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 1e6r_1_B DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.710 174.700 0.017 0.000 1.109 3 T CA 0.000 62.116 62.100 0.027 0.000 1.349 3 T CB 0.000 68.887 68.868 0.032 0.000 0.612 4 R N 2.476 122.987 120.500 0.018 0.000 2.640 4 R HA 0.266 4.606 4.340 0.000 0.000 0.270 4 R C -0.164 176.104 176.300 -0.053 0.000 1.024 4 R CA -0.199 55.900 56.100 -0.001 0.000 1.085 4 R CB 0.403 30.713 30.300 0.017 0.000 0.963 4 R HN 0.379 nan 8.270 nan 0.000 0.426 5 K N 2.333 122.634 120.400 -0.166 0.000 2.205 5 K HA 0.225 4.545 4.320 0.000 0.000 0.279 5 K C -0.404 176.041 176.600 -0.257 0.000 1.027 5 K CA -0.275 55.806 56.287 -0.343 0.000 0.932 5 K CB 1.740 33.682 32.500 -0.930 0.000 1.032 5 K HN 0.717 nan 8.250 nan 0.000 0.466 6 A N 2.036 124.717 122.820 -0.232 0.000 2.462 6 A HA 0.300 4.620 4.320 0.000 0.000 0.243 6 A C -0.209 177.294 177.584 -0.135 0.000 1.076 6 A CA -0.354 51.569 52.037 -0.190 0.000 0.773 6 A CB 0.306 19.002 19.000 -0.507 0.000 1.010 6 A HN 0.366 nan 8.150 nan 0.000 0.493 7 V N 4.745 124.660 119.914 0.002 0.000 2.380 7 V HA 0.221 4.341 4.120 0.000 0.000 0.272 7 V C -0.482 175.638 176.094 0.043 0.000 1.011 7 V CA 0.049 62.410 62.300 0.101 0.000 0.826 7 V CB 0.513 32.459 31.823 0.205 0.000 1.040 7 V HN 0.717 nan 8.190 nan 0.000 0.441 8 I N 3.799 124.301 120.570 -0.113 0.000 2.297 8 I HA 0.519 4.689 4.170 0.000 0.000 0.291 8 I C 0.954 176.691 176.117 -0.633 0.000 1.033 8 I CA -0.018 61.111 61.300 -0.284 0.000 1.253 8 I CB 1.364 39.135 38.000 -0.381 0.000 1.396 8 I HN 0.614 nan 8.210 nan 0.000 0.476 9 G N 6.055 114.410 108.800 -0.742 0.000 2.415 9 G HA2 0.428 4.388 3.960 0.000 0.000 0.317 9 G HA3 0.428 4.388 3.960 0.000 0.000 0.317 9 G C -0.872 173.660 174.900 -0.613 0.000 1.152 9 G CA -0.295 44.004 45.100 -1.336 0.000 0.956 9 G HN 0.342 nan 8.290 nan 0.000 0.458 10 Y N 1.108 121.094 120.300 -0.524 0.000 2.397 10 Y HA 0.263 4.813 4.550 0.000 0.000 0.335 10 Y C -0.082 175.649 175.900 -0.283 0.000 1.213 10 Y CA 0.269 58.208 58.100 -0.268 0.000 1.391 10 Y CB 1.012 39.409 38.460 -0.104 0.000 1.293 10 Y HN 0.537 nan 8.280 nan 0.000 0.557 11 Y N 5.174 125.328 120.300 -0.242 0.000 2.376 11 Y HA 0.358 4.908 4.550 0.000 0.000 0.326 11 Y C -1.696 173.898 175.900 -0.511 0.000 0.970 11 Y CA -1.876 56.070 58.100 -0.257 0.000 1.248 11 Y CB 0.294 38.717 38.460 -0.062 0.000 1.117 11 Y HN 0.499 nan 8.280 nan 0.000 0.476 12 F N 8.368 127.472 119.950 -1.410 0.000 2.410 12 F HA 0.632 5.159 4.527 0.000 0.000 0.349 12 F C -1.293 173.876 175.800 -1.051 0.000 1.117 12 F CA -1.360 55.843 58.000 -1.328 0.000 1.104 12 F CB 0.716 38.803 39.000 -1.522 0.000 1.122 12 F HN 0.481 nan 8.300 nan 0.000 0.483 13 I N 8.874 128.540 120.570 -1.508 0.000 2.531 13 I HA 0.396 4.566 4.170 0.000 0.000 0.283 13 I C -2.652 172.913 176.117 -0.920 0.000 1.083 13 I CA -2.422 58.252 61.300 -1.042 0.000 1.071 13 I CB 1.647 39.374 38.000 -0.455 0.000 1.210 13 I HN 0.419 nan 8.210 nan 0.000 0.450 14 P HA 0.080 nan 4.420 nan 0.000 0.266 14 P C 0.663 177.912 177.300 -0.085 0.000 1.193 14 P CA 0.115 62.975 63.100 -0.399 0.000 0.770 14 P CB 0.630 32.206 31.700 -0.206 0.000 0.836 15 T N 1.133 115.730 114.554 0.072 0.000 2.653 15 T HA -0.242 4.108 4.350 0.000 0.000 0.268 15 T C 1.632 176.391 174.700 0.099 0.000 1.035 15 T CA 2.087 64.276 62.100 0.150 0.000 1.154 15 T CB -0.792 68.197 68.868 0.202 0.000 0.862 15 T HN 0.544 nan 8.240 nan 0.000 0.441 16 N N 0.831 119.574 118.700 0.070 0.000 2.061 16 N HA -0.144 4.596 4.740 0.000 0.000 0.193 16 N C 1.984 177.529 175.510 0.058 0.000 1.030 16 N CA 1.630 54.714 53.050 0.058 0.000 0.856 16 N CB -0.205 38.308 38.487 0.042 0.000 1.023 16 N HN 0.494 nan 8.380 nan 0.000 0.424 17 Q N -0.386 119.441 119.800 0.044 0.000 2.079 17 Q HA -0.060 4.280 4.340 0.000 0.000 0.200 17 Q C 2.199 178.300 176.000 0.169 0.000 0.974 17 Q CA 1.291 57.140 55.803 0.076 0.000 0.840 17 Q CB -0.089 28.670 28.738 0.035 0.000 0.898 17 Q HN 0.501 nan 8.270 nan 0.000 0.430 18 I N 1.369 122.035 120.570 0.160 0.000 2.208 18 I HA -0.314 3.857 4.170 0.000 0.000 0.245 18 I C 1.674 177.880 176.117 0.148 0.000 1.097 18 I CA 0.910 62.321 61.300 0.184 0.000 1.363 18 I CB -0.307 37.789 38.000 0.160 0.000 1.051 18 I HN 0.217 nan 8.210 nan 0.000 0.413 19 N N 0.818 119.581 118.700 0.105 0.000 2.309 19 N HA -0.101 4.639 4.740 0.000 0.000 0.182 19 N C 0.750 176.311 175.510 0.084 0.000 1.018 19 N CA 0.987 54.082 53.050 0.075 0.000 0.876 19 N CB -0.291 38.231 38.487 0.059 0.000 0.972 19 N HN 0.426 nan 8.380 nan 0.000 0.434 20 N N -0.097 118.661 118.700 0.098 0.000 2.338 20 N HA -0.027 4.713 4.740 0.000 0.000 0.251 20 N C -0.656 174.903 175.510 0.083 0.000 1.199 20 N CA -0.277 52.816 53.050 0.072 0.000 0.879 20 N CB 0.219 38.730 38.487 0.040 0.000 1.159 20 N HN 0.187 nan 8.380 nan 0.000 0.514 21 Y N 2.213 122.530 120.300 0.030 0.000 2.805 21 Y HA -0.047 4.503 4.550 0.000 0.000 0.331 21 Y C 0.618 176.538 175.900 0.033 0.000 1.241 21 Y CA 0.933 59.058 58.100 0.042 0.000 1.546 21 Y CB 0.334 38.827 38.460 0.055 0.000 1.248 21 Y HN -0.092 nan 8.280 nan 0.000 0.559 22 T N 4.993 119.130 114.554 -0.695 0.000 2.932 22 T HA 0.312 4.662 4.350 0.000 0.000 0.318 22 T C -0.374 173.978 174.700 -0.581 0.000 1.265 22 T CA -0.714 61.109 62.100 -0.462 0.000 1.036 22 T CB 1.153 69.900 68.868 -0.203 0.000 1.209 22 T HN 0.726 nan 8.240 nan 0.000 0.484 23 E N 1.629 121.631 120.200 -0.329 0.000 2.548 23 E HA 0.152 4.502 4.350 0.000 0.000 0.206 23 E C 0.463 176.984 176.600 -0.132 0.000 1.005 23 E CA 0.004 56.274 56.400 -0.217 0.000 0.951 23 E CB 0.596 30.242 29.700 -0.091 0.000 1.035 23 E HN 0.720 nan 8.360 nan 0.000 0.470 24 T N -2.137 112.343 114.554 -0.125 0.000 3.288 24 T HA 0.144 4.494 4.350 0.000 0.000 0.293 24 T C -0.075 174.580 174.700 -0.075 0.000 1.008 24 T CA -0.482 61.568 62.100 -0.082 0.000 0.929 24 T CB 0.337 69.169 68.868 -0.060 0.000 1.152 24 T HN -0.160 nan 8.240 nan 0.000 0.517 25 D N 0.554 120.900 120.400 -0.090 0.000 2.381 25 D HA 0.246 4.887 4.640 0.000 0.000 0.245 25 D C 0.774 177.036 176.300 -0.063 0.000 1.297 25 D CA -0.223 53.737 54.000 -0.068 0.000 0.931 25 D CB 1.502 42.264 40.800 -0.063 0.000 1.334 25 D HN -0.067 nan 8.370 nan 0.000 0.535 26 T N 0.009 114.533 114.554 -0.051 0.000 2.918 26 T HA -0.138 4.212 4.350 0.000 0.000 0.271 26 T C 1.777 176.464 174.700 -0.021 0.000 1.104 26 T CA 1.875 63.954 62.100 -0.034 0.000 1.114 26 T CB 0.137 68.987 68.868 -0.029 0.000 0.855 26 T HN 0.439 nan 8.240 nan 0.000 0.518 27 S N -0.348 115.336 115.700 -0.026 0.000 2.527 27 S HA 0.082 4.552 4.470 0.000 0.000 0.222 27 S C 1.845 176.434 174.600 -0.018 0.000 0.985 27 S CA 0.067 58.255 58.200 -0.020 0.000 0.921 27 S CB 0.011 63.199 63.200 -0.020 0.000 0.772 27 S HN 0.331 nan 8.310 nan 0.000 0.529 28 V N 0.482 120.380 119.914 -0.027 0.000 2.627 28 V HA 0.287 4.407 4.120 0.000 0.000 0.239 28 V C 0.517 176.598 176.094 -0.021 0.000 1.077 28 V CA 0.440 62.725 62.300 -0.025 0.000 1.103 28 V CB 0.383 32.183 31.823 -0.038 0.000 0.802 28 V HN 0.395 nan 8.190 nan 0.000 0.482 29 V N 1.916 121.805 119.914 -0.043 0.000 2.276 29 V HA 0.289 4.409 4.120 0.000 0.000 0.268 29 V C -1.842 174.263 176.094 0.018 0.000 1.032 29 V CA -0.936 61.353 62.300 -0.017 0.000 0.810 29 V CB 1.013 32.763 31.823 -0.122 0.000 1.060 29 V HN 0.317 nan 8.190 nan 0.000 0.446 30 P HA -0.140 nan 4.420 nan 0.000 0.217 30 P C 0.187 177.597 177.300 0.184 0.000 1.148 30 P CA 1.483 64.641 63.100 0.096 0.000 0.828 30 P CB 0.131 31.895 31.700 0.106 0.000 0.783 31 F N 0.135 120.136 119.950 0.085 0.000 2.931 31 F HA 0.369 4.896 4.527 0.000 0.000 0.375 31 F C -2.615 173.348 175.800 0.272 0.000 1.243 31 F CA -2.858 55.237 58.000 0.160 0.000 1.206 31 F CB 0.983 40.095 39.000 0.186 0.000 1.643 31 F HN -0.204 nan 8.300 nan 0.000 0.593 32 P HA 0.085 nan 4.420 nan 0.000 0.274 32 P C 0.922 178.408 177.300 0.310 0.000 1.246 32 P CA -0.102 63.174 63.100 0.293 0.000 0.795 32 P CB 1.875 33.589 31.700 0.022 0.000 1.006 33 V N 0.927 121.062 119.914 0.368 0.000 2.594 33 V HA -0.220 3.901 4.120 0.000 0.000 0.253 33 V C 2.642 178.790 176.094 0.090 0.000 1.069 33 V CA 2.553 64.936 62.300 0.139 0.000 1.082 33 V CB -1.832 30.028 31.823 0.063 0.000 0.680 33 V HN 0.737 nan 8.190 nan 0.000 0.469 34 S N 0.299 116.055 115.700 0.092 0.000 2.488 34 S HA -0.263 4.207 4.470 0.000 0.000 0.246 34 S C 1.551 176.131 174.600 -0.033 0.000 0.992 34 S CA 1.880 60.097 58.200 0.028 0.000 0.963 34 S CB -1.006 62.204 63.200 0.017 0.000 0.754 34 S HN 0.771 nan 8.310 nan 0.000 0.519 35 N N 0.635 119.278 118.700 -0.094 0.000 2.331 35 N HA 0.150 4.890 4.740 0.000 0.000 0.180 35 N C -0.180 175.320 175.510 -0.017 0.000 1.019 35 N CA 0.552 53.490 53.050 -0.187 0.000 0.881 35 N CB -0.084 37.999 38.487 -0.673 0.000 0.972 35 N HN 0.460 nan 8.380 nan 0.000 0.435 36 I N 2.019 122.629 120.570 0.067 0.000 2.322 36 I HA 0.033 4.203 4.170 0.000 0.000 0.292 36 I C 0.694 176.837 176.117 0.042 0.000 1.060 36 I CA -0.394 60.968 61.300 0.103 0.000 1.309 36 I CB 0.900 38.979 38.000 0.131 0.000 1.415 36 I HN 0.018 nan 8.210 nan 0.000 0.492 37 T N 2.977 117.542 114.554 0.017 0.000 2.862 37 T HA 0.344 4.694 4.350 0.000 0.000 0.276 37 T C -1.869 172.786 174.700 -0.074 0.000 0.974 37 T CA -1.875 60.198 62.100 -0.044 0.000 0.966 37 T CB 1.338 70.177 68.868 -0.048 0.000 1.072 37 T HN 0.209 nan 8.240 nan 0.000 0.538 38 P HA -0.096 nan 4.420 nan 0.000 0.216 38 P C 1.660 178.927 177.300 -0.055 0.000 1.153 38 P CA 1.698 64.637 63.100 -0.268 0.000 0.858 38 P CB -0.326 31.035 31.700 -0.565 0.000 0.789 39 A N -0.121 122.670 122.820 -0.048 0.000 1.902 39 A HA -0.227 4.093 4.320 0.000 0.000 0.217 39 A C 2.065 179.666 177.584 0.029 0.000 1.181 39 A CA 1.779 53.815 52.037 -0.001 0.000 0.623 39 A CB -0.996 18.000 19.000 -0.006 0.000 0.818 39 A HN 0.167 nan 8.150 nan 0.000 0.443 40 K N -0.336 120.086 120.400 0.037 0.000 2.155 40 K HA 0.042 4.362 4.320 0.000 0.000 0.203 40 K C 2.219 178.875 176.600 0.093 0.000 1.052 40 K CA 0.893 57.225 56.287 0.076 0.000 0.948 40 K CB -0.266 32.294 32.500 0.100 0.000 0.728 40 K HN 0.431 nan 8.250 nan 0.000 0.448 41 A N 2.037 124.905 122.820 0.081 0.000 1.969 41 A HA -0.163 4.157 4.320 0.000 0.000 0.218 41 A C 1.803 179.440 177.584 0.090 0.000 1.169 41 A CA 1.333 53.428 52.037 0.097 0.000 0.635 41 A CB -0.224 18.848 19.000 0.121 0.000 0.810 41 A HN 0.181 nan 8.150 nan 0.000 0.445 42 K N -0.362 120.086 120.400 0.080 0.000 2.283 42 K HA -0.119 4.201 4.320 0.000 0.000 0.202 42 K C 1.745 178.388 176.600 0.073 0.000 1.048 42 K CA 1.270 57.599 56.287 0.071 0.000 0.948 42 K CB -0.098 32.438 32.500 0.061 0.000 0.742 42 K HN 0.644 nan 8.250 nan 0.000 0.458 43 Q N 0.159 120.010 119.800 0.085 0.000 2.451 43 Q HA 0.093 4.433 4.340 0.000 0.000 0.206 43 Q C -0.081 175.998 176.000 0.130 0.000 0.947 43 Q CA 0.272 56.135 55.803 0.100 0.000 0.937 43 Q CB 0.202 28.998 28.738 0.096 0.000 1.025 43 Q HN 0.186 nan 8.270 nan 0.000 0.511 44 L N -0.575 120.718 121.223 0.118 0.000 2.333 44 L HA 0.302 4.642 4.340 0.000 0.000 0.269 44 L C 1.071 177.978 176.870 0.062 0.000 1.010 44 L CA -0.353 54.559 54.840 0.119 0.000 0.818 44 L CB 1.785 43.916 42.059 0.121 0.000 1.306 44 L HN -0.020 nan 8.230 nan 0.000 0.430 45 T N -3.815 110.774 114.554 0.057 0.000 3.000 45 T HA 0.249 4.600 4.350 0.000 0.000 0.248 45 T C 0.248 174.804 174.700 -0.241 0.000 1.034 45 T CA 0.226 62.295 62.100 -0.050 0.000 1.060 45 T CB 0.032 68.924 68.868 0.040 0.000 0.983 45 T HN 0.538 nan 8.240 nan 0.000 0.482 46 H N -0.457 118.584 119.070 -0.049 0.000 2.894 46 H HA 0.689 5.245 4.556 0.000 0.000 0.367 46 H C -1.318 173.945 175.328 -0.110 0.000 1.144 46 H CA -0.942 55.065 56.048 -0.068 0.000 1.180 46 H CB 1.711 31.402 29.762 -0.119 0.000 1.758 46 H HN 0.146 nan 8.280 nan 0.000 0.541 47 I N 2.228 122.832 120.570 0.057 0.000 2.439 47 I HA 0.239 4.409 4.170 0.000 0.000 0.285 47 I C -0.564 175.557 176.117 0.007 0.000 1.021 47 I CA -0.383 60.917 61.300 0.000 0.000 1.091 47 I CB 1.321 39.355 38.000 0.056 0.000 1.242 47 I HN 0.559 nan 8.210 nan 0.000 0.439 48 N N 6.601 125.199 118.700 -0.170 0.000 2.500 48 N HA 0.244 4.985 4.740 0.000 0.000 0.236 48 N C -0.720 174.791 175.510 0.001 0.000 1.022 48 N CA -0.519 52.404 53.050 -0.212 0.000 0.935 48 N CB 1.169 39.163 38.487 -0.822 0.000 1.147 48 N HN 0.381 nan 8.380 nan 0.000 0.512 49 F N 2.568 122.540 119.950 0.037 0.000 2.504 49 F HA 0.096 4.623 4.527 0.000 0.000 0.369 49 F C -0.080 175.731 175.800 0.018 0.000 1.082 49 F CA 0.060 58.136 58.000 0.127 0.000 1.216 49 F CB 0.469 39.628 39.000 0.265 0.000 1.108 49 F HN 0.198 nan 8.300 nan 0.000 0.554 50 S N 6.254 121.506 115.700 -0.747 0.000 2.521 50 S HA 0.718 5.188 4.470 0.000 0.000 0.295 50 S C -1.298 172.971 174.600 -0.552 0.000 1.098 50 S CA -0.505 57.267 58.200 -0.712 0.000 0.999 50 S CB 1.321 63.751 63.200 -1.285 0.000 1.034 50 S HN 0.490 nan 8.310 nan 0.000 0.483 51 F N 0.983 121.004 119.950 0.119 0.000 2.613 51 F HA 0.678 5.205 4.527 0.000 0.000 0.314 51 F C -0.459 175.514 175.800 0.289 0.000 1.075 51 F CA -0.899 57.241 58.000 0.233 0.000 0.945 51 F CB 1.103 40.243 39.000 0.234 0.000 1.310 51 F HN 0.331 nan 8.300 nan 0.000 0.467 52 L N 0.712 122.201 121.223 0.444 0.000 2.299 52 L HA 0.633 4.973 4.340 0.000 0.000 0.268 52 L C -0.641 176.425 176.870 0.326 0.000 1.012 52 L CA -0.234 54.703 54.840 0.162 0.000 0.816 52 L CB 1.442 43.443 42.059 -0.098 0.000 1.355 52 L HN 0.644 nan 8.230 nan 0.000 0.457 53 D N -1.345 119.130 120.400 0.125 0.000 2.798 53 D HA 0.538 5.178 4.640 0.000 0.000 0.308 53 D C -1.520 174.745 176.300 -0.059 0.000 1.187 53 D CA -0.334 53.702 54.000 0.060 0.000 1.033 53 D CB 1.342 41.944 40.800 -0.331 0.000 1.445 53 D HN 0.255 nan 8.370 nan 0.000 0.550 54 I N 2.013 122.430 120.570 -0.255 0.000 2.436 54 I HA 0.329 4.499 4.170 0.000 0.000 0.289 54 I C -0.182 175.774 176.117 -0.268 0.000 1.010 54 I CA -0.946 60.157 61.300 -0.329 0.000 1.098 54 I CB 1.471 38.981 38.000 -0.816 0.000 1.266 54 I HN 0.332 nan 8.210 nan 0.000 0.434 55 N N 3.197 121.805 118.700 -0.154 0.000 2.405 55 N HA 0.110 4.851 4.740 0.000 0.000 0.269 55 N C 0.902 176.334 175.510 -0.130 0.000 1.249 55 N CA -0.544 52.431 53.050 -0.126 0.000 0.974 55 N CB 0.451 38.902 38.487 -0.061 0.000 1.204 55 N HN 0.548 nan 8.380 nan 0.000 0.565 56 S N -1.714 113.926 115.700 -0.100 0.000 2.500 56 S HA -0.195 4.275 4.470 0.000 0.000 0.239 56 S C 1.060 175.616 174.600 -0.074 0.000 0.989 56 S CA 0.864 59.009 58.200 -0.091 0.000 0.951 56 S CB -0.844 62.316 63.200 -0.067 0.000 0.759 56 S HN 0.752 nan 8.310 nan 0.000 0.523 57 N N 1.249 119.915 118.700 -0.057 0.000 2.398 57 N HA 0.100 4.840 4.740 0.000 0.000 0.188 57 N C -0.003 175.485 175.510 -0.037 0.000 1.122 57 N CA 0.398 53.427 53.050 -0.036 0.000 0.866 57 N CB -0.148 38.330 38.487 -0.015 0.000 0.970 57 N HN 0.459 nan 8.380 nan 0.000 0.462 58 L N 0.357 121.538 121.223 -0.071 0.000 3.730 58 L HA -0.200 4.140 4.340 0.000 0.000 0.410 58 L C -1.129 175.766 176.870 0.040 0.000 1.234 58 L CA 0.700 55.491 54.840 -0.082 0.000 0.911 58 L CB -1.864 40.150 42.059 -0.075 0.000 1.942 58 L HN 0.313 nan 8.230 nan 0.000 0.860 59 E N -0.566 119.667 120.200 0.055 0.000 2.343 59 E HA 0.379 4.730 4.350 0.000 0.000 0.270 59 E C -0.437 176.238 176.600 0.123 0.000 0.895 59 E CA -0.766 55.715 56.400 0.136 0.000 0.767 59 E CB 2.788 32.522 29.700 0.057 0.000 1.248 59 E HN 0.268 nan 8.360 nan 0.000 0.440 60 C N 2.142 121.518 119.300 0.126 0.000 2.648 60 C HA 0.663 5.123 4.460 0.000 0.000 0.419 60 C C 0.112 175.114 174.990 0.021 0.000 1.352 60 C CA 0.250 59.320 59.018 0.087 0.000 1.816 60 C CB -1.667 26.077 27.740 0.006 0.000 2.598 60 C HN 0.675 nan 8.230 nan 0.000 0.598 61 A N 5.021 127.838 122.820 -0.006 0.000 2.586 61 A HA 0.731 5.051 4.320 0.000 0.000 0.290 61 A C -1.503 176.073 177.584 -0.013 0.000 1.086 61 A CA -0.733 51.312 52.037 0.013 0.000 0.665 61 A CB 0.207 19.249 19.000 0.071 0.000 1.279 61 A HN 0.912 nan 8.150 nan 0.000 0.423 62 W N 0.528 121.836 121.300 0.014 0.000 2.141 62 W HA 0.447 5.107 4.660 0.000 0.000 0.354 62 W C 0.470 177.019 176.519 0.050 0.000 1.297 62 W CA 0.636 58.012 57.345 0.050 0.000 1.380 62 W CB 0.473 29.943 29.460 0.017 0.000 1.168 62 W HN 0.699 nan 8.180 nan 0.000 0.639 63 D N 1.766 122.399 120.400 0.389 0.000 2.450 63 D HA 0.008 4.649 4.640 0.000 0.000 0.247 63 D C -1.446 174.982 176.300 0.213 0.000 1.162 63 D CA -1.391 52.750 54.000 0.236 0.000 0.879 63 D CB 1.309 42.303 40.800 0.324 0.000 1.163 63 D HN -0.050 nan 8.370 nan 0.000 0.472 64 P HA -0.137 nan 4.420 nan 0.000 0.217 64 P C 0.773 178.129 177.300 0.093 0.000 1.148 64 P CA 1.617 64.777 63.100 0.101 0.000 0.828 64 P CB 0.116 31.854 31.700 0.064 0.000 0.783 65 A N -1.559 121.326 122.820 0.109 0.000 2.209 65 A HA -0.000 4.320 4.320 0.000 0.000 0.212 65 A C 0.960 178.598 177.584 0.089 0.000 1.158 65 A CA 0.783 52.877 52.037 0.095 0.000 0.742 65 A CB -1.321 17.745 19.000 0.110 0.000 0.790 65 A HN 0.149 nan 8.150 nan 0.000 0.472 66 T N 1.762 116.380 114.554 0.107 0.000 