 0.000 1.084 46 Y HN 0.307 nan 8.280 nan 0.000 0.530 47 K N -0.459 120.023 120.400 0.136 0.000 2.502 47 K HA 0.449 4.772 4.320 0.007 0.000 0.257 47 K C -1.197 175.407 176.600 0.007 0.000 0.938 47 K CA -1.080 55.229 56.287 0.037 0.000 0.819 47 K CB 1.731 34.232 32.500 0.002 0.000 1.333 47 K HN -0.205 nan 8.250 nan 0.000 0.434 48 I N 3.523 124.082 120.570 -0.018 0.000 2.752 48 I HA -0.013 4.161 4.170 0.007 0.000 0.289 48 I C -1.527 174.607 176.117 0.027 0.000 1.197 48 I CA -0.781 60.540 61.300 0.035 0.000 1.432 48 I CB -0.440 37.510 38.000 -0.083 0.000 1.359 48 I HN 0.580 nan 8.210 nan 0.000 0.571 49 P HA 0.069 nan 4.420 nan 0.000 0.271 49 P C -0.436 176.909 177.300 0.076 0.000 1.244 49 P CA 0.014 63.145 63.100 0.051 0.000 0.793 49 P CB 0.878 32.718 31.700 0.234 0.000 0.984 50 D N -1.644 118.740 120.400 -0.026 0.000 2.345 50 D HA -0.088 4.556 4.640 0.007 0.000 0.290 50 D C 0.566 176.779 176.300 -0.146 0.000 1.107 50 D CA 0.076 54.001 54.000 -0.124 0.000 0.836 50 D CB -1.039 39.701 40.800 -0.100 0.000 1.406 50 D HN 0.528 nan 8.370 nan 0.000 0.532 51 N N 1.250 119.900 118.700 -0.084 0.000 2.535 51 N HA 0.069 4.813 4.740 0.007 0.000 0.203 51 N C -0.060 175.379 175.510 -0.118 0.000 1.301 51 N CA -0.026 52.974 53.050 -0.082 0.000 0.859 51 N CB 0.032 38.494 38.487 -0.043 0.000 1.055 51 N HN 0.149 nan 8.380 nan 0.000 0.457 52 L N -0.124 121.002 121.223 -0.162 0.000 2.334 52 L HA 0.548 4.892 4.340 0.007 0.000 0.273 52 L C -2.143 174.556 176.870 -0.286 0.000 1.013 52 L CA -2.508 52.182 54.840 -0.250 0.000 0.816 52 L CB 1.381 43.344 42.059 -0.160 0.000 1.278 52 L HN -0.155 nan 8.230 nan 0.000 0.431 53 P HA -0.034 nan 4.420 nan 0.000 0.269 53 P C -0.027 177.219 177.300 -0.089 0.000 1.205 53 P CA 0.275 63.339 63.100 -0.060 0.000 0.780 53 P CB 0.345 32.111 31.700 0.110 0.000 0.858 54 F N -0.458 119.535 119.950 0.071 0.000 2.569 54 F HA -0.058 4.473 4.527 0.007 0.000 0.295 54 F C 2.318 178.202 175.800 0.139 0.000 1.115 54 F CA 1.030 59.075 58.000 0.075 0.000 1.450 54 F CB -0.819 38.207 39.000 0.044 0.000 1.107 54 F HN 0.219 nan 8.300 nan 0.000 0.563 55 S N -1.405 114.484 115.700 0.315 0.000 2.515 55 S HA -0.054 4.420 4.470 0.007 0.000 0.231 55 S C 0.901 175.637 174.600 0.227 0.000 0.987 55 S CA 0.114 58.456 58.200 0.236 0.000 0.936 55 S CB -1.367 61.948 63.200 0.193 0.000 0.766 55 S HN 0.153 nan 8.310 nan 0.000 0.528 56 T N 3.082 117.802 114.554 0.278 0.000 2.849 56 T HA 0.057 4.411 4.350 0.007 0.000 0.289 56 T C 0.822 175.639 174.700 0.195 0.000 1.010 56 T CA 0.474 62.743 62.100 0.282 0.000 1.161 56 T CB 0.514 69.586 68.868 0.341 0.000 0.989 56 T HN 0.465 nan 8.240 nan 0.000 0.523 57 K N 1.702 122.176 120.400 0.124 0.000 2.399 57 K HA 0.141 4.465 4.320 0.007 0.000 0.196 57 K C 0.159 176.767 176.600 0.014 0.000 1.117 57 K CA 0.024 56.351 56.287 0.066 0.000 0.965 57 K CB 0.503 33.027 32.500 0.040 0.000 0.983 57 K HN 0.398 nan 8.250 nan 0.000 0.531 58 N N 1.486 120.189 118.700 0.005 0.000 2.491 58 N HA 0.239 4.983 4.740 0.007 0.000 0.274 58 N C -1.767 173.714 175.510 -0.048 0.000 1.023 58 N CA -0.452 52.575 53.050 -0.039 0.000 0.902 58 N CB 2.385 40.846 38.487 -0.043 0.000 1.267 58 N HN -0.057 nan 8.380 nan 0.000 0.503 59 L N 1.612 122.766 121.223 -0.116 0.000 2.381 59 L HA 0.490 4.834 4.340 0.007 0.000 0.274 59 L C -0.916 175.876 176.870 -0.130 0.000 0.988 59 L CA -0.400 54.351 54.840 -0.149 0.000 0.824 59 L CB 1.639 43.487 42.059 -0.351 0.000 1.263 59 L HN 0.351 nan 8.230 nan 0.000 0.410 60 D N 5.463 125.814 120.400 -0.082 0.000 2.414 60 D HA 0.287 4.931 4.640 0.007 0.000 0.232 60 D C -0.456 175.807 176.300 -0.061 0.000 1.070 60 D CA -0.138 53.823 54.000 -0.065 0.000 0.839 60 D CB 1.291 42.066 40.800 -0.042 0.000 1.079 60 D HN 0.684 nan 8.370 nan 0.000 0.521 61 L N 2.741 123.933 121.223 -0.051 0.000 3.141 61 L HA 0.184 4.528 4.340 0.007 0.000 0.267 61 L C 0.533 177.376 176.870 -0.045 0.000 1.281 61 L CA -0.324 54.494 54.840 -0.037 0.000 1.037 61 L CB 0.511 42.593 42.059 0.038 0.000 1.407 61 L HN 0.149 nan 8.230 nan 0.000 0.566 62 S N -0.230 115.442 115.700 -0.047 0.000 2.584 62 S HA 0.230 4.704 4.470 0.007 0.000 0.270 62 S C 0.406 175.007 174.600 0.001 0.000 1.346 62 S CA -0.233 57.912 58.200 -0.093 0.000 1.018 62 S CB 0.143 63.331 63.200 -0.020 0.000 0.899 62 S HN 0.360 nan 8.310 nan 0.000 0.542 63 F N 0.297 120.214 119.950 -0.054 0.000 3.004 63 F HA -0.215 4.316 4.527 0.007 0.000 0.264 63 F C 0.310 176.059 175.800 -0.087 0.000 0.979 63 F CA 0.200 58.162 58.000 -0.063 0.000 0.896 63 F CB -1.562 37.400 39.000 -0.062 0.000 0.813 63 F HN 0.442 nan 8.300 nan 0.000 0.804 64 N N 0.783 119.472 118.700 -0.018 0.000 2.249 64 N HA 0.321 5.065 4.740 0.007 0.000 0.296 64 N C -2.690 172.764 175.510 -0.093 0.000 1.051 64 N CA -1.590 51.426 53.050 -0.055 0.000 0.815 64 N CB 2.450 40.913 38.487 -0.040 0.000 1.487 64 N HN -0.244 nan 8.380 nan 0.000 0.475 65 P HA 0.171 nan 4.420 nan 0.000 0.252 65 P C 0.577 177.789 177.300 -0.146 0.000 1.727 65 P CA -0.074 62.903 63.100 -0.205 0.000 1.134 65 P CB 0.167 31.648 31.700 -0.365 0.000 1.876 66 L N 2.401 123.597 121.223 -0.045 0.000 2.071 66 L HA 0.018 4.362 4.340 0.007 0.000 0.201 66 L C 1.784 178.679 176.870 0.043 0.000 1.076 66 L CA 0.566 55.412 54.840 0.010 0.000 0.755 66 L CB -0.615 41.455 42.059 0.018 0.000 0.915 66 L HN 0.272 nan 8.230 nan 0.000 0.445 67 R N -1.746 118.777 120.500 0.038 0.000 3.953 67 R HA -0.256 4.088 4.340 0.007 0.000 0.448 67 R C -0.205 176.173 176.300 0.129 0.000 1.016 67 R CA 1.396 57.536 56.100 0.066 0.000 1.398 67 R CB -1.824 28.519 30.300 0.071 0.000 2.021 67 R HN 0.470 nan 8.270 nan 0.000 0.538 68 H N -0.527 118.534 119.070 -0.015 0.000 3.277 68 H HA 0.405 4.965 4.556 0.007 0.000 0.329 68 H C -1.754 173.534 175.328 -0.066 0.000 1.034 68 H CA -0.740 55.290 56.048 -0.031 0.000 1.530 68 H CB 0.909 30.658 29.762 -0.022 0.000 1.837 68 H HN 0.001 nan 8.280 nan 0.000 0.493 69 L N 5.167 126.200 121.223 -0.317 0.000 2.272 69 L HA 0.594 4.938 4.340 0.007 0.000 0.284 69 L C 0.763 177.288 176.870 -0.575 0.000 1.045 69 L CA 0.154 54.764 54.840 -0.383 0.000 0.842 69 L CB 0.763 42.662 42.059 -0.267 0.000 1.224 69 L HN 0.824 nan 8.230 nan 0.000 0.430 70 G N 1.830 110.302 108.800 -0.547 0.000 2.535 70 G HA2 0.413 4.377 3.960 0.007 0.000 0.303 70 G HA3 0.413 4.377 3.960 0.007 0.000 0.303 70 G C -0.479 174.259 174.900 -0.269 0.000 1.237 70 G CA -0.582 44.258 45.100 -0.434 0.000 0.986 70 G HN 0.500 nan 8.290 nan 0.000 0.494 71 S N -0.739 114.875 115.700 -0.143 0.000 2.552 71 S HA 0.084 4.558 4.470 0.007 0.000 0.289 71 S C -0.409 174.244 174.600 0.088 0.000 1.304 71 S CA 0.253 58.414 58.200 -0.064 0.000 1.063 71 S CB -0.182 63.059 63.200 0.069 0.000 0.848 71 S HN 0.489 nan 8.310 nan 0.000 0.499 72 Y N 0.638 120.923 120.300 -0.025 0.000 3.225 72 Y HA -0.279 4.275 4.550 0.007 0.000 0.211 72 Y C 1.690 177.641 175.900 0.085 0.000 1.223 72 Y CA 0.476 58.630 58.100 0.090 0.000 1.284 72 Y CB -2.587 35.960 38.460 0.143 0.000 1.367 72 Y HN 0.663 nan 8.280 nan 0.000 0.566 73 S N -1.194 114.443 115.700 -0.106 0.000 2.382 73 S HA -0.059 4.415 4.470 0.007 0.000 0.228 73 S C 0.351 174.571 174.600 -0.633 0.000 1.027 73 S CA 0.889 58.837 58.200 -0.420 0.000 0.991 73 S CB -0.065 62.696 63.200 -0.731 0.000 0.823 73 S HN 0.319 nan 8.310 nan 0.000 0.469 74 F N 1.079 120.998 119.950 -0.052 0.000 2.402 74 F HA 0.450 4.981 4.527 0.007 0.000 0.355 74 F C 0.249 176.098 175.800 0.081 0.000 1.123 74 F CA -1.325 56.673 58.000 -0.003 0.000 1.021 74 F CB 1.166 40.277 39.000 0.185 0.000 1.160 74 F HN 0.084 nan 8.300 nan 0.000 0.451 75 F N -2.358 117.732 119.950 0.233 0.000 2.897 75 F HA 0.195 4.726 4.527 0.007 0.000 0.377 75 F C 1.302 177.082 175.800 -0.034 0.000 0.917 75 F CA -0.163 57.922 58.000 0.140 0.000 1.079 75 F CB -0.594 38.475 39.000 0.115 0.000 1.068 75 F HN 0.102 nan 8.300 nan 0.000 0.581 76 S N 0.648 116.102 115.700 -0.409 0.000 2.547 76 S HA 0.083 4.557 4.470 0.007 0.000 0.235 76 S C -0.295 173.658 174.600 -1.079 0.000 0.980 76 S CA 0.624 58.342 58.200 -0.804 0.000 0.941 76 S CB -0.755 61.602 63.200 -1.404 0.000 0.763 76 S HN 0.333 nan 8.310 nan 0.000 0.532 77 F N 1.076 121.089 119.950 0.106 0.000 2.686 77 F HA 0.368 4.900 4.527 0.007 0.000 0.365 77 F C -2.044 173.864 175.800 0.180 0.000 1.196 77 F CA -2.332 55.739 58.000 0.118 0.000 1.198 77 F CB 1.142 40.182 39.000 0.067 0.000 1.454 77 F HN -0.107 nan 8.300 nan 0.000 0.539 78 P HA -0.022 nan 4.420 nan 0.000 0.235 78 P C 0.725 178.193 177.300 0.280 0.000 1.177 78 P CA 0.864 64.123 63.100 0.266 0.000 0.785 78 P CB 0.645 32.491 31.700 0.243 0.000 0.885 79 E N -0.361 120.024 120.200 0.309 0.000 2.423 79 E HA 0.241 4.595 4.350 0.007 0.000 0.198 79 E C 0.148 176.892 176.600 0.240 0.000 1.038 79 E CA -0.340 56.255 56.400 0.325 0.000 1.011 79 E CB -0.828 29.014 29.700 0.237 0.000 1.118 79 E HN 0.201 nan 8.360 nan 0.000 0.451 80 L N 1.185 122.538 121.223 0.218 0.000 2.416 80 L HA 0.112 4.456 4.340 0.007 0.000 0.272 80 L C 1.131 178.048 176.870 0.079 0.000 1.161 80 L CA 0.455 55.365 54.840 0.116 0.000 0.845 80 L CB 1.001 43.092 42.059 0.055 0.000 1.119 80 L HN 0.281 nan 8.230 nan 0.000 0.464 81 Q N 2.301 122.115 119.800 0.024 0.000 2.422 81 Q HA 0.192 4.536 4.340 0.007 0.000 0.255 81 Q C -0.734 175.237 176.000 -0.050 0.000 0.864 81 Q CA 0.247 56.051 55.803 0.002 0.000 0.968 81 Q CB 1.349 30.086 28.738 -0.002 0.000 1.130 81 Q HN 0.468 nan 8.270 nan 0.000 0.556 82 V N 2.132 122.004 119.914 -0.070 0.000 2.482 82 V HA 0.377 4.501 4.120 0.007 0.000 0.295 82 V C -1.236 174.775 176.094 -0.138 0.000 1.026 82 V CA -0.788 61.453 62.300 -0.098 0.000 0.856 82 V CB 1.897 33.672 31.823 -0.079 0.000 1.001 82 V HN 0.099 nan 8.190 nan 0.000 0.424 83 L N 3.673 124.793 121.223 -0.172 0.000 2.343 83 L HA 0.704 5.048 4.340 0.007 0.000 0.278 83 L C -0.738 176.041 176.870 -0.153 0.000 0.996 83 L CA 0.143 54.853 54.840 -0.215 0.000 0.831 83 L CB 1.621 43.481 42.059 -0.332 0.000 1.232 83 L HN 0.650 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 4.929 4.640 0.007 0.000 0.226 84 D C -0.239 176.025 176.300 -0.060 0.000 1.076 84 D CA -0.033 53.918 54.000 -0.082 0.000 0.849 84 D CB 0.941 41.699 40.800 -0.069 0.000 1.052 84 D HN 0.636 nan 8.370 nan 0.000 0.515 85 L N 2.506 123.706 121.223 -0.038 0.000 3.094 85 L HA 0.205 4.549 4.340 0.007 0.000 0.254 85 L C 0.565 177.387 176.870 -0.080 0.000 1.298 85 L CA -0.321 54.512 54.840 -0.012 0.000 1.050 85 L CB 0.406 42.519 42.059 0.090 0.000 1.420 85 L HN 0.112 nan 8.230 nan 0.000 0.548 86 S N 0.582 116.194 115.700 -0.148 0.000 2.537 86 S HA 0.113 4.587 4.470 0.007 0.000 0.286 86 S C 0.724 175.043 174.600 -0.468 0.000 1.299 86 S CA -0.177 57.873 58.200 -0.252 0.000 1.067 86 S CB 0.346 63.398 63.200 -0.247 0.000 0.864 86 S HN 0.457 nan 8.310 nan 0.000 0.494 87 R N 1.815 122.070 120.500 -0.408 0.000 3.127 87 R HA -0.171 4.173 4.340 0.007 0.000 0.247 87 R C -0.460 175.633 176.300 -0.344 0.000 0.896 87 R CA 0.306 56.136 56.100 -0.450 0.000 0.624 87 R CB -2.297 27.477 30.300 -0.877 0.000 1.154 87 R HN 0.709 nan 8.270 nan 0.000 0.474 88 C N 0.615 119.807 119.300 -0.180 0.000 2.863 88 C HA 0.198 4.662 4.460 0.007 0.000 0.284 88 C C 0.814 175.772 174.990 -0.053 0.000 1.426 88 C CA 0.061 59.016 59.018 -0.104 0.000 1.782 88 C CB -0.722 26.983 27.740 -0.058 0.000 2.554 88 C HN 0.847 nan 8.230 nan 0.000 0.566 89 E N 0.118 120.288 120.200 -0.049 0.000 2.971 89 E HA -0.245 4.109 4.350 0.007 0.000 0.271 89 E C -0.039 176.564 176.600 0.005 0.000 1.053 89 E CA 0.433 56.823 56.400 -0.017 0.000 0.817 89 E CB -1.114 28.579 29.700 -0.012 0.000 1.410 89 E HN 0.723 nan 8.360 nan 0.000 0.445 90 I N 1.457 122.033 120.570 0.009 0.000 2.769 90 I HA -0.145 4.029 4.170 0.007 0.000 0.285 90 I C 1.802 177.945 176.117 0.043 0.000 1.173 90 I CA 0.978 62.298 61.300 0.034 0.000 1.389 90 I CB 0.274 38.302 38.000 0.046 0.000 1.404 90 I HN 0.206 nan 8.210 nan 0.000 0.544 91 Q N 4.134 123.967 119.800 0.056 0.000 2.349 91 Q HA 0.048 4.392 4.340 0.007 0.000 0.209 91 Q C 0.004 176.045 176.000 0.069 0.000 0.920 91 Q CA 0.669 56.505 55.803 0.056 0.000 0.901 91 Q CB 0.690 29.457 28.738 0.049 0.000 1.021 91 Q HN 0.828 nan 8.270 nan 0.000 0.519 92 T N -1.602 113.009 114.554 0.095 0.000 3.032 92 T HA 0.581 4.935 4.350 0.007 0.000 0.312 92 T C -0.649 174.060 174.700 0.015 0.000 1.078 92 T CA -0.703 61.451 62.100 0.089 0.000 1.028 92 T CB 1.311 70.273 68.868 0.157 0.000 1.091 92 T HN 0.075 nan 8.240 nan 0.000 0.457 93 I N 2.536 123.075 120.570 -0.052 0.000 2.406 93 I HA 0.424 4.598 4.170 0.007 0.000 0.290 93 I C 0.336 176.346 176.117 -0.179 0.000 0.999 93 I CA -0.830 60.374 61.300 -0.161 0.000 1.124 93 I CB 1.941 39.843 38.000 -0.164 0.000 1.289 93 I HN 0.705 nan 8.210 nan 0.000 0.441 94 E N 4.168 124.227 120.200 -0.234 0.000 2.302 94 E HA 0.254 4.608 4.350 0.007 0.000 0.255 94 E C -0.906 175.577 176.600 -0.195 0.000 1.099 94 E CA -0.941 55.353 56.400 -0.177 0.000 0.929 94 E CB 0.920 30.524 29.700 -0.160 0.000 1.203 94 E HN 0.436 nan 8.360 nan 0.000 0.459 95 D N 0.669 120.984 120.400 -0.142 0.000 2.493 95 D HA 0.060 4.704 4.640 0.007 0.000 0.240 95 D C 0.430 176.624 176.300 -0.176 0.000 1.142 95 D CA 0.912 54.828 54.000 -0.140 0.000 0.872 95 D CB 0.569 41.315 40.800 -0.091 0.000 1.173 95 D HN 0.726 nan 8.370 nan 0.000 0.467 96 G N 2.418 111.101 108.800 -0.193 0.000 2.370 96 G HA2 -0.183 3.781 3.960 0.007 0.000 0.293 96 G HA3 -0.183 3.781 3.960 0.007 0.000 0.293 96 G C 0.955 175.643 174.900 -0.354 0.000 0.992 96 G CA 0.243 45.183 45.100 -0.266 0.000 1.247 96 G HN 0.648 nan 8.290 nan 0.000 0.505 97 A N -0.163 122.457 122.820 -0.333 0.000 1.984 97 A HA 0.403 4.727 4.320 0.007 0.000 0.214 97 A C 1.358 178.699 177.584 -0.406 0.000 1.173 97 A CA 1.509 53.261 52.037 -0.475 0.000 0.673 97 A CB 0.125 18.701 19.000 -0.707 0.000 0.830 97 A HN 0.860 nan 8.150 nan 0.000 0.453 98 Y N -0.913 119.399 120.300 0.018 0.000 2.720 98 Y HA 0.280 4.834 4.550 0.007 0.000 0.277 98 Y C 1.671 177.575 175.900 0.006 0.000 1.144 98 Y CA -0.304 57.868 58.100 0.121 0.000 1.221 98 Y CB -0.014 38.526 38.460 0.133 0.000 1.163 98 Y HN 0.288 nan 8.280 nan 0.000 0.537 99 Q N 1.869 121.625 119.800 -0.073 0.000 2.217 99 Q HA -0.185 4.159 4.340 0.007 0.000 0.209 99 Q C 1.708 177.720 176.000 0.019 0.000 0.988 99 Q CA 2.198 57.904 55.803 -0.161 0.000 0.878 99 Q CB -0.169 28.171 28.738 -0.663 0.000 0.909 99 Q HN 0.410 nan 8.270 nan 0.000 0.424 100 S N -1.500 114.279 115.700 0.130 0.000 2.583 100 S HA 0.268 4.742 4.470 0.007 0.000 0.239 100 S C 0.132 174.828 174.600 0.159 0.000 0.966 100 S CA -0.451 57.867 58.200 0.197 0.000 0.973 100 S CB -0.041 63.350 63.200 0.319 0.000 0.794 100 S HN 0.274 nan 8.310 nan 0.000 0.463 101 L N 2.708 124.011 121.223 0.133 0.000 2.719 101 L HA 0.342 4.686 4.340 0.007 0.000 0.236 101 L C 1.425 178.298 176.870 0.005 0.000 1.221 101 L CA -0.409 54.486 54.840 0.091 0.000 1.048 101 L CB 0.536 42.666 42.059 0.119 0.000 1.364 101 L HN 0.432 nan 8.230 nan 0.000 0.447 102 S N -1.469 114.173 115.700 -0.097 0.000 2.453 102 S HA -0.122 4.351 4.470 0.007 0.000 0.231 102 S C 1.500 176.003 174.600 -0.161 0.000 1.005 102 S CA 0.681 58.779 58.200 -0.169 0.000 0.949 102 S CB -0.194 62.838 63.200 -0.281 0.000 0.774 102 S HN 0.546 nan 8.310 nan 0.000 0.510 103 H N 0.171 119.264 119.070 0.037 0.000 2.592 103 H HA 0.377 4.937 4.556 0.007 0.000 0.265 103 H C 0.456 175.780 175.328 -0.008 0.000 0.955 103 H CA -0.406 55.653 56.048 0.019 0.000 1.175 103 H CB -0.341 29.441 29.762 0.033 0.000 1.433 103 H HN 0.342 nan 8.280 nan 0.000 0.537 104 L N 2.814 124.079 121.223 0.069 0.000 2.559 104 L HA -0.055 4.289 4.340 0.007 0.000 0.274 104 L C 1.233 178.078 176.870 -0.041 0.000 1.205 104 L CA 0.382 55.215 54.840 -0.010 0.000 0.907 104 L CB 0.633 42.651 42.059 -0.068 0.000 1.153 104 L HN 0.097 nan 8.230 nan 0.000 0.490 105 S N 0.684 116.352 115.700 -0.053 0.000 2.524 105 S HA 0.254 4.728 4.470 0.007 0.000 0.222 105 S C 0.530 175.070 174.600 -0.100 0.000 1.040 105 S CA 0.049 58.208 58.200 -0.067 0.000 0.915 105 S CB 0.205 63.378 63.200 -0.045 0.000 0.831 105 S HN 0.621 nan 8.310 nan 0.000 0.492 106 T N 2.803 117.290 114.554 -0.112 0.000 2.879 106 T HA 0.670 5.024 4.350 0.007 0.000 0.290 106 T C -1.758 172.846 174.700 -0.161 0.000 0.993 106 T CA -0.408 61.615 62.100 -0.127 0.000 0.975 106 T CB 1.812 70.619 68.868 -0.101 0.000 0.981 106 T HN 0.242 nan 8.240 nan 0.000 0.439 107 L N 4.805 125.918 121.223 -0.183 0.000 2.406 107 L HA 0.703 5.047 4.340 0.007 0.000 0.272 107 L C -1.569 175.218 176.870 -0.138 0.000 0.980 107 L CA -0.643 54.074 54.840 -0.206 0.000 0.831 107 L CB 1.024 42.892 42.059 -0.317 0.000 1.253 107 L HN 0.658 nan 8.230 nan 0.000 0.406 108 I N 6.525 127.037 120.570 -0.097 0.000 2.382 108 I HA 0.317 4.491 4.170 0.007 0.000 0.286 108 I C 0.042 176.144 176.117 -0.024 0.000 1.002 108 I CA -0.286 60.978 61.300 -0.060 0.000 1.135 108 I CB 1.523 39.484 38.000 -0.064 0.000 1.288 108 I HN 0.581 nan 8.210 nan 0.000 0.448 109 L N 4.951 126.179 121.223 0.008 0.000 3.202 109 L HA 0.217 4.561 4.340 0.007 0.000 0.278 109 L C 0.317 177.192 176.870 0.009 0.000 1.268 109 L CA -0.091 54.775 54.840 0.043 0.000 1.034 109 L CB 0.343 42.481 42.059 0.133 0.000 1.407 109 L HN 0.576 nan 8.230 nan 0.000 0.581 110 T N 1.117 115.656 114.554 -0.026 0.000 2.891 110 T HA 0.156 4.510 4.350 0.007 0.000 0.296 110 T C 1.266 175.923 174.700 -0.072 0.000 1.025 110 T CA 1.129 63.205 62.100 -0.040 0.000 1.149 110 T CB 0.585 69.427 68.868 -0.043 0.000 1.007 110 T HN 0.656 nan 8.240 nan 0.000 0.528 111 G N 3.281 112.043 108.800 -0.063 0.000 2.246 111 G HA2 -0.234 3.730 3.960 0.007 0.000 0.273 111 G HA3 -0.234 3.730 3.960 0.007 0.000 0.273 111 G C -0.065 174.791 174.900 -0.073 0.000 1.055 111 G CA -0.533 44.520 45.100 -0.080 0.000 0.851 111 G HN 0.742 nan 8.290 nan 0.000 0.500 112 N N 0.650 119.325 118.700 -0.042 0.000 2.400 112 N HA 0.423 5.167 4.740 0.007 0.000 0.288 112 N C -2.527 172.980 175.510 -0.005 0.000 1.024 112 N CA -1.512 51.526 53.050 -0.019 0.000 0.894 112 N CB 2.391 40.886 38.487 0.013 0.000 1.173 112 N HN 0.055 nan 8.380 nan 0.000 0.487 113 P HA 0.202 nan 4.420 nan 0.000 0.244 113 P C -0.044 177.270 177.300 0.023 0.000 1.769 113 P CA 0.023 63.124 63.100 0.002 0.000 1.102 113 P CB -0.147 31.553 31.700 0.000 0.000 1.937 114 I N 2.870 123.463 120.570 0.038 0.000 2.471 114 I HA 0.018 4.192 4.170 0.007 0.000 0.286 114 I C 1.622 177.771 176.117 0.053 0.000 1.079 114 I CA 0.101 61.437 61.300 0.059 0.000 1.398 114 I CB 1.028 39.086 38.000 0.097 0.000 1.403 114 I HN 0.198 nan 8.210 nan 0.000 0.530 115 Q N 3.027 122.858 119.800 0.051 0.000 2.462 115 Q HA 0.169 4.513 4.340 0.007 0.000 0.224 115 Q C 0.341 176.371 176.000 0.050 0.000 0.911 115 Q CA 0.512 56.342 55.803 0.044 0.000 0.925 115 Q CB 0.793 29.552 28.738 0.035 0.000 1.063 115 Q HN 0.606 nan 8.270 nan 0.000 0.572 116 S N 0.529 116.260 115.700 0.051 0.000 2.605 116 S HA 0.520 4.994 4.470 0.007 0.000 0.308 116 S C -1.613 173.008 174.600 0.034 0.000 1.113 116 S CA -0.497 57.730 58.200 0.045 0.000 1.049 116 S CB 0.654 63.878 63.200 0.040 0.000 1.001 116 S HN 0.106 nan 8.310 nan 0.000 0.480 117 L N 5.210 126.454 121.223 0.034 0.000 2.353 117 L HA 0.710 5.054 4.340 0.007 0.000 0.270 117 L C 0.272 177.118 176.870 -0.040 0.000 1.003 117 L CA -0.195 54.643 54.840 -0.003 0.000 0.862 117 L CB 0.821 42.925 42.059 0.075 0.000 1.221 117 L HN 0.802 nan 8.230 nan 0.000 0.430 118 A N 4.003 126.770 122.820 -0.088 0.000 2.565 118 A HA 0.031 4.355 4.320 0.007 0.000 0.237 118 A C 1.454 178.982 177.584 -0.094 0.000 1.053 118 A CA 0.252 52.237 52.037 -0.086 0.000 0.755 118 A CB 0.031 18.964 19.000 -0.111 0.000 0.980 118 A HN 0.973 nan 8.150 nan 0.000 0.506 119 L N 2.190 123.381 121.223 -0.054 0.000 2.197 119 L HA -0.157 4.187 4.340 0.007 0.000 0.215 119 L C 1.590 178.420 176.870 -0.066 0.000 1.095 119 L CA 1.783 56.599 54.840 -0.041 0.000 0.764 119 L CB -0.007 42.037 42.059 -0.025 0.000 0.897 119 L HN 0.835 nan 8.230 nan 0.000 0.436 120 G N -2.525 106.216 108.800 -0.098 0.000 4.864 120 G HA2 0.411 4.375 3.960 0.007 0.000 0.280 120 G HA3 0.411 4.375 3.960 0.007 0.000 0.280 120 G C 0.792 175.606 174.900 -0.143 0.000 1.239 120 G CA 0.303 45.336 45.100 -0.113 0.000 0.951 120 G HN 0.323 nan 8.290 nan 0.000 0.583 121 A N 0.201 122.875 122.820 -0.244 0.000 1.929 121 A HA 0.220 4.544 4.320 0.007 0.000 