2.901 66 T HA 0.097 4.447 4.350 0.000 0.000 0.301 66 T C 0.259 174.941 174.700 -0.029 0.000 1.012 66 T CA -0.417 61.719 62.100 0.060 0.000 1.135 66 T CB 0.401 69.322 68.868 0.088 0.000 0.936 66 T HN 0.397 nan 8.240 nan 0.000 0.539 67 N N 2.458 121.130 118.700 -0.047 0.000 2.401 67 N HA -0.009 4.731 4.740 0.000 0.000 0.255 67 N C 0.714 176.128 175.510 -0.159 0.000 1.110 67 N CA -0.100 52.909 53.050 -0.068 0.000 0.949 67 N CB 1.043 39.509 38.487 -0.035 0.000 1.110 67 N HN 0.608 nan 8.380 nan 0.000 0.490 68 D N 3.899 124.197 120.400 -0.170 0.000 2.116 68 D HA -0.161 4.480 4.640 0.000 0.000 0.193 68 D C 1.695 177.873 176.300 -0.203 0.000 0.998 68 D CA 2.004 55.861 54.000 -0.239 0.000 0.836 68 D CB 0.196 40.913 40.800 -0.138 0.000 0.951 68 D HN 0.680 nan 8.370 nan 0.000 0.449 69 A N 0.430 123.170 122.820 -0.133 0.000 1.883 69 A HA -0.202 4.118 4.320 0.000 0.000 0.217 69 A C 2.097 179.610 177.584 -0.119 0.000 1.186 69 A CA 1.530 53.500 52.037 -0.111 0.000 0.624 69 A CB -0.440 18.515 19.000 -0.074 0.000 0.822 69 A HN 0.090 nan 8.150 nan 0.000 0.444 70 K N -0.080 120.256 120.400 -0.107 0.000 2.147 70 K HA -0.033 4.288 4.320 0.000 0.000 0.205 70 K C 2.250 178.748 176.600 -0.170 0.000 1.049 70 K CA 1.209 57.443 56.287 -0.088 0.000 0.936 70 K CB -0.762 31.723 32.500 -0.025 0.000 0.722 70 K HN 0.474 nan 8.250 nan 0.000 0.446 71 A N 1.849 124.502 122.820 -0.278 0.000 1.845 71 A HA -0.190 4.130 4.320 0.000 0.000 0.215 71 A C 2.239 179.615 177.584 -0.348 0.000 1.195 71 A CA 1.527 53.272 52.037 -0.487 0.000 0.616 71 A CB -0.528 17.815 19.000 -1.095 0.000 0.832 71 A HN 0.270 nan 8.150 nan 0.000 0.443 72 R N -0.597 119.769 120.500 -0.224 0.000 2.117 72 R HA -0.196 4.144 4.340 0.000 0.000 0.243 72 R C 1.954 178.166 176.300 -0.146 0.000 1.143 72 R CA 1.668 57.707 56.100 -0.101 0.000 0.968 72 R CB -0.499 29.738 30.300 -0.105 0.000 0.863 72 R HN 0.740 nan 8.270 nan 0.000 0.444 73 D N 0.028 120.335 120.400 -0.155 0.000 2.117 73 D HA -0.115 4.525 4.640 0.000 0.000 0.198 73 D C 1.715 177.888 176.300 -0.211 0.000 0.982 73 D CA 0.895 54.807 54.000 -0.146 0.000 0.828 73 D CB 0.222 40.957 40.800 -0.109 0.000 0.967 73 D HN -0.050 nan 8.370 nan 0.000 0.464 74 V N -0.175 119.567 119.914 -0.286 0.000 2.358 74 V HA -0.174 3.947 4.120 0.000 0.000 0.246 74 V C 2.511 178.514 176.094 -0.152 0.000 1.047 74 V CA 1.155 63.258 62.300 -0.328 0.000 1.035 74 V CB -0.219 31.475 31.823 -0.215 0.000 0.658 74 V HN 0.179 nan 8.190 nan 0.000 0.452 75 V N 0.705 120.509 119.914 -0.184 0.000 2.515 75 V HA -0.198 3.923 4.120 0.000 0.000 0.250 75 V C 2.281 178.274 176.094 -0.169 0.000 1.058 75 V CA 1.801 63.973 62.300 -0.214 0.000 1.064 75 V CB -0.853 30.748 31.823 -0.369 0.000 0.675 75 V HN 0.563 nan 8.190 nan 0.000 0.461 76 N N 0.577 119.189 118.700 -0.148 0.000 2.142 76 N HA -0.110 4.630 4.740 0.000 0.000 0.186 76 N C 1.973 177.441 175.510 -0.070 0.000 1.023 76 N CA 1.188 54.172 53.050 -0.111 0.000 0.852 76 N CB -0.339 38.089 38.487 -0.098 0.000 0.998 76 N HN 0.458 nan 8.380 nan 0.000 0.424 77 R N 0.387 120.848 120.500 -0.064 0.000 2.120 77 R HA 0.019 4.359 4.340 0.000 0.000 0.234 77 R C 2.114 178.406 176.300 -0.013 0.000 1.123 77 R CA 0.726 56.813 56.100 -0.023 0.000 0.975 77 R CB -0.242 30.052 30.300 -0.012 0.000 0.866 77 R HN 0.222 nan 8.270 nan 0.000 0.446 78 L N -0.253 120.955 121.223 -0.026 0.000 2.049 78 L HA -0.115 4.225 4.340 0.000 0.000 0.203 78 L C 2.636 179.514 176.870 0.012 0.000 1.074 78 L CA 1.632 56.470 54.840 -0.002 0.000 0.749 78 L CB -0.809 41.277 42.059 0.044 0.000 0.907 78 L HN 0.333 nan 8.230 nan 0.000 0.439 79 T N -2.288 112.257 114.554 -0.015 0.000 2.881 79 T HA -0.118 4.232 4.350 0.000 0.000 0.270 79 T C 1.886 176.575 174.700 -0.019 0.000 1.068 79 T CA 0.873 62.964 62.100 -0.016 0.000 1.131 79 T CB -0.376 68.457 68.868 -0.058 0.000 0.871 79 T HN 0.299 nan 8.240 nan 0.000 0.479 80 A N 1.858 124.667 122.820 -0.019 0.000 1.978 80 A HA 0.116 4.436 4.320 0.000 0.000 0.220 80 A C 2.379 179.958 177.584 -0.009 0.000 1.170 80 A CA 1.286 53.312 52.037 -0.019 0.000 0.636 80 A CB -0.932 18.072 19.000 0.006 0.000 0.810 80 A HN 0.587 nan 8.150 nan 0.000 0.448 81 L N -0.880 120.370 121.223 0.045 0.000 2.187 81 L HA -0.221 4.120 4.340 0.000 0.000 0.213 81 L C 2.348 179.242 176.870 0.040 0.000 1.100 81 L CA 1.592 56.498 54.840 0.110 0.000 0.765 81 L CB -0.477 41.641 42.059 0.099 0.000 0.904 81 L HN 0.347 nan 8.230 nan 0.000 0.437 82 K N 0.284 120.680 120.400 -0.006 0.000 2.281 82 K HA -0.172 4.148 4.320 0.000 0.000 0.203 82 K C 2.214 178.763 176.600 -0.084 0.000 1.046 82 K CA 1.195 57.467 56.287 -0.026 0.000 0.938 82 K CB -0.274 32.215 32.500 -0.019 0.000 0.737 82 K HN 0.336 nan 8.250 nan 0.000 0.458 83 A N 1.028 123.736 122.820 -0.187 0.000 1.972 83 A HA -0.163 4.157 4.320 0.000 0.000 0.219 83 A C 1.292 178.652 177.584 -0.373 0.000 1.169 83 A CA 1.270 53.113 52.037 -0.323 0.000 0.635 83 A CB -0.429 18.282 19.000 -0.482 0.000 0.810 83 A HN 0.316 nan 8.150 nan 0.000 0.446 84 H N -1.514 117.560 119.070 0.007 0.000 2.517 84 H HA 0.176 4.732 4.556 0.000 0.000 0.282 84 H C -0.371 174.964 175.328 0.011 0.000 1.023 84 H CA 0.354 56.408 56.048 0.010 0.000 1.169 84 H CB 0.086 29.857 29.762 0.014 0.000 1.454 84 H HN 0.455 nan 8.280 nan 0.000 0.556 85 N N 0.919 119.652 118.700 0.055 0.000 2.875 85 N HA 0.035 4.776 4.740 0.000 0.000 0.253 85 N C -2.279 173.233 175.510 0.003 0.000 1.296 85 N CA -1.119 51.955 53.050 0.040 0.000 0.816 85 N CB 1.551 40.069 38.487 0.052 0.000 1.504 85 N HN -0.102 nan 8.380 nan 0.000 0.582 86 P HA -0.085 nan 4.420 nan 0.000 0.221 86 P C 0.503 177.789 177.300 -0.024 0.000 1.145 86 P CA 1.045 64.134 63.100 -0.017 0.000 0.795 86 P CB 0.301 31.994 31.700 -0.012 0.000 0.775 87 S N -1.833 113.853 115.700 -0.023 0.000 2.540 87 S HA 0.168 4.638 4.470 0.000 0.000 0.218 87 S C 0.663 175.215 174.600 -0.080 0.000 0.977 87 S CA -0.585 57.589 58.200 -0.043 0.000 0.918 87 S CB -0.770 62.412 63.200 -0.029 0.000 0.806 87 S HN 0.014 nan 8.310 nan 0.000 0.496 88 L N 2.998 124.187 121.223 -0.056 0.000 2.416 88 L HA 0.427 4.767 4.340 0.000 0.000 0.272 88 L C -0.005 176.817 176.870 -0.080 0.000 1.161 88 L CA 0.160 54.958 54.840 -0.071 0.000 0.845 88 L CB 0.365 42.418 42.059 -0.010 0.000 1.119 88 L HN 0.110 nan 8.230 nan 0.000 0.464 89 R N 5.343 125.762 120.500 -0.136 0.000 2.599 89 R HA 0.556 4.896 4.340 0.000 0.000 0.295 89 R C -1.200 175.142 176.300 0.070 0.000 0.963 89 R CA -0.919 55.156 56.100 -0.043 0.000 0.883 89 R CB 1.612 31.846 30.300 -0.109 0.000 1.171 89 R HN 0.530 nan 8.270 nan 0.000 0.450 90 I N 5.083 125.753 120.570 0.167 0.000 2.337 90 I HA 0.255 4.425 4.170 0.000 0.000 0.285 90 I C 0.144 176.495 176.117 0.390 0.000 1.041 90 I CA -0.286 61.171 61.300 0.262 0.000 1.199 90 I CB 0.921 39.090 38.000 0.281 0.000 1.370 90 I HN 0.510 nan 8.210 nan 0.000 0.470 91 M N 6.280 126.033 119.600 0.256 0.000 2.368 91 M HA 0.482 4.962 4.480 0.000 0.000 0.311 91 M C -0.368 175.939 176.300 0.011 0.000 1.168 91 M CA -0.506 54.878 55.300 0.140 0.000 1.044 91 M CB 1.351 33.957 32.600 0.010 0.000 1.506 91 M HN 0.355 nan 8.290 nan 0.000 0.475 92 F N -1.035 118.660 119.950 -0.425 0.000 2.540 92 F HA 0.717 5.244 4.527 0.000 0.000 0.317 92 F C -0.374 175.305 175.800 -0.201 0.000 1.104 92 F CA -1.072 56.577 58.000 -0.585 0.000 0.913 92 F CB 1.255 39.326 39.000 -1.548 0.000 1.170 92 F HN 0.487 nan 8.300 nan 0.000 0.450 93 S N 4.073 119.776 115.700 0.005 0.000 2.462 93 S HA 0.694 5.164 4.470 0.000 0.000 0.294 93 S C -0.682 174.120 174.600 0.336 0.000 1.144 93 S CA -0.637 57.652 58.200 0.149 0.000 1.088 93 S CB 0.367 63.831 63.200 0.440 0.000 1.009 93 S HN 0.623 nan 8.310 nan 0.000 0.484 94 I N 5.004 125.727 120.570 0.255 0.000 2.321 94 I HA 0.604 4.774 4.170 0.000 0.000 0.291 94 I C 1.005 177.337 176.117 0.359 0.000 0.998 94 I CA -0.007 61.500 61.300 0.345 0.000 1.227 94 I CB 0.893 39.074 38.000 0.301 0.000 1.368 94 I HN 0.978 nan 8.210 nan 0.000 0.466 95 G N 4.275 113.255 108.800 0.301 0.000 2.254 95 G HA2 0.356 4.316 3.960 0.000 0.000 0.193 95 G HA3 0.356 4.316 3.960 0.000 0.000 0.193 95 G C -0.105 174.311 174.900 -0.806 0.000 1.233 95 G CA 0.030 45.077 45.100 -0.089 0.000 1.290 95 G HN 1.413 nan 8.290 nan 0.000 0.517 96 G N -1.940 106.216 108.800 -1.074 0.000 2.629 96 G HA2 0.151 4.111 3.960 0.000 0.000 0.686 96 G HA3 0.151 4.111 3.960 0.000 0.000 0.686 96 G C 0.654 175.048 174.900 -0.842 0.000 1.232 96 G CA 0.428 44.559 45.100 -1.615 0.000 0.803 96 G HN 1.931 nan 8.290 nan 0.000 0.638 97 W N 1.108 121.950 121.300 -0.763 0.000 2.318 97 W HA -0.228 4.433 4.660 0.000 0.000 0.313 97 W C 1.952 178.229 176.519 -0.402 0.000 1.221 97 W CA 2.617 59.633 57.345 -0.549 0.000 1.266 97 W CB -0.228 28.956 29.460 -0.460 0.000 1.150 97 W HN 0.720 nan 8.180 nan 0.000 0.496 98 Y N 0.418 120.439 120.300 -0.465 0.000 2.181 98 Y HA -0.312 4.238 4.550 0.000 0.000 0.288 98 Y C 2.414 178.137 175.900 -0.295 0.000 1.146 98 Y CA 2.478 60.354 58.100 -0.373 0.000 1.164 98 Y CB -1.227 37.072 38.460 -0.269 0.000 0.982 98 Y HN -0.114 nan 8.280 nan 0.000 0.515 99 Y N -0.589 119.429 120.300 -0.469 0.000 2.206 99 Y HA -0.085 4.465 4.550 0.000 0.000 0.292 99 Y C 2.934 178.469 175.900 -0.608 0.000 1.123 99 Y CA 1.153 58.969 58.100 -0.474 0.000 1.142 99 Y CB -1.307 37.009 38.460 -0.241 0.000 1.006 99 Y HN 0.273 nan 8.280 nan 0.000 0.518 100 S N 0.223 115.532 115.700 -0.653 0.000 2.524 100 S HA 0.025 4.495 4.470 0.000 0.000 0.216 100 S C 0.517 174.673 174.600 -0.739 0.000 0.987 100 S CA -0.193 57.445 58.200 -0.936 0.000 0.909 100 S CB -1.262 61.174 63.200 -1.272 0.000 0.781 100 S HN 0.517 nan 8.310 nan 0.000 0.521 101 N N 1.732 119.855 118.700 -0.961 0.000 2.381 101 N HA 0.061 4.802 4.740 0.000 0.000 0.241 101 N C 0.207 175.199 175.510 -0.864 0.000 1.279 101 N CA 0.125 52.502 53.050 -1.122 0.000 0.896 101 N CB 0.142 37.366 38.487 -2.105 0.000 1.118 101 N HN -0.165 nan 8.380 nan 0.000 0.438 102 D N -0.057 119.866 120.400 -0.795 0.000 2.157 102 D HA -0.145 4.495 4.640 0.000 0.000 0.191 102 D C 0.965 176.915 176.300 -0.584 0.000 1.004 102 D CA 1.459 54.928 54.000 -0.885 0.000 0.854 102 D CB -0.085 40.483 40.800 -0.387 0.000 0.936 102 D HN 0.423 nan 8.370 nan 0.000 0.446 103 L N 0.056 121.033 121.223 -0.410 0.000 2.685 103 L HA 0.320 4.660 4.340 0.000 0.000 0.233 103 L C 1.239 177.928 176.870 -0.303 0.000 1.173 103 L CA -0.059 54.625 54.840 -0.260 0.000 0.961 103 L CB -0.546 41.421 42.059 -0.154 0.000 1.217 103 L HN -0.170 nan 8.230 nan 0.000 0.478 104 G N -0.196 108.344 108.800 -0.434 0.000 2.569 104 G HA2 0.298 4.259 3.960 0.000 0.000 0.249 104 G HA3 0.298 4.259 3.960 0.000 0.000 0.249 104 G C 1.337 176.035 174.900 -0.336 0.000 1.216 104 G CA 0.150 44.963 45.100 -0.479 0.000 0.845 104 G HN 0.116 nan 8.290 nan 0.000 0.568 105 V N -0.956 118.715 119.914 -0.404 0.000 2.594 105 V HA -0.072 4.048 4.120 0.000 0.000 0.253 105 V C 1.791 177.776 176.094 -0.181 0.000 1.069 105 V CA 2.244 64.388 62.300 -0.259 0.000 1.082 105 V CB -0.299 31.368 31.823 -0.260 0.000 0.680 105 V HN 0.437 nan 8.190 nan 0.000 0.469 106 S N -1.321 114.271 115.700 -0.180 0.000 2.593 106 S HA 0.215 4.685 4.470 0.000 0.000 0.236 106 S C 1.380 175.961 174.600 -0.033 0.000 0.991 106 S CA 0.111 58.247 58.200 -0.107 0.000 0.963 106 S CB -0.582 62.562 63.200 -0.093 0.000 0.865 106 S HN 0.815 nan 8.310 nan 0.000 0.488 107 H N 2.553 121.491 119.070 -0.219 0.000 2.289 107 H HA -0.211 4.346 4.556 0.000 0.000 0.294 107 H C 2.294 177.501 175.328 -0.202 0.000 1.095 107 H CA 1.909 57.795 56.048 -0.269 0.000 1.256 107 H CB -0.167 29.433 29.762 -0.269 0.000 1.359 107 H HN 0.471 nan 8.280 nan 0.000 0.487 108 A N 1.292 123.958 122.820 -0.257 0.000 1.958 108 A HA -0.280 4.040 4.320 0.000 0.000 0.221 108 A C 2.211 179.603 177.584 -0.321 0.000 1.178 108 A CA 1.984 53.846 52.037 -0.291 0.000 0.642 108 A CB -0.541 18.365 19.000 -0.157 0.000 0.816 108 A HN 0.590 nan 8.150 nan 0.000 0.453 109 N N -1.039 117.487 118.700 -0.290 0.000 2.104 109 N HA -0.173 4.567 4.740 0.000 0.000 0.190 109 N C 1.512 176.669 175.510 -0.588 0.000 1.024 109 N CA 1.842 54.667 53.050 -0.376 0.000 0.853 109 N CB -0.690 37.574 38.487 -0.372 0.000 1.008 109 N HN 0.668 nan 8.380 nan 0.000 0.424 110 Y N 1.140 120.998 120.300 -0.737 0.000 2.114 110 Y HA -0.089 4.461 4.550 0.000 0.000 0.284 110 Y C 2.564 177.884 175.900 -0.967 0.000 1.143 110 Y CA 0.668 58.112 58.100 -1.093 0.000 1.135 110 Y CB -0.869 36.481 38.460 -1.849 0.000 0.980 110 Y HN -0.191 nan 8.280 nan 0.000 0.499 111 V N 0.713 120.212 119.914 -0.692 0.000 2.282 111 V HA -0.339 3.781 4.120 0.000 0.000 0.249 111 V C 1.978 177.959 176.094 -0.188 0.000 1.057 111 V CA 2.222 64.343 62.300 -0.298 0.000 1.032 111 V CB -0.620 31.017 31.823 -0.309 0.000 0.645 111 V HN 0.488 nan 8.190 nan 0.000 0.447 112 N N 0.294 118.847 118.700 -0.245 0.000 2.216 112 N HA -0.051 4.689 4.740 0.000 0.000 0.183 112 N C 1.894 177.299 175.510 -0.175 0.000 1.017 112 N CA 1.503 54.449 53.050 -0.172 0.000 0.861 112 N CB -0.425 37.964 38.487 -0.164 0.000 0.986 112 N HN 0.493 nan 8.380 nan 0.000 0.428 113 A N 0.896 123.544 122.820 -0.287 0.000 1.972 113 A HA -0.096 4.224 4.320 0.000 0.000 0.219 113 A C 2.174 179.641 177.584 -0.194 0.000 1.169 113 A CA 1.681 53.537 52.037 -0.300 0.000 0.635 113 A CB -0.589 18.033 19.000 -0.630 0.000 0.810 113 A HN 0.226 nan 8.150 nan 0.000 0.446 114 V N -3.242 116.584 119.914 -0.146 0.000 3.623 114 V HA 0.115 4.235 4.120 0.000 0.000 0.271 114 V C 1.633 177.753 176.094 0.043 0.000 1.248 114 V CA 1.205 63.510 62.300 0.007 0.000 1.156 114 V CB -0.562 31.360 31.823 0.165 0.000 0.870 114 V HN 0.417 nan 8.190 nan 0.000 0.453 115 K N 1.668 122.073 120.400 0.009 0.000 2.009 115 K HA -0.055 4.265 4.320 0.000 0.000 0.210 115 K C 1.228 177.841 176.600 0.023 0.000 1.049 115 K CA 2.009 58.307 56.287 0.018 0.000 0.929 115 K CB -0.174 32.323 32.500 -0.005 0.000 0.714 115 K HN 0.801 nan 8.250 nan 0.000 0.440 116 T N -3.731 110.833 114.554 0.017 0.000 2.907 116 T HA 0.274 4.625 4.350 0.000 0.000 0.290 116 T C -2.456 172.260 174.700 0.027 0.000 1.066 116 T CA -2.070 60.042 62.100 0.021 0.000 1.012 116 T CB 1.874 70.750 68.868 0.013 0.000 1.184 116 T HN -0.268 nan 8.240 nan 0.000 0.522 117 P HA -0.057 nan 4.420 nan 0.000 0.215 117 P C 1.698 179.015 177.300 0.029 0.000 1.157 117 P CA 1.909 65.025 63.100 0.027 0.000 0.874 117 P CB -0.316 31.396 31.700 0.020 0.000 0.790 118 A N 0.180 123.013 122.820 0.023 0.000 1.851 118 A HA -0.248 4.072 4.320 0.000 0.000 0.216 118 A C 2.454 180.057 177.584 0.031 0.000 1.195 118 A CA 2.935 54.985 52.037 0.022 0.000 0.622 118 A CB -1.795 17.213 19.000 0.014 0.000 0.831 118 A HN 0.345 nan 8.150 nan 0.000 0.444 119 S N -0.123 115.593 115.700 0.027 0.000 2.368 119 S HA -0.210 4.260 4.470 0.000 0.000 0.225 119 S C 2.021 176.669 174.600 0.081 0.000 1.030 119 S CA 1.365 59.584 58.200 0.033 0.000 0.999 119 S CB -0.516 62.684 63.200 -0.001 0.000 0.844 119 S HN 0.607 nan 8.310 nan 0.000 0.459 120 R N 1.423 121.972 120.500 0.082 0.000 2.075 120 R HA 0.124 4.464 4.340 0.000 0.000 0.232 120 R C 2.825 179.205 176.300 0.134 0.000 1.126 120 R CA 1.167 57.349 56.100 0.137 0.000 0.963 120 R CB -0.807 29.552 30.300 0.099 0.000 0.858 120 R HN 0.576 nan 8.270 nan 0.000 0.435 121 A N 1.799 124.664 122.820 0.075 0.000 1.858 121 A HA -0.232 4.088 4.320 0.000 0.000 0.216 121 A C 2.106 179.716 177.584 0.043 0.000 1.190 121 A CA 1.629 53.694 52.037 0.046 0.000 0.617 121 A CB -0.438 18.579 19.000 0.029 0.000 0.827 121 A HN 0.238 nan 8.150 nan 0.000 0.443 122 K N -1.531 118.903 120.400 0.056 0.000 2.032 122 K HA -0.197 4.124 4.320 0.000 0.000 0.209 122 K C 1.868 178.508 176.600 0.066 0.000 1.048 122 K CA 1.847 58.164 56.287 0.049 0.000 0.927 122 K CB -0.384 32.146 32.500 0.049 0.000 0.712 122 K HN 0.388 nan 8.250 nan 0.000 0.441 123 F N 1.424 121.358 119.950 -0.027 0.000 2.075 123 F HA -0.163 4.365 4.527 0.000 0.000 0.297 123 F C 2.074 177.866 175.800 -0.014 0.000 1.113 123 F CA 1.674 59.653 58.000 -0.035 0.000 1.218 123 F CB -0.870 38.099 39.000 -0.052 0.000 0.984 123 F HN 0.118 nan 8.300 nan 0.000 0.472 124 A N 0.167 122.866 122.820 -0.202 0.000 1.892 124 A HA -0.286 4.034 4.320 0.000 0.000 0.218 124 A C 2.158 179.605 177.584 -0.228 0.000 1.188 124 A CA 2.090 53.957 52.037 -0.284 0.000 0.631 124 A CB -1.083 17.877 19.000 -0.066 0.000 0.822 124 A HN 0.656 nan 8.150 nan 0.000 0.447 125 Q N -0.024 119.702 119.800 -0.122 0.000 2.096 125 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 125 Q C 2.502 178.441 176.000 -0.102 0.000 0.982 125 Q CA 2.145 57.898 55.803 -0.084 0.000 0.850 125 Q CB -0.340 28.374 28.738 -0.040 0.000 0.901 125 Q HN 0.889 nan 8.270 nan 0.000 0.422 126 S N -0.200 115.424 115.700 -0.127 0.000 2.382 126 S HA -0.184 4.286 4.470 0.000 0.000 0.228 126 S C 2.173 176.699 174.600 -0.125 0.000 1.027 126 S CA 1.192 59.331 58.200 -0.101 0.000 0.991 126 S CB -0.764 62.392 63.200 -0.073 0.000 0.823 126 S HN 0.424 nan 8.310 nan 0.000 0.469 127 C N 1.162 120.313 119.300 -0.249 0.000 2.432 127 C HA 0.011 4.471 4.460 0.000 0.000 0.277 127 C C 2.824 177.826 174.990 0.021 0.000 1.249 127 C CA 0.766 59.713 59.018 -0.119 0.000 1.725 127 C CB -1.461 26.103 27.740 -0.293 0.000 2.028 127 C HN 0.546 nan 8.230 nan 0.000 0.477 128 V N 0.582 120.464 119.914 -0.054 0.000 2.343 128 V HA -0.214 3.907 4.120 0.000 0.000 0.247 128 V C 2.591 178.662 176.094 -0.038 0.000 1.051 128 V CA 1.816 64.086 62.300 -0.051 0.000 1.036 128 V CB -0.689 31.088 31.823 -0.077 0.000 0.654 128 V HN 0.485 nan 8.190 nan 0.000 0.451 129 R N -0.378 120.103 120.500 -0.031 0.000 2.082 129 R HA -0.152 4.188 4.340 0.000 0.000 0.234 129 R C 2.291 178.606 176.300 0.025 0.000 1.136 129 R CA 1.805 57.898 56.100 -0.013 0.000 0.935 129 R CB -0.411 29.886 30.300 -0.006 0.000 0.842 129 R HN 0.333 nan 8.270 nan 0.000 0.430 130 I N 0.939 121.532 120.570 0.038 0.000 2.151 130 I HA -0.350 3.820 4.170 0.000 0.000 0.243 130 I C 2.522 178.686 176.117 0.078 0.000 1.080 130 I CA 1.555 62.898 61.300 0.072 0.000 1.339 130 I CB -0.950 36.936 38.000 -0.189 0.000 1.039 130 I HN 0.373 nan 8.210 nan 0.000 0.409 131 M N 0.445 120.070 119.600 0.042 0.000 2.065 131 M HA -0.254 4.226 4.480 0.000 0.000 0.259 131 M C 2.195 178.554 176.300 0.098 0.000 1.069 131 M CA 1.917 57.333 55.300 0.193 0.000 1.110 131 M CB -0.149 32.579 32.600 0.213 0.000 1.328 131 M HN 0.026 nan 8.290 nan 0.000 0.405 132 K N 0.067 120.460 120.400 -0.011 0.000 2.155 132 K HA -0.126 4.194 4.320 0.000 0.000 0.203 132 K C 1.687 178.255 176.600 -0.053 0.000 1.052 132 K CA 1.175 57.432 56.287 -0.050 0.000 0.948 132 K CB -0.748 31.707 32.500 -0.075 0.000 0.728 132 K HN 0.466 nan 8.250 nan 0.000 0.448 133 D N -0.114 120.262 120.400 -0.040 0.000 2.144 133 D HA -0.150 4.490 4.640 0.000 0.000 0.200 133 D C 1.208 177.288 176.300 -0.365 0.000 0.978 133 D CA 1.224 55.117 54.000 -0.178 0.000 0.833 133 D CB 0.167 40.875 40.800 -0.153 0.000 0.961 133 D HN 0.203 nan 8.370 nan 0.000 0.470 134 Y N -1.199 119.012 120.300 -0.149 0.000 2.458 134 Y HA 0.335 4.886 4.550 0.000 0.000 0.254 134 Y C 1.686 177.317 175.900 -0.448 0.000 1.120 134 Y CA 0.434 58.354 58.100 -0.300 0.000 1.282 134 Y CB 0.956 39.208 38.460 -0.346 0.000 1.109 134 Y HN 0.065 nan 8.280 nan 0.000 0.526 135 G N -0.260 108.422 108.800 -0.197 0.000 2.141 135 G HA2 -0.241 3.719 3.960 0.000 0.000 0.195 135 G HA3 -0.241 3.719 3.960 0.000 0.000 0.195 135 G C -0.287 174.539 174.900 -0.124 0.000 1.012 135 G CA -0.651 44.353 45.100 -0.160 0.000 0.696 135 G HN 0.083 nan 8.290 nan 0.000 0.508 136 F N 0.502 120.513 119.950 0.102 0.000 2.380 136 F HA 0.482 5.010 4.527 0.000 0.000 0.325 136 F C 1.284 177.209 175.800 0.209 0.000 1.136 136 F CA -0.620 57.486 58.000 0.176 0.000 1.171 136 F CB 0.789 39.963 39.000 0.290 0.000 1.230 136 F HN -0.012 nan 8.300 nan 0.000 0.554 137 D N 0.328 121.015 120.400 0.478 0.000 2.398 137 D HA 0.294 4.935 4.640 0.000 0.000 0.210 137 D C 0.642 177.202 176.300 0.434 0.000 1.094 137 D CA 0.419 54.687 54.000 0.446 0.000 0.839 137 D CB 0.807 41.786 40.800 0.298 0.000 0.963 137 D HN 0.633 nan 8.370 nan 0.000 0.506 138 G N -0.397 108.599 108.800 0.327 0.000 2.349 138 G HA2 0.369 4.330 3.960 0.000 0.000 0.294 138 G HA3 0.369 4.330 3.960 0.000 0.000 0.294 138 G C -1.844 173.039 174.900 -0.027 0.000 1.380 138 G CA -0.556 44.654 45.100 0.183 0.000 0.811 138 G HN -0.070 nan 8.290 nan 0.000 0.519 139 V N 0.422 120.236 119.914 -0.166 0.000 2.540 139 V HA 0.641 4.761 4.120 0.000 0.000 0.302 139 V C -1.050 174.862 176.094 -0.305 0.000 1.035 139 V CA -0.510 61.496 62.300 -0.490 0.000 0.873 139 V CB 1.824 33.426 31.823 -0.368 0.000 0.992 139 V HN 0.863 nan 8.190 nan 0.000 0.428 140 D N 3.700 123.881 120.400 -0.365 0.000 2.502 140 D HA 0.522 5.163 4.640 0.000 0.000 0.249 140 D C -0.924 175.380 176.300 0.006 0.000 1.092 140 D CA -0.404 53.537 54.000 -0.098 0.000 0.839 140 D CB 1.228 42.010 40.800 -0.030 0.000 1.264 140 D HN 0.267 nan 8.370 nan 0.000 0.511 141 I N 3.325 123.968 120.570 0.122 0.000 2.321 141 I HA 0.228 4.399 4.170 0.000 0.000 0.291 141 I C -0.179 176.090 176.117 0.253 0.000 0.998 141 I CA -0.500 60.946 61.300 0.243 0.000 1.227 141 I CB 1.338 39.551 38.000 0.356 0.000 1.368 141 I HN 0.492 nan 8.210 nan 0.000 0.466 142 D N 7.116 127.648 120.400 0.219 0.000 2.683 142 D HA 0.080 4.721 4.640 0.000 0.000 0.309 142 D C -0.863 175.387 176.300 -0.082 0.000 1.238 142 D CA -0.316 53.725 54.000 0.069 0.000 0.936 142 D CB 0.285 41.136 40.800 0.085 0.000 1.001 142 D HN 0.340 nan 8.370 nan 0.000 0.505 143 W N 2.728 123.857 121.300 -0.285 0.000 2.331 143 W HA 0.391 5.051 4.660 0.000 0.000 0.306 143 W C -0.848 175.234 176.519 -0.728 0.000 1.162 143 W CA -1.117 55.913 57.345 -0.525 0.000 1.232 143 W CB 0.515 29.762 29.460 -0.355 0.000 1.235 143 W HN 0.173 nan 8.180 nan 0.000 0.479 144 E N 7.038 126.938 120.200 -0.499 0.000 2.376 144 E HA 0.266 4.617 4.350 0.000 0.000 0.236 144 E C -1.574 174.621 176.600 -0.675 0.000 0.962 144 E CA -0.476 55.059 56.400 -1.442 0.000 0.768 144 E CB 0.915 29.702 29.700 -1.522 0.000 1.236 144 E HN 0.267 nan 8.360 nan 0.000 0.431 145 Y N 0.483 120.670 120.300 -0.188 0.000 2.581 145 Y HA 0.290 4.840 4.550 0.000 0.000 0.337 145 Y C -2.442 172.990 175.900 -0.779 0.000 1.108 145 Y CA -2.799 55.002 58.100 -0.499 0.000 1.033 145 Y CB 1.342 39.684 38.460 -0.197 0.000 1.318 145 Y HN 0.255 nan 8.280 nan 0.000 0.459 146 P HA 0.029 nan 4.420 nan 0.000 0.268 146 P C -1.013 176.027 177.300 -0.433 0.000 1.208 146 P CA 0.184 62.412 63.100 -1.452 0.000 0.777 146 P CB 1.545 32.021 31.700 -2.039 0.000 0.875 147 Q N 0.494 120.179 119.800 -0.193 0.000 2.626 147 Q HA 0.502 4.842 4.340 0.000 0.000 0.300 147 Q C 0.307 176.309 176.000 0.003 0.000 0.988 147 Q CA -0.461 55.327 55.803 -0.026 0.000 0.761 147 Q CB 1.979 30.747 28.738 0.049 0.000 1.494 147 Q HN 0.465 nan 8.270 nan 0.000 0.439 148 A N 0.722 123.552 122.820 0.016 0.000 5.326 148 A HA -0.399 3.921 4.320 0.000 0.000 0.379 148 A C 1.466 179.065 177.584 0.026 0.000 1.574 148 A CA 2.853 54.902 52.037 0.020 0.000 0.834 148 A CB -2.101 16.916 19.000 0.030 0.000 1.524 148 A HN 1.362 nan 8.150 nan 0.000 0.448 149 A N -1.504 121.338 122.820 0.037 0.000 2.125 149 A HA -0.033 4.287 4.320 0.000 0.000 0.219 149 A C 1.747 179.365 177.584 0.056 0.000 1.156 149 A CA 2.108 54.171 52.037 0.042 0.000 0.671 149 A CB -0.751 18.274 19.000 0.042 0.000 0.794 149 A HN 0.765 nan 8.150 nan 0.000 0.459 150 E N -0.338 119.898 120.200 0.060 0.000 2.106 150 E HA -0.105 4.246 4.350 0.000 0.000 0.192 150 E C 1.917 178.550 176.600 0.055 0.000 0.984 150 E CA 1.110 57.560 56.400 0.084 0.000 0.806 150 E CB -0.299 29.453 29.700 0.087 0.000 0.750 150 E HN 0.430 nan 8.360 nan 0.000 0.458 151 V N 2.285 122.205 119.914 0.010 0.000 2.250 151 V HA -0.336 3.784 4.120 0.000 0.000 0.250 151 V C 1.734 177.906 176.094 0.131 0.000 1.060 151 V CA 2.203 64.538 62.300 0.059 0.000 1.030 151 V CB -0.599 31.259 31.823 0.058 0.000 0.643 151 V HN 0.242 nan 8.190 nan 0.000 0.445 152 D N 0.620 121.073 120.400 0.088 0.000 2.123 152 D HA -0.120 4.521 4.640 0.000 0.000 0.196 152 D C 2.210 178.564 176.300 0.090 0.000 0.992 152 D CA 1.717 55.762 54.000 0.075 0.000 0.833 152 D CB -0.695 40.136 40.800 0.052 0.000 0.954 152 D HN 0.505 nan 8.370 nan 0.000 0.455 153 G N 0.376 109.246 108.800 0.117 0.000 2.433 153 G HA2 -0.293 3.667 3.960 0.000 0.000 0.216 153 G HA3 -0.293 3.667 3.960 0.000 0.000 0.216 153 G C 1.489 176.496 174.900 0.178 0.000 1.186 153 G CA 0.455 45.634 45.100 0.130 0.000 0.779 153 G HN 0.222 nan 8.290 nan 0.000 0.543 154 F N 1.603 121.585 119.950 0.053 0.000 2.091 154 F HA -0.118 4.409 4.527 0.000 0.000 0.299 154 F C 2.467 178.284 175.800 0.028 0.000 1.103 154 F CA 1.334 59.364 58.000 0.050 0.000 1.228 154 F CB -0.291 38.648 39.000 -0.101 0.000 0.984 154 F HN 0.129 nan 8.300 nan 0.000 0.477 155 I N -0.065 120.492 120.570 -0.021 0.000 2.179 155 I HA -0.297 3.874 4.170 0.000 0.000 0.242 155 I C 2.688 178.748 176.117 -0.094 0.000 1.088 155 I CA 1.256 62.481 61.300 -0.124 0.000 1.357 155 I CB -0.974 37.015 38.000 -0.020 0.000 1.051 155 I HN 0.216 nan 8.210 nan 0.000 0.409 156 A N 0.724 123.533 122.820 -0.019 0.000 1.933 156 A HA -0.172 4.148 4.320 0.000 0.000 0.218 156 A C 2.538 180.121 177.584 -0.002 0.000 1.175 156 A CA 1.855 53.890 52.037 -0.003 0.000 0.628 156 A CB -0.833 18.181 19.000 0.024 0.000 0.814 156 A HN 0.440 nan 8.150 nan 0.000 0.444 157 A N -0.116 122.712 122.820 0.013 0.000 1.883 157 A HA -0.088 4.233 4.320 0.000 0.000 0.217 157 A C 2.175 179.760 177.584 0.000 0.000 1.186 157 A CA 1.572 53.648 52.037 0.063 0.000 0.624 157 A CB -0.678 18.405 19.000 0.138 0.000 0.822 157 A HN 0.478 nan 8.150 nan 0.000 0.444 158 L N -0.791 120.347 121.223 -0.141 0.000 2.042 158 L HA -0.285 4.055 4.340 0.000 0.000 0.210 158 L C 2.937 179.750 176.870 -0.094 0.000 1.076 158 L CA 1.759 56.496 54.840 -0.173 0.000 0.749 158 L CB -0.638 41.215 42.059 -0.344 0.000 0.893 158 L HN 0.515 nan 8.230 nan 0.000 0.432 159 Q N -0.483 119.271 119.800 -0.077 0.000 2.079 159 Q HA -0.255 4.085 4.340 0.000 0.000 0.200 159 Q C 2.080 178.065 176.000 -0.024 0.000 0.974 159 Q CA 1.589 57.365 55.803 -0.045 0.000 0.840 159 Q CB -0.119 28.599 28.738 -0.033 0.000 0.898 159 Q HN 0.357 nan 8.270 nan 0.000 0.430 160 E N 1.412 121.605 120.200 -0.011 0.000 2.031 160 E HA -0.177 4.173 4.350 0.000 0.000 0.193 160 E C 1.750 178.345 176.600 -0.008 0.000 0.994 160 E CA 1.275 57.676 56.400 0.002 0.000 0.800 160 E CB -0.302 29.413 29.700 0.025 0.000 0.752 160 E HN 0.324 nan 8.360 nan 0.000 0.447 161 I N 0.369 120.931 120.570 -0.013 0.000 2.194 161 I HA -0.340 3.830 4.170 0.000 0.000 0.246 161 I C 2.594 178.696 176.117 -0.024 0.000 1.093 161 I CA 1.483 62.762 61.300 -0.035 0.000 1.355 161 I CB -0.393 37.579 38.000 -0.045 0.000 1.046 161 I HN 0.131 nan 8.210 nan 0.000 0.413 162 R N 1.542 122.028 120.500 -0.022 0.000 2.082 162 R HA -0.207 4.133 4.340 0.000 0.000 0.234 162 R C 2.389 178.690 176.300 0.002 0.000 1.136 162 R CA 2.848 58.941 56.100 -0.012 0.000 0.935 162 R CB -1.469 28.817 30.300 -0.023 0.000 0.842 162 R HN 0.521 nan 8.270 nan 0.000 0.430 163 T N -0.773 113.780 114.554 -0.002 0.000 2.759 163 T HA -0.130 4.220 4.350 0.000 0.000 0.269 163 T C 2.080 176.787 174.700 0.012 0.000 1.042 163 T CA 1.674 63.777 62.100 0.005 0.000 1.140 163 T CB -0.469 68.400 68.868 0.002 0.000 0.864 163 T HN 0.249 nan 8.240 nan 0.000 0.455 164 L N 0.125 121.351 121.223 0.005 0.000 2.056 164 L HA 0.052 4.392 4.340 0.000 0.000 0.207 164 L C 2.910 179.794 176.870 0.023 0.000 1.078 164 L CA 1.172 56.015 54.840 0.004 0.000 0.749 164 L CB -0.627 41.422 42.059 -0.017 0.000 0.901 164 L HN 0.273 nan 8.230 nan 0.000 0.433 165 L N -0.261 120.981 121.223 0.031 0.000 2.017 165 L HA -0.234 4.106 4.340 0.000 0.000 0.208 165 L C 2.359 179.316 176.870 0.145 0.000 1.073 165 L CA 1.247 56.139 54.840 0.087 0.000 0.745 165 L CB -0.644 41.468 42.059 0.090 0.000 0.894 165 L HN 0.331 nan 8.230 nan 0.000 0.432 166 N N -0.326 118.426 118.700 0.086 0.000 2.149 166 N HA -0.242 4.498 4.740 0.000 0.000 0.188 166 N C 1.809 177.362 175.510 0.072 0.000 1.019 166 N CA 1.077 54.170 53.050 0.071 0.000 0.857 166 N CB -0.261 38.247 38.487 0.034 0.000 0.997 166 N HN 0.259 nan 8.380 nan 0.000 0.426 167 Q N 0.734 120.571 119.800 0.061 0.000 2.079 167 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 167 Q C 1.908 177.957 176.000 0.082 0.000 0.974 167 Q CA 1.439 57.274 55.803 0.053 0.000 0.840 167 Q CB -0.382 28.377 28.738 0.034 0.000 0.898 167 Q HN 0.247 nan 8.270 nan 0.000 0.430 168 Q N -0.670 119.200 119.800 0.117 0.000 2.124 168 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 168 Q C 1.868 178.044 176.000 0.294 0.000 0.977 168 Q CA 2.213 58.121 55.803 0.175 0.000 0.850 168 Q CB -0.608 28.202 28.738 0.119 0.000 0.901 168 Q HN 0.470 nan 8.270 nan 0.000 0.429 169 T N 0.984 115.711 114.554 0.289 0.000 2.652 169 T HA -0.148 4.202 4.350 0.000 0.000 0.267 169 T C 1.589 176.311 174.700 0.037 0.000 1.039 169 T CA 1.445 63.599 62.100 0.090 0.000 1.153 169 T CB -0.223 68.648 68.868 0.005 0.000 0.863 169 T HN 0.200 nan 8.240 nan 0.000 0.428 170 I N 1.688 122.286 120.570 0.046 0.000 2.099 170 I HA -0.173 3.997 4.170 0.000 0.000 0.239 170 I C 2.690 178.827 176.117 0.033 0.000 1.066 170 I CA 1.692 63.007 61.300 0.025 0.000 1.324 170 I CB -1.968 36.046 38.000 0.024 0.000 1.037 170 I HN 0.279 nan 8.210 nan 0.000 0.401 171 T N 0.892 115.479 114.554 0.055 0.000 2.699 171 T HA -0.186 4.164 4.350 0.000 0.000 0.268 171 T C 1.248 175.983 174.700 0.059 0.000 1.036 171 T CA 1.719 63.851 62.100 0.053 0.000 1.147 171 T CB -0.276 68.628 68.868 0.060 0.000 0.862 171 T HN 0.275 nan 8.240 nan 0.000 0.446 172 D N 0.135 120.590 120.400 0.092 0.000 2.340 172 D HA 0.254 4.894 4.640 0.000 0.000 0.220 172 D C 1.409 177.722 176.300 0.022 0.000 1.039 172 D CA 0.393 54.445 54.000 0.087 0.000 0.866 172 D CB -0.431 40.490 40.800 0.201 0.000 0.913 172 D HN 0.442 nan 8.370 nan 0.000 0.523 173 G N 1.699 110.500 108.800 0.002 0.000 2.305 173 G HA2 -0.344 3.616 3.960 0.000 0.000 0.287 173 G HA3 -0.344 3.616 3.960 0.000 0.000 0.287 173 G C 0.839 175.702 174.900 -0.062 0.000 1.036 173 G CA -0.130 44.955 45.100 -0.024 0.000 0.887 173 G HN 0.201 nan 8.290 nan 0.000 0.505 174 R N -0.671 119.759 120.500 -0.117 0.000 2.555 174 R HA 0.146 4.486 4.340 0.000 0.000 0.272 174 R C 2.025 178.218 176.300 -0.178 0.000 1.089 174 R CA 0.171 56.145 56.100 -0.209 0.000 1.126 174 R CB 0.126 30.134 30.300 -0.486 0.000 1.250 174 R HN 0.571 nan 8.270 nan 0.000 0.551 175 Q N 0.247 119.984 119.800 -0.105 0.000 2.197 175 Q HA -0.120 4.220 4.340 0.000 0.000 0.207 175 Q C 1.941 177.896 176.000 -0.074 0.000 0.984 175 Q CA 2.132 57.888 55.803 -0.078 0.000 0.869 175 Q CB -0.190 28.519 28.738 -0.048 0.000 0.906 175 Q HN 0.338 nan 8.270 nan 0.000 0.426 176 A N -0.759 122.017 122.820 -0.073 0.000 2.066 176 A HA 0.062 4.382 4.320 0.000 0.000 0.218 176 A C 0.786 178.329 177.584 -0.068 0.000 1.157 176 A CA 0.581 52.583 52.037 -0.058 0.000 0.670 176 A CB 0.250 19.222 19.000 -0.048 0.000 0.804 176 A HN 0.279 nan 8.150 nan 0.000 0.453 177 L N 0.087 121.247 121.223 -0.105 0.000 2.448 177 L HA 0.395 4.735 4.340 0.000 0.000 0.257 177 L C -2.944 173.813 176.870 -0.189 0.000 1.504 177 L CA -1.907 52.867 54.840 -0.111 0.000 0.852 177 L CB 1.449 43.451 42.059 -0.096 0.000 1.051 177 L HN -0.145 nan 8.230 nan 0.000 0.518 178 P HA 0.002 nan 4.420 nan 0.000 0.265 178 P C -0.993 176.229 177.300 -0.130 0.000 1.187 178 P CA 0.348 63.340 63.100 -0.181 0.000 0.766 178 P CB 0.135 31.793 31.700 -0.071 0.000 0.820 179 Y N 1.234 121.557 120.300 0.039 0.000 2.497 179 Y HA 0.133 4.683 4.550 0.000 0.000 0.334 179 Y C 1.358 177.286 175.900 0.048 0.000 1.199 179 Y CA 0.734 58.868 58.100 0.057 0.000 1.425 179 Y CB 0.134 38.629 38.460 0.058 0.000 1.291 179 Y HN 0.340 nan 8.280 nan 0.000 0.562 180 Q N 1.845 121.783 119.800 0.230 0.000 2.399 180 Q HA 0.637 4.977 4.340 0.000 0.000 0.276 180 Q C -1.705 174.346 176.000 0.085 0.000 1.098 180 Q CA -1.375 54.510 55.803 0.137 0.000 0.827 180 Q CB 2.933 31.774 28.738 0.171 0.000 1.386 180 Q HN 0.516 nan 8.270 nan 0.000 0.443 181 L N 0.943 122.187 121.223 0.036 0.000 2.381 181 L HA 0.672 5.013 4.340 0.000 0.000 0.274 181 L C -0.979 175.894 176.870 0.005 0.000 0.988 181 L CA 0.137 54.976 54.840 -0.003 0.000 0.824 181 L CB 2.018 44.065 42.059 -0.020 0.000 1.263 181 L HN 0.846 nan 8.230 nan 0.000 0.410 182 T N 2.654 117.215 114.554 0.012 0.000 2.812 182 T HA 0.824 5.174 4.350 0.000 0.000 0.294 182 T C -0.486 174.258 174.700 0.074 0.000 1.159 182 T CA -0.510 61.622 62.100 0.054 0.000 1.008 182 T CB 1.506 70.423 68.868 0.082 0.000 1.289 182 T HN 0.951 nan 8.240 nan 0.000 0.514 183 I N -2.072 118.571 120.570 0.123 0.000 2.913 183 I HA 0.858 5.028 4.170 0.000 0.000 0.302 183 I C -1.138 175.093 176.117 0.190 0.000 1.246 183 I CA -1.727 59.675 61.300 0.170 0.000 1.010 183 I CB 1.818 39.936 38.000 0.196 0.000 1.259 183 I HN 0.987 nan 8.210 nan 0.000 0.434 184 A N 3.360 126.296 122.820 0.194 0.000 2.260 184 A HA 0.815 5.135 4.320 0.000 0.000 0.308 184 A C 0.155 177.833 177.584 0.157 0.000 1.254 184 A CA -0.018 52.118 52.037 0.164 0.000 0.874 184 A CB 0.374 19.430 19.000 0.092 0.000 1.153 184 A HN 1.121 nan 8.150 nan 0.000 0.527 185 G N 0.714 109.625 108.800 0.185 0.000 2.441 185 G HA2 0.628 4.588 3.960 0.000 0.000 0.334 185 G HA3 0.628 4.588 3.960 0.000 0.000 0.334 185 G C 0.221 175.301 174.900 0.301 0.000 1.161 185 G CA -0.065 45.212 45.100 0.295 0.000 0.935 185 G HN 1.379 nan 8.290 nan 0.000 0.488 186 A N -0.496 122.548 122.820 0.373 0.000 2.498 186 A HA 0.505 4.825 4.320 0.000 0.000 0.239 186 A C 1.377 179.003 177.584 0.070 0.000 1.068 186 A CA 0.575 52.661 52.037 0.081 0.000 0.766 186 A CB 0.441 19.257 19.000 -0.307 0.000 1.003 186 A HN 1.440 nan 8.150 nan 0.000 0.497 187 G N 1.190 109.983 108.800 -0.012 0.000 3.277 187 G HA2 0.460 4.420 3.960 0.000 0.000 0.243 187 G HA3 0.460 4.420 3.960 0.000 0.000 0.243 187 G C 0.458 175.343 174.900 -0.025 0.000 1.107 