0.216 121 A C 1.266 178.658 177.584 -0.320 0.000 1.176 121 A CA 0.819 52.618 52.037 -0.397 0.000 0.628 121 A CB -0.265 18.332 19.000 -0.672 0.000 0.816 121 A HN 0.354 nan 8.150 nan 0.000 0.444 122 F N 1.272 121.273 119.950 0.085 0.000 2.713 122 F HA 0.184 4.715 4.527 0.007 0.000 0.294 122 F C 1.145 177.066 175.800 0.201 0.000 1.152 122 F CA -0.347 57.716 58.000 0.105 0.000 1.385 122 F CB -0.373 38.584 39.000 -0.071 0.000 0.981 122 F HN 0.108 nan 8.300 nan 0.000 0.514 123 S N -0.709 115.122 115.700 0.219 0.000 2.523 123 S HA 0.601 5.075 4.470 0.007 0.000 0.275 123 S C 1.110 175.769 174.600 0.099 0.000 1.281 123 S CA 0.123 58.386 58.200 0.105 0.000 1.050 123 S CB 1.406 64.550 63.200 -0.093 0.000 0.937 123 S HN 0.669 nan 8.310 nan 0.000 0.492 124 G N 1.656 110.515 108.800 0.098 0.000 2.278 124 G HA2 -0.187 3.777 3.960 0.007 0.000 0.210 124 G HA3 -0.187 3.777 3.960 0.007 0.000 0.210 124 G C -0.014 174.926 174.900 0.068 0.000 1.000 124 G CA -0.253 44.887 45.100 0.067 0.000 0.635 124 G HN 0.666 nan 8.290 nan 0.000 0.495 125 L N 3.778 125.053 121.223 0.086 0.000 2.437 125 L HA 0.362 4.706 4.340 0.007 0.000 0.243 125 L C 1.976 178.846 176.870 0.000 0.000 1.346 125 L CA 0.963 55.813 54.840 0.016 0.000 1.233 125 L CB -0.677 41.358 42.059 -0.040 0.000 1.436 125 L HN 0.509 nan 8.230 nan 0.000 0.416 126 S N -2.212 113.495 115.700 0.011 0.000 2.603 126 S HA -0.019 4.455 4.470 0.007 0.000 0.229 126 S C 1.232 175.827 174.600 -0.009 0.000 0.972 126 S CA 0.361 58.566 58.200 0.009 0.000 0.935 126 S CB 0.081 63.288 63.200 0.013 0.000 0.769 126 S HN 0.448 nan 8.310 nan 0.000 0.536 127 S N 0.338 116.028 115.700 -0.018 0.000 2.780 127 S HA 0.370 4.844 4.470 0.007 0.000 0.248 127 S C -0.161 174.411 174.600 -0.047 0.000 1.036 127 S CA -0.599 57.592 58.200 -0.015 0.000 1.061 127 S CB 0.116 63.332 63.200 0.028 0.000 1.037 127 S HN 0.399 nan 8.310 nan 0.000 0.584 128 L N 2.900 124.074 121.223 -0.083 0.000 2.477 128 L HA 0.172 4.516 4.340 0.007 0.000 0.272 128 L C 1.024 177.822 176.870 -0.120 0.000 1.157 128 L CA 1.044 55.810 54.840 -0.124 0.000 0.889 128 L CB 0.442 42.388 42.059 -0.189 0.000 1.158 128 L HN 0.184 nan 8.230 nan 0.000 0.473 129 Q N 3.022 122.759 119.800 -0.104 0.000 2.442 129 Q HA 0.132 4.476 4.340 0.007 0.000 0.228 129 Q C 0.047 175.991 176.000 -0.093 0.000 0.902 129 Q CA 0.268 56.019 55.803 -0.087 0.000 0.933 129 Q CB 0.722 29.422 28.738 -0.062 0.000 1.071 129 Q HN 0.527 nan 8.270 nan 0.000 0.562 130 K N 1.268 121.604 120.400 -0.106 0.000 2.450 130 K HA 0.359 4.683 4.320 0.007 0.000 0.257 130 K C -1.864 174.655 176.600 -0.135 0.000 0.953 130 K CA -0.511 55.715 56.287 -0.103 0.000 0.844 130 K CB 1.251 33.697 32.500 -0.089 0.000 1.103 130 K HN -0.087 nan 8.250 nan 0.000 0.429 131 L N 5.552 126.695 121.223 -0.133 0.000 2.319 131 L HA 0.408 4.752 4.340 0.007 0.000 0.281 131 L C -1.565 175.257 176.870 -0.079 0.000 1.005 131 L CA -0.537 54.205 54.840 -0.162 0.000 0.828 131 L CB 1.769 43.681 42.059 -0.244 0.000 1.227 131 L HN 0.365 nan 8.230 nan 0.000 0.415 132 V N 5.170 125.045 119.914 -0.066 0.000 2.311 132 V HA 0.678 4.802 4.120 0.007 0.000 0.275 132 V C 0.626 176.726 176.094 0.010 0.000 1.022 132 V CA -0.035 62.249 62.300 -0.026 0.000 0.830 132 V CB 0.922 32.722 31.823 -0.038 0.000 1.012 132 V HN 0.900 nan 8.190 nan 0.000 0.452 133 A N 4.806 127.648 122.820 0.036 0.000 2.985 133 A HA 0.595 4.919 4.320 0.007 0.000 0.303 133 A C -0.043 177.544 177.584 0.005 0.000 1.048 133 A CA -0.283 51.791 52.037 0.062 0.000 1.016 133 A CB 0.223 19.310 19.000 0.146 0.000 1.118 133 A HN 0.557 nan 8.150 nan 0.000 0.529 134 V N 1.064 120.980 119.914 0.003 0.000 2.555 134 V HA 0.131 4.255 4.120 0.007 0.000 0.286 134 V C 0.989 177.069 176.094 -0.024 0.000 1.044 134 V CA 0.300 62.603 62.300 0.005 0.000 1.026 134 V CB 0.619 32.458 31.823 0.026 0.000 0.981 134 V HN 0.953 nan 8.190 nan 0.000 0.480 135 E N 3.309 123.469 120.200 -0.068 0.000 2.273 135 E HA -0.237 4.117 4.350 0.007 0.000 0.177 135 E C 0.420 176.949 176.600 -0.118 0.000 1.511 135 E CA 0.702 56.979 56.400 -0.206 0.000 0.675 135 E CB -0.652 28.839 29.700 -0.349 0.000 1.094 135 E HN 1.051 nan 8.360 nan 0.000 0.348 136 T N -0.233 114.277 114.554 -0.073 0.000 3.339 136 T HA 0.248 4.602 4.350 0.007 0.000 0.292 136 T C 0.507 175.199 174.700 -0.013 0.000 1.012 136 T CA 0.124 62.213 62.100 -0.019 0.000 0.937 136 T CB 0.156 69.050 68.868 0.042 0.000 1.164 136 T HN 0.410 nan 8.240 nan 0.000 0.509 137 N N 0.229 118.901 118.700 -0.047 0.000 2.778 137 N HA -0.163 4.581 4.740 0.007 0.000 0.249 137 N C -0.149 175.351 175.510 -0.016 0.000 1.069 137 N CA 0.469 53.501 53.050 -0.029 0.000 0.831 137 N CB -1.727 36.756 38.487 -0.006 0.000 1.142 137 N HN 0.759 nan 8.380 nan 0.000 0.573 138 L N -0.021 121.178 121.223 -0.039 0.000 2.562 138 L HA 0.167 4.511 4.340 0.007 0.000 0.271 138 L C 1.355 178.199 176.870 -0.043 0.000 1.167 138 L CA 0.611 55.413 54.840 -0.063 0.000 0.917 138 L CB 0.321 42.258 42.059 -0.203 0.000 1.187 138 L HN 0.313 nan 8.230 nan 0.000 0.482 139 A N 3.295 126.112 122.820 -0.005 0.000 2.115 139 A HA 0.172 4.496 4.320 0.007 0.000 0.211 139 A C 0.759 178.356 177.584 0.021 0.000 1.169 139 A CA 0.451 52.495 52.037 0.011 0.000 0.787 139 A CB 0.272 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 -1.509 114.208 115.700 0.029 0.000 2.543 140 S HA 0.452 4.926 4.470 0.007 0.000 0.271 140 S C -0.094 174.552 174.600 0.076 0.000 1.148 140 S CA -0.566 57.665 58.200 0.051 0.000 0.914 140 S CB 1.135 64.379 63.200 0.073 0.000 1.096 140 S HN 0.152 nan 8.310 nan 0.000 0.471 141 L N 3.761 125.031 121.223 0.078 0.000 2.376 141 L HA 0.220 4.564 4.340 0.007 0.000 0.219 141 L C 2.228 179.277 176.870 0.298 0.000 1.133 141 L CA 1.534 56.471 54.840 0.161 0.000 0.816 141 L CB -0.434 41.682 42.059 0.094 0.000 0.933 141 L HN 0.724 nan 8.230 nan 0.000 0.449 142 E N 0.098 120.416 120.200 0.195 0.000 2.058 142 E HA -0.182 4.172 4.350 0.007 0.000 0.194 142 E C 1.250 178.045 176.600 0.326 0.000 0.997 142 E CA 1.251 57.782 56.400 0.218 0.000 0.801 142 E CB -0.215 29.559 29.700 0.123 0.000 0.746 142 E HN 0.575 nan 8.360 nan 0.000 0.450 143 N N -0.130 118.739 118.700 0.282 0.000 2.270 143 N HA -0.026 4.718 4.740 0.007 0.000 0.198 143 N C -0.173 175.531 175.510 0.322 0.000 1.117 143 N CA -0.130 53.077 53.050 0.261 0.000 0.845 143 N CB 0.065 38.661 38.487 0.182 0.000 0.980 143 N HN -0.015 nan 8.380 nan 0.000 0.486 144 F N 4.953 125.024 119.950 0.201 0.000 2.519 144 F HA 0.137 4.668 4.527 0.007 0.000 0.375 144 F C -1.535 174.295 175.800 0.050 0.000 1.084 144 F CA -2.645 55.458 58.000 0.171 0.000 1.147 144 F CB 0.594 39.726 39.000 0.220 0.000 1.088 144 F HN -0.031 nan 8.300 nan 0.000 0.555 145 P HA 0.028 nan 4.420 nan 0.000 0.235 145 P C 0.453 177.676 177.300 -0.129 0.000 1.765 145 P CA 0.586 63.626 63.100 -0.101 0.000 1.034 145 P CB -0.698 30.991 31.700 -0.019 0.000 1.984 146 I N -3.490 116.827 120.570 -0.422 0.000 4.327 146 I HA 0.317 4.491 4.170 0.007 0.000 0.331 146 I C 1.804 177.588 176.117 -0.555 0.000 1.348 146 I CA -0.179 60.815 61.300 -0.511 0.000 1.152 146 I CB -0.324 37.378 38.000 -0.497 0.000 1.151 146 I HN -0.072 nan 8.210 nan 0.000 0.410 147 G N 2.658 111.074 108.800 -0.639 0.000 2.591 147 G HA2 -0.270 3.694 3.960 0.007 0.000 0.218 147 G HA3 -0.270 3.694 3.960 0.007 0.000 0.218 147 G C 1.399 176.256 174.900 -0.072 0.000 1.113 147 G CA 1.497 46.394 45.100 -0.338 0.000 0.740 147 G HN 0.795 nan 8.290 nan 0.000 0.569 148 H N -1.361 117.634 119.070 -0.125 0.000 2.705 148 H HA 0.223 4.783 4.556 0.007 0.000 0.269 148 H C 0.759 176.045 175.328 -0.069 0.000 0.998 148 H CA -0.539 55.468 56.048 -0.068 0.000 1.193 148 H CB -0.243 29.487 29.762 -0.053 0.000 1.485 148 H HN 0.193 nan 8.280 nan 0.000 0.521 149 L N 4.216 125.135 121.223 -0.506 0.000 2.415 149 L HA 0.100 4.444 4.340 0.007 0.000 0.269 149 L C 1.885 178.639 176.870 -0.194 0.000 1.244 149 L CA -0.243 54.387 54.840 -0.349 0.000 1.113 149 L CB 0.531 42.327 42.059 -0.439 0.000 1.352 149 L HN 0.265 nan 8.230 nan 0.000 0.433 150 K N -0.051 120.285 120.400 -0.107 0.000 2.211 150 K HA -0.125 4.199 4.320 0.007 0.000 0.203 150 K C 1.477 178.031 176.600 -0.077 0.000 1.050 150 K CA 1.627 57.870 56.287 -0.073 0.000 0.945 150 K CB -0.231 32.249 32.500 -0.033 0.000 0.732 150 K HN 0.551 nan 8.250 nan 0.000 0.451 151 T N -0.390 114.117 114.554 -0.079 0.000 3.118 151 T HA 0.044 4.398 4.350 0.007 0.000 0.260 151 T C 0.763 175.412 174.700 -0.085 0.000 1.139 151 T CA -0.372 61.686 62.100 -0.069 0.000 1.085 151 T CB -0.263 68.572 68.868 -0.055 0.000 0.934 151 T HN 0.107 nan 8.240 nan 0.000 0.518 152 L N 2.185 123.338 121.223 -0.117 0.000 2.654 152 L HA 0.172 4.516 4.340 0.007 0.000 0.271 152 L C 1.162 177.977 176.870 -0.093 0.000 1.169 152 L CA 0.458 55.222 54.840 -0.127 0.000 0.947 152 L CB 0.208 42.163 42.059 -0.173 0.000 1.232 152 L HN 0.106 nan 8.230 nan 0.000 0.486 153 K N 3.320 123.683 120.400 -0.063 0.000 2.141 153 K HA 0.074 4.398 4.320 0.007 0.000 0.202 153 K C -0.202 176.412 176.600 0.022 0.000 1.045 153 K CA 0.813 57.087 56.287 -0.022 0.000 0.971 153 K CB 0.263 32.763 32.500 -0.000 0.000 0.795 153 K HN 0.766 nan 8.250 nan 0.000 0.459 154 E N 1.149 121.358 120.200 0.015 0.000 2.272 154 E HA 0.307 4.661 4.350 0.007 0.000 0.269 154 E C -1.301 175.301 176.600 0.004 0.000 0.877 154 E CA -0.707 55.725 56.400 0.055 0.000 0.755 154 E CB 1.748 31.487 29.700 0.064 0.000 1.192 154 E HN -0.118 nan 8.360 nan 0.000 0.422 155 L N 3.789 125.033 121.223 0.035 0.000 2.377 155 L HA 0.435 4.779 4.340 0.007 0.000 0.270 155 L C -1.372 175.534 176.870 0.061 0.000 0.991 155 L CA -0.388 54.473 54.840 0.035 0.000 0.851 155 L CB 1.068 43.157 42.059 0.051 0.000 1.218 155 L HN 0.868 nan 8.230 nan 0.000 0.420 156 N N 4.309 123.029 118.700 0.033 0.000 2.485 156 N HA 0.363 5.107 4.740 0.007 0.000 0.243 156 N C -0.076 175.445 175.510 0.017 0.000 0.987 156 N CA -0.374 52.692 53.050 0.027 0.000 0.940 156 N CB 1.152 39.641 38.487 0.003 0.000 1.122 156 N HN 0.482 nan 8.380 nan 0.000 0.509 157 V N 1.613 121.536 119.914 0.014 0.000 2.727 157 V HA 0.575 4.699 4.120 0.007 0.000 0.336 157 V C 0.381 176.471 176.094 -0.007 0.000 1.228 157 V CA -0.755 61.527 62.300 -0.030 0.000 1.270 157 V CB -0.131 31.638 31.823 -0.091 0.000 1.486 157 V HN 0.531 nan 8.190 nan 0.000 0.638 158 A N 0.077 122.907 122.820 0.018 0.000 2.286 158 A HA 0.664 4.987 4.320 0.007 0.000 0.286 158 A C 0.633 178.279 177.584 0.104 0.000 1.097 158 A CA 0.093 52.152 52.037 0.038 0.000 0.821 158 A CB -0.163 18.849 19.000 0.020 0.000 1.076 158 A HN 1.318 nan 8.150 nan 0.000 0.490 159 H N -0.190 118.853 119.070 -0.045 0.000 2.889 159 H HA -0.126 4.434 4.556 0.007 0.000 0.324 159 H C -0.435 174.870 175.328 -0.038 0.000 1.274 159 H CA 0.521 56.542 56.048 -0.045 0.000 1.176 159 H CB -1.112 28.622 29.762 -0.047 0.000 1.479 159 H HN 0.770 nan 8.280 nan 0.000 0.438 160 N N 0.206 118.944 118.700 0.064 0.000 2.831 160 N HA 0.268 5.012 4.740 0.007 0.000 0.276 160 N C 0.608 176.122 175.510 0.006 0.000 1.416 160 N CA -0.607 52.437 53.050 -0.010 0.000 0.799 160 N CB 1.111 39.572 38.487 -0.043 0.000 1.554 160 N HN 0.151 nan 8.380 nan 0.000 0.541 161 L N 1.007 122.225 121.223 -0.008 0.000 2.688 161 L HA 0.392 4.736 4.340 0.007 0.000 0.234 161 L C 0.493 177.371 176.870 0.014 0.000 1.192 161 L CA 0.095 54.940 54.840 0.007 0.000 0.984 161 L CB -0.490 41.572 42.059 0.004 0.000 1.232 161 L HN 0.272 nan 8.230 nan 0.000 0.465 162 I N 0.485 121.062 120.570 0.012 0.000 2.618 162 I HA -0.091 4.083 4.170 0.007 0.000 0.284 162 I C 1.064 177.203 176.117 0.037 0.000 1.146 162 I CA 0.604 61.919 61.300 0.024 0.000 1.425 162 I CB 0.943 38.957 38.000 0.024 0.000 1.383 162 I HN 0.356 nan 8.210 nan 0.000 0.562 163 Q N 2.776 122.605 119.800 0.048 0.000 2.353 163 Q HA 0.123 4.467 4.340 0.007 0.000 0.240 163 Q C 0.403 176.449 176.000 0.077 0.000 0.868 163 Q CA 0.064 55.901 55.803 0.057 0.000 0.944 163 Q CB 0.931 29.704 28.738 0.059 0.000 1.104 163 Q HN 0.702 nan 8.270 nan 0.000 0.531 164 S N -1.022 114.730 115.700 0.086 0.000 2.537 164 S HA 0.343 4.817 4.470 0.007 0.000 0.301 164 S C -0.428 174.263 174.600 0.152 0.000 1.092 164 S CA -0.743 57.523 58.200 0.111 0.000 1.048 164 S CB 0.752 64.006 63.200 0.089 0.000 1.053 164 S HN 0.371 nan 8.310 nan 0.000 0.501 165 F N 2.849 122.779 119.950 -0.034 0.000 2.749 165 F HA 0.413 4.944 4.527 0.007 0.000 0.300 165 F C 1.092 176.828 175.800 -0.105 0.000 1.103 165 F CA -0.474 57.488 58.000 -0.064 0.000 1.342 165 F CB 0.125 39.090 39.000 -0.058 0.000 1.098 165 F HN 0.506 nan 8.300 nan 0.000 0.586 166 K N 3.202 123.513 120.400 -0.150 0.000 2.319 166 K HA 0.055 4.379 4.320 0.007 0.000 0.277 166 K C -0.347 176.021 176.600 -0.388 0.000 1.111 166 K CA -0.145 55.981 56.287 -0.267 0.000 1.093 166 K CB -0.073 32.364 32.500 -0.104 0.000 0.910 166 K HN 0.325 nan 8.250 nan 0.000 0.452 167 L N 7.128 127.979 121.223 -0.620 0.000 2.490 167 L HA 0.104 4.448 4.340 0.007 0.000 0.274 167 L C -1.854 174.628 176.870 -0.646 0.000 1.201 167 L CA -1.829 52.516 54.840 -0.825 0.000 0.869 167 L CB 0.294 41.712 42.059 -1.068 0.000 1.123 167 L HN 0.539 nan 8.230 nan 0.000 0.484 168 P HA 0.003 nan 4.420 nan 0.000 0.271 168 P C 0.254 177.315 177.300 -0.398 0.000 1.233 168 P CA -0.304 62.493 63.100 -0.505 0.000 0.789 168 P CB 0.585 31.819 31.700 -0.778 0.000 0.951 169 E N 0.649 120.735 120.200 -0.191 0.000 2.106 169 E HA -0.162 4.192 4.350 0.007 0.000 0.192 169 E C 1.753 178.380 176.600 0.045 0.000 0.984 169 E CA 1.398 57.769 56.400 -0.050 0.000 0.806 169 E CB -0.800 28.912 29.700 0.021 0.000 0.750 169 E HN 0.616 nan 8.360 nan 0.000 0.458 170 Y N -1.289 119.111 120.300 0.166 0.000 2.651 170 Y HA -0.090 4.464 4.550 0.007 0.000 0.293 170 Y C 1.720 177.729 175.900 0.182 0.000 1.151 170 Y CA 0.150 58.344 58.100 0.157 0.000 1.362 170 Y CB -1.087 37.460 38.460 0.144 0.000 0.973 170 Y HN -0.160 nan 8.280 nan 0.000 0.561 171 F N 1.004 120.872 119.950 -0.136 0.000 2.408 171 F HA -0.163 4.368 4.527 0.006 0.000 0.300 171 F C 2.283 178.092 175.800 0.016 0.000 1.090 171 F CA 0.979 58.950 58.000 -0.048 0.000 1.427 171 F CB -0.519 38.382 39.000 -0.166 0.000 1.070 171 F HN 0.156 nan 8.300 nan 0.000 0.549 172 S N 0.009 115.806 115.700 0.161 0.000 2.338 172 S HA -0.184 4.290 4.470 0.007 0.000 0.218 172 S C 1.781 176.420 174.600 0.065 0.000 1.032 172 S CA 1.323 59.581 58.200 0.096 0.000 0.999 172 S CB -0.444 62.806 63.200 0.083 0.000 0.905 172 S HN 0.369 nan 8.310 nan 0.000 0.439 173 N N 1.491 120.240 118.700 0.082 0.000 2.430 173 N HA -0.011 4.733 4.740 0.007 0.000 0.186 173 N C 0.235 175.746 175.510 0.001 0.000 1.032 173 N CA 0.515 53.594 53.050 0.049 0.000 0.893 173 N CB -0.486 38.042 38.487 0.069 0.000 0.957 173 N HN 0.392 nan 8.380 nan 0.000 0.442 174 L N 1.139 122.345 121.223 -0.027 0.000 2.391 174 L HA 0.079 4.423 4.340 0.007 0.000 0.249 174 L C 1.501 178.316 176.870 -0.092 0.000 1.308 174 L CA -0.043 54.726 54.840 -0.118 0.000 1.209 174 L CB 0.047 41.932 42.059 -0.290 0.000 1.401 174 L HN -0.024 nan 8.230 nan 0.000 0.416 175 T N -0.543 113.978 114.554 -0.055 0.000 3.100 175 T HA 0.024 4.378 4.350 0.007 0.000 0.253 175 T C 1.133 175.804 174.700 -0.047 0.000 1.118 175 T CA 0.784 62.861 62.100 -0.038 0.000 1.058 175 T CB -0.048 68.809 68.868 -0.019 0.000 0.953 175 T HN 0.432 nan 8.240 nan 0.000 0.515 176 N N 0.677 119.339 118.700 -0.064 0.000 2.204 176 N HA 0.283 5.027 4.740 0.007 0.000 0.219 176 N C -0.662 174.806 175.510 -0.071 0.000 1.151 176 N CA -0.257 52.756 53.050 -0.061 0.000 0.867 176 N CB 0.394 38.848 38.487 -0.056 0.000 1.043 176 N HN 0.284 nan 8.380 nan 0.000 0.516 177 L N 1.223 122.395 121.223 -0.086 0.000 2.410 177 L HA 0.145 4.489 4.340 0.007 0.000 0.273 177 L C 0.829 177.652 176.870 -0.078 0.000 1.144 177 L CA 0.874 55.662 54.840 -0.086 0.000 0.863 177 L CB 0.529 42.508 42.059 -0.133 0.000 1.140 177 L HN 0.215 nan 8.230 nan 0.000 0.463 178 E N 3.309 123.452 120.200 -0.096 0.000 2.474 178 E HA 0.189 4.543 4.350 0.007 0.000 0.215 178 E C -0.475 175.875 176.600 -0.416 0.000 0.867 178 E CA -0.120 56.131 56.400 -0.249 0.000 1.135 178 E CB 0.606 30.115 29.700 -0.320 0.000 1.147 178 E HN 0.565 nan 8.360 nan 0.000 0.534 179 H N 0.715 119.788 119.070 0.005 0.000 2.658 179 H HA 0.414 4.974 4.556 0.007 0.000 0.337 179 H C -1.320 174.036 175.328 0.046 0.000 1.009 179 H CA -0.718 55.345 56.048 0.025 0.000 1.231 179 H CB 2.339 32.103 29.762 0.003 0.000 1.508 179 H HN -0.046 nan 8.280 nan 0.000 0.517 180 L N 3.626 124.956 121.223 0.178 0.000 2.376 180 L HA 0.296 4.640 4.340 0.007 0.000 0.275 180 L C -0.764 176.194 176.870 0.147 0.000 0.987 180 L CA -0.406 54.538 54.840 0.173 0.000 0.828 180 L CB 1.609 43.802 42.059 0.225 0.000 1.249 180 L HN 0.483 nan 8.230 nan 0.000 0.409 181 D N 5.039 125.508 120.400 0.114 0.000 2.427 181 D HA 0.303 4.947 4.640 0.007 0.000 0.226 181 D C 0.092 176.433 176.300 0.067 0.000 1.076 181 D CA -0.003 54.043 54.000 0.078 0.000 0.849 181 D CB 1.052 41.881 40.800 0.049 0.000 1.052 181 D HN 0.645 nan 8.370 nan 0.000 0.515 182 L N 2.465 123.726 121.223 0.063 0.000 2.910 182 L HA 0.110 4.454 4.340 0.007 0.000 0.252 182 L C 0.949 177.824 176.870 0.009 0.000 1.195 182 L CA -0.247 54.623 54.840 0.049 0.000 1.003 182 L CB 0.261 42.368 42.059 0.080 0.000 1.328 182 L HN 0.262 nan 8.230 nan 0.000 0.540 183 S N -1.227 114.474 115.700 0.001 0.000 2.579 183 S HA 0.147 4.621 4.470 0.007 0.000 0.275 183 S C 0.815 175.396 174.600 -0.031 0.000 1.345 183 S CA -0.169 58.018 58.200 -0.023 0.000 1.031 183 S CB 1.201 64.390 63.200 -0.017 0.000 0.892 183 S HN 0.260 nan 8.310 nan 0.000 0.529 184 S N 1.628 117.294 115.700 -0.056 0.000 3.797 184 S HA -0.145 4.329 4.470 0.007 0.000 0.374 184 S C -0.245 174.353 174.600 -0.003 0.000 0.970 184 S CA 0.953 59.114 58.200 -0.064 0.000 1.177 184 S CB -2.075 61.045 63.200 -0.133 0.000 0.891 184 S HN 0.917 nan 8.310 nan 0.000 0.491 185 N N 0.212 118.908 118.700 -0.006 0.000 3.369 185 N HA 0.562 5.306 4.740 0.007 0.000 0.362 185 N C 0.149 175.663 175.510 0.006 0.000 1.523 185 N CA -0.957 52.101 53.050 0.013 0.000 0.684 185 N CB 0.381 38.875 38.487 0.012 0.000 1.796 185 N HN -0.060 nan 8.380 nan 0.000 0.641 186 K N 0.556 120.964 120.400 0.013 0.000 2.537 186 K HA 0.400 4.724 4.320 0.007 0.000 0.206 186 K C -0.466 176.144 176.600 0.016 0.000 1.041 186 K CA -0.159 56.137 56.287 0.015 0.000 1.090 186 K CB -0.155 32.360 32.500 0.024 0.000 0.833 186 K HN 0.462 nan 8.250 nan 0.000 0.493 187 I N 1.723 122.296 120.570 0.005 0.000 2.618 187 I HA -0.085 4.089 4.170 0.007 0.000 0.284 187 I C 1.222 177.336 176.117 -0.005 0.000 1.146 187 I CA 0.664 61.967 61.300 0.005 0.000 1.425 187 I CB 0.523 38.510 38.000 -0.021 0.000 1.383 187 I HN 0.129 nan 8.210 nan 0.000 0.562 188 Q N 3.688 123.496 119.800 0.013 0.000 2.211 188 Q HA 0.168 4.512 4.340 0.007 0.000 0.242 188 Q C -0.316 175.703 176.000 0.031 0.000 0.825 188 Q CA -0.051 55.769 55.803 0.029 0.000 0.951 188 Q CB 1.007 29.777 28.738 0.054 0.000 1.130 188 Q HN 0.848 nan 8.270 nan 0.000 0.496 189 S N -0.249 115.430 115.700 -0.035 0.000 2.552 189 S HA 0.597 5.071 4.470 0.007 0.000 0.272 189 S C -1.143 173.268 174.600 -0.314 0.000 1.150 189 S CA -0.859 57.251 58.200 -0.150 0.000 0.849 189 S CB 1.247 64.362 63.200 -0.141 0.000 1.113 189 S HN 0.156 nan 8.310 nan 0.000 0.458 190 I N 2.323 122.662 120.570 -0.385 0.000 2.410 190 I HA 0.412 4.586 4.170 0.007 0.000 0.286 190 I C -1.340 174.560 176.117 -0.362 0.000 1.009 190 I CA -0.640 60.516 61.300 -0.241 0.000 1.111 190 I CB 1.208 39.218 38.000 0.015 0.000 1.262 190 I HN 0.684 nan 8.210 nan 0.000 0.443 191 Y N 3.580 123.905 120.300 0.042 0.000 2.419 191 Y HA 0.217 4.772 4.550 0.007 0.000 0.328 191 Y C 1.461 177.341 175.900 -0.034 0.000 1.162 191 Y CA -0.831 57.282 58.100 0.021 0.000 1.174 191 Y CB 1.316 39.817 38.460 0.069 0.000 1.228 191 Y HN 0.613 nan 8.280 nan 0.000 0.473 192 C N -0.098 119.281 119.300 0.132 0.000 2.375 192 C HA -0.278 4.186 4.460 0.007 0.000 0.274 192 C C 2.803 177.804 174.990 0.017 0.000 1.190 192 C CA 2.160 61.198 59.018 0.034 0.000 1.775 192 C CB -1.459 26.310 27.740 0.049 0.000 2.067 192 C HN 1.081 nan 8.230 nan 0.000 0.463 193 T N -0.774 113.807 114.554 0.045 0.000 2.897 193 T HA -0.185 4.169 4.350 0.007 0.000 0.271 193 T C 1.026 175.703 174.700 -0.040 0.000 1.084 193 T CA 2.048 64.153 62.100 0.009 0.000 1.123 193 T CB -0.542 