187 G CA 0.612 45.685 45.100 -0.044 0.000 0.771 187 G HN 1.222 nan 8.290 nan 0.000 0.544 188 G N -1.264 107.526 108.800 -0.015 0.000 2.591 188 G HA2 0.534 4.495 3.960 0.000 0.000 0.306 188 G HA3 0.534 4.495 3.960 0.000 0.000 0.306 188 G C 0.824 175.650 174.900 -0.122 0.000 1.334 188 G CA 0.310 45.398 45.100 -0.020 0.000 0.981 188 G HN 0.276 nan 8.290 nan 0.000 0.491 189 A N 1.359 124.049 122.820 -0.217 0.000 1.948 189 A HA -0.024 4.297 4.320 0.000 0.000 0.220 189 A C 1.937 179.215 177.584 -0.510 0.000 1.177 189 A CA 1.784 53.539 52.037 -0.470 0.000 0.636 189 A CB -0.586 18.080 19.000 -0.557 0.000 0.815 189 A HN 0.613 nan 8.150 nan 0.000 0.449 190 F N -1.383 118.415 119.950 -0.253 0.000 2.026 190 F HA -0.129 4.398 4.527 0.000 0.000 0.296 190 F C 2.102 177.666 175.800 -0.393 0.000 1.133 190 F CA 1.704 59.508 58.000 -0.327 0.000 1.188 190 F CB -1.000 37.775 39.000 -0.376 0.000 0.968 190 F HN 0.210 nan 8.300 nan 0.000 0.476 191 F N -0.636 119.240 119.950 -0.123 0.000 2.259 191 F HA -0.097 4.430 4.527 0.000 0.000 0.298 191 F C 2.160 177.627 175.800 -0.556 0.000 1.088 191 F CA 0.553 58.324 58.000 -0.381 0.000 1.358 191 F CB -0.909 37.692 39.000 -0.666 0.000 1.040 191 F HN -0.089 nan 8.300 nan 0.000 0.505 192 L N 0.224 121.228 121.223 -0.365 0.000 2.141 192 L HA -0.157 4.183 4.340 0.000 0.000 0.209 192 L C 2.576 179.041 176.870 -0.676 0.000 1.094 192 L CA 1.917 56.391 54.840 -0.611 0.000 0.763 192 L CB -1.189 40.588 42.059 -0.471 0.000 0.908 192 L HN 0.179 nan 8.230 nan 0.000 0.437 193 S N -0.871 114.523 115.700 -0.511 0.000 2.440 193 S HA -0.244 4.227 4.470 0.000 0.000 0.238 193 S C 2.064 176.477 174.600 -0.312 0.000 1.010 193 S CA 0.964 58.901 58.200 -0.439 0.000 0.972 193 S CB -0.648 62.315 63.200 -0.394 0.000 0.774 193 S HN 0.554 nan 8.310 nan 0.000 0.501 194 R N 0.455 120.787 120.500 -0.279 0.000 2.091 194 R HA -0.119 4.221 4.340 0.000 0.000 0.238 194 R C 1.894 178.154 176.300 -0.068 0.000 1.136 194 R CA 2.009 58.037 56.100 -0.121 0.000 0.959 194 R CB -0.453 29.856 30.300 0.016 0.000 0.856 194 R HN 0.909 nan 8.270 nan 0.000 0.437 195 Y N -4.781 115.466 120.300 -0.089 0.000 2.527 195 Y HA 0.224 4.775 4.550 0.000 0.000 0.247 195 Y C 1.446 177.316 175.900 -0.050 0.000 1.138 195 Y CA -1.212 56.842 58.100 -0.076 0.000 1.228 195 Y CB -0.667 37.734 38.460 -0.098 0.000 1.252 195 Y HN -0.112 nan 8.280 nan 0.000 0.531 196 Y N 2.890 122.887 120.300 -0.504 0.000 2.102 196 Y HA -0.353 4.197 4.550 0.000 0.000 0.280 196 Y C 2.735 178.504 175.900 -0.217 0.000 1.178 196 Y CA 2.602 60.452 58.100 -0.416 0.000 1.146 196 Y CB -0.659 37.499 38.460 -0.504 0.000 0.968 196 Y HN 0.361 nan 8.280 nan 0.000 0.504 197 S N -0.709 114.852 115.700 -0.233 0.000 2.440 197 S HA -0.214 4.256 4.470 0.000 0.000 0.240 197 S C 1.362 175.844 174.600 -0.196 0.000 1.014 197 S CA 1.635 59.671 58.200 -0.273 0.000 0.980 197 S CB -0.440 62.649 63.200 -0.184 0.000 0.775 197 S HN 0.557 nan 8.310 nan 0.000 0.499 198 K N 0.324 120.662 120.400 -0.103 0.000 2.726 198 K HA 0.449 4.769 4.320 0.000 0.000 0.209 198 K C 0.907 177.511 176.600 0.006 0.000 1.082 198 K CA -0.206 56.063 56.287 -0.030 0.000 1.081 198 K CB 0.177 32.693 32.500 0.027 0.000 0.830 198 K HN 0.233 nan 8.250 nan 0.000 0.470 199 L N 0.644 121.826 121.223 -0.070 0.000 1.990 199 L HA -0.294 4.046 4.340 0.000 0.000 0.213 199 L C 2.396 179.280 176.870 0.023 0.000 1.072 199 L CA 1.834 56.673 54.840 -0.001 0.000 0.755 199 L CB -0.429 41.541 42.059 -0.147 0.000 0.889 199 L HN 0.409 nan 8.230 nan 0.000 0.432 200 A N -0.695 122.116 122.820 -0.015 0.000 1.873 200 A HA -0.330 3.990 4.320 0.000 0.000 0.218 200 A C 2.108 179.698 177.584 0.009 0.000 1.193 200 A CA 2.117 54.157 52.037 0.005 0.000 0.629 200 A CB -0.721 18.278 19.000 -0.002 0.000 0.826 200 A HN 0.533 nan 8.150 nan 0.000 0.447 201 Q N -0.828 118.975 119.800 0.005 0.000 2.096 201 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 201 Q C 2.076 178.070 176.000 -0.010 0.000 0.982 201 Q CA 1.641 57.444 55.803 -0.000 0.000 0.850 201 Q CB -0.312 28.429 28.738 0.005 0.000 0.901 201 Q HN 0.773 nan 8.270 nan 0.000 0.422 202 I N -0.426 120.151 120.570 0.012 0.000 2.202 202 I HA -0.232 3.938 4.170 0.000 0.000 0.242 202 I C 1.950 178.060 176.117 -0.012 0.000 1.091 202 I CA 0.868 62.166 61.300 -0.004 0.000 1.368 202 I CB -0.030 38.022 38.000 0.086 0.000 1.058 202 I HN 0.043 nan 8.210 nan 0.000 0.410 203 V N 0.820 120.754 119.914 0.033 0.000 3.041 203 V HA -0.104 4.017 4.120 0.000 0.000 0.260 203 V C 2.578 178.672 176.094 0.001 0.000 1.105 203 V CA 1.173 63.495 62.300 0.037 0.000 1.125 203 V CB -0.775 31.096 31.823 0.079 0.000 0.730 203 V HN 0.426 nan 8.190 nan 0.000 0.479 204 A N 1.797 124.612 122.820 -0.009 0.000 1.884 204 A HA -0.166 4.154 4.320 0.000 0.000 0.219 204 A C 0.737 178.301 177.584 -0.034 0.000 1.197 204 A CA 2.388 54.414 52.037 -0.019 0.000 0.637 204 A CB -1.802 17.188 19.000 -0.018 0.000 0.827 204 A HN 0.599 nan 8.150 nan 0.000 0.450 205 P HA 0.209 nan 4.420 nan 0.000 0.253 205 P C -0.126 177.140 177.300 -0.057 0.000 1.260 205 P CA 0.255 63.324 63.100 -0.052 0.000 0.800 205 P CB -0.068 31.594 31.700 -0.064 0.000 1.162 206 L N -0.089 121.101 121.223 -0.055 0.000 2.360 206 L HA 0.338 4.678 4.340 0.000 0.000 0.271 206 L C 1.363 178.165 176.870 -0.114 0.000 1.057 206 L CA -0.655 54.150 54.840 -0.058 0.000 0.803 206 L CB 0.927 42.974 42.059 -0.021 0.000 1.207 206 L HN -0.284 nan 8.230 nan 0.000 0.445 207 D N 0.105 120.405 120.400 -0.167 0.000 2.271 207 D HA 0.044 4.684 4.640 0.000 0.000 0.206 207 D C -0.691 175.164 176.300 -0.742 0.000 0.967 207 D CA 1.418 55.159 54.000 -0.432 0.000 0.867 207 D CB 0.510 41.080 40.800 -0.383 0.000 0.960 207 D HN 0.284 nan 8.370 nan 0.000 0.509 208 Y N -0.832 119.459 120.300 -0.014 0.000 2.604 208 Y HA 0.366 4.916 4.550 0.000 0.000 0.331 208 Y C -0.863 175.040 175.900 0.006 0.000 1.158 208 Y CA -0.943 57.147 58.100 -0.017 0.000 1.056 208 Y CB 1.761 40.179 38.460 -0.069 0.000 1.330 208 Y HN -0.303 nan 8.280 nan 0.000 0.457 209 I N 3.280 123.970 120.570 0.200 0.000 2.382 209 I HA 0.455 4.626 4.170 0.000 0.000 0.286 209 I C -1.262 174.931 176.117 0.126 0.000 1.002 209 I CA -0.669 60.724 61.300 0.155 0.000 1.135 209 I CB 0.650 38.746 38.000 0.160 0.000 1.288 209 I HN 0.601 nan 8.210 nan 0.000 0.448 210 N N 8.931 127.711 118.700 0.134 0.000 2.415 210 N HA 0.291 5.031 4.740 0.000 0.000 0.246 210 N C -0.670 174.891 175.510 0.084 0.000 1.078 210 N CA -0.191 52.930 53.050 0.118 0.000 0.942 210 N CB 1.392 40.004 38.487 0.209 0.000 1.140 210 N HN 0.576 nan 8.380 nan 0.000 0.501 211 L N 2.377 123.607 121.223 0.012 0.000 2.361 211 L HA 0.217 4.558 4.340 0.000 0.000 0.278 211 L C 1.218 178.019 176.870 -0.114 0.000 1.113 211 L CA 0.030 54.836 54.840 -0.056 0.000 0.849 211 L CB 0.328 42.298 42.059 -0.149 0.000 1.155 211 L HN 0.354 nan 8.230 nan 0.000 0.452 212 M N 3.296 122.779 119.600 -0.195 0.000 3.706 212 M HA 0.035 4.516 4.480 0.000 0.000 0.204 212 M C 0.481 176.299 176.300 -0.805 0.000 1.455 212 M CA -0.136 54.796 55.300 -0.612 0.000 1.659 212 M CB -0.585 31.770 32.600 -0.408 0.000 1.076 212 M HN 0.556 nan 8.290 nan 0.000 0.577 213 T N 0.042 114.289 114.554 -0.512 0.000 4.578 213 T HA 0.229 4.580 4.350 0.000 0.000 0.236 213 T C -0.570 174.053 174.700 -0.128 0.000 1.038 213 T CA -0.166 61.780 62.100 -0.256 0.000 1.067 213 T CB -1.173 67.637 68.868 -0.096 0.000 1.390 213 T HN 0.499 nan 8.240 nan 0.000 1.076 214 Y N -2.802 117.564 120.300 0.110 0.000 2.779 214 Y HA 0.514 5.064 4.550 0.000 0.000 0.340 214 Y C -0.355 175.656 175.900 0.185 0.000 1.252 214 Y CA -1.987 56.194 58.100 0.134 0.000 1.072 214 Y CB 0.023 38.565 38.460 0.137 0.000 1.343 214 Y HN 0.164 nan 8.280 nan 0.000 0.450 215 D N 0.194 120.905 120.400 0.518 0.000 2.981 215 D HA -0.155 4.485 4.640 0.000 0.000 0.223 215 D C 0.266 176.814 176.300 0.413 0.000 1.151 215 D CA 1.162 55.476 54.000 0.523 0.000 0.827 215 D CB -1.065 40.036 40.800 0.503 0.000 1.101 215 D HN 0.749 nan 8.370 nan 0.000 0.426 216 L N -1.231 120.151 121.223 0.265 0.000 2.591 216 L HA 0.362 4.702 4.340 0.000 0.000 0.228 216 L C 1.073 178.019 176.870 0.127 0.000 1.133 216 L CA 0.594 55.520 54.840 0.143 0.000 0.880 216 L CB 0.080 42.178 42.059 0.065 0.000 1.033 216 L HN 0.213 nan 8.230 nan 0.000 0.450 217 A N -0.664 122.259 122.820 0.171 0.000 2.594 217 A HA 0.850 5.170 4.320 0.000 0.000 0.295 217 A C -0.463 177.023 177.584 -0.164 0.000 1.071 217 A CA 0.029 52.113 52.037 0.079 0.000 0.685 217 A CB 1.672 20.765 19.000 0.154 0.000 1.285 217 A HN 0.073 nan 8.150 nan 0.000 0.405 218 G N -0.092 108.440 108.800 -0.446 0.000 2.338 218 G HA2 0.525 4.485 3.960 0.000 0.000 0.295 218 G HA3 0.525 4.485 3.960 0.000 0.000 0.295 218 G C -2.688 171.558 174.900 -1.089 0.000 1.461 218 G CA 0.107 44.485 45.100 -1.203 0.000 0.817 218 G HN 0.489 nan 8.290 nan 0.000 0.556 219 P HA -0.086 nan 4.420 nan 0.000 0.222 219 P C 1.188 178.490 177.300 0.004 0.000 1.142 219 P CA 1.595 64.395 63.100 -0.498 0.000 0.788 219 P CB -0.096 31.411 31.700 -0.322 0.000 0.767 220 W N -0.378 120.982 121.300 0.101 0.000 3.180 220 W HA 0.334 4.995 4.660 0.000 0.000 0.254 220 W C 0.062 176.669 176.519 0.147 0.000 1.318 220 W CA -0.368 57.042 57.345 0.108 0.000 1.608 220 W CB -0.620 28.866 29.460 0.044 0.000 1.124 220 W HN -0.236 nan 8.180 nan 0.000 0.694 221 E N 0.645 120.852 120.200 0.012 0.000 2.227 221 E HA 0.278 4.628 4.350 0.000 0.000 0.268 221 E C 1.091 177.849 176.600 0.263 0.000 0.907 221 E CA -0.038 56.447 56.400 0.141 0.000 0.786 221 E CB 1.713 31.471 29.700 0.098 0.000 1.191 221 E HN 0.055 nan 8.360 nan 0.000 0.411 222 K N 1.064 121.559 120.400 0.159 0.000 2.288 222 K HA 0.066 4.386 4.320 0.000 0.000 0.201 222 K C 0.859 177.528 176.600 0.115 0.000 1.048 222 K CA 0.874 57.210 56.287 0.082 0.000 0.956 222 K CB -0.032 32.464 32.500 -0.007 0.000 0.746 222 K HN 0.221 nan 8.250 nan 0.000 0.461 223 V N 2.219 122.196 119.914 0.106 0.000 2.495 223 V HA 0.311 4.431 4.120 0.000 0.000 0.298 223 V C 0.406 176.452 176.094 -0.080 0.000 1.031 223 V CA -0.690 61.621 62.300 0.019 0.000 0.871 223 V CB 1.437 33.221 31.823 -0.065 0.000 0.988 223 V HN 0.533 nan 8.190 nan 0.000 0.432 224 T N 1.905 116.260 114.554 -0.331 0.000 2.900 224 T HA 0.470 4.820 4.350 0.000 0.000 0.307 224 T C -0.179 174.138 174.700 -0.638 0.000 1.065 224 T CA -0.135 61.404 62.100 -0.936 0.000 1.105 224 T CB 1.038 69.040 68.868 -1.442 0.000 0.979 224 T HN 0.818 nan 8.240 nan 0.000 0.544 225 N N -0.995 117.351 118.700 -0.590 0.000 3.501 225 N HA 0.123 4.863 4.740 0.000 0.000 0.235 225 N C -1.845 173.582 175.510 -0.139 0.000 1.442 225 N CA -0.707 52.202 53.050 -0.234 0.000 0.872 225 N CB 0.646 39.178 38.487 0.074 0.000 1.414 225 N HN 0.728 nan 8.380 nan 0.000 0.485 226 H N 1.155 120.298 119.070 0.122 0.000 2.764 226 H HA 0.104 4.660 4.556 0.000 0.000 0.341 226 H C 0.371 175.768 175.328 0.115 0.000 1.072 226 H CA 0.349 56.458 56.048 0.102 0.000 1.444 226 H CB 1.276 31.052 29.762 0.023 0.000 1.458 226 H HN 0.593 nan 8.280 nan 0.000 0.572 227 Q N 1.735 121.666 119.800 0.217 0.000 2.432 227 Q HA 0.210 4.550 4.340 0.000 0.000 0.205 227 Q C 0.389 176.506 176.000 0.195 0.000 0.945 227 Q CA 0.772 56.700 55.803 0.209 0.000 0.924 227 Q CB 0.751 29.627 28.738 0.230 0.000 1.016 227 Q HN 0.509 nan 8.270 nan 0.000 0.503 228 A N 0.430 123.348 122.820 0.163 0.000 2.897 228 A HA 0.676 4.997 4.320 0.000 0.000 0.230 228 A C -0.046 177.555 177.584 0.029 0.000 0.896 228 A CA -0.229 51.878 52.037 0.116 0.000 1.114 228 A CB 0.145 19.241 19.000 0.160 0.000 1.230 228 A HN 0.370 nan 8.150 nan 0.000 0.481 229 A N 0.042 122.877 122.820 0.025 0.000 2.546 229 A HA 0.385 4.705 4.320 0.000 0.000 0.243 229 A C 1.195 178.691 177.584 -0.147 0.000 1.063 229 A CA 0.273 52.262 52.037 -0.079 0.000 0.757 229 A CB 0.074 19.066 19.000 -0.013 0.000 0.991 229 A HN 1.348 nan 8.150 nan 0.000 0.503 230 L N 2.988 124.060 121.223 -0.252 0.000 2.023 230 L HA 0.265 4.605 4.340 0.000 0.000 0.205 230 L C 0.138 176.628 176.870 -0.634 0.000 1.073 230 L CA 1.735 56.277 54.840 -0.497 0.000 0.745 230 L CB -0.514 41.199 42.059 -0.576 0.000 0.900 230 L HN 0.595 nan 8.230 nan 0.000 0.435 231 F N -1.132 118.764 119.950 -0.090 0.000 2.618 231 F HA 0.653 5.180 4.527 0.000 0.000 0.332 231 F C 0.947 176.730 175.800 -0.029 0.000 1.061 231 F CA -0.807 57.174 58.000 -0.032 0.000 0.974 231 F CB 0.579 39.571 39.000 -0.014 0.000 1.310 231 F HN -0.091 nan 8.300 nan 0.000 0.491 232 G N -0.248 108.692 108.800 0.234 0.000 2.507 232 G HA2 0.408 4.368 3.960 0.000 0.000 0.271 232 G HA3 0.408 4.368 3.960 0.000 0.000 0.271 232 G C -1.691 173.247 174.900 0.063 0.000 1.189 232 G CA -0.180 44.989 45.100 0.115 0.000 0.859 232 G HN 0.513 nan 8.290 nan 0.000 0.542 233 D N 0.273 120.682 120.400 0.015 0.000 2.481 233 D HA 0.467 5.107 4.640 0.000 0.000 0.246 233 D C 1.097 177.342 176.300 -0.092 0.000 1.109 233 D CA -0.135 53.858 54.000 -0.011 0.000 0.845 233 D CB 1.625 42.456 40.800 0.053 0.000 1.160 233 D HN 0.311 nan 8.370 nan 0.000 0.534 234 A N 3.646 126.427 122.820 -0.065 0.000 1.986 234 A HA -0.078 4.242 4.320 0.000 0.000 0.220 234 A C 1.990 179.477 177.584 -0.163 0.000 1.171 234 A CA 2.015 53.999 52.037 -0.089 0.000 0.640 234 A CB -0.508 18.462 19.000 -0.049 0.000 0.811 234 A HN 0.646 nan 8.150 nan 0.000 0.451 235 A N -0.430 122.285 122.820 -0.175 0.000 2.066 235 A HA 0.365 4.686 4.320 0.000 0.000 0.218 235 A C 1.560 178.727 177.584 -0.695 0.000 1.157 235 A CA 1.059 52.952 52.037 -0.241 0.000 0.670 235 A CB -0.999 17.987 19.000 -0.023 0.000 0.804 235 A HN 0.752 nan 8.150 nan 0.000 0.453 236 G N -0.047 108.156 108.800 -0.995 0.000 2.616 236 G HA2 0.453 4.414 3.960 0.000 0.000 0.268 236 G HA3 0.453 4.414 3.960 0.000 0.000 0.268 236 G C -2.166 172.331 174.900 -0.672 0.000 1.213 236 G CA -0.976 43.224 45.100 -1.500 0.000 0.926 236 G HN 0.246 nan 8.290 nan 0.000 0.523 237 P HA 0.277 nan 4.420 nan 0.000 0.275 237 P C -0.153 176.933 177.300 -0.358 0.000 1.266 237 P CA -0.036 62.825 63.100 -0.398 0.000 0.793 237 P CB 1.149 32.602 31.700 -0.413 0.000 1.074 238 T N -3.008 111.271 114.554 -0.459 0.000 2.887 238 T HA 0.760 5.110 4.350 0.000 0.000 0.292 238 T C -0.834 173.522 174.700 -0.573 0.000 1.087 238 T CA -0.530 61.378 62.100 -0.320 0.000 1.009 238 T CB 0.988 69.778 68.868 -0.129 0.000 1.203 238 T HN 0.216 nan 8.240 nan 0.000 0.518 239 F N -0.625 119.259 119.950 -0.110 0.000 2.629 239 F HA 0.570 5.097 4.527 0.000 0.000 0.316 239 F C -0.583 175.362 175.800 0.242 0.000 1.081 239 F CA -1.536 56.520 58.000 0.094 0.000 0.954 239 F CB 1.121 40.217 39.000 0.159 0.000 1.337 239 F HN 0.740 nan 8.300 nan 0.000 0.474 240 Y N 2.042 122.592 120.300 0.415 0.000 2.411 240 Y HA 0.171 4.721 4.550 0.000 0.000 0.333 240 Y C 0.362 176.388 175.900 0.211 0.000 1.186 240 Y CA -0.638 57.625 58.100 0.271 0.000 1.381 240 Y CB 0.375 38.968 38.460 0.221 0.000 1.273 240 Y HN 0.497 nan 8.280 nan 0.000 0.546 241 N N 4.977 123.318 118.700 -0.599 0.000 2.508 241 N HA 0.114 4.855 4.740 0.000 0.000 0.253 241 N C 0.520 175.389 175.510 -1.069 0.000 1.145 241 N CA 0.615 53.246 53.050 -0.699 0.000 0.973 241 N CB 0.693 38.766 38.487 -0.689 0.000 1.305 241 N HN 0.879 nan 8.380 nan 0.000 0.506 242 A N 4.345 126.622 122.820 -0.905 0.000 2.139 242 A HA -0.124 4.196 4.320 0.000 0.000 0.221 242 A C 2.108 179.270 177.584 -0.704 0.000 1.159 242 A CA 0.831 52.475 52.037 -0.656 0.000 0.662 242 A CB -0.285 18.375 19.000 -0.565 0.000 0.796 242 A HN 0.750 nan 8.150 nan 0.000 0.463 243 L N -0.281 120.348 121.223 -0.990 0.000 2.191 243 L HA -0.168 4.172 4.340 0.000 0.000 0.212 243 L C 2.329 178.404 176.870 -1.326 0.000 1.103 243 L CA 1.375 55.412 54.840 -1.339 0.000 0.769 243 L CB -0.455 40.408 42.059 -1.993 0.000 0.908 243 L HN 0.559 nan 8.230 nan 0.000 0.438 244 R N -0.420 119.483 120.500 -0.994 0.000 2.391 244 R HA -0.004 4.337 4.340 0.000 0.000 0.225 244 R C 0.290 176.462 176.300 -0.214 0.000 1.079 244 R CA 0.353 56.203 56.100 -0.417 0.000 1.147 244 R CB -0.103 30.154 30.300 -0.072 0.000 1.103 244 R HN 0.279 nan 8.270 nan 0.000 0.499 245 E N 0.613 120.647 120.200 -0.276 0.000 2.601 245 E HA 0.223 4.573 4.350 0.000 0.000 0.219 245 E C -0.108 176.392 176.600 -0.166 0.000 0.964 245 E CA -0.079 56.248 56.400 -0.122 0.000 1.050 245 E CB 1.331 31.008 29.700 -0.039 0.000 1.068 245 E HN 0.385 nan 8.360 nan 0.000 0.496 246 A N 1.743 124.400 122.820 -0.272 0.000 2.401 246 A HA 0.190 4.510 4.320 0.000 0.000 0.259 246 A C 0.434 177.895 177.584 -0.205 0.000 1.103 246 A CA -0.375 51.519 52.037 -0.240 0.000 0.789 246 A CB -0.032 18.799 19.000 -0.281 0.000 1.035 246 A HN -0.005 nan 8.150 nan 0.000 0.491 247 N N 2.441 121.050 118.700 -0.151 0.000 2.543 247 N HA 0.117 4.857 4.740 0.000 0.000 0.289 247 N C 0.326 175.722 175.510 -0.190 0.000 1.223 247 N CA 0.268 53.242 53.050 -0.126 0.000 1.080 247 N CB -0.522 37.921 38.487 -0.073 0.000 1.450 247 N HN 0.628 nan 8.380 nan 0.000 0.501 248 L N 0.938 121.977 121.223 -0.305 0.000 2.470 248 L HA 0.303 4.644 4.340 0.000 0.000 0.219 248 L C 1.476 