68.332 68.868 0.010 0.000 0.865 193 T HN 0.469 nan 8.240 nan 0.000 0.496 194 D N 1.673 122.045 120.400 -0.047 0.000 2.149 194 D HA -0.007 4.637 4.640 0.007 0.000 0.198 194 D C 1.774 177.870 176.300 -0.339 0.000 0.990 194 D CA 0.881 54.779 54.000 -0.171 0.000 0.839 194 D CB -0.308 40.422 40.800 -0.117 0.000 0.948 194 D HN 0.432 nan 8.370 nan 0.000 0.460 195 L N 0.092 121.138 121.223 -0.296 0.000 2.592 195 L HA 0.181 4.525 4.340 0.007 0.000 0.227 195 L C 2.209 178.956 176.870 -0.205 0.000 1.127 195 L CA -0.120 54.507 54.840 -0.355 0.000 0.884 195 L CB 0.009 41.803 42.059 -0.441 0.000 1.065 195 L HN -0.101 nan 8.230 nan 0.000 0.457 196 R N 0.389 120.861 120.500 -0.046 0.000 2.139 196 R HA -0.169 4.175 4.340 0.007 0.000 0.243 196 R C 1.957 178.277 176.300 0.033 0.000 1.145 196 R CA 1.527 57.694 56.100 0.112 0.000 0.976 196 R CB -0.116 30.201 30.300 0.027 0.000 0.866 196 R HN 0.250 nan 8.270 nan 0.000 0.449 197 V N 1.053 120.913 119.914 -0.090 0.000 2.343 197 V HA -0.250 3.874 4.120 0.007 0.000 0.247 197 V C 2.348 178.411 176.094 -0.052 0.000 1.051 197 V CA 1.617 63.868 62.300 -0.082 0.000 1.036 197 V CB -0.459 31.266 31.823 -0.164 0.000 0.654 197 V HN 0.330 nan 8.190 nan 0.000 0.451 198 L N -0.786 120.363 121.223 -0.123 0.000 2.083 198 L HA -0.150 4.194 4.340 0.007 0.000 0.209 198 L C 2.617 179.438 176.870 -0.081 0.000 1.083 198 L CA 1.339 56.110 54.840 -0.115 0.000 0.752 198 L CB -0.930 41.015 42.059 -0.191 0.000 0.899 198 L HN 0.403 nan 8.230 nan 0.000 0.433 199 H N 0.382 119.430 119.070 -0.038 0.000 2.539 199 H HA -0.136 4.424 4.556 0.007 0.000 0.292 199 H C 1.035 176.357 175.328 -0.010 0.000 1.069 199 H CA 1.006 57.041 56.048 -0.022 0.000 1.244 199 H CB 0.023 29.765 29.762 -0.032 0.000 1.365 199 H HN 0.557 nan 8.280 nan 0.000 0.575 200 Q N -0.198 119.657 119.800 0.092 0.000 2.165 200 Q HA 0.300 4.644 4.340 0.007 0.000 0.245 200 Q C -0.265 175.760 176.000 0.043 0.000 0.841 200 Q CA -0.117 55.722 55.803 0.060 0.000 1.078 200 Q CB 0.896 29.663 28.738 0.049 0.000 1.169 200 Q HN 0.211 nan 8.270 nan 0.000 0.475 201 M N 0.491 120.113 119.600 0.037 0.000 1.988 201 M HA 0.252 4.736 4.480 0.007 0.000 0.243 201 M C -2.308 174.007 176.300 0.026 0.000 0.897 201 M CA -1.613 53.706 55.300 0.031 0.000 0.935 201 M CB 1.518 34.139 32.600 0.034 0.000 1.956 201 M HN -0.088 nan 8.290 nan 0.000 0.389 202 P HA -0.115 nan 4.420 nan 0.000 0.205 202 P C -0.073 177.239 177.300 0.019 0.000 1.164 202 P CA 1.096 64.211 63.100 0.025 0.000 0.938 202 P CB 0.186 31.899 31.700 0.022 0.000 0.777 203 L N 0.275 121.505 121.223 0.012 0.000 2.410 203 L HA 0.185 4.529 4.340 0.007 0.000 0.273 203 L C 0.421 177.293 176.870 0.003 0.000 1.152 203 L CA 0.208 55.050 54.840 0.004 0.000 0.855 203 L CB 0.087 42.143 42.059 -0.004 0.000 1.129 203 L HN 0.126 nan 8.230 nan 0.000 0.463 204 L N 4.571 125.795 121.223 0.001 0.000 2.691 204 L HA 0.132 4.476 4.340 0.007 0.000 0.239 204 L C -0.843 176.026 176.870 -0.001 0.000 1.062 204 L CA -0.263 54.577 54.840 0.001 0.000 1.002 204 L CB 0.788 42.859 42.059 0.020 0.000 1.232 204 L HN 0.605 nan 8.230 nan 0.000 0.542 205 N N 3.265 121.941 118.700 -0.040 0.000 2.892 205 N HA 0.138 4.882 4.740 0.007 0.000 0.300 205 N C -0.529 174.930 175.510 -0.084 0.000 1.211 205 N CA 0.066 53.071 53.050 -0.075 0.000 1.158 205 N CB 0.141 38.525 38.487 -0.173 0.000 1.455 205 N HN 0.397 nan 8.380 nan 0.000 0.524 206 L N 1.648 122.871 121.223 -0.000 0.000 2.264 206 L HA 0.384 4.728 4.340 0.007 0.000 0.289 206 L C -0.393 176.503 176.870 0.043 0.000 1.044 206 L CA -0.148 54.696 54.840 0.007 0.000 0.807 206 L CB 0.943 43.044 42.059 0.071 0.000 1.192 206 L HN 0.228 nan 8.230 nan 0.000 0.425 207 S N 6.049 121.733 115.700 -0.027 0.000 2.461 207 S HA 0.449 4.923 4.470 0.007 0.000 0.322 207 S C -0.395 174.263 174.600 0.098 0.000 1.063 207 S CA -0.427 57.803 58.200 0.050 0.000 1.120 207 S CB 1.130 64.336 63.200 0.010 0.000 0.968 207 S HN 0.462 nan 8.310 nan 0.000 0.467 208 L N 3.568 124.855 121.223 0.106 0.000 2.317 208 L HA 0.641 4.985 4.340 0.007 0.000 0.281 208 L C -0.865 176.046 176.870 0.067 0.000 1.024 208 L CA -0.160 54.747 54.840 0.112 0.000 0.810 208 L CB 1.449 43.596 42.059 0.148 0.000 1.240 208 L HN 0.384 nan 8.230 nan 0.000 0.427 209 D N 4.583 125.019 120.400 0.060 0.000 2.425 209 D HA 0.311 4.955 4.640 0.007 0.000 0.240 209 D C -0.151 176.143 176.300 -0.010 0.000 1.080 209 D CA -0.090 53.924 54.000 0.023 0.000 0.836 209 D CB 1.352 42.174 40.800 0.037 0.000 1.125 209 D HN 0.650 nan 8.370 nan 0.000 0.525 210 L N 2.076 123.264 121.223 -0.058 0.000 3.014 210 L HA 0.194 4.538 4.340 0.007 0.000 0.263 210 L C 0.636 177.444 176.870 -0.104 0.000 1.207 210 L CA -0.238 54.537 54.840 -0.109 0.000 1.017 210 L CB 0.485 42.424 42.059 -0.200 0.000 1.360 210 L HN 0.151 nan 8.230 nan 0.000 0.560 211 S N 0.642 116.311 115.700 -0.051 0.000 2.566 211 S HA 0.167 4.641 4.470 0.007 0.000 0.280 211 S C 1.117 175.701 174.600 -0.027 0.000 1.343 211 S CA -0.181 58.012 58.200 -0.012 0.000 1.036 211 S CB 0.621 63.900 63.200 0.131 0.000 0.866 211 S HN 0.372 nan 8.310 nan 0.000 0.526 212 L N -0.047 121.162 121.223 -0.023 0.000 4.040 212 L HA -0.219 4.125 4.340 0.007 0.000 0.410 212 L C -0.106 176.718 176.870 -0.078 0.000 1.187 212 L CA 0.100 54.908 54.840 -0.054 0.000 0.956 212 L CB -1.567 40.436 42.059 -0.092 0.000 2.022 212 L HN 0.620 nan 8.230 nan 0.000 0.897 213 N N 1.608 120.245 118.700 -0.105 0.000 2.419 213 N HA 0.303 5.047 4.740 0.007 0.000 0.277 213 N C -1.994 173.455 175.510 -0.102 0.000 1.006 213 N CA -1.268 51.728 53.050 -0.091 0.000 0.923 213 N CB 1.585 40.009 38.487 -0.105 0.000 1.140 213 N HN -0.052 nan 8.380 nan 0.000 0.488 214 P HA 0.016 nan 4.420 nan 0.000 0.235 214 P C -0.079 177.217 177.300 -0.008 0.000 1.720 214 P CA -0.138 62.943 63.100 -0.031 0.000 1.003 214 P CB -0.171 31.528 31.700 -0.003 0.000 1.968 215 M N 3.147 122.723 119.600 -0.040 0.000 2.243 215 M HA 0.068 4.552 4.480 0.007 0.000 0.341 215 M C 0.844 177.242 176.300 0.163 0.000 1.130 215 M CA 0.980 56.303 55.300 0.040 0.000 1.162 215 M CB 0.294 32.902 32.600 0.013 0.000 1.497 215 M HN 0.077 nan 8.290 nan 0.000 0.456 216 N N 1.537 120.351 118.700 0.189 0.000 1.899 216 N HA 0.155 4.899 4.740 0.007 0.000 0.223 216 N C -1.137 174.537 175.510 0.273 0.000 1.411 216 N CA -0.459 52.721 53.050 0.216 0.000 0.737 216 N CB 0.288 38.868 38.487 0.156 0.000 1.100 216 N HN 0.396 nan 8.380 nan 0.000 0.527 217 F N 1.057 121.035 119.950 0.046 0.000 2.670 217 F HA 0.534 5.065 4.527 0.007 0.000 0.332 217 F C -2.203 173.588 175.800 -0.015 0.000 1.179 217 F CA -1.054 56.954 58.000 0.014 0.000 1.076 217 F CB 1.144 40.151 39.000 0.010 0.000 1.322 217 F HN -0.053 nan 8.300 nan 0.000 0.515 218 I N 5.973 126.108 120.570 -0.725 0.000 2.448 218 I HA 0.239 4.413 4.170 0.007 0.000 0.281 218 I C -0.263 175.314 176.117 -0.900 0.000 1.027 218 I CA -0.680 60.257 61.300 -0.605 0.000 1.111 218 I CB 1.676 39.585 38.000 -0.153 0.000 1.236 218 I HN 0.560 nan 8.210 nan 0.000 0.452 219 Q N 7.500 126.684 119.800 -1.027 0.000 2.262 219 Q HA 0.077 4.421 4.340 0.007 0.000 0.298 219 Q C -2.166 173.747 176.000 -0.146 0.000 1.083 219 Q CA -1.222 54.270 55.803 -0.518 0.000 0.962 219 Q CB 0.562 29.296 28.738 -0.007 0.000 1.104 219 Q HN 0.270 nan 8.270 nan 0.000 0.376 220 P HA -0.113 nan 4.420 nan 0.000 0.264 220 P C 0.302 177.632 177.300 0.051 0.000 1.173 220 P CA 1.419 64.537 63.100 0.031 0.000 0.761 220 P CB 0.339 32.080 31.700 0.069 0.000 0.794 221 G N 2.191 111.030 108.800 0.065 0.000 2.168 221 G HA2 -0.345 3.619 3.960 0.007 0.000 0.263 221 G HA3 -0.345 3.619 3.960 0.007 0.000 0.263 221 G C 1.139 176.079 174.900 0.066 0.000 0.977 221 G CA 0.491 45.634 45.100 0.072 0.000 0.659 221 G HN 0.708 nan 8.290 nan 0.000 0.533 222 A N -0.835 122.013 122.820 0.047 0.000 2.015 222 A HA 0.458 4.782 4.320 0.007 0.000 0.219 222 A C 1.712 179.161 177.584 -0.224 0.000 1.163 222 A CA 1.771 53.765 52.037 -0.072 0.000 0.646 222 A CB -0.241 18.682 19.000 -0.128 0.000 0.806 222 A HN 0.677 nan 8.150 nan 0.000 0.448 223 F N -0.040 119.931 119.950 0.034 0.000 2.695 223 F HA 0.235 4.766 4.527 0.007 0.000 0.303 223 F C 0.728 176.552 175.800 0.039 0.000 1.091 223 F CA -0.199 57.818 58.000 0.027 0.000 1.300 223 F CB 0.220 39.230 39.000 0.018 0.000 1.071 223 F HN -0.073 nan 8.300 nan 0.000 0.578 224 K N 1.770 122.270 120.400 0.166 0.000 2.491 224 K HA -0.095 4.229 4.320 0.007 0.000 0.279 224 K C 0.537 177.234 176.600 0.162 0.000 1.026 224 K CA 0.713 57.087 56.287 0.146 0.000 1.070 224 K CB -0.045 32.525 32.500 0.116 0.000 0.887 224 K HN 0.303 nan 8.250 nan 0.000 0.481 225 E N 0.903 121.181 120.200 0.131 0.000 2.476 225 E HA -0.251 4.103 4.350 0.007 0.000 0.251 225 E C -0.461 176.187 176.600 0.079 0.000 1.130 225 E CA 0.330 56.801 56.400 0.118 0.000 0.736 225 E CB -0.700 29.086 29.700 0.143 0.000 1.298 225 E HN 0.367 nan 8.360 nan 0.000 0.400 226 I N 0.526 121.139 120.570 0.073 0.000 2.562 226 I HA 0.428 4.602 4.170 0.007 0.000 0.301 226 I C 0.460 176.633 176.117 0.094 0.000 1.003 226 I CA -0.387 60.932 61.300 0.032 0.000 1.127 226 I CB 1.676 39.726 38.000 0.083 0.000 1.304 226 I HN 0.037 nan 8.210 nan 0.000 0.446 227 R N 5.154 125.698 120.500 0.074 0.000 2.502 227 R HA 0.591 4.935 4.340 0.007 0.000 0.298 227 R C -1.921 174.435 176.300 0.094 0.000 1.018 227 R CA -0.595 55.556 56.100 0.084 0.000 0.899 227 R CB 1.258 31.598 30.300 0.067 0.000 1.181 227 R HN 0.341 nan 8.270 nan 0.000 0.444 228 L N 3.347 124.632 121.223 0.104 0.000 2.330 228 L HA 0.330 4.674 4.340 0.007 0.000 0.271 228 L C 1.298 178.239 176.870 0.118 0.000 1.013 228 L CA -0.448 54.460 54.840 0.112 0.000 0.816 228 L CB 1.400 43.523 42.059 0.107 0.000 1.287 228 L HN 0.706 nan 8.230 nan 0.000 0.435 229 H N 1.259 120.355 119.070 0.044 0.000 2.415 229 H HA 0.169 4.729 4.556 0.007 0.000 0.297 229 H C 0.003 175.388 175.328 0.094 0.000 1.048 229 H CA 0.752 56.837 56.048 0.061 0.000 1.365 229 H CB 0.894 30.655 29.762 -0.002 0.000 1.421 229 H HN 0.495 nan 8.280 nan 0.000 0.533 230 K N 0.523 120.961 120.400 0.064 0.000 2.502 230 K HA 0.380 4.704 4.320 0.007 0.000 0.257 230 K C -1.972 174.642 176.600 0.023 0.000 0.938 230 K CA -0.709 55.582 56.287 0.006 0.000 0.819 230 K CB 2.310 34.853 32.500 0.072 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 0.488 4.832 4.340 0.007 0.000 0.268 231 L C -1.485 175.356 176.870 -0.048 0.000 0.964 231 L CA -0.383 54.443 54.840 -0.024 0.000 0.839 231 L CB 2.504 44.532 42.059 -0.051 0.000 1.276 231 L HN 0.702 nan 8.230 nan 0.000 0.403 232 T N 5.824 120.352 114.554 -0.043 0.000 2.809 232 T HA 0.520 4.874 4.350 0.007 0.000 0.284 232 T C -0.288 174.372 174.700 -0.066 0.000 0.992 232 T CA -0.273 61.790 62.100 -0.062 0.000 0.957 232 T CB 1.194 70.034 68.868 -0.047 0.000 0.942 232 T HN 0.387 nan 8.240 nan 0.000 0.439 233 L N 4.169 125.350 121.223 -0.070 0.000 2.495 233 L HA 0.453 4.797 4.340 0.007 0.000 0.248 233 L C 0.145 176.949 176.870 -0.109 0.000 1.229 233 L CA -0.493 54.292 54.840 -0.092 0.000 0.942 233 L CB 0.602 42.654 42.059 -0.011 0.000 1.242 233 L HN 0.328 nan 8.230 nan 0.000 0.484 234 R N 1.466 121.896 120.500 -0.116 0.000 2.393 234 R HA 0.332 4.676 4.340 0.007 0.000 0.310 234 R C 0.123 176.386 176.300 -0.062 0.000 0.968 234 R CA -0.644 55.373 56.100 -0.139 0.000 0.867 234 R CB 1.278 31.401 30.300 -0.294 0.000 1.124 234 R HN 0.447 nan 8.270 nan 0.000 0.450 235 N N 1.478 120.139 118.700 -0.064 0.000 2.740 235 N HA -0.213 4.531 4.740 0.007 0.000 0.248 235 N C 0.029 175.452 175.510 -0.145 0.000 1.062 235 N CA -0.085 52.962 53.050 -0.004 0.000 0.704 235 N CB -0.275 38.328 38.487 0.192 0.000 0.968 235 N HN 0.632 nan 8.380 nan 0.000 0.547 236 N N -0.540 117.903 118.700 -0.429 0.000 2.439 236 N HA 0.087 4.831 4.740 0.007 0.000 0.176 236 N C -0.071 175.036 175.510 -0.671 0.000 1.029 236 N CA 0.852 53.479 53.050 -0.704 0.000 0.886 236 N CB 0.252 38.011 38.487 -1.213 0.000 1.057 236 N HN 0.176 nan 8.380 nan 0.000 0.437 237 F N 0.830 120.799 119.950 0.032 0.000 2.404 237 F HA 0.224 4.755 4.527 0.006 0.000 0.339 237 F C 1.557 177.380 175.800 0.038 0.000 1.105 237 F CA -1.050 56.967 58.000 0.030 0.000 1.087 237 F CB 1.231 40.244 39.000 0.022 0.000 1.143 237 F HN -0.183 nan 8.300 nan 0.000 0.491 238 D N 1.014 121.533 120.400 0.198 0.000 2.077 238 D HA -0.096 4.548 4.640 0.007 0.000 0.196 238 D C 0.953 177.322 176.300 0.116 0.000 0.986 238 D CA 1.482 55.556 54.000 0.123 0.000 0.829 238 D CB 0.180 41.036 40.800 0.095 0.000 0.983 238 D HN 0.486 nan 8.370 nan 0.000 0.453 239 S N -1.192 114.572 115.700 0.107 0.000 2.766 239 S HA 0.277 4.751 4.470 0.007 0.000 0.307 239 S C 1.107 175.734 174.600 0.044 0.000 1.121 239 S CA -0.877 57.360 58.200 0.062 0.000 0.980 239 S CB 0.940 64.159 63.200 0.032 0.000 1.159 239 S HN 0.212 nan 8.310 nan 0.000 0.546 240 L N 0.602 121.815 121.223 -0.017 0.000 2.179 240 L HA -0.021 4.323 4.340 0.007 0.000 0.208 240 L C 1.956 178.757 176.870 -0.115 0.000 1.096 240 L CA 0.931 55.718 54.840 -0.088 0.000 0.779 240 L CB -0.568 41.400 42.059 -0.151 0.000 0.922 240 L HN 0.687 nan 8.230 nan 0.000 0.443 241 N N -0.543 118.110 118.700 -0.077 0.000 2.188 241 N HA -0.140 4.604 4.740 0.007 0.000 0.184 241 N C 1.746 177.211 175.510 -0.074 0.000 1.018 241 N CA 1.310 54.314 53.050 -0.076 0.000 0.858 241 N CB -0.056 38.404 38.487 -0.045 0.000 0.989 241 N HN 0.214 nan 8.380 nan 0.000 0.426 242 V N 2.010 121.904 119.914 -0.035 0.000 2.427 242 V HA -0.166 3.958 4.120 0.007 0.000 0.248 242 V C 2.456 178.442 176.094 -0.179 0.000 1.051 242 V CA 1.159 63.453 62.300 -0.010 0.000 1.048 242 V CB -0.415 31.469 31.823 0.102 0.000 0.666 242 V HN 0.282 nan 8.190 nan 0.000 0.456 243 M N -0.079 119.360 119.600 -0.270 0.000 2.077 243 M HA -0.202 4.282 4.480 0.007 0.000 0.261 243 M C 2.294 178.218 176.300 -0.627 0.000 1.070 243 M CA 1.927 56.756 55.300 -0.785 0.000 1.125 243 M CB -0.214 32.158 32.600 -0.381 0.000 1.339 243 M HN 0.144 nan 8.290 nan 0.000 0.409 244 K N -0.617 119.574 120.400 -0.348 0.000 2.152 244 K HA -0.131 4.192 4.320 0.007 0.000 0.206 244 K C 1.777 178.247 176.600 -0.217 0.000 1.048 244 K CA 1.928 58.058 56.287 -0.262 0.000 0.933 244 K CB -0.350 32.032 32.500 -0.195 0.000 0.721 244 K HN 0.437 nan 8.250 nan 0.000 0.447 245 T N 0.675 115.118 114.554 -0.186 0.000 2.737 245 T HA -0.152 4.202 4.350 0.007 0.000 0.265 245 T C 2.134 176.753 174.700 -0.134 0.000 1.038 245 T CA 1.239 63.279 62.100 -0.101 0.000 1.144 245 T CB -0.363 68.496 68.868 -0.016 0.000 0.866 245 T HN 0.315 nan 8.240 nan 0.000 0.434 246 C N 1.003 120.158 119.300 -0.240 0.000 2.432 246 C HA 0.051 4.515 4.460 0.007 0.000 0.277 246 C C 2.616 177.471 174.990 -0.226 0.000 1.249 246 C CA 0.119 59.000 59.018 -0.229 0.000 1.725 246 C CB -1.254 26.319 27.740 -0.279 0.000 2.028 246 C HN 0.541 nan 8.230 nan 0.000 0.477 247 I N 0.692 121.074 120.570 -0.313 0.000 2.657 247 I HA -0.264 3.910 4.170 0.007 0.000 0.261 247 I C 2.563 178.598 176.117 -0.138 0.000 1.212 247 I CA 1.359 62.532 61.300 -0.213 0.000 1.453 247 I CB -0.483 37.386 38.000 -0.217 0.000 1.092 247 I HN 0.556 nan 8.210 nan 0.000 0.452 248 Q N 0.011 119.739 119.800 -0.120 0.000 2.187 248 Q HA -0.050 4.294 4.340 0.007 0.000 0.199 248 Q C 2.341 178.320 176.000 -0.035 0.000 0.957 248 Q CA 1.229 56.992 55.803 -0.066 0.000 0.857 248 Q CB -0.193 28.515 28.738 -0.050 0.000 0.929 248 Q HN 0.595 nan 8.270 nan 0.000 0.453 249 G N 0.433 109.204 108.800 -0.048 0.000 2.534 249 G HA2 -0.163 3.801 3.960 0.007 0.000 0.217 249 G HA3 -0.163 3.801 3.960 0.007 0.000 0.217 249 G C 1.234 176.197 174.900 0.106 0.000 1.128 249 G CA 0.171 45.271 45.100 -0.001 0.000 0.784 249 G HN 0.143 nan 8.290 nan 0.000 0.542 250 L N 1.132 122.342 121.223 -0.022 0.000 2.376 250 L HA 0.387 4.731 4.340 0.007 0.000 0.219 250 L C 2.091 178.941 176.870 -0.033 0.000 1.133 250 L CA -0.069 54.674 54.840 -0.161 0.000 0.816 250 L CB -0.617 41.279 42.059 -0.272 0.000 0.933 250 L HN 0.193 nan 8.230 nan 0.000 0.449 251 A N -0.498 122.329 122.820 0.011 0.000 2.591 251 A HA 0.335 4.659 4.320 0.007 0.000 0.244 251 A C 1.565 179.196 177.584 0.078 0.000 1.031 251 A CA 0.864 52.919 52.037 0.030 0.000 0.767 251 A CB -0.753 18.262 19.000 0.024 0.000 0.942 251 A HN 0.834 nan 8.150 nan 0.000 0.514 252 G N 0.821 109.658 108.800 0.061 0.000 2.194 252 G HA2 -0.103 3.861 3.960 0.007 0.000 0.236 252 G HA3 -0.103 3.861 3.960 0.007 0.000 0.236 252 G C 0.179 175.138 174.900 0.098 0.000 0.987 252 G CA 0.259 45.408 45.100 0.082 0.000 0.635 252 G HN 1.775 nan 8.290 nan 0.000 0.520 253 L N 1.260 122.537 121.223 0.091 0.000 2.467 253 L HA 0.720 5.064 4.340 0.007 0.000 0.270 253 L C 0.321 177.223 176.870 0.054 0.000 1.205 253 L CA 0.097 54.989 54.840 0.087 0.000 0.828 253 L CB 0.975 43.020 42.059 -0.022 0.000 1.101 253 L HN 0.240 nan 8.230 nan 0.000 0.479 254 E N 3.390 123.629 120.200 0.064 0.000 2.235 254 E HA 0.510 4.864 4.350 0.007 0.000 0.252 254 E C -1.698 174.932 176.600 0.050 0.000 0.886 254 E CA -0.686 55.747 56.400 0.054 0.000 0.767 254 E CB 1.252 30.990 29.700 0.063 0.000 1.205 254 E HN 0.560 nan 8.360 nan 0.000 0.421 255 V N 1.639 121.570 119.914 0.028 0.000 2.680 255 V HA 0.327 4.451 4.120 0.007 0.000 0.309 255 V C 0.712 176.810 176.094 0.005 0.000 1.052 255 V CA -0.713 61.595 62.300 0.013 0.000 0.908 255 V CB 1.545 33.356 31.823 -0.020 0.000 1.001 255 V HN 0.770 nan 8.190 nan 0.000 0.431 256 H N 3.402 122.388 119.070 -0.141 0.000 2.343 256 H HA 0.240 4.801 4.556 0.007 0.000 0.303 256 H C 1.086 176.306 175.328 -0.181 0.000 1.068 256 H CA 1.908 57.837 56.048 -0.198 0.000 1.359 256 H CB 0.355 29.855 29.762 -0.438 0.000 1.402 256 H HN 0.728 nan 8.280 nan 0.000 0.515 257 R N 0.479 120.782 120.500 -0.329 0.000 2.513 257 R HA 0.389 4.733 4.340 0.007 0.000 0.301 257 R C -1.944 174.257 176.300 -0.165 0.000 0.968 257 R CA -1.032 54.885 56.100 -0.305 0.000 0.872 257 R CB 1.029 31.156 30.300 -0.289 0.000 1.177 257 R HN 0.248 nan 8.270 nan 0.000 0.444 258 L N 5.128 126.275 121.223 -0.127 0.000 2.333 258 L HA 0.508 4.852 4.340 0.007 0.000 0.280 258 L C -1.609 175.143 176.870 -0.197 0.000 1.004 258 L CA -0.510 54.286 54.840 -0.073 0.000 0.820 258 L CB 2.089 44.187 42.059 0.065 0.000 1.247 258 L HN 0.361 nan 8.230 nan 0.000 0.416 259 V N 6.579 126.374 119.914 -0.197 0.000 2.378 259 V HA 0.504 4.628 4.120 0.007 0.000 0.288 259 V C 0.177 176.147 176.094 -0.206 0.000 1.016 259 V CA -0.465 61.654 62.300 -0.302 0.000 0.840 259 V CB 1.172 32.843 31.823 -0.253 0.000 0.994 259 V HN 0.710 nan 8.190 nan 0.000 0.431 260 L N 3.503 124.583 121.223 -0.239 0.000 2.341 260 L HA 1.061 5.405 4.340 0.007 0.000 0.267 260 L C 0.799 177.591 176.870 -0.130 0.000 1.022 260 L CA -0.375 54.429 54.840 -0.060 0.000 0.844 260 L CB 1.922 44.077 42.059 0.160 0.000 1.436 260 L HN 0.867 nan 8.230 nan 0.000 0.483 261 G N 0.259 109.034 108.800 -0.042 0.000 2.373 261 G HA2 0.037 4.001 3.960 0.007 0.000 0.634 261 G HA3 0.037 4.001 3.960 0.007 0.000 0.634 261 G C -1.528 173.302 174.900 -0.117 0.000 1.267 261 G CA -0.315 44.717 45.100 -0.113 0.000 1.008 261 G HN 0.778 nan 8.290 nan 0.000 0.497 262 E N -1.547 118.585 120.200 -0.114 0.000 2.446 262 E HA 0.770 5.124 4.350 0.007 0.000 0.267 262 E C -1.451 175.032 176.600 -0.195 0.000 0.955 262 E CA -1.137 55.216 56.400 -0.079 0.000 0.842 262 E CB 1.665 31.433 29.700 0.113 0.000 1.504 262 E HN 0.367 nan 8.360 nan 0.000 0.438 263 F N 0.461 120.451 119.950 0.066 0.000 2.443 263 F HA 0.408 4.939 4.527 0.006 0.000 0.335 263 F C 1.690 177.360 175.800 -0.218 0.000 1.104 263 F CA -0.777 57.161 58.000 -0.103 0.000 1.013 263 F CB 1.757 40.691 39.000 -0.109 0.000 1.136 263 F HN 0.449 nan 8.300 nan 0.000 0.470 264 R N 1.602 121.812 120.500 -0.483 0.000 2.127 264 R HA -0.157 4.187 4.340 0.007 0.000 0.238 264 R C 1.148 177.362 176.300 -0.144 0.000 1.134 264 R CA 1.674 57.400 56.100 -0.623 0.000 0.975 264 R CB -0.122 29.703 30.300 -0.791 0.000 0.865 264 R HN 0.722 nan 8.270 nan 0.000 0.447 265 N N -0.096 118.563 118.700 -0.068 0.000 2.320 265 N HA 0.033 4.777 4.740 0.007 0.000 0.237 265 N C -0.747 174.761 175.510 -0.003 0.000 1.129 265 N CA 0.011 53.041 53.050 -0.032 0.000 0.854 265 N CB 0.686 39.137 38.487 -0.060 0.000 1.083 265 N HN 0.175 nan 8.380 nan 0.000 0.504 266 E N -1.139 119.090 120.200 0.048 0.000 2.446 266 E HA 0.610 4.964 4.350 0.007 0.000 0.269 266 E C -0.612 176.040 176.600 0.087 0.000 0.977 266 E CA -1.008 55.425 56.400 0.055 0.000 0.854 266 E CB 1.141 30.879 29.700 0.063 0.000 1.545 266 E HN 0.197 nan 8.360 nan 0.000 0.448 267 G N 0.866 109.711 108.800 0.074 0.000 2.298 267 G HA2 0.138 4.102 3.960 0.007 0.000 0.263 267 G HA3 0.138 4.102 3.960 0.007 0.000 0.263 267 G C -0.575 174.391 174.900 0.111 0.000 1.229 267 G CA 0.098 45.248 45.100 0.082 0.000 0.976 267 G HN 0.376 nan 8.290 nan 0.000 0.459 268 N N 0.938 119.714 118.700 0.126 0.000 2.477 268 N HA 0.456 5.200 4.740 0.007 0.000 0.284 268 N C -0.167 175.422 175.510 0.132 0.000 1.182 268 N CA -0.958 52.180 53.050 0.146 0.000 0.949 268 N CB 1.687 40.281 38.487 0.179 0.000 1.204 268 N HN 0.298 nan 8.380 nan 0.000 0.526 269 L N 1.206 122.516 121.223 0.144 0.000 2.397 269 L HA 0.087 4.431 4.340 0.007 0.000 0.271 269 L C 1.727 178.671 176.870 0.123 0.000 1.148 269 L CA 0.039 54.960 54.840 0.135 0.000 0.825 269 L CB 0.611 42.779 42.059 0.180 0.000 1.117 269 L HN 0.805 nan 8.230 nan 0.000 0.456 270 E N 2.548 122.799 120.200 0.086 0.000 2.371 270 E HA -0.005 4.349 4.350 0.007 0.000 0.194 270 E C -0.102 176.537 176.600 0.064 0.000 1.012 270 E CA 0.241 56.702 56.400 0.101 0.000 0.860 270 E CB 0.347 30.093 29.700 0.076 0.000 0.811 270 E HN 0.516 nan 8.360 nan 0.000 0.502 271 K N -0.021 120.307 120.400 -0.119 0.000 2.527 271 K HA 0.326 4.650 4.320 0.007 0.000 0.260 271 K C -1.822 174.425 176.600 -0.589 0.000 0.937 271 K CA -0.919 55.047 56.287 -0.535 0.000 0.826 271 K CB 1.321 33.647 32.500 -0.290 0.000 1.359 271 K HN 0.052 nan 8.250 nan 0.000 0.434 272 F N 2.518 121.678 119.950 -1.317 0.000 2.872 272 F HA 0.135 4.667 4.527 0.007 0.000 0.363 272 F C -1.047 174.521 175.800 -0.387 0.000 1.357 272 F CA -0.582 57.053 58.000 -0.608 0.000 1.174 272 F CB 0.515 39.321 39.000 -0.323 0.000 1.860 272 F HN 0.725 nan 8.300 nan 0.000 0.615 273 D N 0.711 120.925 120.400 -0.311 0.000 2.433 273 D HA 0.131 4.775 4.640 0.007 0.000 0.255 273 D C 1.094 177.295 176.300 -0.164 0.000 1.226 273 D CA -0.538 53.387 54.000 -0.125 0.000 1.015 273 D CB 0.567 41.302 40.800 -0.108 0.000 1.091 273 D HN 0.430 nan 8.370 nan 0.000 0.527 274 K N -0.903 119.433 120.400 -0.107 0.000 2.589 274 K HA -0.164 4.160 4.320 0.007 0.000 0.195 274 K C 0.876 177.377 176.600 -0.164 0.000 1.042 274 K CA 1.414 57.620 56.287 -0.135 0.000 0.940 274 K CB -0.459 31.978 32.500 -0.106 0.000 0.776 274 K HN 0.357 nan 8.250 nan 0.000 0.487 275 S N -0.962 114.620 115.700 -0.196 0.000 2.526 275 S HA 0.298 4.772 4.470 0.007 0.000 0.220 275 S C 2.093 176.540 174.600 -0.256 0.000 1.017 275 S CA -0.042 58.044 58.200 -0.190 0.000 0.930 275 S CB 0.493 63.600 63.200 -0.156 0.000 0.856 275 S HN 0.337 nan 8.310 nan 0.000 0.497 276 A N 1.673 124.254 122.820 -0.399 0.000 1.997 276 A HA 0.004 4.328 4.320 0.007 0.000 0.221 276 A C 1.712 179.069 177.584 -0.378 0.000 1.172 276 A CA 1.540 53.240 52.037 -0.561 0.000 0.645 276 A CB -0.576 17.661 19.000 -1.271 0.000 0.813 276 A HN 0.507 nan 8.150 nan 0.000 0.454 277 L N -0.679 120.391 121.223 -0.255 0.000 2.769 277 L HA 0.212 4.556 4.340 0.007 0.000 0.240 277 L C 1.523 178.331 176.870 -0.103 0.000 1.163 277 L CA 0.362 55.131 54.840 -0.118 0.000 0.962 277 L CB -0.327 41.730 42.059 -0.003 0.000 1.258 277 L HN 0.411 nan 8.230 nan 0.000 0.513 278 E N 0.170 120.297 120.200 -0.122 0.000 2.065 278 E HA -0.251 4.103 4.350 0.007 0.000 0.201 278 E C 2.151 178.705 176.600 -0.078 0.000 1.016 278 E CA 1.475 57.818 56.400 -0.094 0.000 0.818 278 E CB -0.266 29.376 29.700 -0.098 0.000 0.749 278 E HN 0.570 nan 8.360 nan 0.000 0.453 279 G N 1.028 109.774 108.800 -0.089 0.000 2.507 279 G HA2 -0.268 3.696 3.960 0.007 0.000 0.221 279 G HA3 -0.268 3.696 3.960 0.007 0.000 0.221 279 G C 1.358 176.221 174.900 -0.060 0.000 1.119 279 G CA 0.670 45.724 45.100 -0.076 0.000 0.751 279 G HN 0.080 nan 8.290 nan 0.000 0.574 280 L N 0.328 121.513 121.223 -0.063 0.000 2.447 280 L HA -0.019 4.325 4.340 0.007 0.000 0.225 280 L C 2.722 179.569 176.870 -0.038 0.000 1.148 280 L CA 0.325 55.132 54.840 -0.055 0.000 0.808 280 L CB -0.921 41.086 42.059 -0.086 0.000 0.928 280 L HN 0.270 nan 8.230 nan 0.000 0.448 281 c N -0.721 117.859 118.600 -0.033 0.000 2.432 281 c HA -0.080 4.494 4.570 0.007 0.000 0.282 281 c C 1.896 175.982 174.090 -0.007 0.000 1.388 281 c CA 0.508 56.828 56.329 -0.015 0.000 1.777 281 c CB -1.249 41.250 42.510 -0.018 0.000 1.882 281 c HN 0.569 nan 8.230 nan 0.000 0.520 282 N N 0.205 118.897 118.700 -0.012 0.000 2.376 282 N HA 0.224 4.968 4.740 0.007 0.000 0.249 282 N C -0.653 174.859 175.510 0.002 0.000 1.140 282 N CA -0.069 52.980 53.050 -0.002 0.000 0.870 282 N CB 0.305 38.790 38.487 -0.003 0.000 1.124 282 N HN 0.324 nan 8.380 nan 0.000 0.505 283 L N -0.061 121.161 121.223 -0.001 0.000 2.327 283 L HA 0.458 4.802 4.340 0.007 0.000 0.258 283 L C -0.083 176.795 176.870 0.014 0.000 1.024 283 L CA -0.435 54.406 54.840 0.001 0.000 0.825 283 L CB 2.172 44.221 42.059 -0.017 0.000 1.386 283 L HN -0.141 nan 8.230 nan 0.000 0.417 284 T N 2.741 117.308 114.554 0.021 0.000 2.893 284 T HA 0.606 4.960 4.350 0.007 0.000 0.324 284 T C -0.067 174.650 174.700 0.027 0.000 1.082 284 T CA -0.133 61.986 62.100 0.031 0.000 0.983 284 T CB 0.405 69.297 68.868 0.040 0.000 1.005 284 T HN 0.226 nan 8.240 nan 0.000 0.475 285 I N 2.407 122.992 120.570 0.025 0.000 2.441 285 I HA 0.414 4.588 4.170 0.007 0.000 0.295 285 I C 1.168 177.291 176.117 0.010 0.000 0.994 285 I CA -0.680 60.629 61.300 0.015 0.000 1.144 285 I CB 2.304 40.322 38.000 0.030 0.000 1.314 285 I HN 0.415 nan 8.210 nan 0.000 0.445 286 E N 3.570 123.742 120.200 -0.046 0.000 2.206 286 E HA 0.134 4.488 4.350 0.007 0.000 0.195 286 E C -0.393 176.132 176.600 -0.126 0.000 0.935 286 E CA 0.970 57.330 56.400 -0.066 0.000 0.875 286 E CB 0.566 30.222 29.700 -0.073 0.000 0.841 286 E HN 0.598 nan 8.360 nan 0.000 0.477 287 E N -0.507 119.555 120.200 -0.230 0.000 2.256 287 E HA 0.349 4.703 4.350 0.007 0.000 0.268 287 E C -1.425 175.097 176.600 -0.131 0.000 0.877 287 E CA -0.760 55.515 56.400 -0.209 0.000 0.757 287 E CB 2.077 31.576 29.700 -0.333 0.000 1.183 287 E HN 0.041 nan 8.360 nan 0.000 0.418 288 F N 2.326 122.095 119.950 -0.301 0.000 2.561 288 F HA 0.611 5.142 4.527 0.007 0.000 0.321 288 F C -0.939 174.547 175.800 -0.524 0.000 1.065 288 F CA -0.785 57.014 58.000 -0.335 0.000 0.934 288 F CB 1.638 40.491 39.000 -0.245 0.000 1.215 288 F HN 0.359 nan 8.300 nan 0.000 0.471 289 R N 6.036 125.589 120.500 -1.579 0.000 2.515 289 R HA 0.514 4.858 4.340 0.007 0.000 0.278 289 R C -2.494 172.999 176.300 -1.345 0.000 1.107 289 R CA -0.856 54.467 56.100 -1.294 0.000 0.945 289 R CB 1.552 31.420 30.300 -0.720 0.000 1.219 289 R HN 0.752 nan 8.270 nan 0.000 0.434 290 L N 4.235 124.843 121.223 -1.024 0.000 2.262 290 L HA 0.601 4.945 4.340 0.007 0.000 0.288 290 L C -0.841 175.787 176.870 -0.404 0.000 1.035 290 L CA -0.026 54.484 54.840 -0.550 0.000 0.820 290 L CB 1.361 43.290 42.059 -0.217 0.000 1.204 290 L HN 0.743 nan 8.230 nan 0.000 0.424 291 A N 5.565 128.181 122.820 -0.339 0.000 2.582 291 A HA 0.507 4.831 4.320 0.007 0.000 0.336 291 A C -0.897 176.598 177.584 -0.148 0.000 1.445 291 A CA -0.496 51.386 52.037 -0.258 0.000 0.997 291 A CB -0.814 18.016 19.000 -0.284 0.000 1.148 291 A HN 0.933 nan 8.150 nan 0.000 0.514 292 Y N 0.768 120.923 120.300 -0.243 0.000 2.635 292 Y HA -0.112 4.441 4.550 0.006 0.000 0.027 292 Y C -1.473 174.320 175.900 -0.179 0.000 1.847 292 Y CA -0.027 57.955 58.100 -0.195 0.000 1.327 292 Y CB -0.593 37.748 38.460 -0.199 0.000 1.982 292 Y HN 0.732 nan 8.280 nan 0.000 0.272 293 L N 7.682 128.314 121.223 -0.985 0.000 2.476 293 L HA 0.268 4.612 4.340 0.007 0.000 0.269 293 L C 0.598 177.016 176.870 -0.754 0.000 0.965 293 L CA -0.452 53.962 54.840 -0.711 0.000 0.845 293 L CB 1.629 43.378 42.059 -0.517 0.000 1.259 293 L HN 0.965 nan 8.230 nan 0.000 0.403 294 D N 3.255 123.365 120.400 -0.483 0.000 2.117 294 D HA -0.189 4.455 4.640 0.007 0.000 0.198 294 D C 0.157 176.512 176.300 0.091 0.000 0.982 294 D CA 0.902 54.820 54.000 -0.136 0.000 0.828 294 D CB 0.119 40.984 40.800 0.107 0.000 0.967 294 D HN 0.516 nan 8.370 nan 0.000 0.464 295 Y N 0.811 121.111 120.300 0.001 0.000 2.702 295 Y HA -0.078 4.477 4.550 0.007 0.000 0.336 295 Y C -0.590 175.428 175.900 0.197 0.000 1.235 295 Y CA -0.046 58.123 58.100 0.116 0.000 1.492 295 Y CB 0.101 38.624 38.460 0.104 0.000 1.308 295 Y HN -0.108 nan 8.280 nan 0.000 0.589 296 Y N 6.606 126.586 120.300 -0.532 0.000 2.486 296 Y HA 0.193 4.746 4.550 0.006 0.000 0.348 296 Y C 0.152 175.840 175.900 -0.353 0.000 1.000 296 Y CA -0.907 56.984 58.100 -0.349 0.000 1.253 296 Y CB -0.093 38.194 38.460 -0.287 0.000 1.140 296 Y HN 0.460 nan 8.280 nan 0.000 0.526 297 L N 4.127 125.373 121.223 0.039 0.000 2.514 297 L HA -0.073 4.271 4.340 0.007 0.000 0.280 297 L C 0.707 177.624 176.870 0.077 0.000 1.223 297 L CA 0.397 55.312 54.840 0.124 0.000 0.864 297 L CB 0.559 42.693 42.059 0.125 0.000 1.118 297 L HN 0.634 nan 8.230 nan 0.000 0.494 298 D N 0.047 120.507 120.400 0.100 0.000 2.735 298 D HA 0.011 4.655 4.640 0.007 0.000 0.267 298 D C 0.211 176.512 176.300 0.001 0.000 1.081 298 D CA 0.601 54.632 54.000 0.051 0.000 0.980 298 D CB 0.305 41.152 40.800 0.078 0.000 1.129 298 D HN 0.574 nan 8.370 nan 0.000 0.459 299 D N -0.071 120.316 120.400 -0.021 0.000 2.299 299 D HA 0.207 4.851 4.640 0.007 0.000 0.243 299 D C 0.288 176.513 176.300 -0.124 0.000 0.982 299 D CA -0.537 53.411 54.000 -0.086 0.000 0.924 299 D CB 2.805 43.552 40.800 -0.088 0.000 1.238 299 D HN 0.031 nan 8.370 nan 0.000 0.484 300 I N 2.277 122.770 120.570 -0.129 0.000 4.244 300 I HA 0.030 4.204 4.170 0.007 0.000 0.318 300 I C 1.786 177.936 176.117 0.055 0.000 1.282 300 I CA -0.127 61.144 61.300 -0.049 0.000 1.276 300 I CB 0.325 38.370 38.000 0.074 0.000 1.183 300 I HN 0.409 nan 8.210 nan 0.000 0.431 301 I N 0.791 121.367 120.570 0.011 0.000 2.406 301 I HA -0.111 4.062 4.170 0.007 0.000 0.249 301 I C 1.568 177.612 176.117 -0.123 0.000 1.122 301 I CA 1.820 63.118 61.300 -0.003 0.000 1.431 301 I CB -0.385 37.487 38.000 -0.214 0.000 1.087 301 I HN 0.072 nan 8.210 nan 0.000 0.424 302 D N 0.484 120.792 120.400 -0.153 0.000 2.234 302 D HA -0.055 4.589 4.640 0.007 0.000 0.205 302 D C 2.216 178.425 176.300 -0.151 0.000 0.962 302 D CA 0.894 54.802 54.000 -0.154 0.000 0.855 302 D CB -0.083 40.636 40.800 -0.136 0.000 0.951 302 D HN 0.398 nan 8.370 nan 0.000 0.500 303 L N -0.623 120.464 121.223 -0.227 0.000 2.072 303 L HA -0.046 4.298 4.340 0.007 0.000 0.205 303 L C 1.069 177.756 176.870 -0.304 0.000 1.079 303 L CA 1.128 55.745 54.840 -0.371 0.000 0.752 303 L CB -0.019 41.627 42.059 -0.688 0.000 0.906 303 L HN -0.053 nan 8.230 nan 0.000 0.436 304 F N -0.451 119.529 119.950 0.048 0.000 2.647 304 F HA 0.097 4.627 4.527 0.006 0.000 0.300 304 F C 1.396 177.209 175.800 0.021 0.000 1.106 304 F CA -0.553 57.440 58.000 -0.011 0.000 1.313 304 F CB -0.193 38.737 39.000 -0.116 0.000 1.007 304 F HN 0.241 nan 8.300 nan 0.000 0.536 305 N N -0.875 117.934 118.700 0.181 0.000 2.573 305 N HA -0.127 4.617 4.740 0.007 0.000 0.187 305 N C 1.109 176.688 175.510 0.114 0.000 1.107 305 N CA 0.700 53.848 53.050 0.163 0.000 0.918 305 N CB -0.932 37.533 38.487 -0.035 0.000 0.966 305 N HN 0.213 nan 8.380 nan 0.000 0.448 306 c N -0.519 118.124 118.600 0.073 0.000 2.594 306 c HA 0.306 4.880 4.570 0.007 0.000 0.265 306 c C 1.151 175.262 174.090 0.035 0.000 1.351 306 c CA -0.197 56.151 56.329 0.032 0.000 1.744 306 c CB -0.870 41.631 42.510 -0.015 0.000 1.890 306 c HN 0.405 nan 8.230 nan 0.000 0.551 307 L N 0.420 121.679 121.223 0.058 0.000 2.872 307 L HA 0.118 4.462 4.340 0.007 0.000 0.245 307 L C 2.171 179.205 176.870 0.273 0.000 1.211 307 L CA 0.735 55.613 54.840 0.064 0.000 1.013 307 L CB -1.861 40.150 42.059 -0.081 0.000 1.326 307 L HN 0.263 nan 8.230 nan 0.000 0.525 308 T N 0.156 114.882 114.554 0.286 0.000 2.821 308 T HA -0.118 4.236 4.350 0.007 0.000 0.267 308 T C 1.620 176.506 174.700 0.309 0.000 1.046 308 T CA 1.499 63.827 62.100 0.380 0.000 1.139 308 T CB 0.140 69.223 68.868 0.358 0.000 0.871 308 T HN 0.305 nan 8.240 nan 0.000 0.454 309 N N 0.946 119.778 118.700 0.221 0.000 2.457 309 N HA 0.038 4.782 4.740 0.007 0.000 0.180 309 N C 0.563 176.195 175.510 0.203 0.000 1.050 309 N CA 0.070 53.226 53.050 0.176 0.000 0.906 309 N CB -0.320 38.236 38.487 0.115 0.000 0.968 309 N HN 0.267 nan 8.380 nan 0.000 0.445 310 V N 1.809 121.865 119.914 0.238 0.000 2.928 310 V HA -0.114 4.010 4.120 0.007 0.000 0.307 310 V C 1.688 177.917 176.094 0.224 0.000 1.105 310 V CA 0.640 63.052 62.300 0.186 0.000 1.223 310 V CB 1.244 33.157 31.823 0.150 0.000 0.930 310 V HN 0.367 nan 8.190 nan 0.000 0.499 311 S N 2.296 118.072 115.700 0.127 0.000 2.470 311 S HA 0.080 4.554 4.470 0.007 0.000 0.222 311 S C 0.865 175.528 174.600 0.106 0.000 1.024 311 S CA 0.509 58.793 58.200 0.140 0.000 0.931 311 S CB 0.285 63.547 63.200 0.103 0.000 0.791 311 S HN 0.716 nan 8.310 nan 0.000 0.513 312 S N 0.453 116.157 115.700 0.006 0.000 2.707 312 S HA 0.644 5.118 4.470 0.007 0.000 0.312 312 S C -1.505 172.943 174.600 -0.253 0.000 1.116 312 S CA -0.752 57.410 58.200 -0.064 0.000 1.078 312 S CB 0.456 63.660 63.200 0.007 0.000 0.997 312 S HN 0.367 nan 8.310 nan 0.000 0.477 313 F N 4.443 123.996 119.950 -0.662 0.000 2.444 313 F HA 0.707 5.238 4.527 0.006 0.000 0.342 313 F C -0.059 175.298 175.800 -0.739 0.000 1.121 313 F CA -0.223 57.224 58.000 -0.921 0.000 0.997 313 F CB 1.786 39.564 39.000 -2.037 0.000 1.130 313 F HN 0.518 nan 8.300 nan 0.000 0.454 314 S N 6.713 121.631 115.700 -1.303 0.000 2.538 314 S HA 0.761 5.235 4.470 0.007 0.000 0.288 314 S C -1.599 172.429 174.600 -0.953 0.000 1.108 314 S CA -0.642 57.001 58.200 -0.927 0.000 0.971 314 S CB 0.947 63.767 63.200 -0.633 0.000 1.041 314 S HN 0.669 nan 8.310 nan 0.000 0.483 315 L N 4.563 125.435 121.223 -0.585 0.000 2.415 315 L HA 0.609 4.953 4.340 0.007 0.000 0.268 315 L C -0.697 176.013 176.870 -0.268 0.000 0.984 315 L CA -0.829 53.772 54.840 -0.399 0.000 0.853 315 L CB 1.771 43.708 42.059 -0.203 0.000 1.215 315 L HN 0.527 nan 8.230 nan 0.000 0.419 316 V N 2.731 122.490 119.914 -0.257 0.000 2.417 316 V HA 0.490 4.614 4.120 0.007 0.000 0.291 316 V C 0.464 176.485 176.094 -0.121 0.000 1.024 316 V CA 0.064 62.254 62.300 -0.182 0.000 0.861 316 V CB 1.720 33.433 31.823 -0.183 0.000 0.985 316 V HN 0.861 nan 8.190 nan 0.000 0.436 317 S N 2.908 118.562 115.700 -0.076 0.000 3.697 317 S HA -0.131 4.343 4.470 0.007 0.000 0.388 317 S C -0.466 174.083 174.600 -0.085 0.000 0.941 317 S CA 1.023 59.217 58.200 -0.011 0.000 1.247 317 S CB -1.209 62.071 63.200 0.133 0.000 0.904 317 S HN 2.195 nan 8.310 nan 0.000 0.518 318 V N -0.046 119.801 119.914 -0.112 0.000 2.760 318 V HA 0.807 4.931 4.120 0.007 0.000 0.309 318 V C 0.116 176.144 176.094 -0.110 0.000 1.077 318 V CA -0.436 61.768 62.300 -0.160 0.000 0.910 318 V CB 2.397 34.145 31.823 -0.125 0.000 1.008 318 V HN 0.298 nan 8.190 nan 0.000 0.424 319 T N 7.565 121.999 114.554 -0.200 0.000 2.761 319 T HA 0.464 4.818 4.350 0.007 0.000 0.296 319 T C 0.844 175.496 174.700 -0.079 0.000 0.934 319 T CA 0.357 62.317 62.100 -0.234 0.000 1.091 319 T CB 0.472 68.935 68.868 -0.675 0.000 0.896 319 T HN 0.916 nan 8.240 nan 0.000 0.515 320 I N -0.291 120.319 120.570 0.067 0.000 3.947 320 I HA 0.360 4.534 4.170 0.007 0.000 0.327 320 I C 1.297 177.570 176.117 0.259 0.000 1.519 320 I CA -0.446 60.978 61.300 0.206 0.000 1.122 320 I CB -0.006 38.219 38.000 0.375 0.000 1.146 320 I HN 0.453 nan 8.210 nan 0.000 0.442 321 E N 1.834 122.126 120.200 0.154 0.000 2.049 321 E HA -0.199 4.155 4.350 0.007 0.000 0.198 321 E C 1.204 177.913 176.600 0.180 0.000 1.007 321 E CA 1.391 57.891 56.400 0.167 0.000 0.809 321 E CB -0.122 29.636 29.700 0.096 0.000 0.749 321 E HN 0.371 nan 8.360 nan 0.000 0.450 322 R N 0.582 121.166 120.500 0.141 0.000 2.395 322 R HA 0.012 4.356 4.340 0.007 0.000 0.202 322 R C -0.472 175.872 176.300 0.073 0.000 1.088 322 R CA 0.230 56.392 56.100 0.103 0.000 1.090 322 R CB -0.374 29.975 30.300 0.082 0.000 0.876 322 R HN -0.038 nan 8.270 nan 0.000 0.477 323 V N 0.725 120.699 119.914 0.100 0.000 2.370 323 V HA 0.176 4.300 4.120 0.007 0.000 0.279 323 V C 1.123 177.199 176.094 -0.030 0.000 1.029 323 V CA -0.632 61.624 62.300 -0.072 0.000 0.870 323 V CB 1.815 33.444 31.823 -0.323 0.000 0.984 323 V HN 0.039 nan 8.190 nan 0.000 0.451 324 K N 1.975 122.332 120.400 -0.072 0.000 2.284 324 K HA 0.106 4.430 4.320 0.007 0.000 0.198 324 K C 0.270 176.871 176.600 0.001 0.000 1.048 324 K CA 0.634 56.933 56.287 0.020 0.000 0.987 324 K CB 0.395 32.901 32.500 0.011 0.000 0.800 324 K HN 0.718 nan 8.250 nan 0.000 0.486 325 D N -0.513 119.782 120.400 -0.173 0.000 2.481 325 D HA 0.140 4.784 4.640 0.007 0.000 0.246 325 D C -0.915 175.230 176.300 -0.258 0.000 1.109 325 D CA -0.459 53.477 54.000 -0.107 0.000 0.845 325 D CB 0.587 41.347 40.800 -0.067 0.000 1.160 325 D HN -0.135 nan 8.370 nan 0.000 0.534 326 F N 1.854 121.840 119.950 0.061 0.000 2.772 326 F HA 0.131 4.663 4.527 0.008 0.000 0.302 326 F C 1.995 177.827 175.800 0.054 0.000 1.136 326 F CA -0.296 57.756 58.000 0.086 0.000 1.322 326 F CB 0.734 39.764 39.000 0.050 0.000 0.967 326 F HN 0.240 nan 8.300 nan 0.000 0.513 327 S N -0.716 115.065 115.700 0.134 0.000 2.524 327 S HA -0.001 4.473 4.470 0.007 0.000 0.216 327 S C 0.526 175.098 174.600 -0.047 0.000 0.987 327 S CA -0.203 58.026 58.200 0.049 0.000 0.909 327 S CB -0.256 62.960 63.200 0.026 0.000 0.781 327 S HN 0.296 nan 8.310 nan 0.000 0.521 328 Y N 3.233 123.395 120.300 -0.230 0.000 2.702 328 Y HA 0.228 4.781 4.550 0.006 0.000 0.336 328 Y C 0.328 175.865 175.900 -0.605 0.000 1.235 328 Y CA -0.143 57.653 58.100 -0.507 0.000 1.492 328 Y CB 0.245 38.189 38.460 -0.861 0.000 1.308 328 Y HN 0.154 nan 8.280 nan 0.000 0.589 329 N N 5.382 123.212 118.700 -1.450 0.000 2.767 329 N HA 0.180 4.924 4.740 0.007 0.000 0.238 329 N C -1.629 173.235 175.510 -1.076 0.000 1.083 329 N CA -0.196 52.266 53.050 -0.981 0.000 0.964 329 N CB -0.532 37.565 38.487 -0.650 0.000 1.252 329 N HN 0.337 nan 8.380 nan 0.000 0.512 330 F N -0.013 119.494 119.950 -0.737 0.000 2.380 330 F HA 0.336 4.867 4.527 0.006 0.000 0.325 330 F C 1.967 177.478 175.800 -0.482 0.000 1.136 330 F CA -0.530 57.017 58.000 -0.755 0.000 1.171 330 F CB 0.949 38.873 39.000 -1.793 0.000 1.230 330 F HN 0.433 nan 8.300 nan 0.000 0.554 331 G N 1.065 109.830 108.800 -0.058 0.000 3.181 331 G HA2 -0.044 3.920 3.960 0.007 0.000 0.219 331 G HA3 -0.044 3.920 3.960 0.007 0.000 0.219 331 G C -0.274 174.761 174.900 0.225 0.000 1.182 331 G CA -0.370 44.768 45.100 0.063 0.000 0.791 331 G HN 0.358 nan 8.290 nan 0.000 0.537 332 W N 0.491 121.863 121.300 0.120 0.000 2.231 332 W HA 0.246 4.909 4.660 0.006 0.000 0.341 332 W C 0.980 177.559 176.519 0.100 0.000 1.298 332 W CA -0.562 56.841 57.345 0.096 0.000 1.266 332 W CB 0.201 29.704 29.460 0.072 0.000 1.172 332 W HN 0.272 nan 8.180 nan 0.000 0.568 333 Q N 0.023 120.018 119.800 0.326 0.000 2.353 333 Q HA 0.025 4.369 4.340 0.007 0.000 0.240 333 Q C 0.238 176.392 176.000 0.258 0.000 0.868 333 Q CA 0.482 56.426 55.803 0.236 0.000 0.944 333 Q CB 0.921 29.760 28.738 0.167 0.000 1.104 333 Q HN 0.482 nan 8.270 nan 0.000 0.531 334 H N 0.161 119.303 119.070 0.120 0.000 2.744 334 H HA 0.444 5.003 4.556 0.006 0.000 0.339 334 H C -1.912 173.446 175.328 0.050 0.000 1.004 334 H CA -0.945 55.136 56.048 0.056 0.000 1.257 334 H CB 1.511 31.256 29.762 -0.028 0.000 1.552 334 H HN -0.003 nan 8.280 nan 0.000 0.522 335 L N 5.153 126.298 121.223 -0.130 0.000 2.356 335 L HA 0.371 4.715 4.340 0.007 0.000 0.277 335 L C -0.946 175.771 176.870 -0.254 0.000 0.996 335 L CA -0.321 54.416 54.840 -0.172 0.000 0.822 335 L CB 1.707 43.870 42.059 0.174 0.000 1.256 335 L HN 0.789 nan 8.230 nan 0.000 0.413 336 E N 5.772 125.747 120.200 -0.375 0.000 2.216 336 E HA 0.464 4.818 4.350 0.007 0.000 0.260 336 E C -1.908 174.587 176.600 -0.175 0.000 0.880 336 E CA -0.551 55.706 56.400 -0.238 0.000 0.765 336 E CB 1.176 30.688 29.700 -0.314 0.000 1.174 336 E HN 0.738 nan 8.360 nan 0.000 0.417 337 L N 5.612 126.792 121.223 -0.071 0.000 2.345 337 L HA 0.481 4.825 4.340 0.007 0.000 0.274 337 L C -0.668 176.051 176.870 -0.250 0.000 0.999 337 L CA -1.037 53.727 54.840 -0.126 0.000 0.849 337 L CB 1.524 43.584 42.059 0.002 0.000 1.220 337 L HN 0.407 nan 8.230 nan 0.000 0.422 338 V N 0.395 120.179 119.914 -0.215 