178.150 176.870 -0.326 0.000 1.071 248 L CA 0.350 54.860 54.840 -0.550 0.000 0.850 248 L CB -0.078 41.209 42.059 -1.287 0.000 1.040 248 L HN 0.626 nan 8.230 nan 0.000 0.475 249 G N -0.799 107.939 108.800 -0.102 0.000 2.137 249 G HA2 -0.219 3.741 3.960 0.000 0.000 0.237 249 G HA3 -0.219 3.741 3.960 0.000 0.000 0.237 249 G C -0.423 174.690 174.900 0.355 0.000 1.002 249 G CA -0.409 44.760 45.100 0.115 0.000 0.702 249 G HN 0.102 nan 8.290 nan 0.000 0.515 250 W N 1.303 122.643 121.300 0.068 0.000 2.448 250 W HA 0.734 5.395 4.660 0.000 0.000 0.339 250 W C 1.118 177.686 176.519 0.082 0.000 1.124 250 W CA -1.094 56.287 57.345 0.060 0.000 1.262 250 W CB 0.773 30.262 29.460 0.048 0.000 1.251 250 W HN 0.542 nan 8.180 nan 0.000 0.597 251 S N 0.523 116.407 115.700 0.305 0.000 2.606 251 S HA -0.049 4.421 4.470 0.000 0.000 0.257 251 S C 0.756 175.531 174.600 0.291 0.000 1.327 251 S CA -0.251 58.111 58.200 0.269 0.000 0.984 251 S CB 0.705 64.041 63.200 0.227 0.000 0.941 251 S HN 0.602 nan 8.310 nan 0.000 0.576 252 W N 1.183 122.570 121.300 0.145 0.000 2.335 252 W HA -0.096 4.564 4.660 0.000 0.000 0.311 252 W C 2.225 178.813 176.519 0.115 0.000 1.213 252 W CA 1.852 59.277 57.345 0.132 0.000 1.274 252 W CB -0.239 29.287 29.460 0.110 0.000 1.148 252 W HN 0.786 nan 8.180 nan 0.000 0.498 253 E N 0.344 120.783 120.200 0.399 0.000 2.085 253 E HA -0.241 4.109 4.350 0.000 0.000 0.194 253 E C 1.847 178.438 176.600 -0.016 0.000 0.994 253 E CA 1.983 58.513 56.400 0.218 0.000 0.801 253 E CB -0.610 29.229 29.700 0.232 0.000 0.743 253 E HN 0.574 nan 8.360 nan 0.000 0.453 254 E N 0.626 120.828 120.200 0.003 0.000 2.051 254 E HA -0.126 4.224 4.350 0.000 0.000 0.192 254 E C 2.386 178.946 176.600 -0.067 0.000 0.991 254 E CA 0.679 57.018 56.400 -0.101 0.000 0.799 254 E CB -0.144 29.476 29.700 -0.133 0.000 0.748 254 E HN 0.177 nan 8.360 nan 0.000 0.449 255 L N 0.715 121.977 121.223 0.065 0.000 2.046 255 L HA -0.176 4.164 4.340 0.000 0.000 0.208 255 L C 2.560 179.334 176.870 -0.160 0.000 1.077 255 L CA 1.259 56.161 54.840 0.102 0.000 0.747 255 L CB -0.600 41.527 42.059 0.113 0.000 0.896 255 L HN 0.174 nan 8.230 nan 0.000 0.432 256 T N -1.056 113.272 114.554 -0.376 0.000 2.777 256 T HA -0.211 4.139 4.350 0.000 0.000 0.266 256 T C 2.026 176.551 174.700 -0.292 0.000 1.040 256 T CA 1.231 63.063 62.100 -0.447 0.000 1.141 256 T CB -0.180 68.243 68.868 -0.742 0.000 0.868 256 T HN 0.261 nan 8.240 nan 0.000 0.444 257 R N 0.562 120.904 120.500 -0.265 0.000 2.153 257 R HA 0.169 4.509 4.340 0.000 0.000 0.218 257 R C 2.447 178.550 176.300 -0.328 0.000 1.072 257 R CA 0.879 56.834 56.100 -0.241 0.000 0.990 257 R CB -0.207 29.977 30.300 -0.192 0.000 0.889 257 R HN 0.362 nan 8.270 nan 0.000 0.452 258 A N 0.363 122.893 122.820 -0.483 0.000 1.898 258 A HA 0.029 4.349 4.320 0.000 0.000 0.214 258 A C 0.242 177.358 177.584 -0.780 0.000 1.183 258 A CA 0.633 52.223 52.037 -0.745 0.000 0.622 258 A CB 0.096 18.410 19.000 -1.143 0.000 0.824 258 A HN 0.247 nan 8.150 nan 0.000 0.444 259 F N 1.103 120.995 119.950 -0.096 0.000 2.453 259 F HA 0.360 4.887 4.527 0.000 0.000 0.358 259 F C -2.560 173.078 175.800 -0.270 0.000 1.129 259 F CA -3.693 54.190 58.000 -0.195 0.000 1.200 259 F CB 0.544 39.367 39.000 -0.296 0.000 1.431 259 F HN -0.011 nan 8.300 nan 0.000 0.503 260 P HA 0.117 nan 4.420 nan 0.000 0.269 260 P C -0.202 177.079 177.300 -0.032 0.000 1.215 260 P CA 0.198 63.220 63.100 -0.130 0.000 0.780 260 P CB 1.879 33.470 31.700 -0.181 0.000 0.898 261 S N 1.523 117.251 115.700 0.046 0.000 2.535 261 S HA 0.516 4.986 4.470 0.000 0.000 0.272 261 S C -2.797 171.906 174.600 0.171 0.000 1.149 261 S CA -1.061 57.233 58.200 0.156 0.000 0.888 261 S CB 0.726 63.971 63.200 0.075 0.000 1.110 261 S HN 0.338 nan 8.310 nan 0.000 0.463 262 P HA 0.499 nan 4.420 nan 0.000 0.272 262 P C -0.920 176.566 177.300 0.310 0.000 1.240 262 P CA -0.210 63.043 63.100 0.255 0.000 0.791 262 P CB 0.120 31.904 31.700 0.140 0.000 0.978 263 F N -2.515 117.497 119.950 0.103 0.000 2.643 263 F HA 0.582 5.109 4.527 0.000 0.000 0.314 263 F C -0.822 175.088 175.800 0.184 0.000 1.096 263 F CA -1.401 56.672 58.000 0.121 0.000 0.953 263 F CB 0.589 39.681 39.000 0.155 0.000 1.345 263 F HN 0.106 nan 8.300 nan 0.000 0.468 264 S N 2.242 117.945 115.700 0.004 0.000 2.474 264 S HA 0.389 4.860 4.470 0.000 0.000 0.276 264 S C -0.530 173.940 174.600 -0.217 0.000 1.227 264 S CA -0.401 57.752 58.200 -0.079 0.000 1.050 264 S CB 0.679 63.913 63.200 0.057 0.000 0.939 264 S HN 0.618 nan 8.310 nan 0.000 0.490 265 L N 5.742 126.783 121.223 -0.304 0.000 2.433 265 L HA 0.324 4.664 4.340 0.000 0.000 0.284 265 L C 0.651 177.489 176.870 -0.054 0.000 1.120 265 L CA 0.651 55.316 54.840 -0.292 0.000 0.879 265 L CB -0.635 41.154 42.059 -0.451 0.000 1.232 265 L HN 0.858 nan 8.230 nan 0.000 0.454 266 T N 0.237 114.802 114.554 0.019 0.000 2.804 266 T HA 0.450 4.800 4.350 0.000 0.000 0.290 266 T C 0.994 175.667 174.700 -0.045 0.000 1.099 266 T CA -0.440 61.658 62.100 -0.003 0.000 1.011 266 T CB 0.891 69.767 68.868 0.014 0.000 1.291 266 T HN -0.009 nan 8.240 nan 0.000 0.523 267 V N 0.731 120.568 119.914 -0.128 0.000 2.379 267 V HA -0.046 4.075 4.120 0.000 0.000 0.245 267 V C 2.545 178.511 176.094 -0.214 0.000 1.044 267 V CA 2.336 64.533 62.300 -0.173 0.000 1.036 267 V CB -1.047 30.631 31.823 -0.240 0.000 0.664 267 V HN 1.081 nan 8.190 nan 0.000 0.453 268 D N 0.740 120.945 120.400 -0.325 0.000 2.123 268 D HA -0.195 4.445 4.640 0.000 0.000 0.196 268 D C 2.087 178.426 176.300 0.064 0.000 0.992 268 D CA 1.760 55.651 54.000 -0.181 0.000 0.833 268 D CB -0.149 40.581 40.800 -0.116 0.000 0.954 268 D HN 0.359 nan 8.370 nan 0.000 0.455 269 A N 0.591 123.443 122.820 0.053 0.000 1.865 269 A HA 0.008 4.329 4.320 0.000 0.000 0.217 269 A C 2.466 179.905 177.584 -0.241 0.000 1.191 269 A CA 2.578 54.548 52.037 -0.111 0.000 0.623 269 A CB -1.341 17.730 19.000 0.118 0.000 0.826 269 A HN 0.366 nan 8.150 nan 0.000 0.444 270 A N -0.650 122.119 122.820 -0.085 0.000 1.883 270 A HA -0.050 4.270 4.320 0.000 0.000 0.217 270 A C 2.270 179.902 177.584 0.080 0.000 1.186 270 A CA 1.987 54.012 52.037 -0.019 0.000 0.624 270 A CB -1.095 17.895 19.000 -0.017 0.000 0.822 270 A HN 0.430 nan 8.150 nan 0.000 0.444 271 V N -0.005 119.940 119.914 0.053 0.000 2.295 271 V HA -0.275 3.846 4.120 0.000 0.000 0.246 271 V C 2.776 178.981 176.094 0.185 0.000 1.049 271 V CA 2.144 64.520 62.300 0.127 0.000 1.024 271 V CB -0.767 31.215 31.823 0.264 0.000 0.648 271 V HN 0.548 nan 8.190 nan 0.000 0.447 272 Q N -0.208 119.691 119.800 0.164 0.000 2.124 272 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 272 Q C 2.244 178.324 176.000 0.133 0.000 0.977 272 Q CA 1.600 57.514 55.803 0.184 0.000 0.850 272 Q CB -0.471 28.439 28.738 0.285 0.000 0.901 272 Q HN 0.727 nan 8.270 nan 0.000 0.429 273 Q N -0.762 119.018 119.800 -0.033 0.000 2.226 273 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 273 Q C 1.700 177.855 176.000 0.257 0.000 0.975 273 Q CA 1.154 56.962 55.803 0.009 0.000 0.866 273 Q CB -0.137 28.430 28.738 -0.285 0.000 0.915 273 Q HN 0.548 nan 8.270 nan 0.000 0.440 274 H N -0.025 119.138 119.070 0.155 0.000 2.372 274 H HA 0.027 4.583 4.556 0.000 0.000 0.301 274 H C 1.786 177.203 175.328 0.147 0.000 1.065 274 H CA 0.948 57.107 56.048 0.184 0.000 1.364 274 H CB 0.104 29.949 29.762 0.138 0.000 1.406 274 H HN 0.086 nan 8.280 nan 0.000 0.521 275 L N -0.316 121.062 121.223 0.259 0.000 2.275 275 L HA -0.138 4.202 4.340 0.000 0.000 0.215 275 L C 2.133 179.095 176.870 0.154 0.000 1.119 275 L CA 0.617 55.563 54.840 0.176 0.000 0.790 275 L CB -0.306 41.844 42.059 0.150 0.000 0.919 275 L HN 0.357 nan 8.230 nan 0.000 0.443 276 M N -1.035 118.680 119.600 0.192 0.000 2.080 276 M HA -0.159 4.322 4.480 0.000 0.000 0.260 276 M C 0.882 177.274 176.300 0.155 0.000 1.068 276 M CA 1.284 56.694 55.300 0.184 0.000 1.109 276 M CB -0.211 32.556 32.600 0.280 0.000 1.342 276 M HN 0.167 nan 8.290 nan 0.000 0.405 277 M N 1.165 120.852 119.600 0.144 0.000 2.239 277 M HA 0.057 4.537 4.480 0.000 0.000 0.348 277 M C 0.180 176.514 176.300 0.058 0.000 1.239 277 M CA 0.355 55.698 55.300 0.072 0.000 1.114 277 M CB -0.101 32.447 32.600 -0.086 0.000 1.641 277 M HN 0.122 nan 8.290 nan 0.000 0.453 278 E N 0.599 120.833 120.200 0.056 0.000 2.384 278 E HA 0.286 4.636 4.350 0.000 0.000 0.266 278 E C 0.884 177.503 176.600 0.031 0.000 1.012 278 E CA 0.772 57.198 56.400 0.043 0.000 0.901 278 E CB 0.457 30.185 29.700 0.048 0.000 0.967 278 E HN 0.915 nan 8.360 nan 0.000 0.435 279 G N 2.531 111.349 108.800 0.029 0.000 2.157 279 G HA2 -0.238 3.722 3.960 0.000 0.000 0.248 279 G HA3 -0.238 3.722 3.960 0.000 0.000 0.248 279 G C -0.061 174.858 174.900 0.032 0.000 0.979 279 G CA 0.107 45.222 45.100 0.024 0.000 0.650 279 G HN 0.450 nan 8.290 nan 0.000 0.529 280 V N 3.270 123.212 119.914 0.047 0.000 2.257 280 V HA 0.410 4.531 4.120 0.000 0.000 0.269 280 V C -1.356 174.783 176.094 0.075 0.000 1.040 280 V CA -1.322 61.021 62.300 0.072 0.000 0.813 280 V CB 1.412 33.297 31.823 0.103 0.000 1.065 280 V HN 0.310 nan 8.190 nan 0.000 0.457 281 P HA 0.129 nan 4.420 nan 0.000 0.271 281 P C 1.016 178.357 177.300 0.068 0.000 1.220 281 P CA 0.017 63.148 63.100 0.051 0.000 0.768 281 P CB 1.526 33.243 31.700 0.030 0.000 0.848 282 S N 2.944 118.683 115.700 0.065 0.000 2.399 282 S HA -0.171 4.300 4.470 0.000 0.000 0.231 282 S C 1.934 176.580 174.600 0.076 0.000 1.022 282 S CA 0.906 59.149 58.200 0.072 0.000 0.983 282 S CB -1.164 62.069 63.200 0.056 0.000 0.803 282 S HN 0.527 nan 8.310 nan 0.000 0.480 283 A N 1.772 124.632 122.820 0.066 0.000 2.125 283 A HA -0.010 4.310 4.320 0.000 0.000 0.219 283 A C 2.162 179.825 177.584 0.132 0.000 1.156 283 A CA 1.308 53.395 52.037 0.082 0.000 0.671 283 A CB -0.428 18.604 19.000 0.053 0.000 0.794 283 A HN 0.613 nan 8.150 nan 0.000 0.459 284 K N -0.858 119.605 120.400 0.105 0.000 2.379 284 K HA 0.272 4.593 4.320 0.000 0.000 0.194 284 K C -0.176 176.538 176.600 0.190 0.000 1.031 284 K CA -0.025 56.340 56.287 0.130 0.000 1.037 284 K CB 0.233 32.759 32.500 0.043 0.000 0.824 284 K HN 0.438 nan 8.250 nan 0.000 0.516 285 I N 2.295 122.946 120.570 0.135 0.000 2.416 285 I HA 0.039 4.209 4.170 0.000 0.000 0.288 285 I C -0.380 175.787 176.117 0.083 0.000 1.051 285 I CA -0.361 60.992 61.300 0.088 0.000 1.375 285 I CB 1.175 39.210 38.000 0.058 0.000 1.407 285 I HN -0.264 nan 8.210 nan 0.000 0.516 286 V N 7.729 127.674 119.914 0.052 0.000 2.444 286 V HA 0.276 4.396 4.120 0.000 0.000 0.294 286 V C 0.146 176.261 176.094 0.035 0.000 1.022 286 V CA -0.651 61.658 62.300 0.016 0.000 0.850 286 V CB 1.732 33.519 31.823 -0.060 0.000 0.992 286 V HN 0.706 nan 8.190 nan 0.000 0.426 287 M N 4.374 124.016 119.600 0.070 0.000 2.184 287 M HA 0.472 4.952 4.480 0.000 0.000 0.351 287 M C 0.567 176.937 176.300 0.118 0.000 1.395 287 M CA 0.048 55.399 55.300 0.085 0.000 1.117 287 M CB 0.484 33.161 32.600 0.129 0.000 1.708 287 M HN 0.789 nan 8.290 nan 0.000 0.468 288 G N 4.156 113.027 108.800 0.118 0.000 2.420 288 G HA2 0.566 4.526 3.960 0.000 0.000 0.284 288 G HA3 0.566 4.526 3.960 0.000 0.000 0.284 288 G C -0.914 174.213 174.900 0.378 0.000 1.177 288 G CA -0.550 44.710 45.100 0.267 0.000 0.841 288 G HN 0.845 nan 8.290 nan 0.000 0.527 289 V N -0.892 119.316 119.914 0.490 0.000 3.007 289 V HA 0.881 5.002 4.120 0.000 0.000 0.311 289 V C -2.770 173.571 176.094 0.411 0.000 1.120 289 V CA -2.609 59.955 62.300 0.440 0.000 0.980 289 V CB 2.642 34.542 31.823 0.129 0.000 1.033 289 V HN 0.669 nan 8.190 nan 0.000 0.429 290 P HA 0.481 nan 4.420 nan 0.000 0.290 290 P C -0.939 176.566 177.300 0.342 0.000 1.275 290 P CA -0.292 62.750 63.100 -0.096 0.000 0.841 290 P CB 1.658 32.952 31.700 -0.676 0.000 1.042 291 F N 1.792 121.751 119.950 0.014 0.000 2.684 291 F HA 0.261 4.788 4.527 0.000 0.000 0.298 291 F C 0.283 176.160 175.800 0.128 0.000 1.120 291 F CA -0.479 57.560 58.000 0.065 0.000 1.332 291 F CB -0.398 38.612 39.000 0.017 0.000 0.986 291 F HN 0.239 nan 8.300 nan 0.000 0.524 292 Y N -2.409 118.043 120.300 0.252 0.000 2.588 292 Y HA 0.867 5.417 4.550 0.000 0.000 0.343 292 Y C -0.235 175.772 175.900 0.178 0.000 1.065 292 Y CA -2.176 56.024 58.100 0.166 0.000 1.038 292 Y CB 0.998 39.536 38.460 0.130 0.000 1.297 292 Y HN -0.092 nan 8.280 nan 0.000 0.467 293 G N 1.363 110.294 108.800 0.219 0.000 2.537 293 G HA2 0.712 4.672 3.960 0.000 0.000 0.308 293 G HA3 0.712 4.672 3.960 0.000 0.000 0.308 293 G C -1.558 173.475 174.900 0.223 0.000 1.237 293 G CA -1.597 43.608 45.100 0.175 0.000 0.968 293 G HN 0.672 nan 8.290 nan 0.000 0.481 294 R N -0.118 120.497 120.500 0.191 0.000 2.494 294 R HA 0.633 4.973 4.340 0.000 0.000 0.305 294 R C -0.399 175.975 176.300 0.125 0.000 0.959 294 R CA -0.544 55.637 56.100 0.135 0.000 0.864 294 R CB 2.158 32.531 30.300 0.122 0.000 1.159 294 R HN 0.613 nan 8.270 nan 0.000 0.446 295 A N 3.298 126.146 122.820 0.046 0.000 2.312 295 A HA 0.774 5.095 4.320 0.000 0.000 0.328 295 A C -1.051 176.674 177.584 0.235 0.000 1.158 295 A CA -0.403 51.771 52.037 0.229 0.000 0.821 295 A CB 0.559 19.673 19.000 0.190 0.000 1.170 295 A HN 0.542 nan 8.150 nan 0.000 0.490 296 F N 0.378 120.514 119.950 0.309 0.000 2.577 296 F HA 0.641 5.169 4.527 0.000 0.000 0.318 296 F C 0.424 176.229 175.800 0.008 0.000 1.065 296 F CA -0.592 57.481 58.000 0.122 0.000 0.929 296 F CB 2.390 41.383 39.000 -0.011 0.000 1.237 296 F HN 0.708 nan 8.300 nan 0.000 0.468 297 K N -0.672 119.649 120.400 -0.132 0.000 2.444 297 K HA 0.777 5.097 4.320 0.000 0.000 0.252 297 K C 0.195 176.732 176.600 -0.106 0.000 0.993 297 K CA -0.720 55.359 56.287 -0.347 0.000 0.847 297 K CB 2.071 33.851 32.500 -1.201 0.000 1.340 297 K HN 0.971 nan 8.250 nan 0.000 0.446 298 G N 0.152 108.902 108.800 -0.084 0.000 2.198 298 G HA2 -0.220 3.740 3.960 0.000 0.000 0.257 298 G HA3 -0.220 3.740 3.960 0.000 0.000 0.257 298 G C -0.077 174.850 174.900 0.044 0.000 1.042 298 G CA 0.115 45.201 45.100 -0.023 0.000 0.791 298 G HN 1.063 nan 8.290 nan 0.000 0.502 299 V N -0.926 119.037 119.914 0.083 0.000 2.546 299 V HA 0.857 4.977 4.120 0.000 0.000 0.284 299 V C 0.745 176.881 176.094 0.070 0.000 1.050 299 V CA -0.136 62.206 62.300 0.068 0.000 0.981 299 V CB 1.442 33.316 31.823 0.084 0.000 0.990 299 V HN 1.339 nan 8.190 nan 0.000 0.474 300 S N 3.858 119.562 115.700 0.006 0.000 2.601 300 S HA 0.715 5.185 4.470 0.000 0.000 0.271 300 S C 0.537 175.140 174.600 0.006 0.000 1.305 300 S CA -0.056 58.151 58.200 0.012 0.000 1.022 300 S CB 1.110 64.296 63.200 -0.023 0.000 0.940 300 S HN 1.573 nan 8.310 nan 0.000 0.525 301 G N -0.492 108.342 108.800 0.056 0.000 2.510 301 G HA2 0.557 4.517 3.960 0.000 0.000 0.280 301 G HA3 0.557 4.517 3.960 0.000 0.000 0.280 301 G C 0.915 175.794 174.900 -0.036 0.000 1.386 301 G CA -0.457 44.677 45.100 0.057 0.000 1.047 301 G HN 1.934 nan 8.290 nan 0.000 0.527 302 G N -0.992 107.792 108.800 -0.027 0.000 2.279 302 G HA2 -0.268 3.692 3.960 0.000 0.000 0.223 302 G HA3 -0.268 3.692 3.960 0.000 0.000 0.223 302 G C 0.583 175.439 174.900 -0.073 0.000 1.015 302 G CA 0.673 45.754 45.100 -0.032 0.000 0.621 302 G HN 0.994 nan 8.290 nan 0.000 0.506 303 N N -0.015 118.583 118.700 -0.171 0.000 2.598 303 N HA 0.419 5.160 4.740 0.000 0.000 0.295 303 N C 1.240 176.584 175.510 -0.278 0.000 1.729 303 N CA 0.628 53.570 53.050 -0.179 0.000 0.877 303 N CB -0.107 38.280 38.487 -0.167 0.000 1.405 303 N HN 1.337 nan 8.380 nan 0.000 0.491 304 G N 0.214 108.766 108.800 -0.413 0.000 2.166 304 G HA2 -0.304 3.657 3.960 0.000 0.000 0.260 304 G HA3 -0.304 3.657 3.960 0.000 0.000 0.260 304 G C 0.895 175.415 174.900 -0.633 0.000 0.986 304 G CA 0.294 45.112 45.100 -0.471 0.000 0.683 304 G HN 0.935 nan 8.290 nan 0.000 0.527 305 G N -1.758 106.564 108.800 -0.795 0.000 2.176 305 G HA2 -0.256 3.704 3.960 0.000 0.000 0.253 305 G HA3 -0.256 3.704 3.960 0.000 0.000 0.253 305 G C 0.313 174.608 174.900 -1.010 0.000 0.979 305 G CA 1.002 45.769 45.100 -0.556 0.000 0.641 305 G HN 1.168 nan 8.290 nan 0.000 0.530 306 Q N -0.715 118.457 119.800 -1.046 0.000 2.327 306 Q HA 0.466 4.806 4.340 0.000 0.000 0.254 306 Q C 0.439 175.799 176.000 -1.067 0.000 0.952 306 Q CA -0.479 54.418 55.803 -1.510 0.000 0.884 306 Q CB 0.291 28.035 28.738 -1.657 0.000 1.224 306 Q HN 0.626 nan 8.270 nan 0.000 0.422 307 Y N -1.221 118.668 120.300 -0.685 0.000 3.305 307 Y HA -0.266 4.284 4.550 0.000 0.000 0.212 307 Y C 0.009 175.700 175.900 -0.348 0.000 1.248 307 Y CA 0.707 58.548 58.100 -0.432 0.000 1.359 307 Y CB -2.365 35.914 38.460 -0.302 0.000 1.407 307 Y HN 0.482 nan 8.280 nan 0.000 0.572 308 S N -0.307 115.213 115.700 -0.300 0.000 2.648 308 S HA 0.830 5.300 4.470 0.000 0.000 0.305 308 S C 0.383 174.919 174.600 -0.106 0.000 1.094 308 S CA -0.119 57.963 58.200 -0.198 0.000 0.983 308 S CB 1.546 64.605 63.200 -0.236 0.000 1.101 308 S HN 0.663 nan 8.310 nan 0.000 0.514 309 S N 1.149 116.813 115.700 -0.060 0.000 2.614 309 S HA 0.579 5.049 4.470 0.000 0.000 0.265 309 S C -0.375 174.245 174.600 0.033 0.000 1.303 309 S CA -0.154 58.022 58.200 -0.039 0.000 1.000 309 S CB 0.041 63.199 63.200 -0.070 0.000 0.935 309 S HN 1.146 nan 8.310 nan 0.000 0.551 310 H N -2.323 116.735 119.070 -0.020 0.000 3.017 310 H HA 0.633 5.190 4.556 0.000 0.000 0.346 310 H C -0.528 174.799 175.328 -0.001 0.000 1.286 310 H CA -0.466 55.586 56.048 0.006 0.000 1.120 310 H CB 0.871 30.697 29.762 0.106 0.000 1.860 310 H HN 0.509 nan 8.280 nan 0.000 0.542 311 S N 0.189 115.920 115.700 0.051 0.000 2.537 311 S HA 0.214 4.684 4.470 0.000 0.000 0.246 311 S C -0.389 174.240 174.600 0.048 0.000 1.036 311 S CA -0.441 57.742 58.200 -0.029 0.000 1.041 311 S CB -0.816 62.341 63.200 -0.072 0.000 0.799 311 S HN 0.634 nan 8.310 nan 0.000 0.456 312 T N 4.751 119.517 114.554 0.353 0.000 2.780 312 T HA 0.405 4.755 4.350 0.000 0.000 0.294 312 T C -2.645 172.223 174.700 0.280 0.000 0.949 312 T CA -1.171 61.099 62.100 0.284 0.000 1.074 312 T CB 0.803 69.799 68.868 0.214 0.000 0.910 312 T HN 0.170 nan 8.240 nan 0.000 0.501 313 P HA 0.239 nan 4.420 nan 0.000 0.268 313 P C 0.787 178.242 177.300 0.259 0.000 1.205 313 P CA -0.121 63.117 63.100 0.229 0.000 0.771 313 P CB 0.493 32.335 31.700 0.237 0.000 0.858 314 G N 1.233 110.168 108.800 0.226 0.000 3.192 314 G HA2 0.042 4.002 3.960 0.000 0.000 0.239 314 G HA3 0.042 4.002 3.960 0.000 0.000 0.239 314 G C 0.112 175.155 174.900 0.239 0.000 1.084 314 G CA -0.015 45.248 45.100 0.272 0.000 0.784 314 G HN 0.390 nan 8.290 nan 0.000 0.540 315 E N 0.413 120.722 120.200 0.183 0.000 2.410 315 E HA 0.448 4.798 4.350 0.000 0.000 0.255 315 E C -0.974 175.720 176.600 0.157 0.000 1.194 315 E CA 0.209 56.694 56.400 0.142 0.000 0.955 315 E CB 0.814 30.572 29.700 0.097 0.000 0.988 315 E HN 0.116 nan 8.360 nan 0.000 0.461 316 D N 0.419 120.896 120.400 0.128 0.000 2.855 316 D HA 0.291 4.931 4.640 0.000 0.000 0.241 316 D C -2.264 174.108 176.300 0.119 0.000 1.277 316 D CA -1.178 52.901 54.000 0.131 0.000 0.918 316 D CB 0.882 41.755 40.800 0.122 0.000 1.462 316 D HN 0.279 nan 8.370 nan 0.000 0.559 317 P HA 0.138 nan 4.420 nan 0.000 0.286 317 P C -0.666 176.743 177.300 0.181 0.000 1.293 317 P CA -0.499 62.687 63.100 0.143 0.000 0.770 317 P CB 0.335 32.110 31.700 0.126 0.000 1.206 318 Y N 2.213 122.564 120.300 0.086 0.000 2.729 318 Y HA 0.037 4.587 4.550 0.000 0.000 0.331 318 Y C -1.002 174.953 175.900 0.092 0.000 1.208 318 Y CA -1.538 56.623 58.100 0.102 0.000 1.521 318 Y CB 0.013 38.542 38.460 0.115 0.000 1.233 318 Y HN 0.251 nan 8.280 nan 0.000 0.539 319 P HA -0.044 nan 4.420 nan 0.000 0.229 319 P C 0.260 177.331 177.300 -0.381 0.000 1.160 319 P CA 0.604 63.536 63.100 -0.278 0.000 0.777 319 P CB 0.550 32.150 31.700 -0.167 0.000 0.814 320 S N -0.605 114.626 115.700 -0.780 0.000 2.768 320 S HA 0.431 4.902 4.470 0.000 0.000 0.300 320 S C 0.976 175.405 174.600 -0.285 0.000 1.122 320 S CA 0.137 58.056 58.200 -0.468 0.000 0.995 320 S CB 0.912 63.882 63.200 -0.382 0.000 1.195 320 S HN 0.154 nan 8.310 nan 0.000 0.547 321 T N -1.372 113.058 114.554 -0.207 0.000 3.043 321 T HA 0.245 4.595 4.350 0.000 0.000 0.272 321 T C -0.168 174.140 174.700 -0.654 0.000 0.990 321 T CA -0.233 61.664 62.100 -0.338 0.000 0.897 321 T CB -0.163 68.606 68.868 -0.165 0.000 1.111 321 T HN 0.441 nan 8.240 nan 0.000 0.529 322 D N 1.794 122.028 120.400 -0.276 0.000 2.342 322 D HA 0.099 4.739 4.640 0.000 0.000 0.260 322 D C -1.236 174.982 176.300 -0.137 0.000 1.278 322 D CA -0.372 53.566 54.000 -0.104 0.000 0.910 322 D CB 0.006 40.911 40.800 0.174 0.000 1.079 322 D HN 0.315 nan 8.370 nan 0.000 0.496 323 Y N 4.901 125.237 120.300 0.061 0.000 2.700 323 Y HA 0.184 4.734 4.550 0.000 0.000 0.333 323 Y C 0.674 176.479 175.900 -0.158 0.000 1.036 323 Y CA -1.093 56.882 58.100 -0.209 0.000 1.287 323 Y CB 0.187 38.538 38.460 -0.181 0.000 1.132 323 Y HN 0.510 nan 8.280 nan 0.000 0.510 324 W N 1.614 122.972 121.300 0.098 0.000 3.290 324 W HA 0.256 4.916 4.660 0.000 0.000 0.287 324 W C -0.640 175.879 176.519 0.001 0.000 1.288 324 W CA -0.432 56.933 57.345 0.034 0.000 1.725 324 W CB 0.084 29.566 29.460 0.037 0.000 1.103 324 W HN 0.342 nan 8.180 nan 0.000 0.670 325 L N 3.148 124.255 121.223 -0.193 0.000 2.356 325 L HA 0.252 4.592 4.340 0.000 0.000 0.282 325 L C 0.341 177.188 176.870 -0.038 0.000 1.132 325 L CA -0.707 54.096 54.840 -0.061 0.000 0.923 325 L CB 0.227 42.104 42.059 -0.303 0.000 1.278 325 L HN -0.215 nan 8.230 nan 0.000 0.436 326 V N 6.169 126.102 119.914 0.032 0.000 2.644 326 V HA 0.133 4.254 4.120 0.000 0.000 0.303 326 V C 1.597 177.537 176.094 -0.256 0.000 1.058 326 V CA 1.448 63.696 62.300 -0.086 0.000 1.228 326 V CB -0.292 31.452 31.823 -0.131 0.000 0.861 326 V HN 1.078 nan 8.190 nan 0.000 0.484 327 G N 3.281 111.782 108.800 -0.499 0.000 2.199 327 G HA2 -0.292 3.669 3.960 0.000 0.000 0.254 327 G HA3 -0.292 3.669 3.960 0.000 0.000 0.254 327 G C 0.552 175.220 174.900 -0.386 0.000 0.982 327 G CA 0.036 44.643 45.100 -0.821 0.000 0.632 327 G HN 1.040 nan 8.290 nan 0.000 0.529 328 C N 2.293 121.428 119.300 -0.276 0.000 2.262 328 C HA 0.572 5.032 4.460 0.000 0.000 0.413 328 C C 1.837 176.695 174.990 -0.221 0.000 1.019 328 C CA 0.144 59.018 59.018 -0.240 0.000 1.320 328 C CB -1.425 26.160 27.740 -0.258 0.000 1.657 328 C HN 0.540 nan 8.230 nan 0.000 0.510 329 E N 0.996 121.091 120.200 -0.174 0.000 2.204 329 E HA -0.220 4.130 4.350 0.000 0.000 0.194 329 E C 1.924 178.418 176.600 -0.177 0.000 0.989 329 E CA 0.977 57.286 56.400 -0.152 0.000 0.824 329 E CB 0.067 29.712 29.700 -0.091 0.000 0.756 329 E HN 0.863 nan 8.360 nan 0.000 0.477 330 E N 0.672 120.774 120.200 -0.163 0.000 2.118 330 E HA -0.205 4.145 4.350 0.000 0.000 0.195 330 E C 1.946 178.416 176.600 -0.215 0.000 0.992 330 E CA 1.269 57.578 56.400 -0.151 0.000 0.804 330 E CB -0.010 29.619 29.700 -0.120 0.000 0.741 330 E HN 0.248 nan 8.360 nan 0.000 0.458 331 C N 0.013 119.144 119.300 -0.283 0.000 2.429 331 C HA -0.088 4.372 4.460 0.000 0.000 0.277 331 C C 2.661 177.291 174.990 -0.599 0.000 1.262 331 C CA 0.502 59.285 59.018 -0.392 0.000 1.733 331 C CB -0.801 26.680 27.740 -0.432 0.000 2.010 331 C HN 0.343 nan 8.230 nan 0.000 0.483 332 V N 1.230 120.763 119.914 -0.636 0.000 2.261 332 V HA -0.243 3.878 4.120 0.000 0.000 0.246 332 V C 2.684 178.467 176.094 -0.519 0.000 1.047 332 V CA 2.263 64.043 62.300 -0.868 0.000 1.015 332 V CB -0.815 30.742 31.823 -0.442 0.000 0.642 332 V HN 0.526 nan 8.190 nan 0.000 0.446 333 R N 0.261 120.584 120.500 -0.294 0.000 2.083 333 R HA -0.205 4.136 4.340 0.000 0.000 0.237 333 R C 1.742 177.952 176.300 -0.150 0.000 1.137 333 R CA 2.224 58.222 56.100 -0.169 0.000 0.951 333 R CB -0.349 29.883 30.300 -0.113 0.000 0.851 333 R HN 0.513 nan 8.270 nan 0.000 0.434 334 D N 0.317 120.611 120.400 -0.176 0.000 2.340 334 D HA 0.006 4.646 4.640 0.000 0.000 0.220 334 D C -0.121 176.108 176.300 -0.119 0.000 1.039 334 D CA 0.331 54.262 54.000 -0.116 0.000 0.866 334 D CB 0.292 41.037 40.800 -0.092 0.000 0.913 334 D HN 0.208 nan 8.370 nan 0.000 0.523 335 K N 1.067 121.329 120.400 -0.229 0.000 3.125 335 K HA -0.158 4.162 4.320 0.000 0.000 0.268 335 K C -0.633 175.973 176.600 0.010 0.000 1.078 335 K CA 0.468 56.702 56.287 -0.088 0.000 0.775 335 K CB -1.022 31.555 32.500 0.128 0.000 1.253 335 K HN 0.096 nan 8.250 nan 0.000 0.486 336 D N -0.582 119.668 120.400 -0.250 0.000 2.419 336 D HA 0.093 4.733 4.640 0.000 0.000 0.219 336 D C -2.246 173.727 176.300 -0.545 0.000 1.349 336 D CA -1.377 52.387 54.000 -0.393 0.000 0.964 336 D CB 1.479 42.168 40.800 -0.184 0.000 1.463 336 D HN -0.135 nan 8.370 nan 0.000 0.573 337 P HA 0.079 nan 4.420 nan 0.000 0.245 337 P C 0.748 177.530 177.300 -0.863 0.000 1.212 337 P CA 0.060 62.577 63.100 -0.973 0.000 0.774 337 P CB 0.447 31.181 31.700 -1.611 0.000 0.999 338 R N -0.555 119.629 120.500 -0.527 0.000 2.297 338 R HA 0.305 4.645 4.340 0.000 0.000 0.197 338 R C 1.042 177.265 176.300 -0.128 0.000 0.943 338 R CA 0.240 56.217 56.100 -0.205 0.000 1.038 338 R CB 0.267 30.535 30.300 -0.053 0.000 0.957 338 R HN 0.254 nan 8.270 nan 0.000 0.484 339 I N -0.485 119.994 120.570 -0.152 0.000 2.827 339 I HA 0.585 4.755 4.170 0.000 0.000 0.298 339 I C -1.997 174.073 176.117 -0.078 0.000 1.235 339 I CA -0.885 60.387 61.300 -0.048 0.000 1.021 339 I CB 2.264 40.250 38.000 -0.023 0.000 1.259 339 I HN -0.039 nan 8.210 nan 0.000 0.427 340 A N 4.352 127.168 122.820 -0.007 0.000 2.574 340 A HA 0.650 4.970 4.320 0.000 0.000 0.297 340 A C -0.604 177.001 177.584 0.035 0.000 1.062 340 A CA -0.242 51.766 52.037 -0.049 0.000 0.686 340 A CB 1.591 20.503 19.000 -0.145 0.000 1.285 340 A HN 0.873 nan 8.150 nan 0.000 0.403 341 S N 0.736 116.445 115.700 0.016 0.000 2.593 341 S HA 0.274 4.744 4.470 0.000 0.000 0.269 341 S C 0.882 175.493 174.600 0.019 0.000 1.334 341 S CA 0.364 58.606 58.200 0.070 0.000 1.015 341 S CB 0.173 63.392 63.200 0.032 0.000 0.912 341 S HN 1.343 nan 8.310 nan 0.000 0.541 342 Y N 1.922 122.210 120.300 -0.020 0.000 2.207 342 Y HA -0.147 4.403 4.550 0.000 0.000 0.287 342 Y C 2.684 178.522 175.900 -0.103 0.000 1.156 342 Y CA 2.050 60.096 58.100 -0.090 0.000 1.182 342 Y CB -0.356 38.023 38.460 -0.135 0.000 0.979 342 Y HN 0.827 nan 8.280 nan 0.000 0.521 343 R N -0.087 120.351 120.500 -0.103 0.000 2.096 343 R HA -0.289 4.051 4.340 0.000 0.000 0.240 343 R C 2.389 178.560 176.300 -0.214 0.000 1.139 343 R CA 2.150 58.171 56.100 -0.132 0.000 0.952 343 R CB -0.366 29.957 30.300 0.040 0.000 0.854 343 R HN 0.422 nan 8.270 nan 0.000 0.436 344 Q N 0.609 120.305 119.800 -0.173 0.000 2.046 344 Q HA -0.089 4.252 4.340 0.000 0.000 0.200 344 Q C 2.098 177.928 176.000 -0.282 0.000 0.975 344 Q CA 1.685 57.377 55.803 -0.184 0.000 0.836 344 Q CB -0.331 28.315 28.738 -0.153 0.000 0.896 344 Q HN 0.455 nan 8.270 nan 0.000 0.428 345 L N 0.429 121.428 121.223 -0.373 0.000 2.013 345 L HA -0.244 4.097 4.340 0.000 0.000 0.212 345 L C 2.591 179.149 176.870 -0.521 0.000 1.073 345 L CA 2.054 56.589 54.840 -0.509 0.000 0.753 345 L CB -0.606 41.070 42.059 -0.639 0.000 0.890 345 L HN 0.460 nan 8.230 nan 0.000 0.432 346 E N -0.036 119.786 120.200 -0.630 0.000 2.051 346 E HA -0.281 4.069 4.350 0.000 0.000 0.192 346 E C 2.202 178.644 176.600 -0.264 0.000 0.991 346 E CA 1.344 57.433 56.400 -0.517 0.000 0.799 346 E CB 0.009 29.305 29.700 -0.672 0.000 0.748 346 E HN 0.495 nan 8.360 nan 0.000 0.449 347 Q N -0.361 119.311 119.800 -0.214 0.000 2.170 347 Q HA -0.159 4.182 4.340 0.000 0.000 0.203 347 Q C 2.181 178.180 176.000 -0.000 0.000 0.976 347 Q CA 1.658 57.409 55.803 -0.086 0.000 0.858 347 Q CB -0.027 28.673 28.738 -0.063 0.000 0.907 347 Q HN 0.422 nan 8.270 nan 0.000 0.433 348 M N -0.256 119.304 119.600 -0.066 0.000 2.132 348 M HA -0.145 4.335 4.480 0.000 0.000 0.263 348 M C 1.935 178.329 176.300 0.157 0.000 1.065 348 M CA 1.242 56.577 55.300 0.058 0.000 1.122 348 M CB -0.132 32.317 32.600 -0.251 0.000 1.365 348 M HN 0.225 nan 8.290 nan 0.000 0.411 349 L N -0.275 120.926 121.223 -0.037 0.000 2.275 349 L HA -0.200 4.140 4.340 0.000 0.000 0.215 349 L C 2.360 179.247 176.870 0.029 0.000 1.119 349 L CA 1.084 55.930 54.840 0.010 0.000 0.790 349 L CB -0.347 41.672 42.059 -0.066 0.000 0.919 349 L HN 0.429 nan 8.230 nan 0.000 0.443 350 Q N -0.851 118.956 119.800 0.011 0.000 2.212 350 Q HA -0.023 4.317 4.340 0.000 0.000 0.199 350 Q C 1.947 177.933 176.000 -0.023 0.000 0.950 350 Q CA 0.878 56.676 55.803 -0.008 0.000 0.863 350 Q CB 0.031 28.755 28.738 -0.023 0.000 0.944 350 Q HN 0.509 nan 8.270 nan 0.000 0.465 351 G N 0.985 109.795 108.800 0.016 0.000 3.061 351 G HA2 -0.145 3.816 3.960 0.000 0.000 0.208 351 G HA3 -0.145 3.816 3.960 0.000 0.000 0.208 351 G C 0.105 174.691 174.900 -0.523 0.000 1.175 351 G CA -0.157 44.792 45.100 -0.253 0.000 0.812 351 G HN 0.386 nan 8.290 nan 0.000 0.523 352 N N -0.918 117.667 118.700 -0.191 0.000 2.666 352 N HA -0.250 4.490 4.740 0.000 0.000 0.274 352 N C -0.122 175.246 175.510 -0.237 0.000 1.043 352 N CA 0.387 53.342 53.050 -0.158 0.000 0.782 352 N CB -1.238 37.154 38.487 -0.158 0.000 0.912 352 N HN 0.443 nan 8.380 nan 0.000 0.556 353 Y N -0.635 119.692 120.300 0.046 0.000 2.481 353 Y HA 0.368 4.919 4.550 0.000 0.000 0.247 353 Y C 1.963 177.786 175.900 -0.129 0.000 1.151 353 Y CA 0.384 58.500 58.100 0.027 0.000 1.238 353 Y CB 0.567 39.120 38.460 0.154 0.000 1.179 353 Y HN 0.475 nan 8.280 nan 0.000 0.524 354 G N -1.167 107.581 108.800 -0.086 0.000 2.184 354 G HA2 -0.263 3.697 3.960 0.000 0.000 0.206 354 G HA3 -0.263 3.697 3.960 0.000 0.000 0.206 354 G C -0.330 174.222 174.900 -0.579 0.000 0.995 354 G CA -0.655 44.204 45.100 -0.402 0.000 0.651 354 G HN 0.191 nan 8.290 nan 0.000 0.511 355 Y N 0.907 121.137 120.300 -0.117 0.000 2.309 355 Y HA 0.585 5.135 4.550 0.000 0.000 0.327 355 Y C 0.753 176.618 175.900 -0.058 0.000 1.172 355 Y CA 0.708 58.769 58.100 -0.066 0.000 1.280 355 Y CB 0.995 39.480 38.460 0.041 0.000 1.234 355 Y HN 0.533 nan 8.280 nan 0.000 0.512 356 Q N 3.137 123.014 119.800 0.129 0.000 2.312 356 Q HA 0.517 4.857 4.340 0.000 0.000 0.263 356 Q C -0.634 175.431 176.000 0.109 0.000 0.995 356 Q CA -1.315 54.542 55.803 0.090 0.000 0.853 356 Q CB 1.563 30.349 28.738 0.081 0.000 1.300 356 Q HN 0.629 nan 8.270 nan 0.000 0.448 357 R N 3.126 123.668 120.500 0.070 0.000 2.235 357 R HA 0.447 4.787 4.340 0.000 0.000 0.338 357 R C -1.121 175.168 176.300 -0.018 0.000 1.087 357 R CA -0.110 56.027 56.100 0.062 0.000 0.948 357 R CB -0.667 29.686 30.300 0.088 0.000 1.099 357 R HN 0.758 nan 8.270 nan 0.000 0.483 358 L N 3.152 124.246 121.223 -0.215 0.000 2.365 358 L HA 0.579 4.919 4.340 0.000 0.000 0.267 358 L C -0.101 176.597 176.870 -0.287 0.000 1.033 358 L CA -0.884 53.707 54.840 -0.416 0.000 0.802 358 L CB 1.506 42.984 42.059 -0.967 0.000 1.267 358 L HN 0.492 nan 8.230 nan 0.000 0.457 359 W N 1.857 122.997 121.300 -0.267 0.000 3.097 359 W HA 0.272 4.932 4.660 0.000 0.000 0.335 359 W C -1.624 174.992 176.519 0.161 0.000 1.114 359 W CA -0.639 56.696 57.345 -0.016 0.000 1.231 359 W CB 1.835 31.278 29.460 -0.028 0.000 1.388 359 W HN 0.451 nan 8.180 nan 0.000 0.485 360 N N 3.788 122.211 118.700 -0.462 0.000 2.437 360 N HA 0.036 4.777 4.740 0.000 0.000 0.259 360 N C 0.091 175.197 175.510 -0.673 0.000 0.983 360 N CA 0.256 53.089 53.050 -0.362 0.000 0.937 360 N CB 1.354 39.628 38.487 -0.356 0.000 1.122 360 N HN 0.467 nan 8.380 nan 0.000 0.499 361 D N 2.480 122.777 120.400 -0.173 0.000 2.371 361 D HA 0.015 4.655 4.640 0.000 0.000 0.221 361 D C 1.144 177.401 176.300 -0.070 0.000 0.986 361 D CA 0.989 54.999 54.000 0.016 0.000 0.899 361 D CB 0.601 41.512 40.800 0.186 0.000 0.902 361 D HN 0.428 nan 8.370 nan 0.000 0.530 362 K N -0.895 119.438 120.400 -0.111 0.000 2.121 362 K HA 0.019 4.339 4.320 0.000 0.000 0.203 362 K C 2.170 178.733 176.600 -0.062 0.000 1.041 362 K CA 1.351 57.606 56.287 -0.054 0.000 0.969 362 K CB -0.802 31.687 32.500 -0.019 0.000 0.799 362 K HN 0.248 nan 8.250 nan 0.000 0.456 363 T N -0.644 113.786 114.554 -0.208 0.000 3.023 363 T HA 0.010 4.360 4.350 0.000 0.000 0.266 363 T C 0.489 174.956 174.700 -0.389 0.000 1.093 363 T CA 0.299 62.239 62.100 -0.267 0.000 1.129 363 T CB -0.010 68.579 68.868 -0.464 0.000 0.899 363 T HN 0.006 nan 8.240 nan 0.000 0.491 364 K N 2.060 122.106 120.400 -0.589 0.000 3.161 364 K HA -0.111 4.209 4.320 0.000 0.000 0.270 364 K C 0.020 176.020 176.600 -1.001 0.000 1.115 364 K CA 1.235 57.061 56.287 -0.768 0.000 0.789 364 K CB -2.765 29.451 32.500 -0.473 0.000 1.256 364 K HN 0.905 nan 8.250 nan 0.000 0.492 365 T N -2.583 111.168 114.554 -1.339 0.000 2.896 365 T HA 0.754 5.104 4.350 0.000 0.000 0.297 365 T C -2.941 171.264 174.700 -0.824 0.000 1.108 365 T CA -1.772 59.782 62.100 -0.910 0.000 1.004 365 T CB 3.802 72.381 68.868 -0.481 0.000 1.159 365 T HN -0.154 nan 8.240 nan 0.000 0.499 366 P HA 0.588 nan 4.420 nan 0.000 0.283 366 P C -1.714 175.615 177.300 0.048 0.000 1.278 366 P CA -0.582 62.482 63.100 -0.061 0.000 0.834 366 P CB 0.770 32.373 31.700 -0.161 0.000 1.150 367 Y N -2.411 117.944 120.300 0.091 0.000 2.573 367 Y HA 0.554 5.104 4.550 0.000 0.000 0.328 367 Y C -1.864 174.175 175.900 0.231 0.000 1.170 367 Y CA -1.329 56.855 58.100 0.140 0.000 1.078 367 Y CB 0.345 38.809 38.460 0.006 0.000 1.341 367 Y HN 0.092 nan 8.280 nan 0.000 0.459 368 L N 3.482 124.852 121.223 0.245 0.000 2.322 368 L HA 0.513 4.854 4.340 0.000 0.000 0.279 368 L C -1.246 175.871 176.870 0.411 0.000 1.036 368 L CA -1.078 53.890 54.840 0.213 0.000 0.807 368 L CB 1.572 43.658 42.059 0.045 0.000 1.226 368 L HN 0.760 nan 8.230 nan 0.000 0.433 369 Y N 2.479 122.954 120.300 0.292 0.000 2.361 369 Y HA 0.331 4.881 4.550 0.000 0.000 0.337 369 Y C -0.770 175.301 175.900 0.285 0.000 0.965 369 Y CA -1.025 57.281 58.100 0.343 0.000 1.091 369 Y CB 1.078 39.721 38.460 0.304 0.000 1.182 369 Y HN 0.483 nan 8.280 nan 0.000 0.450 370 H N 6.411 125.399 119.070 -0.138 0.000 2.643 370 H HA 0.478 5.034 4.556 0.000 0.000 0.259 370 H C 0.506 175.409 175.328 -0.708 0.000 1.298 370 H CA 0.521 56.337 56.048 -0.386 0.000 1.301 370 H CB 1.119 30.721 29.762 -0.268 0.000 1.422 370 H HN 0.977 nan 8.280 nan 0.000 0.521 371 A