0.000 2.709 338 V HA 0.498 4.622 4.120 0.007 0.000 0.308 338 V C 0.187 176.185 176.094 -0.161 0.000 1.062 338 V CA -0.588 61.590 62.300 -0.203 0.000 0.901 338 V CB 1.606 33.343 31.823 -0.145 0.000 1.003 338 V HN 0.932 nan 8.190 nan 0.000 0.425 339 N N 1.389 120.004 118.700 -0.142 0.000 2.758 339 N HA -0.155 4.589 4.740 0.007 0.000 0.248 339 N C -0.146 175.334 175.510 -0.050 0.000 1.076 339 N CA 0.668 53.672 53.050 -0.076 0.000 0.696 339 N CB -0.766 37.686 38.487 -0.058 0.000 0.979 339 N HN 0.922 nan 8.380 nan 0.000 0.550 340 C N 0.538 119.806 119.300 -0.054 0.000 2.397 340 C HA 0.461 4.925 4.460 0.007 0.000 0.343 340 C C 0.594 175.659 174.990 0.124 0.000 1.188 340 C CA -0.868 58.153 59.018 0.005 0.000 1.992 340 C CB 1.734 29.471 27.740 -0.006 0.000 2.358 340 C HN 0.195 nan 8.230 nan 0.000 0.518 341 K N 1.106 121.551 120.400 0.075 0.000 2.211 341 K HA 0.389 4.713 4.320 0.007 0.000 0.275 341 K C -0.212 176.488 176.600 0.166 0.000 1.024 341 K CA -0.053 56.267 56.287 0.054 0.000 0.887 341 K CB 0.688 33.133 32.500 -0.091 0.000 1.084 341 K HN 0.821 nan 8.250 nan 0.000 0.463 342 F N 0.791 120.762 119.950 0.036 0.000 2.577 342 F HA 0.285 4.816 4.527 0.007 0.000 0.282 342 F C 1.062 176.914 175.800 0.086 0.000 0.957 342 F CA 0.332 58.379 58.000 0.079 0.000 1.168 342 F CB -0.051 39.019 39.000 0.116 0.000 0.958 342 F HN 0.733 nan 8.300 nan 0.000 0.702 343 G N 1.227 109.743 108.800 -0.474 0.000 3.487 343 G HA2 -0.315 3.649 3.960 0.007 0.000 0.295 343 G HA3 -0.315 3.649 3.960 0.007 0.000 0.295 343 G C -0.077 174.816 174.900 -0.012 0.000 1.454 343 G CA 0.296 45.268 45.100 -0.214 0.000 1.039 343 G HN 0.694 nan 8.290 nan 0.000 0.624 344 Q N 0.395 120.285 119.800 0.150 0.000 2.293 344 Q HA 0.538 4.882 4.340 0.007 0.000 0.251 344 Q C -0.610 175.570 176.000 0.300 0.000 0.930 344 Q CA -0.840 55.080 55.803 0.195 0.000 0.893 344 Q CB 0.698 29.517 28.738 0.136 0.000 1.215 344 Q HN 0.406 nan 8.270 nan 0.000 0.425 345 F N 6.424 126.445 119.950 0.118 0.000 2.578 345 F HA 0.140 4.672 4.527 0.008 0.000 0.381 345 F C -1.713 173.890 175.800 -0.327 0.000 1.069 345 F CA -1.751 56.219 58.000 -0.050 0.000 1.231 345 F CB 0.575 39.483 39.000 -0.153 0.000 1.086 345 F HN 0.403 nan 8.300 nan 0.000 0.564 346 P HA -0.010 nan 4.420 nan 0.000 0.265 346 P C -0.591 176.283 177.300 -0.710 0.000 1.222 346 P CA -0.145 62.170 63.100 -1.309 0.000 0.767 346 P CB 0.125 30.990 31.700 -1.391 0.000 0.801 347 T N 2.418 116.790 114.554 -0.304 0.000 3.781 347 T HA 0.315 4.669 4.350 0.007 0.000 0.286 347 T C 0.645 175.355 174.700 0.017 0.000 1.277 347 T CA -0.618 61.438 62.100 -0.075 0.000 1.136 347 T CB -0.885 67.995 68.868 0.020 0.000 1.202 347 T HN 0.204 nan 8.240 nan 0.000 0.884 348 L N 2.316 123.522 121.223 -0.028 0.000 2.416 348 L HA 0.326 4.670 4.340 0.007 0.000 0.272 348 L C 1.101 178.008 176.870 0.062 0.000 1.161 348 L CA -0.034 54.839 54.840 0.055 0.000 0.845 348 L CB 0.453 42.536 42.059 0.041 0.000 1.119 348 L HN 0.523 nan 8.230 nan 0.000 0.464 349 K N 4.247 124.680 120.400 0.054 0.000 3.012 349 K HA 0.331 4.655 4.320 0.007 0.000 0.207 349 K C -0.999 175.589 176.600 -0.019 0.000 1.130 349 K CA -0.283 56.013 56.287 0.016 0.000 1.021 349 K CB 0.538 33.030 32.500 -0.014 0.000 0.736 349 K HN 0.457 nan 8.250 nan 0.000 0.448 350 L N 2.143 123.380 121.223 0.024 0.000 2.407 350 L HA 0.128 4.472 4.340 0.007 0.000 0.282 350 L C 1.252 178.135 176.870 0.023 0.000 1.110 350 L CA -0.397 54.447 54.840 0.006 0.000 0.863 350 L CB 0.290 42.413 42.059 0.106 0.000 1.207 350 L HN -0.006 nan 8.230 nan 0.000 0.454 351 K N 1.001 121.385 120.400 -0.026 0.000 2.097 351 K HA -0.048 4.276 4.320 0.007 0.000 0.205 351 K C 1.697 178.316 176.600 0.031 0.000 1.050 351 K CA 0.981 57.267 56.287 -0.002 0.000 0.938 351 K CB -0.104 32.374 32.500 -0.037 0.000 0.718 351 K HN 0.515 nan 8.250 nan 0.000 0.442 352 S N 0.993 116.715 115.700 0.036 0.000 2.528 352 S HA 0.017 4.491 4.470 0.007 0.000 0.219 352 S C 0.697 175.365 174.600 0.112 0.000 0.985 352 S CA -0.422 57.818 58.200 0.068 0.000 0.914 352 S CB -0.130 63.109 63.200 0.066 0.000 0.776 352 S HN 0.141 nan 8.310 nan 0.000 0.526 353 L N 2.761 124.068 121.223 0.139 0.000 2.578 353 L HA 0.036 4.380 4.340 0.007 0.000 0.279 353 L C 0.897 177.862 176.870 0.157 0.000 1.227 353 L CA 0.908 55.858 54.840 0.183 0.000 0.900 353 L CB 0.391 42.576 42.059 0.211 0.000 1.144 353 L HN -0.059 nan 8.230 nan 0.000 0.496 354 K N 4.073 124.569 120.400 0.160 0.000 2.329 354 K HA 0.243 4.566 4.320 0.007 0.000 0.198 354 K C -0.143 176.557 176.600 0.166 0.000 1.085 354 K CA 0.164 56.533 56.287 0.137 0.000 0.961 354 K CB 0.555 33.116 32.500 0.101 0.000 0.971 354 K HN 0.561 nan 8.250 nan 0.000 0.502 355 R N 1.040 121.658 120.500 0.196 0.000 2.561 355 R HA 0.415 4.759 4.340 0.007 0.000 0.297 355 R C -1.487 175.016 176.300 0.340 0.000 0.969 355 R CA -0.785 55.473 56.100 0.263 0.000 0.879 355 R CB 1.950 32.289 30.300 0.065 0.000 1.178 355 R HN -0.116 nan 8.270 nan 0.000 0.445 356 L N 1.324 122.761 121.223 0.358 0.000 2.376 356 L HA 0.466 4.809 4.340 0.007 0.000 0.275 356 L C -1.142 175.930 176.870 0.335 0.000 0.987 356 L CA 0.091 55.113 54.840 0.304 0.000 0.828 356 L CB 2.405 44.607 42.059 0.239 0.000 1.249 356 L HN 0.586 nan 8.230 nan 0.000 0.409 357 T N 5.768 120.499 114.554 0.295 0.000 2.842 357 T HA 0.384 4.738 4.350 0.007 0.000 0.308 357 T C -0.919 173.925 174.700 0.240 0.000 1.041 357 T CA 0.170 62.435 62.100 0.274 0.000 0.964 357 T CB 0.095 69.101 68.868 0.229 0.000 0.972 357 T HN 0.373 nan 8.240 nan 0.000 0.460 358 F N 4.547 124.555 119.950 0.098 0.000 2.366 358 F HA 0.451 4.982 4.527 0.005 0.000 0.357 358 F C 0.465 176.310 175.800 0.075 0.000 1.107 358 F CA -0.488 57.546 58.000 0.056 0.000 1.208 358 F CB 0.399 39.451 39.000 0.086 0.000 1.464 358 F HN 0.515 nan 8.300 nan 0.000 0.501 359 T N -0.666 113.810 114.554 -0.129 0.000 2.930 359 T HA 0.447 4.801 4.350 0.007 0.000 0.290 359 T C 0.397 175.004 174.700 -0.156 0.000 1.052 359 T CA -0.409 61.642 62.100 -0.082 0.000 1.017 359 T CB 1.638 70.507 68.868 0.002 0.000 1.137 359 T HN 0.317 nan 8.240 nan 0.000 0.511 360 S N 1.352 117.011 115.700 -0.069 0.000 3.521 360 S HA -0.148 4.326 4.470 0.007 0.000 0.362 360 S C -0.081 174.486 174.600 -0.056 0.000 1.044 360 S CA 0.316 58.484 58.200 -0.053 0.000 1.091 360 S CB -1.924 61.233 63.200 -0.072 0.000 0.908 360 S HN 0.833 nan 8.310 nan 0.000 0.473 361 N N 2.470 121.135 118.700 -0.058 0.000 2.434 361 N HA 0.195 4.939 4.740 0.007 0.000 0.272 361 N C -0.034 175.647 175.510 0.284 0.000 1.040 361 N CA -0.410 52.663 53.050 0.038 0.000 0.956 361 N CB 0.963 39.312 38.487 -0.230 0.000 1.108 361 N HN 0.542 nan 8.380 nan 0.000 0.481 362 K N 0.851 121.358 120.400 0.179 0.000 2.273 362 K HA 0.562 4.886 4.320 0.007 0.000 0.287 362 K C 0.278 176.842 176.600 -0.061 0.000 1.089 362 K CA -0.762 55.574 56.287 0.082 0.000 0.909 362 K CB 0.942 33.457 32.500 0.025 0.000 1.123 362 K HN 0.578 nan 8.250 nan 0.000 0.473 363 G N 2.407 111.021 108.800 -0.310 0.000 3.206 363 G HA2 0.389 4.353 3.960 0.007 0.000 0.146 363 G HA3 0.389 4.353 3.960 0.007 0.000 0.146 363 G C -0.189 174.280 174.900 -0.718 0.000 1.214 363 G CA -0.197 44.318 45.100 -0.975 0.000 1.297 363 G HN 0.633 nan 8.290 nan 0.000 0.659 364 G N -0.068 108.147 108.800 -0.976 0.000 2.489 364 G HA2 0.409 4.373 3.960 0.007 0.000 0.271 364 G HA3 0.409 4.373 3.960 0.007 0.000 0.271 364 G C 0.379 175.292 174.900 0.021 0.000 1.427 364 G CA 0.553 45.506 45.100 -0.245 0.000 1.057 364 G HN 1.142 nan 8.290 nan 0.000 0.532 365 N N -1.529 117.231 118.700 0.100 0.000 2.193 365 N HA 0.335 5.079 4.740 0.007 0.000 0.236 365 N C -0.388 175.182 175.510 0.100 0.000 1.347 365 N CA 0.097 53.225 53.050 0.130 0.000 0.812 365 N CB 1.133 39.672 38.487 0.087 0.000 1.297 365 N HN 0.610 nan 8.380 nan 0.000 0.499 366 A N 0.879 123.754 122.820 0.091 0.000 2.385 366 A HA 0.543 4.867 4.320 0.007 0.000 0.290 366 A C -1.403 176.109 177.584 -0.121 0.000 1.094 366 A CA -0.649 51.381 52.037 -0.012 0.000 0.729 366 A CB 1.029 20.027 19.000 -0.003 0.000 1.194 366 A HN 0.278 nan 8.150 nan 0.000 0.442 367 F N 3.521 123.128 119.950 -0.571 0.000 2.418 367 F HA 0.604 5.134 4.527 0.005 0.000 0.341 367 F C 0.622 176.068 175.800 -0.589 0.000 1.120 367 F CA 0.621 58.013 58.000 -1.013 0.000 1.232 367 F CB 1.173 39.178 39.000 -1.659 0.000 1.175 367 F HN 0.653 nan 8.300 nan 0.000 0.569 368 S N 2.991 117.855 115.700 -1.393 0.000 2.627 368 S HA 0.468 4.942 4.470 0.007 0.000 0.283 368 S C -1.187 172.701 174.600 -1.186 0.000 1.127 368 S CA -1.202 56.489 58.200 -0.848 0.000 0.863 368 S CB 1.348 64.341 63.200 -0.346 0.000 1.121 368 S HN 0.711 nan 8.310 nan 0.000 0.479 369 E N 0.457 120.307 120.200 -0.584 0.000 2.467 369 E HA 0.328 4.682 4.350 0.007 0.000 0.264 369 E C 0.175 176.654 176.600 -0.201 0.000 1.020 369 E CA -0.263 55.933 56.400 -0.339 0.000 0.945 369 E CB 0.371 29.982 29.700 -0.148 0.000 0.942 369 E HN 0.629 nan 8.360 nan 0.000 0.449 370 V N -1.239 118.672 119.914 -0.005 0.000 3.126 370 V HA 0.538 4.662 4.120 0.007 0.000 0.314 370 V C -0.775 175.390 176.094 0.118 0.000 1.138 370 V CA -1.031 61.325 62.300 0.094 0.000 1.034 370 V CB 2.171 34.139 31.823 0.242 0.000 1.075 370 V HN 0.633 nan 8.190 nan 0.000 0.442 371 D N 1.370 121.832 120.400 0.104 0.000 2.405 371 D HA 0.416 5.060 4.640 0.007 0.000 0.264 371 D C -0.816 175.546 176.300 0.103 0.000 1.240 371 D CA -0.157 53.900 54.000 0.096 0.000 0.893 371 D CB 0.400 41.230 40.800 0.049 0.000 1.198 371 D HN 0.660 nan 8.370 nan 0.000 0.514 372 L N 4.616 125.927 121.223 0.148 0.000 2.504 372 L HA 0.385 4.729 4.340 0.007 0.000 0.249 372 L C -1.331 175.617 176.870 0.129 0.000 1.120 372 L CA -1.541 53.381 54.840 0.137 0.000 0.997 372 L CB 1.221 43.382 42.059 0.168 0.000 1.349 372 L HN 0.168 nan 8.230 nan 0.000 0.439 373 P HA -0.187 nan 4.420 nan 0.000 0.217 373 P C 1.025 178.378 177.300 0.088 0.000 1.148 373 P CA 1.296 64.448 63.100 0.086 0.000 0.834 373 P CB 0.451 32.186 31.700 0.058 0.000 0.783 374 S N -1.138 114.615 115.700 0.089 0.000 2.556 374 S HA 0.115 4.589 4.470 0.007 0.000 0.216 374 S C 0.767 175.429 174.600 0.104 0.000 0.970 374 S CA -0.515 57.738 58.200 0.089 0.000 0.912 374 S CB -0.545 62.703 63.200 0.081 0.000 0.790 374 S HN 0.029 nan 8.310 nan 0.000 0.504 375 L N 2.753 124.047 121.223 0.119 0.000 2.540 375 L HA 0.055 4.399 4.340 0.007 0.000 0.276 375 L C 0.844 177.781 176.870 0.111 0.000 1.212 375 L CA 1.199 56.114 54.840 0.125 0.000 0.893 375 L CB 0.295 42.433 42.059 0.132 0.000 1.138 375 L HN 0.128 nan 8.230 nan 0.000 0.491 376 E N 3.386 123.658 120.200 0.121 0.000 2.444 376 E HA 0.092 4.446 4.350 0.007 0.000 0.209 376 E C -0.731 175.954 176.600 0.141 0.000 0.806 376 E CA -0.064 56.407 56.400 0.119 0.000 1.240 376 E CB 0.613 30.382 29.700 0.116 0.000 1.238 376 E HN 0.436 nan 8.360 nan 0.000 0.591 377 F N 2.098 122.044 119.950 -0.007 0.000 2.444 377 F HA 0.476 5.008 4.527 0.007 0.000 0.342 377 F C -1.122 174.664 175.800 -0.022 0.000 1.121 377 F CA -0.805 57.155 58.000 -0.068 0.000 0.997 377 F CB 1.118 40.003 39.000 -0.192 0.000 1.130 377 F HN -0.192 nan 8.300 nan 0.000 0.454 378 L N 6.768 127.708 121.223 -0.472 0.000 2.471 378 L HA 0.320 4.664 4.340 0.007 0.000 0.263 378 L C -1.719 174.996 176.870 -0.258 0.000 0.985 378 L CA -0.418 54.278 54.840 -0.241 0.000 0.868 378 L CB 0.928 42.833 42.059 -0.257 0.000 1.203 378 L HN 0.561 nan 8.230 nan 0.000 0.429 379 D N 4.711 125.056 120.400 -0.092 0.000 2.349 379 D HA 0.301 4.945 4.640 0.007 0.000 0.232 379 D C -0.450 175.961 176.300 0.185 0.000 1.071 379 D CA -0.225 53.810 54.000 0.057 0.000 0.832 379 D CB 1.981 42.893 40.800 0.187 0.000 1.086 379 D HN 0.396 nan 8.370 nan 0.000 0.504 380 L N 3.317 124.655 121.223 0.191 0.000 3.347 380 L HA 0.192 4.536 4.340 0.007 0.000 0.306 380 L C 0.058 177.108 176.870 0.300 0.000 1.301 380 L CA -0.170 54.866 54.840 0.326 0.000 0.985 380 L CB 0.126 42.373 42.059 0.314 0.000 1.400 380 L HN 0.363 nan 8.230 nan 0.000 0.601 381 S N -0.632 115.208 115.700 0.233 0.000 2.617 381 S HA 0.545 5.019 4.470 0.007 0.000 0.269 381 S C 0.649 175.376 174.600 0.211 0.000 1.292 381 S CA -0.523 57.820 58.200 0.239 0.000 1.010 381 S CB 0.872 64.209 63.200 0.228 0.000 0.944 381 S HN 0.376 nan 8.310 nan 0.000 0.536 382 R N 0.719 121.369 120.500 0.250 0.000 3.422 382 R HA -0.127 4.217 4.340 0.007 0.000 0.267 382 R C -0.457 175.950 176.300 0.178 0.000 1.074 382 R CA 0.715 56.916 56.100 0.169 0.000 0.718 382 R CB -2.474 27.813 30.300 -0.022 0.000 1.157 382 R HN 0.719 nan 8.270 nan 0.000 0.440 383 N N -0.479 118.381 118.700 0.266 0.000 2.171 383 N HA 0.082 4.826 4.740 0.007 0.000 0.212 383 N C 1.154 176.857 175.510 0.323 0.000 1.184 383 N CA 0.906 54.144 53.050 0.314 0.000 0.888 383 N CB 1.378 40.127 38.487 0.437 0.000 1.038 383 N HN 0.524 nan 8.380 nan 0.000 0.517 384 G N 1.701 110.670 108.800 0.282 0.000 2.168 384 G HA2 -0.281 3.683 3.960 0.007 0.000 0.257 384 G HA3 -0.281 3.683 3.960 0.007 0.000 0.257 384 G C 0.127 175.182 174.900 0.259 0.000 0.997 384 G CA 0.199 45.444 45.100 0.242 0.000 0.708 384 G HN 0.246 nan 8.290 nan 0.000 0.520 385 L N 0.411 121.828 121.223 0.323 0.000 2.467 385 L HA 0.467 4.811 4.340 0.007 0.000 0.270 385 L C 0.639 177.688 176.870 0.297 0.000 1.205 385 L CA 0.128 55.138 54.840 0.284 0.000 0.828 385 L CB 1.098 43.328 42.059 0.284 0.000 1.101 385 L HN 0.157 nan 8.230 nan 0.000 0.479 386 S N 1.517 117.307 115.700 0.151 0.000 2.561 386 S HA 0.584 5.058 4.470 0.007 0.000 0.303 386 S C -0.808 173.853 174.600 0.101 0.000 1.110 386 S CA -0.496 57.834 58.200 0.218 0.000 1.034 386 S CB 0.965 64.243 63.200 0.129 0.000 1.010 386 S HN 0.242 nan 8.310 nan 0.000 0.482 387 F N 2.680 122.652 119.950 0.036 0.000 2.427 387 F HA 0.380 4.909 4.527 0.004 0.000 0.346 387 F C 1.378 177.189 175.800 0.017 0.000 1.120 387 F CA -0.897 57.125 58.000 0.037 0.000 1.033 387 F CB 1.430 40.404 39.000 -0.043 0.000 1.126 387 F HN 0.586 nan 8.300 nan 0.000 0.462 388 K N 1.373 121.862 120.400 0.148 0.000 2.404 388 K HA 0.401 4.725 4.320 0.007 0.000 0.194 388 K C 0.296 176.931 176.600 0.058 0.000 1.023 388 K CA 0.280 56.615 56.287 0.080 0.000 1.094 388 K CB 0.620 33.142 32.500 0.036 0.000 0.841 388 K HN 0.754 nan 8.250 nan 0.000 0.523 389 G N 1.168 110.015 108.800 0.078 0.000 2.532 389 G HA2 0.241 4.205 3.960 0.007 0.000 0.300 389 G HA3 0.241 4.205 3.960 0.007 0.000 0.300 389 G C -1.635 173.270 174.900 0.008 0.000 1.911 389 G CA -0.593 44.521 45.100 0.024 0.000 0.948 389 G HN 0.172 nan 8.290 nan 0.000 0.453 390 C N 1.659 120.941 119.300 -0.029 0.000 2.397 390 C HA 0.890 5.353 4.460 0.007 0.000 0.343 390 C C 0.317 175.191 174.990 -0.193 0.000 1.188 390 C CA -0.144 58.810 59.018 -0.106 0.000 1.992 390 C CB 0.062 27.730 27.740 -0.120 0.000 2.358 390 C HN 0.852 nan 8.230 nan 0.000 0.518 391 C N 3.100 122.185 119.300 -0.358 0.000 2.609 391 C HA 0.846 5.310 4.460 0.007 0.000 0.313 391 C C -0.119 174.700 174.990 -0.285 0.000 1.175 391 C CA -0.450 58.321 59.018 -0.412 0.000 1.434 391 C CB 0.634 27.849 27.740 -0.876 0.000 2.005 391 C HN 0.982 nan 8.230 nan 0.000 0.471 392 S N 0.176 115.778 115.700 -0.162 0.000 2.705 392 S HA 0.420 4.894 4.470 0.007 0.000 0.280 392 S C 0.431 175.033 174.600 0.004 0.000 1.174 392 S CA -0.264 57.906 58.200 -0.050 0.000 0.823 392 S CB 1.482 64.646 63.200 -0.060 0.000 1.162 392 S HN 0.883 nan 8.310 nan 0.000 0.487 393 Q N 0.800 120.641 119.800 0.069 0.000 2.311 393 Q HA 0.057 4.400 4.340 0.007 0.000 0.203 393 Q C 1.312 177.348 176.000 0.060 0.000 0.954 393 Q CA 1.741 57.619 55.803 0.125 0.000 0.885 393 Q CB -0.365 28.450 28.738 0.128 0.000 0.963 393 Q HN 0.558 nan 8.270 nan 0.000 0.471 394 S N -0.385 115.312 115.700 -0.005 0.000 2.555 394 S HA -0.065 4.409 4.470 0.007 0.000 0.230 394 S C 0.548 175.098 174.600 -0.084 0.000 0.978 394 S CA 0.896 59.081 58.200 -0.025 0.000 0.934 394 S CB 0.021 63.204 63.200 -0.029 0.000 0.766 394 S HN 0.387 nan 8.310 nan 0.000 0.533 395 D N 0.565 120.830 120.400 -0.226 0.000 2.240 395 D HA 0.199 4.843 4.640 0.007 0.000 0.206 395 D C 0.977 177.060 176.300 -0.363 0.000 0.963 395 D CA 0.851 54.609 54.000 -0.403 0.000 0.863 395 D CB -0.068 40.238 40.800 -0.824 0.000 0.973 395 D HN 0.584 nan 8.370 nan 0.000 0.501 396 F N -1.512 118.563 119.950 0.208 0.000 2.712 396 F HA 0.314 4.845 4.527 0.006 0.000 0.297 396 F C 1.737 177.622 175.800 0.141 0.000 1.114 396 F CA -0.032 58.092 58.000 0.206 0.000 1.305 396 F CB 0.781 39.896 39.000 0.192 0.000 1.086 396 F HN -0.029 nan 8.300 nan 0.000 0.599 397 G N 1.415 110.355 108.800 0.233 0.000 2.136 397 G HA2 -0.227 3.737 3.960 0.007 0.000 0.242 397 G HA3 -0.227 3.737 3.960 0.007 0.000 0.242 397 G C 0.109 175.108 174.900 0.164 0.000 0.989 397 G CA 0.503 45.697 45.100 0.157 0.000 0.682 397 G HN 0.423 nan 8.290 nan 0.000 0.522 398 T N -1.222 113.460 114.554 0.214 0.000 2.901 398 T HA 0.722 5.076 4.350 0.007 0.000 0.293 398 T C 0.841 175.645 174.700 0.174 0.000 1.084 398 T CA 0.966 63.172 62.100 0.178 0.000 1.008 398 T CB 1.667 70.645 68.868 0.183 0.000 1.170 398 T HN 0.936 nan 8.240 nan 0.000 0.509 399 T N -0.680 113.956 114.554 0.138 0.000 3.399 399 T HA 0.329 4.683 4.350 0.007 0.000 0.305 399 T C 0.542 175.309 174.700 0.113 0.000 0.983 399 T CA -0.391 61.787 62.100 0.129 0.000 0.967 399 T CB -0.075 68.856 68.868 0.105 0.000 1.186 399 T HN 0.341 nan 8.240 nan 0.000 0.504 400 S N 0.548 116.316 115.700 0.113 0.000 2.666 400 S HA 0.380 4.854 4.470 0.007 0.000 0.239 400 S C 0.415 175.073 174.600 0.097 0.000 1.031 400 S CA -0.555 57.703 58.200 0.097 0.000 1.015 400 S CB 0.240 63.492 63.200 0.088 0.000 0.981 400 S HN 0.478 nan 8.310 nan 0.000 0.547 401 L N 2.767 124.053 121.223 0.105 0.000 2.601 401 L HA 0.035 4.379 4.340 0.007 0.000 0.277 401 L C 0.925 177.843 176.870 0.081 0.000 1.219 401 L CA 0.880 55.767 54.840 0.079 0.000 0.915 401 L CB 0.572 42.669 42.059 0.064 0.000 1.160 401 L HN 0.251 nan 8.230 nan 0.000 0.494 402 K N 3.954 124.405 120.400 0.085 0.000 2.436 402 K HA 0.075 4.399 4.320 0.007 0.000 0.198 402 K C -0.545 176.126 176.600 0.117 0.000 1.174 402 K CA 0.062 56.408 56.287 0.098 0.000 0.951 402 K CB 0.782 33.352 32.500 0.117 0.000 1.040 402 K HN 0.453 nan 8.250 nan 0.000 0.536 403 Y N 0.976 121.217 120.300 -0.097 0.000 2.391 403 Y HA 0.474 5.028 4.550 0.007 0.000 0.341 403 Y C -1.771 173.924 175.900 -0.343 0.000 0.965 403 Y CA -1.487 56.478 58.100 -0.225 0.000 1.067 403 Y CB 1.514 39.746 38.460 -0.380 0.000 1.199 403 Y HN -0.165 nan 8.280 nan 0.000 0.450 404 L N 6.898 127.944 121.223 -0.295 0.000 2.491 404 L HA 0.434 4.778 4.340 0.007 0.000 0.267 404 L C -2.046 174.615 176.870 -0.348 0.000 0.971 404 L CA -0.316 54.356 54.840 -0.281 0.000 0.857 404 L CB 1.622 43.541 42.059 -0.233 0.000 1.226 404 L HN 0.711 nan 8.230 nan 0.000 0.408 405 D N 5.336 125.596 120.400 -0.234 0.000 2.464 405 D HA 0.336 4.980 4.640 0.007 0.000 0.243 405 D C -0.383 175.874 176.300 -0.071 0.000 1.104 405 D CA -0.057 53.861 54.000 -0.138 0.000 0.883 405 D CB 0.868 41.688 40.800 0.033 0.000 1.050 405 D HN 0.661 nan 8.370 nan 0.000 0.524 406 L N 2.779 123.916 121.223 -0.143 0.000 3.094 406 L HA 0.180 4.524 4.340 0.007 0.000 0.254 406 L C 0.782 177.703 176.870 0.084 0.000 1.298 406 L CA -0.411 54.391 54.840 -0.063 0.000 1.050 406 L CB 0.083 42.004 42.059 -0.230 0.000 1.420 406 L HN 0.240 nan 8.230 nan 0.000 0.548 407 S N -1.212 114.580 115.700 0.153 0.000 2.632 407 S HA 0.443 4.917 4.470 0.007 0.000 0.267 407 S C 0.264 175.093 174.600 0.381 0.000 1.276 407 S CA -0.432 57.894 58.200 0.210 0.000 0.998 407 S CB 0.503 63.861 63.200 0.263 0.000 0.953 407 S HN 0.264 nan 8.310 nan 0.000 0.547 408 F N -0.061 119.983 119.950 0.156 0.000 2.905 408 F HA -0.164 4.367 4.527 0.006 0.000 0.291 408 F C 0.303 176.190 175.800 0.144 0.000 1.002 408 F CA 0.401 58.481 58.000 0.133 0.000 0.978 408 F CB -2.193 36.855 39.000 0.079 0.000 1.036 408 F HN 0.670 nan 8.300 nan 0.000 0.820 409 N N -0.446 118.407 118.700 0.255 0.000 3.343 409 N HA 0.697 5.441 4.740 0.007 0.000 0.330 409 N C 0.911 176.543 175.510 0.203 0.000 1.560 409 N CA -0.133 53.074 53.050 0.261 0.000 0.752 409 N CB 0.712 39.384 38.487 0.309 0.000 1.863 409 N HN 0.204 nan 8.380 nan 0.000 0.636 410 G N 0.105 109.033 108.800 0.214 0.000 3.229 410 G HA2 0.291 4.255 3.960 0.007 0.000 0.165 410 G HA3 0.291 4.255 3.960 0.007 0.000 0.165 410 G C -0.300 174.686 174.900 0.142 0.000 1.753 410 G CA -0.015 45.185 45.100 0.166 0.000 1.054 410 G HN 0.259 nan 8.290 nan 0.000 0.544 411 V N 0.822 120.816 119.914 0.133 0.000 2.607 411 V HA 0.391 4.515 4.120 0.007 0.000 0.289 411 V C -0.156 176.009 176.094 0.119 0.000 1.053 411 V CA 0.053 62.411 62.300 0.097 0.000 0.996 411 V CB 1.296 33.165 31.823 0.076 0.000 0.995 411 V HN 0.348 nan 8.190 nan 0.000 0.476 412 I N 3.563 124.150 120.570 0.028 0.000 2.493 412 I HA 0.225 4.399 4.170 0.007 0.000 0.279 412 I C -0.023 176.042 176.117 -0.087 0.000 1.045 412 I CA -0.203 61.086 61.300 -0.017 0.000 1.106 412 I CB 1.654 39.538 38.000 -0.195 0.000 1.216 412 I HN 0.532 nan 8.210 nan 0.000 0.459 413 T N 6.611 121.153 114.554 -0.019 0.000 2.761 413 T HA 0.330 4.684 4.350 0.007 0.000 0.296 413 T C 0.333 174.993 174.700 -0.067 0.000 0.934 413 T CA -0.374 61.700 62.100 -0.043 0.000 1.091 413 T CB 0.503 69.370 68.868 -0.002 0.000 0.896 413 T HN 0.251 nan 8.240 nan 0.000 0.515 414 M N 3.661 123.198 119.600 -0.105 0.000 2.120 414 M HA 0.267 4.750 4.480 0.007 0.000 0.354 414 M C 0.848 177.219 176.300 0.118 0.000 1.287 414 M CA -0.250 55.000 55.300 -0.084 0.000 1.103 414 M CB 0.628 33.080 32.600 -0.247 0.000 1.623 414 M HN 0.807 nan 8.290 nan 0.000 0.471 415 S N 0.006 115.787 115.700 0.136 0.000 2.820 415 S HA 0.231 4.705 4.470 0.007 0.000 0.265 415 S C 0.208 174.797 174.600 -0.017 0.000 1.043 415 S CA -0.519 57.738 58.200 0.096 0.000 1.245 415 S CB 0.519 63.714 63.200 -0.008 0.000 1.187 415 S HN 0.607 nan 8.310 nan 0.000 0.673 416 S N 2.551 118.293 115.700 0.070 0.000 2.603 416 S HA 0.446 4.920 4.470 0.007 0.000 0.274 416 S C -1.513 173.140 174.600 0.089 0.000 1.168 416 S CA -0.634 57.566 58.200 0.000 0.000 0.963 416 S CB 0.639 63.801 63.200 -0.064 0.000 1.078 416 S HN 0.382 nan 8.310 nan 0.000 0.477 417 N N 3.572 122.413 118.700 0.235 0.000 3.254 417 N HA 0.229 4.973 4.740 0.007 0.000 0.308 417 N C -0.384 175.419 175.510 0.487 0.000 1.281 417 N CA -0.479 52.806 53.050 0.391 0.000 1.212 417 N CB -1.230 37.508 38.487 0.417 0.000 1.478 417 N HN 0.586 nan 8.380 nan 0.000 0.548 418 F N -1.525 118.516 119.950 0.152 0.000 3.067 418 F HA -0.248 4.283 4.527 0.006 0.000 0.279 418 F C -0.120 175.759 175.800 0.130 0.000 0.945 418 F CA -0.102 57.993 58.000 0.159 0.000 0.948 418 F CB -1.786 37.328 39.000 0.190 0.000 0.898 418 F HN 0.332 nan 8.300 nan 0.000 0.746 419 L N 0.823 122.165 121.223 0.198 0.000 2.562 419 L HA 0.322 4.666 4.340 0.007 0.000 0.271 419 L C 1.444 178.402 176.870 0.147 0.000 1.167 419 L CA 0.929 55.858 54.840 0.148 0.000 0.917 419 L CB -0.020 42.089 42.059 0.083 0.000 1.187 419 L HN 0.693 nan 8.230 nan 0.000 0.482 420 G N 3.580 112.472 108.800 0.155 0.000 2.179 420 G HA2 -0.241 3.723 3.960 0.007 0.000 0.220 420 G HA3 -0.241 3.723 3.960 0.007 0.000 0.220 420 G C 0.229 175.239 174.900 0.183 0.000 0.990 420 G CA -0.289 44.898 45.100 0.146 0.000 0.646 420 G HN 0.521 nan 8.290 nan 0.000 0.517 421 L N 0.399 121.765 121.223 0.239 0.000 3.209 421 L HA 0.407 4.751 4.340 0.007 0.000 0.279 421 L C 1.548 178.541 176.870 0.203 0.000 1.301 421 L CA -0.418 54.580 54.840 0.263 0.000 1.004 421 L CB 0.708 43.019 42.059 0.419 0.000 1.402 421 L HN 0.008 nan 8.230 nan 0.000 0.577 422 E N 0.439 120.731 120.200 0.154 0.000 2.160 422 E HA -0.222 4.132 4.350 0.007 0.000 0.195 422 E C 1.545 178.191 176.600 0.076 0.000 0.991 422 E CA 1.311 57.776 56.400 0.109 0.000 0.810 422 E CB -0.016 29.741 29.700 0.095 0.000 0.742 422 E HN 0.513 nan 8.360 nan 0.000 0.466 423 Q N -0.085 119.765 119.800 0.082 0.000 2.415 423 Q HA 0.087 4.431 4.340 0.007 0.000 0.206 423 Q C -0.027 176.005 176.000 0.053 0.000 0.946 423 Q CA -0.104 55.738 55.803 0.065 0.000 0.951 423 Q CB 0.125 28.906 28.738 0.072 0.000 1.026 423 Q HN 0.297 nan 8.270 nan 0.000 0.510 424 L N 1.913 123.162 121.223 0.044 0.000 2.562 424 L HA -0.080 4.264 4.340 0.007 0.000 0.271 424 L C 1.028 177.890 176.870 -0.013 0.000 1.167 424 L CA 0.553 55.401 54.840 0.012 0.000 0.917 424 L CB 0.452 42.490 42.059 -0.034 0.000 1.187 424 L HN 0.288 nan 8.230 nan 0.000 0.482 425 E N 1.850 122.062 120.200 0.019 0.000 2.340 425 E HA 0.040 4.394 4.350 0.007 0.000 0.198 425 E C 0.174 176.789 176.600 0.026 0.000 0.961 425 E CA 0.177 56.592 56.400 0.025 0.000 0.905 425 E CB 0.583 30.322 29.700 0.065 0.000 0.884 425 E HN 0.452 nan 8.360 nan 0.000 0.491 426 H N 0.437 119.437 119.070 -0.116 0.000 2.589 426 H HA 0.488 5.048 4.556 0.006 0.000 0.351 426 H C -1.748 173.378 175.328 -0.337 0.000 1.074 426 H CA -0.858 55.059 56.048 -0.218 0.000 1.203 426 H CB 1.664 31.194 29.762 -0.386 0.000 1.558 426 H HN -0.012 nan 8.280 nan 0.000 0.522 427 L N 5.499 126.540 121.223 -0.303 0.000 2.580 427 L HA 0.310 4.654 4.340 0.007 0.000 0.266 427 L C -1.765 174.898 176.870 -0.346 0.000 0.955 427 L CA -0.375 54.272 54.840 -0.322 0.000 0.886 427 L CB 1.723 43.588 42.059 -0.324 0.000 1.263 427 L HN 0.585 nan 8.230 nan 0.000 0.406 428 D N 4.141 124.349 120.400 -0.320 0.000 2.454 428 D HA 0.308 4.952 4.640 0.007 0.000 0.247 428 D C -0.126 176.059 176.300 -0.191 0.000 1.129 428 D CA -0.043 53.862 54.000 -0.159 0.000 0.877 428 D CB 0.514 41.347 40.800 0.055 0.000 1.082 428 D HN 0.503 nan 8.370 nan 0.000 0.537 429 F N 1.157 121.100 119.950 -0.012 0.000 2.727 429 F HA 0.134 4.666 4.527 0.008 0.000 0.302 429 F C 1.568 177.320 175.800 -0.079 0.000 1.097 429 F CA -0.484 57.496 58.000 -0.033 0.000 1.330 429 F CB 0.288 39.285 39.000 -0.005 0.000 1.084 429 F HN 0.274 nan 8.300 nan 0.000 0.578 430 Q N 1.365 121.206 119.800 0.069 0.000 2.485 430 Q HA -0.225 4.119 4.340 0.007 0.000 0.348 430 Q C 0.281 176.121 176.000 -0.267 0.000 1.097 430 Q CA 0.769 56.523 55.803 -0.081 0.000 1.079 430 Q CB -0.014 28.705 28.738 -0.031 0.000 1.108 430 Q HN 0.416 nan 8.270 nan 0.000 0.400 431 H N 0.836 119.699 119.070 -0.346 0.000 2.899 431 H HA -0.136 4.423 4.556 0.004 0.000 0.282 431 H C -1.009 174.150 175.328 -0.282 0.000 1.198 431 H CA 1.055 56.840 56.048 -0.439 0.000 1.140 431 H CB -1.337 27.875 29.762 -0.917 0.000 1.317 431 H HN 0.458 nan 8.280 nan 0.000 0.375 432 S N 0.430 116.070 115.700 -0.100 0.000 2.502 432 S HA 0.169 4.643 4.470 0.007 0.000 0.304 432 S C 0.346 174.910 174.600 -0.061 0.000 1.097 432 S CA -0.797 57.391 58.200 -0.019 0.000 1.045 432 S CB 2.003 65.233 63.200 0.049 0.000 1.019 432 S HN 0.418 nan 8.310 nan 0.000 0.481 433 N N 3.295 121.989 118.700 -0.011 0.000 2.423 433 N HA 0.108 4.852 4.740 0.007 0.000 0.275 433 N C -0.887 174.604 175.510 -0.032 0.000 1.283 433 N CA -0.003 53.061 53.050 0.024 0.000 0.932 433 N CB 0.171 38.737 38.487 0.130 0.000 1.185 433 N HN 0.488 nan 8.380 nan 0.000 0.483 434 L N 3.533 124.701 121.223 -0.091 0.000 2.325 434 L HA 0.414 4.758 4.340 0.007 0.000 0.279 434 L C -0.083 176.709 176.870 -0.129 0.000 1.054 434 L CA -0.434 54.298 54.840 -0.181 0.000 0.804 434 L CB 1.212 43.101 42.059 -0.282 0.000 1.200 434 L HN 0.488 nan 8.230 nan 0.000 0.436 435 K N 2.689 123.003 120.400 -0.144 0.000 2.426 435 K HA 0.420 4.744 4.320 0.007 0.000 0.251 435 K C -0.836 175.679 176.600 -0.141 0.000 0.941 435 K CA -0.733 55.487 56.287 -0.111 0.000 0.808 435 K CB 2.046 34.508 32.500 -0.064 0.000 1.265 435 K HN 0.532 nan 8.250 nan 0.000 0.432 436 Q N 1.268 120.990 119.800 -0.131 0.000 2.506 436 Q HA -0.216 4.128 4.340 0.007 0.000 0.268 436 Q C 0.740 176.571 176.000 -0.282 0.000 1.002 436 Q CA 0.440 56.157 55.803 -0.142 0.000 1.052 436 Q CB -1.310 27.395 28.738 -0.056 0.000 1.383 436 Q HN 0.686 nan 8.270 nan 0.000 0.537 437 M N -0.253 119.176 119.600 -0.286 0.000 2.086 437 M HA -0.064 4.420 4.480 0.007 0.000 0.261 437 M C 1.133 177.212 176.300 -0.368 0.000 1.067 437 M CA 1.763 56.846 55.300 -0.362 0.000 1.116 437 M CB -0.285 32.155 32.600 -0.266 0.000 1.348 437 M HN 0.121 nan 8.290 nan 0.000 0.407 438 S N 0.243 115.794 115.700 -0.249 0.000 2.945 438 S HA 0.174 4.648 4.470 0.007 0.000 0.227 438 S C 0.763 175.219 174.600 -0.241 0.000 1.353 438 S CA -0.170 57.932 58.200 -0.163 0.000 1.236 438 S CB 0.052 63.204 63.200 -0.080 0.000 1.069 438 S HN 0.350 nan 8.310 nan 0.000 0.509 439 E N 0.769 120.773 120.200 -0.326 0.000 2.606 439 E HA 0.334 4.687 4.350 0.007 0.000 0.224 439 E C -0.171 176.367 176.600 -0.104 0.000 0.930 439 E CA -0.188 56.092 56.400 -0.201 0.000 1.125 439 E CB 0.701 30.387 29.700 -0.023 0.000 1.123 439 E HN 0.610 nan 8.360 nan 0.000 0.522 440 F N -3.933 115.778 119.950 -0.398 0.000 3.441 440 F HA 0.321 4.851 4.527 0.006 0.000 0.328 440 F C -1.352 174.425 175.800 -0.038 0.000 1.037 440 F CA -1.325 56.490 58.000 -0.309 0.000 0.825 440 F CB 0.586 39.475 39.000 -0.185 0.000 1.585 440 F HN -0.402 nan 8.300 nan 0.000 0.450 441 S N 1.618 117.470 115.700 0.254 0.000 2.681 441 S HA 0.344 4.818 4.470 0.007 0.000 0.313 441 S C 1.172 175.774 174.600 0.004 0.000 1.137 441 S CA -0.167 58.119 58.200 0.145 0.000 1.045 441 S CB 0.534 63.892 63.200 0.264 0.000 1.208 441 S HN 1.054 nan 8.310 nan 0.000 0.523 442 V N 0.300 119.906 119.914 -0.512 0.000 2.594 442 V HA -0.047 4.077 4.120 0.007 0.000 0.253 442 V C 0.890 176.873 176.094 -0.185 0.000 1.069 442 V CA 1.524 63.506 62.300 -0.530 0.000 1.082 442 V CB -0.829 30.403 31.823 -0.985 0.000 0.680 442 V HN 0.690 nan 8.190 nan 0.000 0.469 443 F N -0.568 119.482 119.950 0.167 0.000 2.641 443 F HA 0.461 4.991 4.527 0.006 0.000 0.302 443 F C 1.553 177.417 175.800 0.107 0.000 1.098 443 F CA -0.609 57.458 58.000 0.112 0.000 1.318 443 F CB -0.296 38.737 39.000 0.054 0.000 1.035 443 F HN 0.075 nan 8.300 nan 0.000 0.551 444 L N -0.331 121.057 121.223 0.273 0.000 2.263 444 L HA -0.234 4.110 4.340 0.007 0.000 0.216 444 L C 2.099 179.079 176.870 0.184 0.000 1.111 444 L CA 1.679 56.650 54.840 0.218 0.000 0.773 444 L CB -0.601 41.584 42.059 0.211 0.000 0.906 444 L HN 0.048 nan 8.230 nan 0.000 0.439 445 S N -1.413 114.410 115.700 0.204 0.000 2.503 445 S HA 0.176 4.650 4.470 0.007 0.000 0.217 445 S C 0.696 175.361 174.600 0.108 0.000 0.999 445 S CA -0.302 57.996 58.200 0.165 0.000 0.914 445 S CB 0.043 63.373 63.200 0.215 0.000 0.782 445 S HN 0.076 nan 8.310 nan 0.000 0.520 446 L N 3.734 124.995 121.223 0.063 0.000 2.511 446 L HA 0.170 4.514 4.340 0.007 0.000 0.239 446 L C 1.501 178.372 176.870 0.001 0.000 1.400 446 L CA 0.287 55.115 54.840 -0.021 0.000 1.226 446 L CB -1.047 40.922 42.059 -0.150 0.000 1.475 446 L HN 0.288 nan 8.230 nan 0.000 0.428 447 R N -1.363 119.154 120.500 0.029 0.000 2.237 447 R HA -0.014 4.330 4.340 0.007 0.000 0.219 447 R C 0.815 177.121 176.300 0.010 0.000 1.080 447 R CA 0.939 57.055 56.100 0.027 0.000 0.995 447 R CB -0.131 30.193 30.300 0.040 0.000 0.875 447 R HN 0.295 nan 8.270 nan 0.000 0.462 448 N N 0.382 119.083 118.700 0.002 0.000 2.184 448 N HA 0.057 4.801 4.740 0.007 0.000 0.206 448 N C -0.332 175.164 175.510 -0.023 0.000 1.151 448 N CA -0.316 52.733 53.050 -0.002 0.000 0.878 448 N CB 0.392 38.888 38.487 0.015 0.000 1.014 448 N HN 0.102 nan 8.380 nan 0.000 0.512 449 L N 1.585 122.774 121.223 -0.056 0.000 2.559 449 L HA 0.050 4.394 4.340 0.007 0.000 0.274 449 L C 1.044 177.861 176.870 -0.089 0.000 1.205 449 L CA 0.587 55.369 54.840 -0.097 0.000 0.907 449 L CB 0.309 42.262 42.059 -0.176 0.000 1.153 449 L HN 0.035 nan 8.230 nan 0.000 0.490 450 I N 4.416 124.947 120.570 -0.065 0.000 3.445 450 I HA 0.072 4.246 4.170 0.007 0.000 0.288 450 I C -0.426 175.658 176.117 -0.056 0.000 1.198 450 I CA -0.105 61.169 61.300 -0.043 0.000 1.417 450 I CB 0.210 38.213 38.000 0.006 0.000 1.205 450 I HN 0.536 nan 8.210 nan 0.000 0.448 451 Y N 1.662 121.814 120.300 -0.247 0.000 2.393 451 Y HA 0.669 5.222 4.550 0.006 0.000 0.341 451 Y C -1.197 174.439 175.900 -0.440 0.000 0.988 451 Y CA -1.237 56.647 58.100 -0.360 0.000 1.078 451 Y CB 1.760 39.925 38.460 -0.491 0.000 1.203 451 Y HN -0.096 nan 8.280 nan 0.000 0.453 452 L N 6.673 127.392 121.223 -0.840 0.000 2.580 452 L HA 0.420 4.764 4.340 0.007 0.000 0.266 452 L C -2.215 174.273 176.870 -0.637 0.000 0.955 452 L CA -0.315 54.151 54.840 -0.624 0.000 0.886 452 L CB 1.656 43.411 42.059 -0.507 0.000 1.263 452 L HN 0.715 nan 8.230 nan 0.000 0.406 453 D N 5.444 125.577 120.400 -0.445 0.000 2.425 453 D HA 0.446 5.090 4.640 0.007 0.000 0.240 453 D C 0.023 176.288 176.300 -0.057 0.000 1.080 453 D CA -0.229 53.617 54.000 -0.258 0.000 0.836 453 D CB 1.294 42.009 40.800 -0.141 0.000 1.125 453 D HN 0.633 nan 8.370 nan 0.000 0.525 454 I N 0.401 120.960 120.570 -0.018 0.000 3.491 454 I HA 0.333 4.506 4.170 0.007 0.000 0.332 454 I C -0.315 175.788 176.117 -0.025 0.000 1.565 454 I CA -0.670 60.665 61.300 0.058 0.000 1.050 454 I CB 0.525 38.602 38.000 0.129 0.000 1.348 454 I HN -0.064 nan 8.210 nan 0.000 0.506 455 S N 1.657 117.328 115.700 -0.047 0.000 2.560 455 S HA 0.125 4.599 4.470 0.007 0.000 0.284 455 S C 0.619 175.128 174.600 -0.151 0.000 1.327 455 S CA 0.155 58.304 58.200 -0.085 0.000 1.055 455 S CB -0.220 63.018 63.200 0.064 0.000 0.868 455 S HN 0.591 nan 8.310 nan 0.000 0.506 456 H N -0.148 118.741 119.070 -0.301 0.000 2.655 456 H HA -0.141 4.418 4.556 0.005 0.000 0.313 456 H C 0.936 175.967 175.328 -0.494 0.000 1.141 456 H CA 1.006 56.789 56.048 -0.440 0.000 1.138 456 H CB -2.284 27.026 29.762 -0.753 0.000 1.446 456 H HN 0.816 nan 8.280 nan 0.000 0.415 457 T N -4.141 110.265 114.554 -0.246 0.000 3.186 457 T HA 0.161 4.515 4.350 0.007 0.000 0.257 457 T C 0.441 175.062 174.700 -0.131 0.000 1.029 457 T CA 0.095 62.066 62.100 -0.215 0.000 0.916 457 T CB -0.181 68.613 68.868 -0.122 0.000 1.041 457 T HN 0.740 nan 8.240 nan 0.000 0.562 458 H N 0.520 119.538 119.070 -0.087 0.000 2.791 458 H HA -0.137 4.426 4.556 0.012 0.000 0.302 458 H C -0.348 174.917 175.328 -0.105 0.000 1.198 458 H CA 0.355 56.355 56.048 -0.080 0.000 1.145 458 H CB -2.098 27.633 29.762 -0.052 0.000 1.385 458 H HN 0.410 nan 8.280 nan 0.000 0.409 459 T N 0.549 115.084 114.554 -0.033 0.000 2.904 459 T HA 0.341 4.695 4.350 0.007 0.000 0.290 459 T C 0.858 175.474 174.700 -0.141 0.000 1.018 459 T CA -0.464 61.573 62.100 -0.106 0.000 1.075 459 T CB 1.432 70.212 68.868 -0.147 0.000 0.986 459 T HN 0.313 nan 8.240 nan 0.000 0.523 460 R N 2.125 122.529 120.500 -0.161 0.000 2.629 460 R HA 0.370 4.714 4.340 0.007 0.000 0.275 460 R C -1.339 174.846 176.300 -0.192 0.000 1.719 460 R CA -0.417 55.587 56.100 -0.159 0.000 1.472 460 R CB -0.396 29.850 30.300 -0.089 0.000 1.237 460 R HN 0.451 nan 8.270 nan 0.000 0.589 461 V N 2.516 122.226 119.914 -0.339 0.000 2.539 461 V HA 0.252 4.376 4.120 0.007 0.000 0.300 461 V C 0.979 177.022 176.094 -0.085 0.000 1.019 461 V CA 1.014 63.140 62.300 -0.290 0.000 1.160 461 V CB 0.766 32.280 31.823 -0.515 0.000 0.901 461 V HN 0.812 nan 8.190 nan 0.000 0.481 462 A N 5.343 128.149 122.820 -0.023 0.000 2.602 462 A HA 0.592 4.916 4.320 0.007 0.000 0.238 462 A C -0.609 177.062 177.584 0.145 0.000 0.863 462 A CA -0.169 51.900 52.037 0.053 0.000 1.148 462 A CB 0.293 19.305 19.000 0.021 0.000 1.227 462 A HN 0.843 nan 8.150 nan 0.000 0.460 463 F N 0.239 120.138 119.950 -0.085 0.000 2.722 463 F HA 0.412 4.943 4.527 0.006 0.000 0.336 463 F C -0.355 175.390 175.800 -0.092 0.000 1.216 463 F CA -1.237 56.713 58.000 -0.084 0.000 1.065 463 F CB 1.002 39.933 39.000 -0.115 0.000 1.325 463 F HN 0.007 nan 8.300 nan 0.000 0.524 464 N N 2.731 121.169 118.700 -0.436 0.000 2.567 464 N HA 0.152 4.896 4.740 0.007 0.000 0.195 464 N C 1.339 176.428 175.510 -0.702 0.000 1.242 464 N CA 0.973 53.758 53.050 -0.443 0.000 0.884 464 N CB 0.311 38.657 38.487 -0.236 0.000 1.007 464 N HN 0.747 nan 8.380 nan 0.000 0.450 465 G N -0.794 107.147 108.800 -1.432 0.000 3.519 465 G HA2 0.061 4.025 3.960 0.007 0.000 0.269 465 G HA3 0.061 4.025 3.960 0.007 0.000 0.269 465 G C 1.104 175.717 174.900 -0.477 0.000 1.028 465 G CA -0.381 44.092 45.100 -1.045 0.000 0.809 465 G HN 0.325 nan 8.290 nan 0.000 0.521 466 I N -0.792 119.515 120.570 -0.438 0.000 2.315 466 I HA -0.079 4.095 4.170 0.007 0.000 0.251 466 I C 1.203 177.114 176.117 -0.342 0.000 1.125 466 I CA 1.365 62.456 61.300 -0.347 0.000 1.392 466 I CB 0.094 37.728 38.000 -0.610 0.000 1.065 466 I HN 0.230 nan 8.210 nan 0.000 0.424 467 F N 0.317 120.283 119.950 0.028 0.000 2.654 467 F HA 0.266 4.798 4.527 0.007 0.000 0.303 467 F C 0.583 176.426 175.800 0.072 0.000 1.099 467 F CA -0.671 57.385 58.000 0.093 0.000 1.270 467 F CB -0.230 38.783 39.000 0.022 0.000 1.024 467 F HN -0.083 nan 8.300 nan 0.000 0.548 468 N N 1.123 119.930 118.700 0.178 0.000 2.447 468 N HA 0.255 4.999 4.740 0.007 0.000 0.263 468 N C 1.045 176.654 175.510 0.164 0.000 1.226 468 N CA 0.936 54.065 53.050 0.132 0.000 0.906 468 N CB 0.674 39.210 38.487 0.082 0.000 1.060 468 N HN 0.501 nan 8.380 nan 0.000 0.468 469 G N 1.865 110.742 108.800 0.128 0.000 2.352 469 G HA2 -0.225 3.739 3.960 0.007 0.000 0.204 469 G HA3 -0.225 3.739 3.960 0.007 0.000 0.204 469 G C 0.309 175.260 174.900 0.085 0.000 1.004 469 G CA -0.613 44.556 45.100 0.115 0.000 0.648 469 G HN 0.469 nan 8.290 nan 0.000 0.491 470 L N 3.236 124.513 121.223 0.090 0.000 2.511 470 L HA 0.246 4.590 4.340 0.007 0.000 0.239 470 L C 1.908 178.779 176.870 0.001 0.000 1.400 470 L CA 0.150 55.002 54.840 0.020 0.000 1.226 470 L CB -0.112 41.940 42.059 -0.011 0.000 1.475 470 L HN 0.247 nan 8.230 nan 0.000 0.428 471 S N -0.226 115.481 115.700 0.012 0.000 2.349 471 S HA -0.169 4.305 4.470 0.007 0.000 0.216 471 S C 1.986 176.580 174.600 -0.010 0.000 1.033 471 S CA 1.634 59.839 58.200 0.008 0.000 1.021 471 S CB -0.087 63.123 63.200 0.017 0.000 0.968 471 S HN 0.600 nan 8.310 nan 0.000 0.426 472 S N 1.461 117.153 115.700 -0.014 0.000 2.465 472 S HA 0.015 4.489 4.470 0.007 0.000 0.241 472 S C 0.615 175.190 174.600 -0.041 0.000 1.000 472 S CA 0.031 58.219 58.200 -0.020 0.000 0.964 472 S CB -0.612 62.580 63.200 -0.014 0.000 0.763 472 S HN 0.293 nan 8.310 nan 0.000 0.512 473 L N 2.319 123.502 121.223 -0.066 0.000 2.653 473 L HA -0.097 4.247 4.340 0.007 0.000 0.288 473 L C 0.942 177.757 176.870 -0.091 0.000 1.243 473 L CA 1.052 55.828 54.840 -0.106 0.000 0.906 473 L CB 0.230 42.197 42.059 -0.153 0.000 1.154 473 L HN 0.129 nan 8.230 nan 0.000 0.498 474 E N 2.454 122.600 120.200 -0.090 0.000 2.441 474 E HA 0.196 4.550 4.350 0.007 0.000 0.212 474 E C -0.652 175.909 176.600 -0.065 0.000 0.840 474 E CA -0.030 56.334 56.400 -0.060 0.000 1.143 474 E CB 0.806 30.492 29.700 -0.024 0.000 1.153 474 E HN 0.434 nan 8.360 nan 0.000 0.539 475 V N 2.010 121.846 119.914 -0.129 0.000 2.769 475 V HA 0.406 4.530 4.120 0.007 0.000 0.312 475 V C -0.960 174.938 176.094 -0.325 0.000 1.061 475 V CA -0.867 61.323 62.300 -0.184 0.000 0.931 475 V CB 2.687 34.355 31.823 -0.258 0.000 1.010 475 V HN 0.085 nan 8.190 nan 0.000 0.433 476 L N 4.079 125.146 121.223 -0.260 0.000 2.620 476 L HA 0.495 4.839 4.340 0.007 0.000 0.261 476 L C -0.991 175.767 176.870 -0.186 0.000 0.978 476 L CA -0.247 54.412 54.840 -0.302 0.000 0.897 476 L CB 1.596 43.470 42.059 -0.309 0.000 1.207 476 L HN 0.720 nan 8.230 nan 0.000 0.425 477 K N 6.704 126.963 120.400 -0.235 0.000 2.347 477 K HA 0.444 4.768 4.320 0.007 0.000 0.262 477 K C 0.422 176.984 176.600 -0.064 0.000 1.052 477 K CA -0.285 55.939 56.287 -0.106 0.000 0.946 477 K CB 1.139 33.564 32.500 -0.126 0.000 1.220 477 K HN 0.687 nan 8.250 nan 0.000 0.450 478 M N 0.148 119.744 119.600 -0.006 0.000 2.876 478 M HA 0.381 4.865 4.480 0.007 0.000 0.367 478 M C -0.135 176.155 176.300 -0.017 0.000 1.242 478 M CA -0.587 54.725 55.300 0.021 0.000 0.889 478 M CB 0.876 33.560 32.600 0.139 0.000 1.353 478 M HN 0.301 nan 8.290 nan 0.000 0.511 479 A N 0.770 123.549 122.820 -0.068 0.000 2.387 479 A HA 0.588 4.912 4.320 0.007 0.000 0.251 479 A C 1.526 178.853 177.584 -0.429 0.000 1.113 479 A CA 0.666 52.614 52.037 -0.149 0.000 0.794 479 A CB -0.700 18.248 19.000 -0.086 0.000 1.069 479 A HN 1.407 nan 8.150 nan 0.000 0.506 480 G N -0.568 107.921 108.800 -0.519 0.000 2.205 480 G HA2 -0.303 3.661 3.960 0.007 0.000 0.269 480 G HA3 -0.303 3.661 3.960 0.007 0.000 0.269 480 G C 0.500 175.218 174.900 -0.303 0.000 0.977 480 G CA 0.917 45.615 45.100 -0.670 0.000 0.652 480 G HN 0.779 nan 8.290 nan 0.000 0.539 481 N N 0.132 118.723 118.700 -0.183 0.000 2.607 481 N HA 0.655 5.399 4.740 0.007 0.000 0.284 481 N C 0.670 176.160 175.510 -0.033 0.000 1.365 481 N CA 0.765 53.752 53.050 -0.105 0.000 0.862 481 N CB 0.510 38.903 38.487 -0.156 0.000 1.107 481 N HN 1.052 nan 8.380 nan 0.000 0.463 482 S N -1.235 114.412 115.700 -0.087 0.000 2.611 482 S HA 