N 3.768 125.961 122.820 -1.044 0.000 1.884 371 A HA -0.265 4.055 4.320 0.000 0.000 0.219 371 A C 2.288 179.744 177.584 -0.215 0.000 1.197 371 A CA 2.006 53.557 52.037 -0.811 0.000 0.637 371 A CB -0.487 18.245 19.000 -0.447 0.000 0.827 371 A HN 0.782 nan 8.150 nan 0.000 0.450 372 Q N -0.782 118.947 119.800 -0.119 0.000 1.985 372 Q HA -0.241 4.099 4.340 0.000 0.000 0.207 372 Q C 1.274 177.354 176.000 0.134 0.000 0.996 372 Q CA 2.128 57.964 55.803 0.054 0.000 0.851 372 Q CB -0.167 28.618 28.738 0.079 0.000 0.921 372 Q HN 0.692 nan 8.270 nan 0.000 0.418 373 N N -0.920 117.931 118.700 0.251 0.000 2.398 373 N HA 0.131 4.871 4.740 0.000 0.000 0.188 373 N C -0.140 175.379 175.510 0.015 0.000 1.122 373 N CA 0.820 53.852 53.050 -0.030 0.000 0.866 373 N CB 0.864 39.115 38.487 -0.394 0.000 0.970 373 N HN 0.439 nan 8.380 nan 0.000 0.462 374 G N 0.524 109.382 108.800 0.097 0.000 2.314 374 G HA2 -0.241 3.719 3.960 0.000 0.000 0.292 374 G HA3 -0.241 3.719 3.960 0.000 0.000 0.292 374 G C -0.711 174.312 174.900 0.205 0.000 1.059 374 G CA -0.093 45.107 45.100 0.167 0.000 0.982 374 G HN 0.122 nan 8.290 nan 0.000 0.505 375 L N -0.532 120.858 121.223 0.278 0.000 2.331 375 L HA 0.909 5.249 4.340 0.000 0.000 0.275 375 L C -0.082 177.134 176.870 0.577 0.000 1.022 375 L CA -1.612 53.455 54.840 0.378 0.000 0.812 375 L CB 1.667 43.943 42.059 0.363 0.000 1.257 375 L HN 0.246 nan 8.230 nan 0.000 0.435 376 F N 3.024 123.199 119.950 0.374 0.000 2.557 376 F HA 0.752 5.279 4.527 0.000 0.000 0.316 376 F C -1.221 174.790 175.800 0.351 0.000 1.141 376 F CA -0.699 57.492 58.000 0.320 0.000 0.922 376 F CB 1.613 40.651 39.000 0.063 0.000 1.194 376 F HN 0.108 nan 8.300 nan 0.000 0.443 377 V N 4.273 123.901 119.914 -0.476 0.000 2.588 377 V HA 0.512 4.632 4.120 0.000 0.000 0.304 377 V C -0.420 175.373 176.094 -0.500 0.000 1.042 377 V CA -0.766 61.344 62.300 -0.317 0.000 0.877 377 V CB 1.742 33.487 31.823 -0.131 0.000 0.996 377 V HN 0.828 nan 8.190 nan 0.000 0.425 378 T N 4.946 119.362 114.554 -0.230 0.000 2.771 378 T HA 0.768 5.118 4.350 0.000 0.000 0.281 378 T C -1.006 173.827 174.700 0.222 0.000 0.982 378 T CA -0.211 61.872 62.100 -0.028 0.000 0.978 378 T CB 0.472 69.369 68.868 0.049 0.000 0.930 378 T HN 0.867 nan 8.240 nan 0.000 0.447 379 Y N 1.412 121.714 120.300 0.004 0.000 2.764 379 Y HA 0.775 5.326 4.550 0.000 0.000 0.331 379 Y C -1.611 174.288 175.900 -0.002 0.000 1.280 379 Y CA -1.651 56.443 58.100 -0.011 0.000 1.065 379 Y CB 0.428 38.881 38.460 -0.011 0.000 1.319 379 Y HN 0.490 nan 8.280 nan 0.000 0.453 380 D N 0.609 120.887 120.400 -0.204 0.000 2.350 380 D HA 0.532 5.173 4.640 0.000 0.000 0.238 380 D C -1.346 174.600 176.300 -0.589 0.000 0.989 380 D CA -0.132 53.638 54.000 -0.383 0.000 0.921 380 D CB 1.775 42.520 40.800 -0.091 0.000 1.297 380 D HN 0.714 nan 8.370 nan 0.000 0.490 381 D N -0.863 119.052 120.400 -0.808 0.000 2.752 381 D HA 0.375 5.015 4.640 0.000 0.000 0.313 381 D C 0.349 176.083 176.300 -0.943 0.000 1.225 381 D CA -0.822 52.674 54.000 -0.839 0.000 0.976 381 D CB 0.444 41.114 40.800 -0.216 0.000 1.443 381 D HN 0.288 nan 8.370 nan 0.000 0.515 382 A N -0.508 121.961 122.820 -0.585 0.000 2.076 382 A HA -0.186 4.135 4.320 0.000 0.000 0.220 382 A C 1.855 179.456 177.584 0.028 0.000 1.160 382 A CA 2.367 54.275 52.037 -0.214 0.000 0.653 382 A CB -0.863 18.063 19.000 -0.123 0.000 0.801 382 A HN 0.636 nan 8.150 nan 0.000 0.455 383 E N 0.519 120.692 120.200 -0.045 0.000 2.033 383 E HA -0.119 4.231 4.350 0.000 0.000 0.189 383 E C 2.257 179.003 176.600 0.245 0.000 0.979 383 E CA 1.725 58.136 56.400 0.019 0.000 0.802 383 E CB -0.335 29.309 29.700 -0.093 0.000 0.763 383 E HN 0.606 nan 8.360 nan 0.000 0.449 384 S N -0.130 115.771 115.700 0.334 0.000 2.400 384 S HA -0.149 4.321 4.470 0.000 0.000 0.232 384 S C 1.832 176.712 174.600 0.468 0.000 1.025 384 S CA 0.942 59.422 58.200 0.467 0.000 0.993 384 S CB -0.661 62.633 63.200 0.156 0.000 0.808 384 S HN 0.238 nan 8.310 nan 0.000 0.478 385 F N 2.369 122.407 119.950 0.146 0.000 2.365 385 F HA 0.193 4.720 4.527 0.000 0.000 0.300 385 F C 2.247 178.065 175.800 0.030 0.000 1.090 385 F CA 0.006 58.084 58.000 0.129 0.000 1.408 385 F CB -0.747 38.340 39.000 0.144 0.000 1.060 385 F HN 0.297 nan 8.300 nan 0.000 0.534 386 K N -0.688 119.697 120.400 -0.026 0.000 2.002 386 K HA -0.192 4.128 4.320 0.000 0.000 0.209 386 K C 2.001 178.424 176.600 -0.296 0.000 1.048 386 K CA 1.744 57.671 56.287 -0.601 0.000 0.930 386 K CB -0.535 31.530 32.500 -0.726 0.000 0.714 386 K HN 0.193 nan 8.250 nan 0.000 0.438 387 Y N 1.419 121.759 120.300 0.066 0.000 2.224 387 Y HA -0.169 4.381 4.550 0.000 0.000 0.289 387 Y C 2.177 178.169 175.900 0.153 0.000 1.146 387 Y CA 1.262 59.449 58.100 0.143 0.000 1.182 387 Y CB -0.129 38.452 38.460 0.201 0.000 0.983 387 Y HN -0.009 nan 8.280 nan 0.000 0.524 388 K N -0.227 120.335 120.400 0.271 0.000 2.097 388 K HA -0.081 4.240 4.320 0.000 0.000 0.205 388 K C 2.412 179.150 176.600 0.232 0.000 1.050 388 K CA 0.952 57.365 56.287 0.211 0.000 0.938 388 K CB -0.338 32.263 32.500 0.168 0.000 0.718 388 K HN 0.261 nan 8.250 nan 0.000 0.442 389 A N 1.946 124.834 122.820 0.113 0.000 1.933 389 A HA -0.220 4.100 4.320 0.000 0.000 0.218 389 A C 2.052 179.737 177.584 0.168 0.000 1.175 389 A CA 1.704 53.731 52.037 -0.016 0.000 0.628 389 A CB -0.343 18.425 19.000 -0.387 0.000 0.814 389 A HN 0.230 nan 8.150 nan 0.000 0.444 390 K N -1.985 118.501 120.400 0.143 0.000 2.155 390 K HA -0.157 4.164 4.320 0.000 0.000 0.203 390 K C 1.860 178.614 176.600 0.255 0.000 1.052 390 K CA 1.339 57.737 56.287 0.185 0.000 0.948 390 K CB -0.342 32.236 32.500 0.129 0.000 0.728 390 K HN 0.517 nan 8.250 nan 0.000 0.448 391 Y N 1.355 121.762 120.300 0.178 0.000 2.181 391 Y HA -0.177 4.373 4.550 0.000 0.000 0.288 391 Y C 1.693 177.697 175.900 0.173 0.000 1.146 391 Y CA 1.616 59.821 58.100 0.175 0.000 1.164 391 Y CB -0.031 38.498 38.460 0.115 0.000 0.982 391 Y HN 0.003 nan 8.280 nan 0.000 0.515 392 I N 0.186 120.967 120.570 0.352 0.000 2.208 392 I HA -0.360 3.810 4.170 0.000 0.000 0.245 392 I C 2.271 178.495 176.117 0.179 0.000 1.097 392 I CA 1.746 63.215 61.300 0.282 0.000 1.363 392 I CB -0.379 37.882 38.000 0.434 0.000 1.051 392 I HN 0.219 nan 8.210 nan 0.000 0.413 393 K N 0.373 120.920 120.400 0.245 0.000 2.001 393 K HA -0.199 4.121 4.320 0.000 0.000 0.208 393 K C 2.165 178.813 176.600 0.080 0.000 1.048 393 K CA 1.343 57.737 56.287 0.178 0.000 0.932 393 K CB -0.291 32.342 32.500 0.223 0.000 0.715 393 K HN 0.355 nan 8.250 nan 0.000 0.437 394 Q N 0.589 120.420 119.800 0.053 0.000 2.045 394 Q HA -0.189 4.152 4.340 0.000 0.000 0.206 394 Q C 2.012 177.971 176.000 -0.067 0.000 0.991 394 Q CA 1.335 57.135 55.803 -0.005 0.000 0.851 394 Q CB 0.004 28.737 28.738 -0.008 0.000 0.911 394 Q HN 0.278 nan 8.270 nan 0.000 0.418 395 Q N 0.135 119.832 119.800 -0.172 0.000 2.444 395 Q HA -0.023 4.317 4.340 0.000 0.000 0.206 395 Q C -0.229 175.739 176.000 -0.054 0.000 0.948 395 Q CA 0.360 56.058 55.803 -0.175 0.000 0.946 395 Q CB 0.335 28.849 28.738 -0.374 0.000 1.027 395 Q HN 0.420 nan 8.270 nan 0.000 0.513 396 Q N 0.421 120.212 119.800 -0.015 0.000 2.460 396 Q HA -0.187 4.153 4.340 0.000 0.000 0.311 396 Q C -0.624 175.393 176.000 0.028 0.000 1.396 396 Q CA 0.264 56.077 55.803 0.017 0.000 0.838 396 Q CB -2.281 26.468 28.738 0.018 0.000 1.140 396 Q HN 0.355 nan 8.270 nan 0.000 0.415 397 L N -1.421 119.824 121.223 0.037 0.000 2.468 397 L HA 0.308 4.648 4.340 0.000 0.000 0.254 397 L C 1.875 178.771 176.870 0.043 0.000 1.171 397 L CA 0.344 55.218 54.840 0.057 0.000 0.809 397 L CB 0.225 42.337 42.059 0.087 0.000 1.155 397 L HN 0.352 nan 8.230 nan 0.000 0.473 398 G N -0.368 108.476 108.800 0.074 0.000 2.448 398 G HA2 0.287 4.247 3.960 0.000 0.000 0.219 398 G HA3 0.287 4.247 3.960 0.000 0.000 0.219 398 G C 0.597 175.458 174.900 -0.066 0.000 1.127 398 G CA 0.814 45.973 45.100 0.100 0.000 0.766 398 G HN 0.968 nan 8.290 nan 0.000 0.552 399 G N -2.145 106.593 108.800 -0.103 0.000 2.373 399 G HA2 0.354 4.314 3.960 0.000 0.000 0.250 399 G HA3 0.354 4.314 3.960 0.000 0.000 0.250 399 G C -1.648 173.220 174.900 -0.054 0.000 1.304 399 G CA 0.103 45.075 45.100 -0.214 0.000 0.948 399 G HN 0.813 nan 8.290 nan 0.000 0.474 400 V N 1.376 121.285 119.914 -0.007 0.000 2.823 400 V HA 0.884 5.004 4.120 0.000 0.000 0.312 400 V C -0.409 175.745 176.094 0.100 0.000 1.072 400 V CA -0.694 61.689 62.300 0.138 0.000 0.937 400 V CB 1.734 33.747 31.823 0.316 0.000 1.013 400 V HN 1.107 nan 8.190 nan 0.000 0.430 401 M N 6.563 126.251 119.600 0.145 0.000 2.644 401 M HA 0.699 5.179 4.480 0.000 0.000 0.304 401 M C -2.042 174.434 176.300 0.293 0.000 1.215 401 M CA -0.542 54.832 55.300 0.123 0.000 0.871 401 M CB 2.113 34.805 32.600 0.153 0.000 1.740 401 M HN 0.767 nan 8.290 nan 0.000 0.464 402 F N 0.979 121.011 119.950 0.137 0.000 2.654 402 F HA 0.750 5.277 4.527 0.000 0.000 0.308 402 F C -2.184 173.651 175.800 0.060 0.000 1.108 402 F CA -1.096 56.913 58.000 0.015 0.000 0.957 402 F CB 1.189 39.942 39.000 -0.411 0.000 1.309 402 F HN 0.678 nan 8.300 nan 0.000 0.446 403 W N 4.948 126.316 121.300 0.113 0.000 2.499 403 W HA 0.537 5.197 4.660 0.000 0.000 0.320 403 W C -2.024 174.604 176.519 0.182 0.000 1.010 403 W CA -0.648 56.760 57.345 0.105 0.000 1.267 403 W CB 1.538 31.000 29.460 0.003 0.000 1.316 403 W HN 1.036 nan 8.180 nan 0.000 0.431 404 H N 2.344 121.187 119.070 -0.378 0.000 3.008 404 H HA 0.341 4.897 4.556 0.000 0.000 0.354 404 H C 0.542 175.661 175.328 -0.349 0.000 1.252 404 H CA -0.892 54.767 56.048 -0.648 0.000 1.117 404 H CB 1.280 30.103 29.762 -1.565 0.000 1.857 404 H HN 0.270 nan 8.280 nan 0.000 0.547 405 L N 0.835 122.036 121.223 -0.037 0.000 2.030 405 L HA -0.221 4.120 4.340 0.000 0.000 0.222 405 L C 2.389 178.953 176.870 -0.511 0.000 1.082 405 L CA 2.205 57.064 54.840 0.032 0.000 0.785 405 L CB -0.702 41.505 42.059 0.247 0.000 0.895 405 L HN 1.067 nan 8.230 nan 0.000 0.439 406 G N -1.726 106.794 108.800 -0.467 0.000 2.564 406 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 406 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 406 G C 1.253 175.741 174.900 -0.687 0.000 1.124 406 G CA 0.368 44.994 45.100 -0.789 0.000 0.764 406 G HN 0.525 nan 8.290 nan 0.000 0.550 407 Q N -0.493 118.913 119.800 -0.657 0.000 2.282 407 Q HA 0.122 4.462 4.340 0.000 0.000 0.206 407 Q C 0.107 176.143 176.000 0.059 0.000 0.878 407 Q CA -0.474 55.194 55.803 -0.225 0.000 0.944 407 Q CB 0.571 29.200 28.738 -0.182 0.000 1.100 407 Q HN 0.264 nan 8.270 nan 0.000 0.509 408 D N 1.445 121.884 120.400 0.064 0.000 2.358 408 D HA -0.005 4.635 4.640 0.000 0.000 0.244 408 D C -0.163 176.307 176.300 0.282 0.000 1.163 408 D CA -0.224 53.885 54.000 0.182 0.000 0.945 408 D CB 0.704 41.633 40.800 0.214 0.000 1.152 408 D HN 0.109 nan 8.370 nan 0.000 0.451 409 N N 0.858 119.723 118.700 0.275 0.000 2.354 409 N HA -0.005 4.736 4.740 0.000 0.000 0.246 409 N C 0.934 176.604 175.510 0.268 0.000 1.285 409 N CA -0.222 52.965 53.050 0.228 0.000 0.925 409 N CB 0.444 39.029 38.487 0.163 0.000 1.174 409 N HN 0.247 nan 8.380 nan 0.000 0.478 410 R N -0.113 120.486 120.500 0.166 0.000 2.139 410 R HA -0.104 4.237 4.340 0.000 0.000 0.243 410 R C 0.454 176.805 176.300 0.084 0.000 1.145 410 R CA 1.206 57.359 56.100 0.087 0.000 0.976 410 R CB -0.502 29.802 30.300 0.006 0.000 0.866 410 R HN 0.632 nan 8.270 nan 0.000 0.449 411 N N -0.471 118.282 118.700 0.088 0.000 2.463 411 N HA -0.036 4.704 4.740 0.000 0.000 0.181 411 N C 0.692 176.260 175.510 0.098 0.000 1.078 411 N CA 1.039 54.130 53.050 0.068 0.000 0.902 411 N CB 0.260 38.772 38.487 0.042 0.000 0.970 411 N HN 0.370 nan 8.380 nan 0.000 0.451 412 G N 1.718 110.613 108.800 0.158 0.000 2.272 412 G HA2 -0.238 3.722 3.960 0.000 0.000 0.280 412 G HA3 -0.238 3.722 3.960 0.000 0.000 0.280 412 G C 0.386 175.311 174.900 0.041 0.000 1.067 412 G CA 0.343 45.538 45.100 0.159 0.000 0.902 412 G HN 0.216 nan 8.290 nan 0.000 0.500 413 D N -0.184 120.216 120.400 0.001 0.000 2.144 413 D HA -0.064 4.576 4.640 0.000 0.000 0.200 413 D C 2.752 178.934 176.300 -0.197 0.000 0.978 413 D CA 0.942 54.897 54.000 -0.076 0.000 0.833 413 D CB 0.026 40.802 40.800 -0.040 0.000 0.961 413 D HN 0.549 nan 8.370 nan 0.000 0.470 414 L N 0.261 121.282 121.223 -0.337 0.000 1.994 414 L HA -0.170 4.170 4.340 0.000 0.000 0.208 414 L C 2.495 179.211 176.870 -0.256 0.000 1.071 414 L CA 0.691 55.220 54.840 -0.519 0.000 0.745 414 L CB -0.511 40.784 42.059 -1.274 0.000 0.892 414 L HN 0.106 nan 8.230 nan 0.000 0.431 415 L N 0.512 121.658 121.223 -0.129 0.000 2.017 415 L HA -0.143 4.197 4.340 0.000 0.000 0.208 415 L C 2.622 179.467 176.870 -0.041 0.000 1.073 415 L CA 2.099 56.929 54.840 -0.017 0.000 0.745 415 L CB -0.859 41.277 42.059 0.129 0.000 0.894 415 L HN 0.136 nan 8.230 nan 0.000 0.432 416 A N -0.285 122.496 122.820 -0.066 0.000 1.940 416 A HA -0.104 4.216 4.320 0.000 0.000 0.219 416 A C 2.473 179.904 177.584 -0.255 0.000 1.176 416 A CA 2.014 53.988 52.037 -0.104 0.000 0.631 416 A CB -1.245 17.707 19.000 -0.081 0.000 0.814 416 A HN 0.652 nan 8.150 nan 0.000 0.446 417 A N 0.040 122.651 122.820 -0.348 0.000 1.851 417 A HA -0.115 4.205 4.320 0.000 0.000 0.216 417 A C 2.175 179.179 177.584 -0.968 0.000 1.195 417 A CA 1.607 53.206 52.037 -0.731 0.000 0.622 417 A CB -0.836 17.860 19.000 -0.506 0.000 0.831 417 A HN 0.481 nan 8.150 nan 0.000 0.444 418 L N -0.514 120.429 121.223 -0.467 0.000 1.997 418 L HA -0.293 4.047 4.340 0.000 0.000 0.216 418 L C 2.517 179.271 176.870 -0.193 0.000 1.074 418 L CA 2.223 56.887 54.840 -0.293 0.000 0.763 418 L CB -0.807 41.223 42.059 -0.048 0.000 0.890 418 L HN 0.618 nan 8.230 nan 0.000 0.434 419 D N -0.255 120.104 120.400 -0.069 0.000 2.178 419 D HA -0.240 4.400 4.640 0.000 0.000 0.201 419 D C 2.291 178.567 176.300 -0.041 0.000 0.980 419 D CA 1.161 55.191 54.000 0.051 0.000 0.842 419 D CB 0.027 40.858 40.800 0.051 0.000 0.948 419 D HN 0.119 nan 8.370 nan 0.000 0.472 420 R N -1.113 119.232 120.500 -0.258 0.000 2.066 420 R HA -0.174 4.166 4.340 0.000 0.000 0.232 420 R C 1.729 177.876 176.300 -0.255 0.000 1.131 420 R CA 1.200 57.135 56.100 -0.275 0.000 0.955 420 R CB -0.445 29.591 30.300 -0.440 0.000 0.851 420 R HN 0.248 nan 8.270 nan 0.000 0.432 421 Y N -0.435 119.582 120.300 -0.471 0.000 2.403 421 Y HA -0.106 4.444 4.550 0.000 0.000 0.291 421 Y C 1.628 177.392 175.900 -0.228 0.000 1.143 421 Y CA 0.605 58.339 58.100 -0.611 0.000 1.257 421 Y CB -0.294 37.727 38.460 -0.730 0.000 0.984 421 Y HN 0.075 nan 8.280 nan 0.000 0.550 422 F N -0.973 119.070 119.950 0.156 0.000 2.437 422 F HA 0.092 4.620 4.527 0.000 0.000 0.288 422 F C 1.714 177.589 175.800 0.126 0.000 1.085 422 F CA 0.482 58.570 58.000 0.146 0.000 1.430 422 F CB -0.170 38.891 39.000 0.102 0.000 1.120 422 F HN -0.014 nan 8.300 nan 0.000 0.556 423 N N -0.204 118.661 118.700 0.274 0.000 2.317 423 N HA 0.218 4.958 4.740 0.000 0.000 0.199 423 N C 0.598 176.196 175.510 0.148 0.000 1.145 423 N CA 0.344 53.507 53.050 0.188 0.000 0.882 423 N CB 0.215 38.792 38.487 0.150 0.000 1.113 423 N HN -0.002 nan 8.380 nan 0.000 0.486 424 A N 1.135 124.040 122.820 0.142 0.000 2.524 424 A HA 0.434 4.755 4.320 0.000 0.000 0.250 424 A C 1.418 179.096 177.584 0.157 0.000 1.078 424 A CA 0.343 52.460 52.037 0.134 0.000 0.761 424 A CB 0.288 19.365 19.000 0.128 0.000 1.012 424 A HN 0.290 nan 8.150 nan 0.000 0.500 425 A N 2.380 125.266 122.820 0.110 0.000 1.969 425 A HA -0.078 4.243 4.320 0.000 0.000 0.218 425 A C 1.425 179.062 177.584 0.089 0.000 1.169 425 A CA 1.694 53.785 52.037 0.091 0.000 0.635 425 A CB -0.357 18.682 19.000 0.065 0.000 0.810 425 A HN 0.883 nan 8.150 nan 0.000 0.445 426 D N -2.515 117.945 120.400 0.100 0.000 2.328 426 D HA 0.038 4.678 4.640 0.000 0.000 0.226 426 D C 0.108 176.489 176.300 0.134 0.000 1.066 426 D CA -0.233 53.821 54.000 0.090 0.000 0.861 426 D CB -0.494 40.351 40.800 0.074 0.000 0.912 426 D HN 0.431 nan 8.370 nan 0.000 0.521 427 Y N 1.051 121.379 120.300 0.047 0.000 2.342 427 Y HA 0.463 5.013 4.550 0.001 0.000 0.334 427 Y C -1.339 174.584 175.900 0.039 0.000 1.067 427 Y CA -1.436 56.698 58.100 0.057 0.000 1.128 427 Y CB 1.484 40.012 38.460 0.112 0.000 1.200 427 Y HN -0.201 nan 8.280 nan 0.000 0.464 428 D N 4.322 124.269 120.400 -0.755 0.000 2.602 428 D HA 0.162 4.802 4.640 0.000 0.000 0.245 428 D C -1.045 174.825 176.300 -0.717 0.000 1.325 428 D CA -0.557 53.106 54.000 -0.562 0.000 0.952 428 D CB 1.007 41.654 40.800 -0.255 0.000 1.317 428 D HN 0.715 nan 8.370 nan 0.000 0.577 429 D N 1.123 121.173 120.400 -0.583 0.000 2.462 429 D HA 0.011 4.651 4.640 0.000 0.000 0.221 429 D C 1.234 177.434 176.300 -0.167 0.000 1.173 429 D CA -0.017 53.758 54.000 -0.375 0.000 0.831 429 D CB 0.107 40.761 40.800 -0.244 0.000 1.001 429 D HN 0.160 nan 8.370 nan 0.000 0.499 430 S N -0.054 115.564 115.700 -0.136 0.000 2.419 430 S HA -0.250 4.220 4.470 0.000 0.000 0.235 430 S C 1.604 176.176 174.600 -0.047 0.000 1.019 430 S CA 0.863 59.026 58.200 -0.063 0.000 0.982 430 S CB -0.278 62.891 63.200 -0.052 0.000 