0.617 5.091 4.470 0.007 0.000 0.270 482 S C -1.862 172.659 174.600 -0.132 0.000 1.131 482 S CA -0.870 57.348 58.200 0.031 0.000 0.826 482 S CB 0.300 63.521 63.200 0.035 0.000 1.095 482 S HN 0.201 nan 8.310 nan 0.000 0.461 483 F N 1.170 121.139 119.950 0.032 0.000 2.579 483 F HA 0.586 5.118 4.527 0.008 0.000 0.324 483 F C 0.425 176.249 175.800 0.040 0.000 1.058 483 F CA -0.713 57.309 58.000 0.037 0.000 0.944 483 F CB 1.832 40.860 39.000 0.047 0.000 1.245 483 F HN 0.820 nan 8.300 nan 0.000 0.477 484 Q N 1.370 121.310 119.800 0.233 0.000 2.271 484 Q HA 0.112 4.456 4.340 0.007 0.000 0.273 484 Q C 0.086 176.190 176.000 0.173 0.000 1.051 484 Q CA 0.414 56.305 55.803 0.147 0.000 0.901 484 Q CB 0.450 29.256 28.738 0.112 0.000 1.174 484 Q HN 0.683 nan 8.270 nan 0.000 0.385 485 E N 3.276 123.545 120.200 0.116 0.000 3.916 485 E HA -0.351 4.003 4.350 0.007 0.000 0.331 485 E C -0.560 176.115 176.600 0.126 0.000 0.729 485 E CA 1.497 57.955 56.400 0.096 0.000 1.222 485 E CB -1.697 28.046 29.700 0.073 0.000 1.633 485 E HN 1.112 nan 8.360 nan 0.000 0.437 486 N N -1.852 116.945 118.700 0.161 0.000 2.800 486 N HA -0.274 4.470 4.740 0.007 0.000 0.250 486 N C -0.464 175.090 175.510 0.075 0.000 1.078 486 N CA 0.694 53.817 53.050 0.121 0.000 0.804 486 N CB -1.228 37.295 38.487 0.061 0.000 1.135 486 N HN 0.325 nan 8.380 nan 0.000 0.565 487 F N 1.590 121.515 119.950 -0.042 0.000 2.427 487 F HA 0.521 5.051 4.527 0.005 0.000 0.346 487 F C -0.199 175.501 175.800 -0.165 0.000 1.120 487 F CA -1.129 56.810 58.000 -0.102 0.000 1.033 487 F CB 0.845 39.809 39.000 -0.060 0.000 1.126 487 F HN -0.063 nan 8.300 nan 0.000 0.462 488 L N 9.652 130.323 121.223 -0.919 0.000 2.312 488 L HA 0.518 4.862 4.340 0.007 0.000 0.287 488 L C -2.525 173.808 176.870 -0.895 0.000 1.091 488 L CA -2.018 52.288 54.840 -0.889 0.000 0.846 488 L CB -0.199 41.445 42.059 -0.691 0.000 1.219 488 L HN 0.446 nan 8.230 nan 0.000 0.439 489 P HA 0.075 nan 4.420 nan 0.000 0.282 489 P C -0.816 176.361 177.300 -0.206 0.000 1.286 489 P CA -0.269 62.740 63.100 -0.152 0.000 0.777 489 P CB 0.494 32.242 31.700 0.078 0.000 1.184 490 D N 0.861 121.194 120.400 -0.112 0.000 2.713 490 D HA 0.096 4.740 4.640 0.007 0.000 0.229 490 D C 0.926 177.124 176.300 -0.170 0.000 1.136 490 D CA 0.276 54.203 54.000 -0.121 0.000 1.010 490 D CB -0.253 40.513 40.800 -0.056 0.000 1.084 490 D HN 0.314 nan 8.370 nan 0.000 0.495 491 I N -3.158 117.199 120.570 -0.355 0.000 3.956 491 I HA 0.121 4.295 4.170 0.007 0.000 0.333 491 I C 0.570 176.482 176.117 -0.342 0.000 1.302 491 I CA -0.084 60.992 61.300 -0.373 0.000 1.122 491 I CB -0.079 37.684 38.000 -0.395 0.000 1.013 491 I HN -0.130 nan 8.210 nan 0.000 0.405 492 F N 1.788 121.786 119.950 0.079 0.000 2.695 492 F HA 0.130 4.660 4.527 0.006 0.000 0.303 492 F C 2.462 178.269 175.800 0.012 0.000 1.091 492 F CA 0.461 58.483 58.000 0.036 0.000 1.300 492 F CB -0.659 38.365 39.000 0.039 0.000 1.071 492 F HN 0.083 nan 8.300 nan 0.000 0.578 493 T N -2.569 112.056 114.554 0.118 0.000 3.052 493 T HA -0.214 4.140 4.350 0.007 0.000 0.270 493 T C 1.511 176.245 174.700 0.057 0.000 1.147 493 T CA 1.635 63.777 62.100 0.069 0.000 1.089 493 T CB -0.183 68.699 68.868 0.023 0.000 0.875 493 T HN 0.482 nan 8.240 nan 0.000 0.541 494 E N 0.055 120.294 120.200 0.067 0.000 2.465 494 E HA 0.232 4.586 4.350 0.007 0.000 0.209 494 E C 0.270 176.898 176.600 0.047 0.000 0.951 494 E CA -0.227 56.204 56.400 0.051 0.000 0.997 494 E CB 0.289 30.020 29.700 0.053 0.000 1.025 494 E HN 0.520 nan 8.360 nan 0.000 0.500 495 L N 2.638 123.896 121.223 0.060 0.000 2.382 495 L HA 0.181 4.525 4.340 0.007 0.000 0.259 495 L C 1.465 178.340 176.870 0.010 0.000 1.291 495 L CA -0.380 54.474 54.840 0.024 0.000 1.176 495 L CB -0.133 41.938 42.059 0.020 0.000 1.373 495 L HN 0.016 nan 8.230 nan 0.000 0.426 496 R N 1.840 122.343 120.500 0.005 0.000 2.070 496 R HA -0.090 4.254 4.340 0.007 0.000 0.227 496 R C 1.361 177.653 176.300 -0.015 0.000 1.147 496 R CA 1.471 57.572 56.100 -0.000 0.000 0.924 496 R CB -0.424 29.879 30.300 0.005 0.000 0.827 496 R HN 0.540 nan 8.270 nan 0.000 0.431 497 N N 1.195 119.885 118.700 -0.017 0.000 2.635 497 N HA -0.081 4.663 4.740 0.007 0.000 0.191 497 N C 0.307 175.796 175.510 -0.035 0.000 1.155 497 N CA 0.087 53.124 53.050 -0.021 0.000 0.927 497 N CB -0.151 38.326 38.487 -0.016 0.000 0.976 497 N HN 0.099 nan 8.380 nan 0.000 0.448 498 L N 1.894 123.087 121.223 -0.051 0.000 2.745 498 L HA -0.077 4.267 4.340 0.007 0.000 0.273 498 L C 1.279 178.103 176.870 -0.076 0.000 1.156 498 L CA 1.084 55.877 54.840 -0.078 0.000 0.982 498 L CB -0.085 41.910 42.059 -0.106 0.000 1.295 498 L HN 0.310 nan 8.230 nan 0.000 0.483 499 T N 2.253 116.780 114.554 -0.046 0.000 2.990 499 T HA 0.110 4.464 4.350 0.007 0.000 0.250 499 T C 0.184 174.884 174.700 0.001 0.000 1.041 499 T CA -0.154 61.930 62.100 -0.026 0.000 1.010 499 T CB 0.153 69.027 68.868 0.011 0.000 1.003 499 T HN 0.294 nan 8.240 nan 0.000 0.499 500 F N 0.770 120.623 119.950 -0.162 0.000 2.576 500 F HA 0.704 5.235 4.527 0.006 0.000 0.313 500 F C -1.917 173.741 175.800 -0.236 0.000 1.078 500 F CA -1.640 56.253 58.000 -0.178 0.000 0.921 500 F CB 2.334 41.251 39.000 -0.139 0.000 1.232 500 F HN 0.046 nan 8.300 nan 0.000 0.459 501 L N 5.634 126.652 121.223 -0.342 0.000 2.752 501 L HA 0.336 4.680 4.340 0.007 0.000 0.257 501 L C -1.856 174.844 176.870 -0.284 0.000 0.968 501 L CA -0.316 54.370 54.840 -0.256 0.000 0.953 501 L CB 0.855 42.657 42.059 -0.428 0.000 1.286 501 L HN 0.581 nan 8.230 nan 0.000 0.443 502 D N 4.202 124.577 120.400 -0.042 0.000 2.256 502 D HA 0.418 5.062 4.640 0.007 0.000 0.250 502 D C -0.059 176.223 176.300 -0.031 0.000 1.093 502 D CA 0.161 54.148 54.000 -0.023 0.000 0.882 502 D CB 1.522 42.398 40.800 0.127 0.000 1.185 502 D HN 0.737 nan 8.370 nan 0.000 0.437 503 L N 2.554 123.753 121.223 -0.040 0.000 3.524 503 L HA 0.063 4.407 4.340 0.007 0.000 0.337 503 L C 0.479 177.373 176.870 0.040 0.000 1.330 503 L CA -0.215 54.652 54.840 0.045 0.000 0.966 503 L CB 0.436 42.522 42.059 0.046 0.000 1.395 503 L HN 0.314 nan 8.230 nan 0.000 0.616 504 S N -1.313 114.389 115.700 0.004 0.000 2.634 504 S HA 0.209 4.683 4.470 0.007 0.000 0.261 504 S C 0.733 175.341 174.600 0.014 0.000 1.271 504 S CA -0.305 57.903 58.200 0.013 0.000 0.985 504 S CB 0.891 64.102 63.200 0.018 0.000 0.968 504 S HN 0.421 nan 8.310 nan 0.000 0.568 505 Q N -1.893 117.915 119.800 0.013 0.000 2.401 505 Q HA -0.225 4.119 4.340 0.007 0.000 0.244 505 Q C 0.283 176.277 176.000 -0.009 0.000 0.941 505 Q CA 0.914 56.683 55.803 -0.057 0.000 1.179 505 Q CB -2.727 25.937 28.738 -0.123 0.000 1.665 505 Q HN 0.715 nan 8.270 nan 0.000 0.547 506 C N 0.477 119.829 119.300 0.086 0.000 2.480 506 C HA 0.065 4.529 4.460 0.007 0.000 0.317 506 C C 1.189 176.299 174.990 0.199 0.000 1.300 506 C CA 0.212 59.334 59.018 0.174 0.000 1.706 506 C CB -0.972 26.986 27.740 0.363 0.000 1.840 506 C HN 0.561 nan 8.230 nan 0.000 0.596 507 Q N -0.810 119.073 119.800 0.138 0.000 2.422 507 Q HA -0.237 4.107 4.340 0.007 0.000 0.245 507 Q C -0.009 176.057 176.000 0.110 0.000 0.922 507 Q CA 0.570 56.451 55.803 0.130 0.000 1.192 507 Q CB -1.463 27.342 28.738 0.111 0.000 1.641 507 Q HN 0.702 nan 8.270 nan 0.000 0.552 508 L N 0.662 121.953 121.223 0.113 0.000 2.525 508 L HA -0.088 4.256 4.340 0.007 0.000 0.278 508 L C 1.489 178.155 176.870 -0.341 0.000 1.218 508 L CA 1.040 55.850 54.840 -0.050 0.000 0.878 508 L CB 0.360 42.464 42.059 0.076 0.000 1.127 508 L HN 0.234 nan 8.230 nan 0.000 0.492 509 E N 0.853 120.776 120.200 -0.460 0.000 2.756 509 E HA 0.058 4.412 4.350 0.007 0.000 0.192 509 E C 0.148 176.363 176.600 -0.643 0.000 1.022 509 E CA -0.350 55.740 56.400 -0.516 0.000 1.224 509 E CB 0.403 30.013 29.700 -0.151 0.000 1.252 509 E HN 0.552 nan 8.360 nan 0.000 0.494 510 Q N 0.434 120.055 119.800 -0.299 0.000 2.177 510 Q HA 0.546 4.890 4.340 0.007 0.000 0.183 510 Q C -0.394 175.493 176.000 -0.187 0.000 1.040 510 Q CA -0.226 55.511 55.803 -0.110 0.000 1.089 510 Q CB 1.100 29.951 28.738 0.187 0.000 1.130 510 Q HN 0.144 nan 8.270 nan 0.000 0.575 511 L N -0.434 120.725 121.223 -0.106 0.000 2.666 511 L HA 0.202 4.546 4.340 0.007 0.000 0.259 511 L C -1.024 175.665 176.870 -0.302 0.000 0.919 511 L CA -0.322 54.354 54.840 -0.273 0.000 0.927 511 L CB 2.117 44.217 42.059 0.069 0.000 1.423 511 L HN 0.629 nan 8.230 nan 0.000 0.426 512 S N 5.217 120.543 115.700 -0.624 0.000 2.505 512 S HA 0.359 4.833 4.470 0.007 0.000 0.276 512 S C -1.394 173.065 174.600 -0.235 0.000 1.274 512 S CA -0.952 57.075 58.200 -0.288 0.000 1.053 512 S CB 0.986 63.995 63.200 -0.318 0.000 0.919 512 S HN 0.595 nan 8.310 nan 0.000 0.490 513 P HA -0.018 nan 4.420 nan 0.000 0.226 513 P C 0.745 177.915 177.300 -0.217 0.000 1.153 513 P CA 0.944 63.998 63.100 -0.076 0.000 0.777 513 P CB -0.184 31.642 31.700 0.210 0.000 0.794 514 T N -1.364 113.096 114.554 -0.157 0.000 3.081 514 T HA 0.323 4.677 4.350 0.007 0.000 0.250 514 T C 1.804 176.384 174.700 -0.201 0.000 1.100 514 T CA 0.452 62.458 62.100 -0.158 0.000 1.038 514 T CB -0.180 68.651 68.868 -0.062 0.000 0.962 514 T HN 0.038 nan 8.240 nan 0.000 0.516 515 A N 2.540 125.161 122.820 -0.331 0.000 1.953 515 A HA -0.144 4.180 4.320 0.007 0.000 0.212 515 A C 1.675 179.151 177.584 -0.181 0.000 1.250 515 A CA 1.710 53.525 52.037 -0.369 0.000 0.726 515 A CB -1.361 17.131 19.000 -0.846 0.000 0.837 515 A HN 0.564 nan 8.150 nan 0.000 0.481 516 F N 0.483 120.382 119.950 -0.085 0.000 2.583 516 F HA -0.108 4.423 4.527 0.006 0.000 0.297 516 F C 1.861 177.593 175.800 -0.113 0.000 1.131 516 F CA 0.706 58.630 58.000 -0.127 0.000 1.467 516 F CB -0.820 38.052 39.000 -0.214 0.000 1.097 516 F HN 0.347 nan 8.300 nan 0.000 0.586 517 N N 0.281 118.973 118.700 -0.014 0.000 2.493 517 N HA -0.183 4.561 4.740 0.007 0.000 0.191 517 N C 1.414 176.918 175.510 -0.009 0.000 1.041 517 N CA 1.152 54.173 53.050 -0.049 0.000 0.904 517 N CB -0.167 38.257 38.487 -0.104 0.000 0.948 517 N HN 0.322 nan 8.380 nan 0.000 0.446 518 S N -0.569 115.146 115.700 0.026 0.000 2.540 518 S HA 0.184 4.658 4.470 0.007 0.000 0.222 518 S C 0.561 175.174 174.600 0.022 0.000 1.008 518 S CA -0.410 57.804 58.200 0.024 0.000 0.939 518 S CB 0.171 63.391 63.200 0.034 0.000 0.865 518 S HN 0.106 nan 8.310 nan 0.000 0.499 519 L N 3.826 125.065 121.223 0.026 0.000 2.391 519 L HA 0.279 4.623 4.340 0.007 0.000 0.249 519 L C 1.606 178.463 176.870 -0.022 0.000 1.308 519 L CA -0.381 54.454 54.840 -0.009 0.000 1.209 519 L CB -0.483 41.551 42.059 -0.041 0.000 1.401 519 L HN 0.364 nan 8.230 nan 0.000 0.416 520 S N -1.291 114.402 115.700 -0.013 0.000 2.368 520 S HA -0.148 4.325 4.470 0.007 0.000 0.224 520 S C 1.808 176.396 174.600 -0.021 0.000 1.029 520 S CA 1.120 59.314 58.200 -0.011 0.000 0.988 520 S CB -0.097 63.102 63.200 -0.003 0.000 0.838 520 S HN 0.527 nan 8.310 nan 0.000 0.462 521 S N 1.347 117.031 115.700 -0.027 0.000 2.561 521 S HA 0.283 4.757 4.470 0.007 0.000 0.225 521 S C 0.444 175.013 174.600 -0.052 0.000 0.977 521 S CA -0.294 57.888 58.200 -0.031 0.000 0.926 521 S CB -0.552 62.634 63.200 -0.024 0.000 0.769 521 S HN 0.445 nan 8.310 nan 0.000 0.533 522 L N 2.544 123.720 121.223 -0.078 0.000 2.601 522 L HA -0.043 4.301 4.340 0.007 0.000 0.277 522 L C 0.956 177.750 176.870 -0.127 0.000 1.219 522 L CA 0.951 55.714 54.840 -0.128 0.000 0.915 522 L CB 0.399 42.346 42.059 -0.187 0.000 1.160 522 L HN 0.172 nan 8.230 nan 0.000 0.494 523 Q N 3.062 122.779 119.800 -0.138 0.000 2.499 523 Q HA 0.232 4.576 4.340 0.007 0.000 0.213 523 Q C -0.257 175.619 176.000 -0.207 0.000 0.929 523 Q CA 0.140 55.866 55.803 -0.128 0.000 0.904 523 Q CB 0.394 29.090 28.738 -0.070 0.000 1.052 523 Q HN 0.547 nan 8.270 nan 0.000 0.589 524 V N 1.390 121.114 119.914 -0.316 0.000 2.850 524 V HA 0.442 4.566 4.120 0.007 0.000 0.315 524 V C -0.796 174.938 176.094 -0.600 0.000 1.064 524 V CA -0.810 61.197 62.300 -0.489 0.000 0.979 524 V CB 2.005 33.382 31.823 -0.744 0.000 1.039 524 V HN 0.211 nan 8.190 nan 0.000 0.452 525 L N 3.105 123.987 121.223 -0.567 0.000 2.727 525 L HA 0.458 4.802 4.340 0.007 0.000 0.255 525 L C -0.923 175.672 176.870 -0.457 0.000 0.983 525 L CA -0.182 54.329 54.840 -0.549 0.000 0.945 525 L CB 1.155 42.896 42.059 -0.530 0.000 1.242 525 L HN 0.679 nan 8.230 nan 0.000 0.449 526 N N 5.399 123.840 118.700 -0.433 0.000 2.488 526 N HA 0.450 5.194 4.740 0.007 0.000 0.274 526 N C -0.113 175.219 175.510 -0.296 0.000 1.111 526 N CA 0.001 52.868 53.050 -0.305 0.000 0.974 526 N CB 1.004 39.371 38.487 -0.200 0.000 1.089 526 N HN 0.674 nan 8.380 nan 0.000 0.465 527 M N 0.943 120.333 119.600 -0.351 0.000 2.821 527 M HA 0.053 4.537 4.480 0.007 0.000 0.432 527 M C 0.522 176.615 176.300 -0.345 0.000 1.291 527 M CA -0.330 54.713 55.300 -0.428 0.000 0.838 527 M CB -0.801 31.266 32.600 -0.888 0.000 1.505 527 M HN 0.402 nan 8.290 nan 0.000 0.523 528 S N 0.184 115.770 115.700 -0.189 0.000 2.611 528 S HA 0.015 4.489 4.470 0.007 0.000 0.252 528 S C 0.788 175.417 174.600 0.047 0.000 1.369 528 S CA 0.659 58.815 58.200 -0.073 0.000 0.975 528 S CB 0.049 63.237 63.200 -0.020 0.000 0.937 528 S HN 0.690 nan 8.310 nan 0.000 0.584 529 H N 0.607 119.651 119.070 -0.044 0.000 2.112 529 H HA -0.194 4.367 4.556 0.008 0.000 0.334 529 H C 0.335 175.678 175.328 0.025 0.000 0.932 529 H CA 0.457 56.494 56.048 -0.019 0.000 1.100 529 H CB -1.066 28.701 29.762 0.008 0.000 1.557 529 H HN 0.356 nan 8.280 nan 0.000 0.358 530 N N 0.007 118.837 118.700 0.216 0.000 2.752 530 N HA 0.186 4.930 4.740 0.007 0.000 0.316 530 N C 0.210 175.891 175.510 0.284 0.000 1.343 530 N CA -0.452 52.753 53.050 0.258 0.000 0.875 530 N CB 0.580 39.293 38.487 0.377 0.000 1.120 530 N HN 0.339 nan 8.380 nan 0.000 0.562 531 N N 0.143 119.033 118.700 0.317 0.000 2.599 531 N HA 0.230 4.974 4.740 0.007 0.000 0.309 531 N C -1.247 174.429 175.510 0.277 0.000 1.743 531 N CA -0.142 53.095 53.050 0.310 0.000 0.918 531 N CB 0.129 38.774 38.487 0.263 0.000 1.339 531 N HN 0.247 nan 8.380 nan 0.000 0.493 532 F N -0.524 119.531 119.950 0.174 0.000 2.384 532 F HA 0.302 4.833 4.527 0.007 0.000 0.338 532 F C 1.287 177.171 175.800 0.140 0.000 1.103 532 F CA -0.355 57.771 58.000 0.211 0.000 1.157 532 F CB 0.777 39.923 39.000 0.244 0.000 1.167 532 F HN 0.020 nan 8.300 nan 0.000 0.529 533 F N -0.146 119.944 119.950 0.234 0.000 2.740 533 F HA 0.117 4.647 4.527 0.005 0.000 0.304 533 F C 0.683 176.524 175.800 0.068 0.000 1.098 533 F CA 0.069 58.149 58.000 0.134 0.000 1.258 533 F CB 0.458 39.497 39.000 0.066 0.000 1.061 533 F HN 0.312 nan 8.300 nan 0.000 0.598 534 S N 1.271 117.125 115.700 0.257 0.000 2.664 534 S HA 0.443 4.917 4.470 0.007 0.000 0.262 534 S C -0.831 173.801 174.600 0.053 0.000 1.229 534 S CA -0.719 57.520 58.200 0.065 0.000 1.151 534 S CB 0.782 64.001 63.200 0.031 0.000 1.054 534 S HN 0.101 nan 8.310 nan 0.000 0.483 535 L N 2.653 123.831 121.223 -0.074 0.000 2.525 535 L HA 0.475 4.819 4.340 0.007 0.000 0.278 535 L C 0.003 176.787 176.870 -0.143 0.000 1.218 535 L CA 1.147 55.905 54.840 -0.137 0.000 0.878 535 L CB 0.085 42.062 42.059 -0.138 0.000 1.127 535 L HN 0.839 nan 8.230 nan 0.000 0.492 536 D N 0.955 121.349 120.400 -0.009 0.000 2.666 536 D HA 0.662 5.306 4.640 0.007 0.000 0.252 536 D C 0.237 176.601 176.300 0.107 0.000 1.143 536 D CA 0.516 54.540 54.000 0.039 0.000 1.096 536 D CB 1.831 42.732 40.800 0.169 0.000 1.260 536 D HN 0.694 nan 8.370 nan 0.000 0.633 537 T N -2.975 111.682 114.554 0.171 0.000 3.259 537 T HA 0.032 4.386 4.350 0.007 0.000 0.287 537 T C 1.075 176.009 174.700 0.390 0.000 0.874 537 T CA -0.412 61.837 62.100 0.249 0.000 0.878 537 T CB -0.562 68.163 68.868 -0.238 0.000 1.223 537 T HN 0.253 nan 8.240 nan 0.000 0.630 538 F N 4.741 124.766 119.950 0.125 0.000 2.128 538 F HA 0.227 4.758 4.527 0.006 0.000 0.295 538 F C -0.896 174.890 175.800 -0.024 0.000 1.100 538 F CA 0.716 58.728 58.000 0.020 0.000 1.260 538 F CB -0.881 38.103 39.000 -0.027 0.000 1.009 538 F HN 0.032 nan 8.300 nan 0.000 0.476 539 P HA -0.249 nan 4.420 nan 0.000 0.216 539 P C 1.085 178.146 177.300 -0.398 0.000 1.150 539 P CA 1.912 64.687 63.100 -0.541 0.000 0.843 539 P CB -0.639 30.723 31.700 -0.565 0.000 0.787 540 Y N 1.262 121.620 120.300 0.098 0.000 2.578 540 Y HA -0.014 4.539 4.550 0.006 0.000 0.297 540 Y C 2.502 178.450 175.900 0.080 0.000 1.176 540 Y CA 0.310 58.498 58.100 0.145 0.000 1.315 540 Y CB -1.066 37.547 38.460 0.256 0.000 1.031 540 Y HN 0.100 nan 8.280 nan 0.000 0.524 541 K N -0.630 119.794 120.400 0.041 0.000 2.089 541 K HA -0.199 4.125 4.320 0.007 0.000 0.210 541 K C 1.160 177.775 176.600 0.025 0.000 1.048 541 K CA 2.072 58.347 56.287 -0.020 0.000 0.926 541 K CB -0.967 31.302 32.500 -0.384 0.000 0.714 541 K HN 0.296 nan 8.250 nan 0.000 0.448 542 C N 1.450 120.731 119.300 -0.031 0.000 2.614 542 C HA 0.352 4.816 4.460 0.007 0.000 0.299 542 C C 0.684 175.688 174.990 0.024 0.000 1.293 542 C CA -0.746 58.270 59.018 -0.003 0.000 1.713 542 C CB -1.079 26.637 27.740 -0.041 0.000 1.890 542 C HN 0.370 nan 8.230 nan 0.000 0.602 543 L N 2.516 123.771 121.223 0.055 0.000 2.437 543 L HA 0.098 4.442 4.340 0.007 0.000 0.243 543 L C 0.965 177.850 176.870 0.025 0.000 1.346 543 L CA -0.192 54.669 54.840 0.035 0.000 1.233 543 L CB -0.751 41.339 42.059 0.051 0.000 1.436 543 L HN 0.396 nan 8.230 nan 0.000 0.416 544 N N 0.399 119.112 118.700 0.022 0.000 2.100 544 N HA -0.268 4.476 4.740 0.007 0.000 0.199 544 N C 1.669 177.184 175.510 0.008 0.000 1.017 544 N CA 2.230 55.292 53.050 0.021 0.000 0.890 544 N CB -0.279 38.217 38.487 0.014 0.000 1.080 544 N HN 0.339 nan 8.380 nan 0.000 0.525 545 S N -0.201 115.493 115.700 -0.008 0.000 2.561 545 S HA 0.075 4.548 4.470 0.007 0.000 0.225 545 S C 0.402 174.980 174.600 -0.036 0.000 0.977 545 S CA -0.371 57.818 58.200 -0.018 0.000 0.926 545 S CB -0.284 62.902 63.200 -0.023 0.000 0.769 545 S HN 0.261 nan 8.310 nan 0.000 0.533 546 L N 2.842 124.036 121.223 -0.048 0.000 2.700 546 L HA -0.094 4.250 4.340 0.007 0.000 0.276 546 L C 0.923 177.747 176.870 -0.077 0.000 1.200 546 L CA 0.933 55.722 54.840 -0.085 0.000 0.951 546 L CB 0.160 42.168 42.059 -0.086 0.000 1.226 546 L HN 0.188 nan 8.230 nan 0.000 0.489 547 Q N 3.152 122.903 119.800 -0.082 0.000 2.462 547 Q HA 0.245 4.589 4.340 0.007 0.000 0.224 547 Q C -0.312 175.671 176.000 -0.029 0.000 0.911 547 Q CA 0.181 55.965 55.803 -0.032 0.000 0.925 547 Q CB 0.652 29.389 28.738 -0.002 0.000 1.063 547 Q HN 0.557 nan 8.270 nan 0.000 0.572 548 V N 1.106 120.955 119.914 -0.108 0.000 2.815 548 V HA 0.478 4.602 4.120 0.007 0.000 0.314 548 V C -0.885 175.080 176.094 -0.214 0.000 1.064 548 V CA -0.806 61.418 62.300 -0.127 0.000 0.952 548 V CB 2.271 33.984 31.823 -0.183 0.000 1.020 548 V HN 0.147 nan 8.190 nan 0.000 0.439 549 L N 2.591 123.695 121.223 -0.197 0.000 2.487 549 L HA 0.441 4.785 4.340 0.007 0.000 0.261 549 L C -0.797 175.988 176.870 -0.141 0.000 1.223 549 L CA 0.007 54.705 54.840 -0.237 0.000 0.883 549 L CB 1.035 42.888 42.059 -0.344 0.000 1.065 549 L HN 0.739 nan 8.230 nan 0.000 0.488 550 D N 1.615 121.918 120.400 -0.161 0.000 2.382 550 D HA 0.098 4.742 4.640 0.007 0.000 0.245 550 D C -0.412 175.818 176.300 -0.116 0.000 1.120 550 D CA 0.720 54.658 54.000 -0.102 0.000 0.890 550 D CB 0.917 41.643 40.800 -0.124 0.000 1.201 550 D HN 0.519 nan 8.370 nan 0.000 0.433 551 Y N 0.666 120.899 120.300 -0.112 0.000 2.890 551 Y HA 0.034 4.589 4.550 0.007 0.000 0.266 551 Y C 0.870 176.716 175.900 -0.089 0.000 1.090 551 Y CA -0.232 57.796 58.100 -0.120 0.000 1.258 551 Y CB 0.230 38.626 38.460 -0.108 0.000 1.346 551 Y HN 0.372 nan 8.280 nan 0.000 0.578 552 S N -0.318 115.404 115.700 0.037 0.000 2.641 552 S HA 0.014 4.488 4.470 0.007 0.000 0.251 552 S C 1.028 175.589 174.600 -0.065 0.000 1.332 552 S CA -0.040 58.159 58.200 -0.001 0.000 0.968 552 S CB 0.337 63.533 63.200 -0.008 0.000 0.987 552 S HN 0.418 nan 8.310 nan 0.000 0.587 553 L N 0.026 121.175 121.223 -0.123 0.000 4.044 553 L HA -0.287 4.057 4.340 0.007 0.000 0.452 553 L C 0.773 177.455 176.870 -0.313 0.000 1.107 553 L CA 0.505 55.192 54.840 -0.255 0.000 0.957 553 L CB -2.026 39.819 42.059 -0.357 0.000 1.850 553 L HN 0.691 nan 8.230 nan 0.000 1.040 554 N N -1.004 117.545 118.700 -0.252 0.000 2.669 554 N HA 0.297 5.041 4.740 0.007 0.000 0.306 554 N C 0.388 175.543 175.510 -0.591 0.000 1.352 554 N CA -0.788 52.097 53.050 -0.274 0.000 0.886 554 N CB 0.339 38.817 38.487 -0.014 0.000 1.107 554 N HN 0.182 nan 8.380 nan 0.000 0.534 555 H N 0.142 119.054 119.070 -0.262 0.000 2.637 555 H HA 0.345 4.905 4.556 0.006 0.000 0.245 555 H C -0.399 174.559 175.328 -0.617 0.000 1.190 555 H CA -0.143 55.561 56.048 -0.574 0.000 0.934 555 H CB 0.312 29.464 29.762 -1.016 0.000 1.950 555 H HN 0.327 nan 8.280 nan 0.000 0.614 556 I N 1.714 122.132 120.570 -0.253 0.000 2.779 556 I HA 0.007 4.181 4.170 0.007 0.000 0.285 556 I C 1.539 177.548 176.117 -0.180 0.000 1.134 556 I CA 0.440 61.655 61.300 -0.141 0.000 1.398 556 I CB 0.834 38.797 38.000 -0.061 0.000 1.404 556 I HN 0.290 nan 8.210 nan 0.000 0.587 557 M N 0.056 119.635 119.600 -0.035 0.000 1.591 557 M HA 0.096 4.580 4.480 0.007 0.000 0.298 557 M C 0.077 176.347 176.300 -0.050 0.000 0.849 557 M CA -0.203 55.129 55.300 0.053 0.000 1.057 557 M CB 0.130 32.754 32.600 0.040 0.000 2.104 557 M HN 0.429 nan 8.290 nan 0.000 0.794 558 T N 1.338 115.748 114.554 -0.240 0.000 2.994 558 T HA 0.565 4.919 4.350 0.007 0.000 0.322 558 T C 0.146 174.355 174.700 -0.818 0.000 1.199 558 T CA 0.177 61.992 62.100 -0.476 0.000 0.945 558 T CB 1.124 69.861 68.868 -0.219 0.000 1.754 558 T HN 0.356 nan 8.240 nan 0.000 0.571 559 S N -0.433 114.915 115.700 -0.588 0.000 2.508 559 S HA 0.127 4.601 4.470 0.007 0.000 0.182 559 S C -0.196 174.233 174.600 -0.285 0.000 0.683 559 S CA -0.662 57.158 58.200 -0.634 0.000 0.912 559 S CB -0.367 62.195 63.200 -1.062 0.000 1.441 559 S HN 0.568 nan 8.310 nan 0.000 0.414 560 K N 2.205 122.502 120.400 -0.171 0.000 2.665 560 K HA 0.118 4.442 4.320 0.007 0.000 0.196 560 K C -0.003 176.546 176.600 -0.085 0.000 1.021 560 K CA 0.370 56.604 56.287 -0.088 0.000 1.066 560 K CB 0.016 32.490 32.500 -0.043 0.000 0.849 560 K HN 0.156 nan 8.250 nan 0.000 0.500 561 K N 0.763 121.090 120.400 -0.122 0.000 2.589 561 K HA 0.058 4.381 4.320 0.007 0.000 0.298 561 K C -1.083 175.427 176.600 -0.151 0.000 1.136 561 K CA -0.236 55.985 56.287 -0.111 0.000 1.020 561 K CB 1.431 33.876 32.500 -0.091 0.000 1.345 561 K HN -0.173 nan 8.250 nan 0.000 0.478 562 Q N 1.236 120.960 119.800 -0.127 0.000 2.294 562 Q HA -0.021 4.323 4.340 0.007 0.000 0.222 562 Q C 0.330 176.233 176.000 -0.162 0.000 0.903 562 Q CA 0.355 56.069 55.803 -0.148 0.000 0.966 562 Q CB -0.045 28.647 28.738 -0.077 0.000 1.091 562 Q HN 0.288 nan 8.270 nan 0.000 0.438 563 E N -0.332 119.771 120.200 -0.162 0.000 2.336 563 E HA 0.075 4.429 4.350 0.007 0.000 0.214 563 E C -0.050 176.434 176.600 -0.193 0.000 1.144 563 E CA -0.015 56.319 56.400 -0.109 0.000 1.294 563 E CB -0.432 29.270 29.700 0.002 0.000 1.263 563 E HN 0.417 nan 8.360 nan 0.000 0.439 564 L N 0.814 121.796 121.223 -0.403 0.000 2.784 564 L HA -0.114 4.230 4.340 0.007 0.000 0.247 564 L C 1.830 178.467 176.870 -0.389 0.000 1.162 564 L CA 0.770 55.152 54.840 -0.764 0.000 0.881 564 L CB -0.537 40.559 42.059 -1.605 0.000 1.032 564 L HN 0.351 nan 8.230 nan 0.000 0.446 565 Q N -2.419 117.270 119.800 -0.185 0.000 2.391 565 Q HA -0.031 4.313 4.340 0.007 0.000 0.211 565 Q C 1.131 177.110 176.000 -0.035 0.000 0.908 565 Q CA 0.433 56.201 55.803 -0.059 0.000 0.920 565 Q CB -0.024 28.653 28.738 -0.101 0.000 1.056 565 Q HN 0.339 nan 8.270 nan 0.000 0.523 566 H N 0.848 119.925 119.070 0.012 0.000 4.288 566 H HA 0.136 4.696 4.556 0.007 0.000 0.184 566 H C -1.166 174.326 175.328 0.274 0.000 1.451 566 H CA 0.153 56.277 56.048 0.127 0.000 1.364 566 H CB -0.958 28.904 29.762 0.166 0.000 1.615 566 H HN 0.273 nan 8.280 nan 0.000 0.800 567 F N 1.769 121.864 119.950 0.242 0.000 2.402 567 F HA 0.234 4.765 4.527 0.006 0.000 0.355 567 F C -1.666 174.216 175.800 0.137 0.000 1.123 567 F CA -2.355 55.755 58.000 0.184 0.000 1.021 567 F CB 1.590 40.692 39.000 0.169 0.000 1.160 567 F HN 0.121 nan 8.300 nan 0.000 0.451 568 P HA -0.145 nan 4.420 nan 0.000 0.267 568 P C 0.307 177.677 177.300 0.117 0.000 1.158 568 P CA 0.607 63.803 63.100 0.160 0.000 0.756 568 P CB 0.594 32.349 31.700 0.091 0.000 0.766 569 S N 0.724 116.480 115.700 0.093 0.000 2.442 569 S HA -0.125 4.349 4.470 0.007 0.000 0.236 569 S C 1.656 176.278 174.600 0.036 0.000 1.007 569 S CA 1.504 59.743 58.200 0.065 0.000 0.965 569 S CB -0.440 62.793 63.200 0.056 0.000 0.773 569 S HN 0.699 nan 8.310 nan 0.000 0.504 570 S N 0.757 116.472 115.700 0.026 0.000 2.503 570 S HA 0.200 4.674 4.470 0.007 0.000 0.217 570 S C 0.591 175.187 174.600 -0.007 0.000 0.999 570 S CA -0.409 57.796 58.200 0.008 0.000 0.914 570 S CB -0.526 62.678 63.200 0.006 0.000 0.782 570 S HN 0.304 nan 8.310 nan 0.000 0.520 571 L N 2.746 123.958 121.223 -0.019 0.000 2.780 571 L HA 0.271 4.614 4.340 0.007 0.000 0.275 571 L C 0.983 177.814 176.870 -0.065 0.000 1.153 571 L CA 0.077 54.877 54.840 -0.065 0.000 0.993 571 L CB -0.493 41.490 42.059 -0.127 0.000 1.319 571 L HN 0.284 nan 8.230 nan 0.000 0.479 572 A N 5.143 127.943 122.820 -0.034 0.000 1.896 572 A HA 0.242 4.566 4.320 0.007 0.000 0.213 572 A C 0.568 178.020 177.584 -0.218 0.000 1.306 572 A CA 0.321 52.294 52.037 -0.107 0.000 0.626 572 A CB -0.450 18.546 19.000 -0.007 0.000 0.994 572 A HN 0.563 nan 8.150 nan 0.000 0.475 573 F N -1.208 118.675 119.950 -0.112 0.000 2.371 573 F HA 0.610 5.141 4.527 0.007 0.000 0.329 573 F C -0.022 175.682 175.800 -0.158 0.000 1.107 573 F CA -0.557 57.374 58.000 -0.116 0.000 1.137 573 F CB 1.280 40.221 39.000 -0.098 0.000 1.214 573 F HN 0.118 nan 8.300 nan 0.000 0.536 574 L N 3.184 124.427 121.223 0.033 0.000 2.409 574 L HA 0.257 4.601 4.340 0.007 0.000 0.262 574 L C -0.671 176.199 176.870 -0.001 0.000 1.346 574 L CA -0.230 54.576 54.840 -0.058 0.000 0.848 574 L CB 0.003 41.972 42.059 -0.149 0.000 1.006 574 L HN 0.550 nan 8.230 nan 0.000 0.505 575 N N 2.836 121.553 118.700 0.029 0.000 2.454 575 N HA 0.213 4.957 4.740 0.007 0.000 0.254 575 N C 0.103 175.657 175.510 0.073 0.000 1.228 575 N CA 0.600 53.677 53.050 0.045 0.000 0.900 575 N CB 1.021 39.524 38.487 0.027 0.000 1.089 575 N HN 0.731 nan 8.380 nan 0.000 0.449 576 L N 1.056 122.335 121.223 0.093 0.000 3.759 576 L HA 0.030 4.374 4.340 0.007 0.000 0.355 576 L C 0.375 177.351 176.870 0.178 0.000 1.271 576 L CA -0.222 54.706 54.840 0.147 0.000 1.142 576 L CB 0.191 42.357 42.059 0.178 0.000 1.474 576 L HN 0.564 nan 8.230 nan 0.000 0.624 577 T N -1.458 113.167 114.554 0.119 0.000 2.906 577 T HA 0.114 4.468 4.350 0.007 0.000 0.320 577 T C 0.334 175.092 174.700 0.096 0.000 1.088 577 T CA 0.168 62.338 62.100 0.116 0.000 1.120 577 T CB 1.220 70.123 68.868 0.059 0.000 1.000 577 T HN 0.339 nan 8.240 nan 0.000 0.550 578 Q N 1.631 121.507 119.800 0.127 0.000 2.630 578 Q HA -0.198 4.146 4.340 0.007 0.000 0.210 578 Q C -0.904 175.077 176.000 -0.031 0.000 1.400 578 Q CA 0.630 56.472 55.803 0.066 0.000 0.668 578 Q CB -0.874 27.859 28.738 -0.008 0.000 0.781 578 Q HN 0.936 nan 8.270 nan 0.000 0.311 579 N N 1.886 120.554 118.700 -0.054 0.000 3.526 579 N HA 0.330 5.074 4.740 0.007 0.000 0.328 579 N C -1.508 173.862 175.510 -0.234 0.000 1.601 579 N CA -0.583 52.259 53.050 -0.347 0.000 0.834 579 N CB 1.164 39.124 38.487 -0.879 0.000 1.983 579 N HN 0.429 nan 8.380 nan 0.000 0.579 580 D N 1.105 121.311 120.400 -0.323 0.000 2.886 580 D HA 0.279 4.923 4.640 0.007 0.000 0.355 580 D C -0.414 175.865 176.300 -0.036 0.000 1.274 580 D CA -0.120 53.839 54.000 -0.068 0.000 0.836 580 D CB 0.062 40.865 40.800 0.005 0.000 1.109 580 D HN 0.222 nan 8.370 nan 0.000 0.488 581 F N 1.482 121.477 119.950 0.075 0.000 2.633 581 F HA 0.172 4.703 4.527 0.007 0.000 0.338 581 F C 1.433 177.299 175.800 0.110 0.000 1.206 581 F CA -0.435 57.625 58.000 0.099 0.000 1.378 581 F CB 0.458 39.504 39.000 0.076 0.000 1.116 581 F HN 0.056 nan 8.300 nan 0.000 0.615 582 A N 0.984 124.008 122.820 0.341 0.000 2.394 582 A HA 0.452 4.776 4.320 0.007 0.000 0.333 582 A C -0.785 176.965 177.584 0.277 0.000 1.397 582 A CA -0.538 51.674 52.037 0.292 0.000 0.884 582 A CB -0.283 18.928 19.000 0.352 0.000 1.147 582 A HN 0.883 nan 8.150 nan 0.000 0.505 583 c N 3.047 121.767 118.600 0.201 0.000 2.687 583 c HA 0.484 5.058 4.570 0.007 0.000 0.490 583 c C 1.091 175.249 174.090 0.113 0.000 1.265 583 c CA 0.022 56.433 56.329 0.135 0.000 1.569 583 c CB -2.150 40.410 42.510 0.083 0.000 2.080 583 c HN 0.828 nan 8.230 nan 0.000 0.618 584 T N -3.653 110.982 114.554 0.135 0.000 2.900 584 T HA 0.199 4.553 4.350 0.007 0.000 0.295 584 T C 0.804 175.552 174.700 0.080 0.000 1.044 584 T CA -0.538 61.617 62.100 0.092 0.000 0.995 584 T CB 1.109 70.030 68.868 0.088 0.000 1.072 584 T HN 0.267 nan 8.240 nan 0.000 0.473 585 c N 1.277 119.904 118.600 0.045 0.000 2.393 585 c HA -0.098 4.476 4.570 0.007 0.000 0.292 585 c C 2.392 176.484 174.090 0.004 0.000 1.347 585 c CA 1.674 58.022 56.329 0.032 0.000 1.810 585 c CB -1.724 40.796 42.510 0.017 0.000 1.899 585 c HN 1.111 nan 8.230 nan 0.000 0.532 586 E N -0.828 119.347 120.200 -0.042 0.000 2.187 586 E HA -0.228 4.126 4.350 0.007 0.000 0.199 586 E C 0.414 176.808 176.600 -0.343 0.000 1.004 586 E CA 1.206 57.486 56.400 -0.200 0.000 0.813 586 E CB -0.146 29.400 29.700 -0.257 0.000 0.736 586 E HN 0.770 nan 8.360 nan 0.000 0.468 587 H N -0.240 118.896 119.070 0.110 0.000 2.500 587 H HA 0.100 4.660 4.556 0.007 0.000 0.243 587 H C 0.626 176.048 175.328 0.156 0.000 1.318 587 H CA -0.130 56.012 56.048 0.156 0.000 1.077 587 H CB 0.666 30.561 29.762 0.223 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 0.165 0.000 2.172 588 Q HA -0.111 4.233 4.340 0.007 0.000 0.200 588 Q C 1.931 178.018 176.000 0.145 0.000 0.964 588 Q CA 1.194 57.072 55.803 0.125 0.000 0.855 588 Q CB 0.443 29.224 28.738 0.071 0.000 0.918 588 Q HN 0.252 nan 8.270 nan 0.000 0.444 589 S N -0.526 115.276 115.700 0.170 0.000 2.368 589 S HA -0.145 4.329 4.470 0.007 0.000 0.225 589 S C 1.469 176.227 174.600 0.264 0.000 1.030 589 S CA 1.175 59.481 58.200 0.176 0.000 0.999 589 S CB -0.313 62.975 63.200 0.146 0.000 0.844 589 S HN 0.572 nan 8.310 nan 0.000 0.459 590 F N 1.320 121.361 119.950 0.153 0.000 2.262 590 F HA 0.352 4.883 4.527 0.006 0.000 0.292 590 F C 1.728 177.675 175.800 0.244 0.000 1.081 590 F CA 0.512 58.620 58.000 0.180 0.000 1.355 590 F CB -0.560 38.517 39.000 0.128 0.000 1.069 590 F HN 0.206 nan 8.300 nan 0.000 0.506 591 L N 0.318 121.587 121.223 0.076 0.000 2.265 591 L HA -0.191 4.153 4.340 0.007 0.000 0.215 591 L C 2.258 179.084 176.870 -0.073 0.000 1.117 591 L CA 1.328 56.130 54.840 -0.062 0.000 0.782 591 L CB -0.366 41.725 42.059 0.053 0.000 0.914 591 L HN 0.298 nan 8.230 nan 0.000 0.441 592 Q N -0.824 118.986 119.800 0.018 0.000 2.062 592 Q HA -0.251 4.093 4.340 0.007 0.000 0.196 592 Q C 1.843 177.854 176.000 0.018 0.000 0.967 592 Q CA 1.877 57.690 55.803 0.018 0.000 0.832 592 Q CB -0.665 28.111 28.738 0.063 0.000 0.899 592 Q HN 0.565 nan 8.270 nan 0.000 0.442 593 W N 0.472 121.704 121.300 -0.113 0.000 2.331 593 W HA -0.187 4.477 4.660 0.006 0.000 0.291 593 W C 1.164 177.591 176.519 -0.155 0.000 1.214 593 W CA 1.324 58.605 57.345 -0.107 0.000 1.228 593 W CB -0.078 29.347 29.460 -0.059 0.000 1.135 593 W HN 0.206 nan 8.180 nan 0.000 0.537 594 I N 0.990 121.372 120.570 -0.312 0.000 2.252 594 I HA -0.267 3.907 4.170 0.007 0.000 0.245 594 I C 2.134 178.020 176.117 -0.385 0.000 1.102 594 I CA 1.708 62.730 61.300 -0.463 0.000 1.385 594 I CB -1.548 36.244 38.000 -0.347 0.000 1.064 594 I HN 0.083 nan 8.210 nan 0.000 0.414 595 K N 0.673 120.916 120.400 -0.261 0.000 2.001 595 K HA -0.154 4.170 4.320 0.007 0.000 0.208 595 K C 1.727 178.202 176.600 -0.208 0.000 1.048 595 K CA 1.346 57.513 56.287 -0.201 0.000 0.932 595 K CB -0.246 32.173 32.500 -0.134 0.000 0.715 595 K HN 0.235 nan 8.250 nan 0.000 0.437 596 D N 1.463 121.742 120.400 -0.202 0.000 2.191 596 D HA -0.191 4.453 4.640 0.007 0.000 0.195 596 D C 0.658 176.827 176.300 -0.218 0.000 1.003 596 D CA 1.421 55.318 54.000 -0.173 0.000 0.867 596 D CB -0.025 40.704 40.800 -0.118 0.000 0.926 596 D HN 0.520 nan 8.370 nan 0.000 0.450 597 Q N -0.071 119.522 119.800 -0.345 0.000 3.075 597 Q HA 0.284 4.628 4.340 0.007 0.000 0.318 597 Q C 0.136 175.963 176.000 -0.289 0.000 0.907 597 Q CA -0.428 55.196 55.803 -0.300 0.000 0.882 597 Q CB 0.315 28.853 28.738 -0.333 0.000 1.386 597 Q HN 0.149 nan 8.270 nan 0.000 0.408 598 R N -0.309 120.056 120.500 -0.225 0.000 2.363 598 R HA 0.115 4.459 4.340 0.007 0.000 0.236 598 R C 0.404 176.603 176.300 -0.167 0.000 0.966 598 R CA -0.194 55.788 56.100 -0.196 0.000 1.100 598 R CB 0.273 30.473 30.300 -0.167 0.000 1.125 598 R HN 0.185 nan 8.270 nan 0.000 0.514 599 Q N 0.506 120.205 119.800 -0.168 0.000 2.220 599 Q HA 0.254 4.598 4.340 0.007 0.000 0.205 599 Q C 1.097 176.982 176.000 -0.191 0.000 0.865 599 Q CA 0.272 55.979 55.803 -0.160 0.000 0.960 599 Q CB 0.761 29.420 28.738 -0.131 0.000 1.097 599 Q HN 0.473 nan 8.270 nan 0.000 0.493 600 L N -1.454 119.652 121.223 -0.194 0.000 2.730 600 L HA 0.208 4.552 4.340 0.007 0.000 0.236 600 L C 0.902 177.660 176.870 -0.187 0.000 1.061 600 L CA 0.072 54.790 54.840 -0.204 0.000 0.898 600 L CB 0.379 42.348 42.059 -0.149 0.000 1.270 600 L HN 0.080 nan 8.230 nan 0.000 0.500 601 L N -0.083 121.044 121.223 -0.160 0.000 2.332 601 L HA 0.025 4.369 4.340 0.007 0.000 0.219 601 L C 0.618 177.446 176.870 -0.070 0.000 1.199 601 L CA 0.350 55.126 54.840 -0.107 0.000 0.830 601 L CB 0.224 42.213 42.059 -0.118 0.000 1.192 601 L HN -0.034 nan 8.230 nan 0.000 0.571 602 V N -3.374 116.526 119.914 -0.023 0.000 5.071 602 V HA 0.274 4.398 4.120 0.007 0.000 0.300 602 V C -0.563 175.532 176.094 0.001 0.000 1.520 602 V CA -0.992 61.319 62.300 0.019 0.000 0.822 602 V CB 0.757 32.624 31.823 0.075 0.000 1.318 602 V HN 0.648 nan 8.190 nan 0.000 0.446 603 E N 0.893 121.103 120.200 0.017 0.000 2.877 603 E HA 0.035 4.389 4.350 0.007 0.000 0.230 603 E C 0.760 177.355 176.600 -0.009 0.000 1.126 603 E CA 0.324 56.727 56.400 0.005 0.000 0.946 603 E CB 0.354 30.062 29.700 0.014 0.000 0.965 603 E HN 0.487 nan 8.360 nan 0.000 0.529 604 V N 3.368 123.264 119.914 -0.030 0.000 2.951 604 V HA -0.173 3.951 4.120 0.007 0.000 0.255 604 V C 2.046 178.111 176.094 -0.049 0.000 1.088 604 V CA 1.467 63.735 62.300 -0.053 0.000 1.109 604 V CB -0.456 31.322 31.823 -0.075 0.000 0.724 604 V HN 0.671 nan 8.190 nan 0.000 0.471 605 E N 1.178 121.360 120.200 -0.031 0.000 2.526 605 E HA -0.132 4.222 4.350 0.007 0.000 0.198 605 E C 1.331 177.924 176.600 -0.011 0.000 1.091 605 E CA 0.522 56.907 56.400 -0.025 0.000 0.880 605 E CB -0.152 29.538 29.700 -0.017 0.000 0.873 605 E HN 0.542 nan 8.360 nan 0.000 0.527 606 R N -0.053 120.445 120.500 -0.003 0.000 2.600 606 R HA 0.369 4.713 4.340 0.007 0.000 0.392 606 R C 0.797 177.128 176.300 0.052 0.000 1.032 606 R CA -0.107 56.006 56.100 0.022 0.000 1.139 606 R CB 0.412 30.727 30.300 0.025 0.000 1.400 606 R HN 0.085 nan 8.270 nan 0.000 0.566 607 M N 1.065 120.672 119.600 0.011 0.000 2.756 607 M HA 0.161 4.645 4.480 0.007 0.000 0.320 607 M C -0.563 175.676 176.300 -0.101 0.000 1.245 607 M CA 0.109 55.410 55.300 0.003 0.000 0.972 607 M CB 0.481 32.983 32.600 -0.162 0.000 1.327 607 M HN 0.008 nan 8.290 nan 0.000 0.505 608 E N 0.320 120.530 120.200 0.017 0.000 2.492 608 E HA -0.042 4.312 4.350 0.007 0.000 0.266 608 E C -0.036 176.615 176.600 0.085 0.000 1.047 608 E CA -0.018 56.393 56.400 0.018 0.000 0.968 608 E CB 0.758 30.488 29.700 0.050 0.000 0.960 608 E HN 0.393 nan 8.360 nan 0.000 0.452 609 c N 1.114 119.742 118.600 0.046 0.000 2.640 609 c HA 0.367 4.941 4.570 0.007 0.000 0.330 609 c C 1.456 175.650 174.090 0.173 0.000 1.416 609 c CA 0.404 56.806 56.329 0.120 0.000 2.396 609 c CB 0.360 42.907 42.510 0.062 0.000 2.330 609 c HN 0.915 nan 8.230 nan 0.000 0.704 610 A N -0.809 122.120 122.820 0.182 0.000 1.996 610 A HA 0.118 4.442 4.320 0.007 0.000 0.185 610 A C 1.746 179.405 177.584 0.125 0.000 1.803 610 A CA 0.792 52.917 52.037 0.148 0.000 1.335 610 A CB -1.012 18.082 19.000 0.158 0.000 1.486 610 A HN 0.817 nan 8.150 nan 0.000 0.408 611 T N -1.054 113.583 114.554 0.139 0.000 2.770 611 T HA 0.091 4.445 4.350 0.007 0.000 0.263 611 T C -1.521 173.237 174.700 0.095 0.000 1.039 611 T CA 0.575 62.748 62.100 0.123 0.000 1.142 611 T CB -1.772 67.184 68.868 0.147 0.000 0.868 611 T HN 0.258 nan 8.240 nan 0.000 0.435 612 P HA 0.256 nan 4.420 nan 0.000 0.269 612 P C 0.778 178.112 177.300 0.057 0.000 1.263 612 P CA -0.047 63.092 63.100 0.066 0.000 0.813 612 P CB 0.805 32.539 31.700 0.057 0.000 0.868 613 S N 1.073 116.804 115.700 0.052 0.000 2.537 613 S HA -0.134 4.340 4.470 0.007 0.000 0.240 613 S C 0.937 175.559 174.600 0.037 0.000 0.981 613 S CA 1.070 59.297 58.200 0.045 0.000 0.948 613 S CB -0.370 62.855 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 0.135 4.779 4.640 0.007 0.000 0.228 614 D C -0.032 176.284 176.300 0.027 0.000 1.070 614 D CA 0.356 54.373 54.000 0.029 0.000 0.881 614 D CB 0.315 41.130 40.800 0.025 0.000 1.087 614 D HN 0.228 nan 8.370 nan 0.000 0.498 615 K N 1.796 122.215 120.400 0.032 0.000 2.606 615 K HA 0.269 4.593 4.320 0.007 0.000 0.196 615 K C -0.613 176.008 176.600 0.036 0.000 1.048 615 K CA -0.175 56.128 56.287 0.028 0.000 1.017 615 K CB 1.774 34.289 32.500 0.025 0.000 1.413 615 K HN 0.108 nan 8.250 nan 0.000 0.568 616 Q N -0.109 119.712 119.800 0.035 0.000 2.292 616 Q HA 0.484 4.828 4.340 0.007 0.000 0.270 616 Q C 0.049 176.069 176.000 0.033 0.000 1.024 616 Q CA -0.156 55.673 55.803 0.044 0.000 0.768 616 Q CB 1.390 30.161 28.738 0.054 0.000 1.250 616 Q HN 0.668 nan 8.270 nan 0.000 0.447 617 G N 3.360 112.178 108.800 0.029 0.000 2.205 617 G HA2 -0.187 3.777 3.960 0.007 0.000 0.180 617 G HA3 -0.187 3.777 3.960 0.007 0.000 0.180 617 G C -0.245 174.654 174.900 -0.002 0.000 1.004 617 G CA -0.014 45.097 45.100 0.018 0.000 0.670 617 G HN 0.557 nan 8.290 nan 0.000 0.496 618 M N 3.007 122.600 119.600 -0.012 0.000 2.209 618 M HA 0.486 4.970 4.480 0.007 0.000 0.355 618 M C -1.962 174.300 176.300 -0.063 0.000 1.171 618 M CA -2.195 53.087 55.300 -0.030 0.000 1.069 618 M CB 1.291 33.877 32.600 -0.025 0.000 1.622 618 M HN -0.018 nan 8.290 nan 0.000 0.459 619 P HA -0.049 nan 4.420 nan 0.000 0.261 619 P C 0.529 177.735 177.300 -0.157 0.000 1.183 619 P CA 0.042 63.071 63.100 -0.118 0.000 0.761 619 P CB 0.506 32.149 31.700 -0.094 0.000 0.785 620 V N 4.154 123.914 119.914 -0.257 0.000 2.568 620 V HA -0.209 3.915 4.120 0.007 0.000 0.253 620 V C 2.031 177.994 176.094 -0.218 0.000 1.072 620 V CA 1.588 63.711 62.300 -0.296 0.000 1.084 620 V CB -0.777 30.708 31.823 -0.562 0.000 0.676 620 V HN 0.530 nan 8.190 nan 0.000 0.469 621 L N 0.098 121.203 121.223 -0.196 0.000 2.718 621 L HA 0.177 4.521 4.340 0.007 0.000 0.242 621 L C 0.215 177.017 176.870 -0.112 0.000 1.203 621 L CA 0.303 55.050 54.840 -0.155 0.000 1.011 621 L CB -0.340 41.629 42.059 -0.150 0.000 1.250 621 L HN 0.210 nan 8.230 nan 0.000 0.437 622 S N 0.918 116.557 115.700 -0.102 0.000 2.777 622 S HA 0.387 4.861 4.470 0.007 0.000 0.140 622 S C -0.753 173.811 174.600 -0.060 0.000 1.233 622 S CA -0.485 57.671 58.200 -0.072 0.000 1.157 622 S CB 0.847 64.008 63.200 -0.065 0.000 1.600 622 S HN -0.037 nan 8.310 nan 0.000 0.432 623 L N 2.142 123.333 121.223 -0.054 0.000 2.401 623 L HA 0.541 4.885 4.340 0.007 0.000 0.266 623 L C -0.405 176.451 176.870 -0.023 0.000 0.991 623 L CA -0.499 54.319 54.840 -0.036 0.000 0.818 623 L CB 1.773 43.810 42.059 -0.036 0.000 1.321 623 L HN 0.361 nan 8.230 nan 0.000 0.413 624 N N 4.130 122.822 118.700 -0.014 0.000 2.434 624 N HA 0.086 4.830 4.740 0.007 0.000 0.273 624 N C 0.369 175.878 175.510 -0.002 0.000 1.210 624 N CA -0.209 52.837 53.050 -0.008 0.000 0.992 624 N CB 0.840 39.324 38.487 -0.004 0.000 1.355 624 N HN 0.351 nan 8.380 nan 0.000 0.495 625 I N 1.832 122.401 120.570 -0.002 0.000 2.848 625 I HA -0.053 4.121 4.170 0.007 0.000 0.274 625 I C 1.057 177.179 176.117 0.008 0.000 1.049 625 I CA 0.226 61.530 61.300 0.006 0.000 2.038 625 I CB -2.329 35.674 38.000 0.006 0.000 1.403 625 I HN 0.159 nan 8.210 nan 0.000 0.847 626 T N -0.472 114.086 114.554 0.008 0.000 2.727 626 T HA 0.482 4.836 4.350 0.007 0.000 0.298 626 T C 0.122 174.828 174.700 0.010 0.000 0.942 626 T CA -0.538 61.566 62.100 0.007 0.000 0.997 626 T CB 0.825 69.696 68.868 0.006 0.000 0.917 626 T HN 0.308 nan 8.240 nan 0.000 0.487 627 c N 0.000 118.606 118.600 0.009 0.000 2.653 627 c HA 0.000 4.574 4.570 0.007 0.000 0.325 627 c CA 0.000 56.334 56.329 0.009 0.000 1.963 627 c CB 0.000 42.516 42.510 0.010 0.000 2.134 627 c HN 0.000 nan 8.230 nan 0.000 0.568