0.789 430 S HN 0.164 nan 8.310 nan 0.000 0.490 431 Q N 0.171 119.930 119.800 -0.069 0.000 2.352 431 Q HA 0.392 4.732 4.340 0.000 0.000 0.212 431 Q C 0.257 176.239 176.000 -0.030 0.000 0.888 431 Q CA -0.238 55.540 55.803 -0.042 0.000 0.934 431 Q CB -0.335 28.375 28.738 -0.048 0.000 1.093 431 Q HN 0.554 nan 8.270 nan 0.000 0.523 432 L N 3.303 124.489 121.223 -0.062 0.000 2.628 432 L HA -0.037 4.303 4.340 0.000 0.000 0.274 432 L C 0.049 176.960 176.870 0.069 0.000 1.209 432 L CA 0.572 55.383 54.840 -0.048 0.000 0.930 432 L CB 0.206 42.169 42.059 -0.160 0.000 1.183 432 L HN -0.037 nan 8.230 nan 0.000 0.492 433 D N 5.668 126.154 120.400 0.143 0.000 2.325 433 D HA 0.022 4.662 4.640 0.000 0.000 0.251 433 D C 0.823 177.324 176.300 0.335 0.000 1.196 433 D CA -0.410 53.703 54.000 0.188 0.000 0.866 433 D CB 1.042 41.928 40.800 0.144 0.000 1.101 433 D HN 0.580 nan 8.370 nan 0.000 0.476 434 M N 2.616 122.384 119.600 0.280 0.000 2.686 434 M HA 0.123 4.604 4.480 0.000 0.000 0.246 434 M C 1.265 177.667 176.300 0.170 0.000 1.096 434 M CA 0.341 55.853 55.300 0.353 0.000 1.076 434 M CB -1.375 31.422 32.600 0.329 0.000 1.504 434 M HN 0.670 nan 8.290 nan 0.000 0.524 435 G N 0.684 109.538 108.800 0.090 0.000 2.760 435 G HA2 -0.217 3.743 3.960 0.000 0.000 0.246 435 G HA3 -0.217 3.743 3.960 0.000 0.000 0.246 435 G C 0.265 175.109 174.900 -0.093 0.000 1.359 435 G CA 0.039 45.143 45.100 0.007 0.000 0.861 435 G HN 0.394 nan 8.290 nan 0.000 0.541 436 T N -1.349 113.157 114.554 -0.081 0.000 3.134 436 T HA 0.576 4.927 4.350 0.000 0.000 0.260 436 T C 1.383 176.011 174.700 -0.121 0.000 1.027 436 T CA 1.074 63.113 62.100 -0.101 0.000 0.913 436 T CB 0.440 69.281 68.868 -0.044 0.000 1.046 436 T HN 1.964 nan 8.240 nan 0.000 0.553 437 G N 1.763 110.475 108.800 -0.146 0.000 2.630 437 G HA2 0.414 4.374 3.960 0.000 0.000 0.236 437 G HA3 0.414 4.374 3.960 0.000 0.000 0.236 437 G C 0.001 174.849 174.900 -0.087 0.000 1.248 437 G CA -0.705 44.360 45.100 -0.057 0.000 0.844 437 G HN 0.587 nan 8.290 nan 0.000 0.588 438 L N 1.071 122.316 121.223 0.037 0.000 2.462 438 L HA 0.233 4.573 4.340 0.000 0.000 0.272 438 L C 0.741 177.713 176.870 0.171 0.000 1.166 438 L CA -0.382 54.496 54.840 0.063 0.000 0.880 438 L CB 0.327 42.434 42.059 0.080 0.000 1.142 438 L HN 0.384 nan 8.230 nan 0.000 0.473 439 R N 1.956 122.530 120.500 0.123 0.000 2.486 439 R HA 0.270 4.610 4.340 0.000 0.000 0.286 439 R C -0.791 175.658 176.300 0.249 0.000 0.999 439 R CA -0.591 55.667 56.100 0.263 0.000 0.993 439 R CB 0.651 31.052 30.300 0.168 0.000 1.084 439 R HN 0.303 nan 8.270 nan 0.000 0.487 440 Y N 1.269 121.700 120.300 0.219 0.000 2.480 440 Y HA 0.098 4.648 4.550 0.000 0.000 0.341 440 Y C 0.496 176.463 175.900 0.111 0.000 1.031 440 Y CA 0.394 58.589 58.100 0.160 0.000 1.295 440 Y CB 0.763 39.324 38.460 0.167 0.000 1.162 440 Y HN 0.691 nan 8.280 nan 0.000 0.523 441 T N 1.864 116.243 114.554 -0.291 0.000 3.228 441 T HA 0.311 4.661 4.350 0.000 0.000 0.278 441 T C 0.726 175.273 174.700 -0.255 0.000 1.014 441 T CA -0.107 61.896 62.100 -0.162 0.000 0.904 441 T CB -0.300 68.509 68.868 -0.098 0.000 1.110 441 T HN 0.822 nan 8.240 nan 0.000 0.541 442 G N 1.036 109.538 108.800 -0.496 0.000 2.414 442 G HA2 0.437 4.398 3.960 0.000 0.000 0.236 442 G HA3 0.437 4.398 3.960 0.000 0.000 0.236 442 G C -0.594 174.239 174.900 -0.112 0.000 1.293 442 G CA -0.146 44.767 45.100 -0.312 0.000 0.869 442 G HN 0.422 nan 8.290 nan 0.000 0.556 443 V N 2.452 122.263 119.914 -0.172 0.000 2.443 443 V HA 0.680 4.801 4.120 0.000 0.000 0.293 443 V C 0.788 176.737 176.094 -0.241 0.000 1.021 443 V CA -0.167 62.045 62.300 -0.148 0.000 0.848 443 V CB 1.320 33.062 31.823 -0.134 0.000 0.998 443 V HN 1.049 nan 8.190 nan 0.000 0.424 444 G N 4.418 113.075 108.800 -0.238 0.000 2.509 444 G HA2 0.603 4.563 3.960 0.000 0.000 0.328 444 G HA3 0.603 4.563 3.960 0.000 0.000 0.328 444 G C -1.589 173.015 174.900 -0.493 0.000 1.194 444 G CA -1.494 43.336 45.100 -0.451 0.000 0.967 444 G HN 0.481 nan 8.290 nan 0.000 0.488 445 P HA -0.080 nan 4.420 nan 0.000 0.229 445 P C 1.432 178.546 177.300 -0.311 0.000 1.150 445 P CA 1.365 64.109 63.100 -0.594 0.000 0.765 445 P CB 0.193 31.392 31.700 -0.833 0.000 0.783 446 G N 1.278 109.947 108.800 -0.219 0.000 2.441 446 G HA2 -0.121 3.839 3.960 0.000 0.000 0.212 446 G HA3 -0.121 3.839 3.960 0.000 0.000 0.212 446 G C 1.002 175.882 174.900 -0.032 0.000 1.164 446 G CA 0.013 45.083 45.100 -0.050 0.000 0.811 446 G HN 0.368 nan 8.290 nan 0.000 0.535 447 N N 0.836 119.510 118.700 -0.045 0.000 2.558 447 N HA 0.200 4.940 4.740 0.000 0.000 0.281 447 N C -0.414 175.064 175.510 -0.054 0.000 1.219 447 N CA -0.435 52.601 53.050 -0.024 0.000 0.942 447 N CB 0.429 38.924 38.487 0.015 0.000 1.241 447 N HN -0.049 nan 8.380 nan 0.000 0.511 448 L N 2.411 123.589 121.223 -0.075 0.000 2.490 448 L HA 0.261 4.601 4.340 0.000 0.000 0.274 448 L C -1.727 175.106 176.870 -0.062 0.000 1.201 448 L CA -1.366 53.423 54.840 -0.085 0.000 0.869 448 L CB 0.035 42.048 42.059 -0.077 0.000 1.123 448 L HN 0.250 nan 8.230 nan 0.000 0.484 449 P HA 0.161 nan 4.420 nan 0.000 0.276 449 P C -0.483 176.784 177.300 -0.056 0.000 1.252 449 P CA -0.656 62.414 63.100 -0.049 0.000 0.802 449 P CB 1.000 32.674 31.700 -0.043 0.000 1.035 450 I N 1.945 122.485 120.570 -0.049 0.000 2.556 450 I HA 0.185 4.356 4.170 0.000 0.000 0.284 450 I C 0.962 177.053 176.117 -0.043 0.000 1.114 450 I CA 0.581 61.848 61.300 -0.054 0.000 1.418 450 I CB -0.415 37.558 38.000 -0.045 0.000 1.394 450 I HN 0.401 nan 8.210 nan 0.000 0.552 451 M N 4.426 123.999 119.600 -0.045 0.000 2.667 451 M HA 0.422 4.902 4.480 0.000 0.000 0.286 451 M C -0.662 175.627 176.300 -0.018 0.000 1.270 451 M CA -0.567 54.716 55.300 -0.028 0.000 0.826 451 M CB 2.833 35.416 32.600 -0.028 0.000 1.743 451 M HN 0.406 nan 8.290 nan 0.000 0.460 452 T N 1.212 115.765 114.554 -0.001 0.000 2.881 452 T HA 0.857 5.207 4.350 0.000 0.000 0.290 452 T C -1.423 173.294 174.700 0.029 0.000 1.000 452 T CA -0.714 61.392 62.100 0.010 0.000 0.978 452 T CB 1.638 70.511 68.868 0.008 0.000 0.997 452 T HN 0.739 nan 8.240 nan 0.000 0.443 453 A N 4.066 126.912 122.820 0.043 0.000 2.594 453 A HA 0.808 5.128 4.320 0.000 0.000 0.296 453 A C -3.169 174.460 177.584 0.075 0.000 1.061 453 A CA -1.623 50.454 52.037 0.066 0.000 0.689 453 A CB 0.801 19.851 19.000 0.085 0.000 1.280 453 A HN 0.556 nan 8.150 nan 0.000 0.406 454 P HA 0.332 nan 4.420 nan 0.000 0.266 454 P C 0.255 177.616 177.300 0.102 0.000 1.193 454 P CA 0.465 63.617 63.100 0.086 0.000 0.770 454 P CB 0.539 32.298 31.700 0.098 0.000 0.836 455 A N 2.988 125.865 122.820 0.095 0.000 2.466 455 A HA 0.104 4.425 4.320 0.000 0.000 0.238 455 A C -0.190 177.473 177.584 0.132 0.000 1.074 455 A CA -0.074 52.038 52.037 0.125 0.000 0.774 455 A CB -0.527 18.538 19.000 0.107 0.000 1.015 455 A HN 0.586 nan 8.150 nan 0.000 0.498 456 Y N 1.671 121.976 120.300 0.008 0.000 2.480 456 Y HA 0.393 4.943 4.550 0.000 0.000 0.338 456 Y C -0.282 175.627 175.900 0.015 0.000 1.220 456 Y CA 0.108 58.142 58.100 -0.110 0.000 1.430 456 Y CB 0.587 38.743 38.460 -0.506 0.000 1.311 456 Y HN 0.375 nan 8.280 nan 0.000 0.575 457 V N 8.032 127.451 119.914 -0.825 0.000 2.443 457 V HA 0.326 4.446 4.120 0.000 0.000 0.293 457 V C -2.305 173.235 176.094 -0.923 0.000 1.021 457 V CA -2.115 59.804 62.300 -0.634 0.000 0.848 457 V CB 1.337 33.010 31.823 -0.250 0.000 0.998 457 V HN 0.737 nan 8.190 nan 0.000 0.424 458 P HA 0.241 nan 4.420 nan 0.000 0.266 458 P C 1.034 178.248 177.300 -0.144 0.000 1.195 458 P CA 1.276 64.211 63.100 -0.276 0.000 0.768 458 P CB 0.708 32.382 31.700 -0.043 0.000 0.838 459 G N 1.017 109.801 108.800 -0.027 0.000 2.179 459 G HA2 -0.212 3.748 3.960 0.000 0.000 0.260 459 G HA3 -0.212 3.748 3.960 0.000 0.000 0.260 459 G C 0.272 175.140 174.900 -0.054 0.000 0.977 459 G CA 0.192 45.281 45.100 -0.019 0.000 0.641 459 G HN 0.611 nan 8.290 nan 0.000 0.533 460 T N 1.490 115.981 114.554 -0.105 0.000 2.909 460 T HA 0.584 4.934 4.350 0.000 0.000 0.286 460 T C 0.250 174.845 174.700 -0.174 0.000 1.002 460 T CA 0.447 62.410 62.100 -0.229 0.000 1.074 460 T CB 1.598 70.190 68.868 -0.460 0.000 0.984 460 T HN 0.207 nan 8.240 nan 0.000 0.495 461 T N 3.047 117.462 114.554 -0.231 0.000 2.771 461 T HA 0.463 4.814 4.350 0.000 0.000 0.281 461 T C -0.931 173.614 174.700 -0.257 0.000 0.982 461 T CA -0.400 61.644 62.100 -0.093 0.000 0.978 461 T CB 0.238 69.108 68.868 0.004 0.000 0.930 461 T HN 0.384 nan 8.240 nan 0.000 0.447 462 Y N 1.321 121.628 120.300 0.012 0.000 2.387 462 Y HA 0.601 5.151 4.550 0.000 0.000 0.336 462 Y C 0.628 176.430 175.900 -0.163 0.000 1.067 462 Y CA -0.986 57.088 58.100 -0.043 0.000 1.114 462 Y CB 1.136 39.602 38.460 0.010 0.000 1.208 462 Y HN 0.794 nan 8.280 nan 0.000 0.458 463 A N 2.656 125.472 122.820 -0.007 0.000 2.271 463 A HA 0.264 4.584 4.320 0.000 0.000 0.288 463 A C -0.147 177.384 177.584 -0.088 0.000 1.094 463 A CA -0.746 51.224 52.037 -0.111 0.000 0.828 463 A CB 0.529 19.468 19.000 -0.102 0.000 1.091 463 A HN 0.735 nan 8.150 nan 0.000 0.493 464 Q N -0.228 119.516 119.800 -0.094 0.000 2.361 464 Q HA 0.297 4.638 4.340 0.000 0.000 0.276 464 Q C 1.091 177.057 176.000 -0.058 0.000 1.022 464 Q CA 1.539 57.291 55.803 -0.085 0.000 0.898 464 Q CB 0.441 29.173 28.738 -0.011 0.000 1.246 464 Q HN 1.826 nan 8.270 nan 0.000 0.410 465 G N 2.204 110.960 108.800 -0.074 0.000 2.179 465 G HA2 -0.306 3.655 3.960 0.000 0.000 0.260 465 G HA3 -0.306 3.655 3.960 0.000 0.000 0.260 465 G C 0.203 175.107 174.900 0.006 0.000 0.977 465 G CA 0.210 45.296 45.100 -0.024 0.000 0.641 465 G HN 0.985 nan 8.290 nan 0.000 0.533 466 A N -0.148 122.671 122.820 -0.001 0.000 2.462 466 A HA 0.679 4.999 4.320 0.000 0.000 0.243 466 A C 0.295 177.966 177.584 0.145 0.000 1.076 466 A CA 0.416 52.511 52.037 0.097 0.000 0.773 466 A CB 0.357 19.477 19.000 0.200 0.000 1.010 466 A HN 0.954 nan 8.150 nan 0.000 0.493 467 L N 2.388 123.717 121.223 0.176 0.000 2.346 467 L HA 0.722 5.062 4.340 0.000 0.000 0.274 467 L C -0.223 176.753 176.870 0.177 0.000 1.007 467 L CA -0.698 54.260 54.840 0.196 0.000 0.818 467 L CB 2.035 44.170 42.059 0.127 0.000 1.284 467 L HN 0.710 nan 8.230 nan 0.000 0.424 468 V N -0.843 119.168 119.914 0.162 0.000 3.147 468 V HA 0.813 4.933 4.120 0.000 0.000 0.306 468 V C -0.501 175.682 176.094 0.149 0.000 1.209 468 V CA -0.706 61.644 62.300 0.083 0.000 1.023 468 V CB 1.984 33.734 31.823 -0.122 0.000 1.059 468 V HN 0.744 nan 8.190 nan 0.000 0.435 469 S N 1.897 117.694 115.700 0.161 0.000 2.475 469 S HA 0.863 5.334 4.470 0.000 0.000 0.298 469 S C -1.112 173.677 174.600 0.314 0.000 1.119 469 S CA -0.547 57.781 58.200 0.213 0.000 1.085 469 S CB 1.372 64.644 63.200 0.119 0.000 1.028 469 S HN 1.834 nan 8.310 nan 0.000 0.489 470 Y N 1.577 122.014 120.300 0.228 0.000 2.333 470 Y HA 0.247 4.797 4.550 0.000 0.000 0.319 470 Y C -0.575 175.491 175.900 0.277 0.000 1.200 470 Y CA -0.481 57.701 58.100 0.137 0.000 1.084 470 Y CB 0.990 39.329 38.460 -0.202 0.000 1.268 470 Y HN 0.979 nan 8.280 nan 0.000 0.422 471 Q N 4.352 123.957 119.800 -0.325 0.000 2.468 471 Q HA -0.231 4.109 4.340 0.000 0.000 0.289 471 Q C 1.006 177.005 176.000 -0.002 0.000 1.299 471 Q CA 1.364 57.023 55.803 -0.240 0.000 0.838 471 Q CB -1.717 26.790 28.738 -0.386 0.000 1.195 471 Q HN 1.698 nan 8.270 nan 0.000 0.456 472 G N -1.997 106.756 108.800 -0.079 0.000 2.176 472 G HA2 -0.331 3.629 3.960 0.000 0.000 0.253 472 G HA3 -0.331 3.629 3.960 0.000 0.000 0.253 472 G C -0.284 174.282 174.900 -0.556 0.000 0.979 472 G CA 0.472 45.391 45.100 -0.301 0.000 0.641 472 G HN 0.403 nan 8.290 nan 0.000 0.530 473 Y N -1.552 118.719 120.300 -0.049 0.000 2.634 473 Y HA 0.657 5.207 4.550 0.000 0.000 0.340 473 Y C 0.127 175.882 175.900 -0.242 0.000 1.058 473 Y CA -1.198 56.731 58.100 -0.285 0.000 1.081 473 Y CB 2.030 40.041 38.460 -0.748 0.000 1.295 473 Y HN 0.093 nan 8.280 nan 0.000 0.487 474 V N 1.484 121.294 119.914 -0.172 0.000 2.384 474 V HA 0.298 4.418 4.120 0.000 0.000 0.287 474 V C -1.301 174.685 176.094 -0.179 0.000 1.020 474 V CA -0.854 61.413 62.300 -0.054 0.000 0.850 474 V CB 0.195 32.005 31.823 -0.023 0.000 0.987 474 V HN 0.611 nan 8.190 nan 0.000 0.436 475 W N 2.809 124.120 121.300 0.018 0.000 2.639 475 W HA 0.752 5.412 4.660 0.000 0.000 0.347 475 W C -0.027 176.645 176.519 0.255 0.000 1.067 475 W CA -0.700 56.698 57.345 0.088 0.000 1.218 475 W CB 1.123 30.569 29.460 -0.022 0.000 1.393 475 W HN 0.432 nan 8.180 nan 0.000 0.557 476 Q N 1.141 121.235 119.800 0.490 0.000 2.347 476 Q HA 0.421 4.762 4.340 0.000 0.000 0.271 476 Q C -0.323 175.703 176.000 0.043 0.000 1.064 476 Q CA -0.610 55.358 55.803 0.275 0.000 0.800 476 Q CB 1.973 30.780 28.738 0.115 0.000 1.304 476 Q HN 0.571 nan 8.270 nan 0.000 0.438 477 T N 0.685 115.035 114.554 -0.339 0.000 2.870 477 T HA 0.254 4.605 4.350 0.000 0.000 0.300 477 T C 0.359 174.819 174.700 -0.399 0.000 0.989 477 T CA -0.375 61.287 62.100 -0.729 0.000 1.139 477 T CB 0.867 69.195 68.868 -0.899 0.000 0.920 477 T HN 0.681 nan 8.240 nan 0.000 0.537 478 K N 1.947 122.072 120.400 -0.457 0.000 2.404 478 K HA 0.264 4.584 4.320 0.000 0.000 0.194 478 K C -0.228 176.459 176.600 0.144 0.000 1.023 478 K CA -0.237 55.990 56.287 -0.099 0.000 1.094 478 K CB 0.101 32.631 32.500 0.050 0.000 0.841 478 K HN 0.856 nan 8.250 nan 0.000 0.523 479 W N -1.831 119.386 121.300 -0.138 0.000 2.895 479 W HA 0.583 5.243 4.660 0.001 0.000 0.377 479 W C -0.527 175.918 176.519 -0.124 0.000 1.191 479 W CA -1.434 55.850 57.345 -0.100 0.000 1.179 479 W CB -0.059 29.362 29.460 -0.064 0.000 1.469 479 W HN -0.162 nan 8.180 nan 0.000 0.577 480 G N -0.929 108.007 108.800 0.227 0.000 2.557 480 G HA2 0.462 4.423 3.960 0.000 0.000 0.302 480 G HA3 0.462 4.423 3.960 0.000 0.000 0.302 480 G C -1.116 173.889 174.900 0.174 0.000 1.311 480 G CA -0.635 44.487 45.100 0.038 0.000 1.030 480 G HN 1.052 nan 8.290 nan 0.000 0.509 481 Y N -2.605 117.732 120.300 0.063 0.000 3.491 481 Y HA -0.205 4.345 4.550 0.000 0.000 0.215 481 Y C 0.809 176.751 175.900 0.069 0.000 1.219 481 Y CA 0.522 58.661 58.100 0.064 0.000 1.485 481 Y CB -2.041 36.464 38.460 0.075 0.000 1.450 481 Y HN 0.643 nan 8.280 nan 0.000 0.603 482 I N -0.600 120.028 120.570 0.097 0.000 2.325 482 I HA 0.456 4.627 4.170 0.000 0.000 0.291 482 I C 1.042 177.263 176.117 0.173 0.000 1.019 482 I CA 0.671 61.989 61.300 0.030 0.000 1.302 482 I CB 1.447 39.227 38.000 -0.366 0.000 1.401 482 I HN 0.223 nan 8.210 nan 0.000 0.485 483 T N 1.420 116.086 114.554 0.186 0.000 3.044 483 T HA 0.286 4.636 4.350 0.000 0.000 0.260 483 T C 0.568 175.408 174.700 0.232 0.000 1.019 483 T CA 0.219 62.452 62.100 0.221 0.000 0.921 483 T CB -0.690 68.269 68.868 0.153 0.000 1.053 483 T HN 0.720 nan 8.240 nan 0.000 0.533 484 S N 1.193 117.017 115.700 0.207 0.000 2.632 484 S HA 0.795 5.266 4.470 0.000 0.000 0.271 484 S C 0.328 174.984 174.600 0.092 0.000 1.260 484 S CA -0.775 57.508 58.200 0.139 0.000 1.010 484 S CB 1.147 64.405 63.200 0.097 0.000 0.965 484 S HN 0.616 nan 8.310 nan 0.000 0.534 485 A N 1.672 124.348 122.820 -0.240 0.000 2.322 485 A HA 0.695 5.015 4.320 0.000 0.000 0.269 485 A C -2.650 174.244 177.584 -1.150 0.000 1.094 485 A CA -1.969 49.471 52.037 -0.995 0.000 0.807 485 A CB -0.610 17.873 19.000 -0.861 0.000 1.047 485 A HN 0.658 nan 8.150 nan 0.000 0.487 486 P HA 0.456 nan 4.420 nan 0.000 0.271 486 P C 0.811 177.219 177.300 -1.488 0.000 1.216 486 P CA 1.193 62.967 63.100 -2.210 0.000 0.776 486 P CB 1.148 31.065 31.700 -2.973 0.000 0.881 487 G N 0.676 108.684 108.800 -1.320 0.000 1.930 487 G HA2 0.020 3.980 3.960 0.000 0.000 0.054 487 G HA3 0.020 3.980 3.960 0.000 0.000 0.054 487 G C 1.433 176.228 174.900 -0.174 0.000 0.902 487 G CA 0.425 45.124 45.100 -0.669 0.000 1.168 487 G HN 0.454 nan 8.290 nan 0.000 0.383 488 S N 0.737 116.381 115.700 -0.092 0.000 2.383 488 S HA 0.161 4.631 4.470 0.000 0.000 0.227 488 S C 1.187 175.803 174.600 0.027 0.000 1.026 488 S CA 2.014 60.216 58.200 0.003 0.000 0.981 488 S CB -0.603 nan 63.200 nan 0.000 0.818 488 S HN 1.096 nan 8.310 nan 0.000 0.472 489 D N 1.460 121.860 120.400 0.001 0.000 2.443 489 D HA 0.040 4.680 4.640 0.000 0.000 0.239 489 D C 1.142 177.489 176.300 0.078 0.000 1.136 489 D CA 0.658 54.688 54.000 0.049 0.000 0.879 489 D CB 0.969 41.796 40.800 0.044 0.000 1.195 489 D HN 0.270 nan 8.370 nan 0.000 0.443 490 S N 2.141 117.911 115.700 0.115 0.000 2.547 490 S HA -0.015 4.455 4.470 0.000 0.000 0.235 490 S C 1.792 176.364 174.600 -0.047 0.000 0.980 490 S CA 0.447 58.734 58.200 0.146 0.000 0.941 490 S CB -0.164 63.201 63.200 0.275 0.000 0.763 490 S HN 0.596 nan 8.310 nan 0.000 0.532 491 A N 0.498 123.142 122.820 -0.293 0.000 1.968 491 A HA 0.210 4.530 4.320 0.000 0.000 0.217 491 A C 0.496 177.562 177.584 -0.863 0.000 1.169 491 A CA 0.108 51.507 52.037 -1.063 0.000 0.638 491 A CB -0.488 17.921 19.000 -0.985 0.000 0.812 491 A HN 0.690 nan 8.150 nan 0.000 0.446 492 W N -1.145 119.958 121.300 -0.328 0.000 2.438 492 W HA 0.570 5.231 4.660 0.000 0.000 0.324 492 W C -0.449 176.111 176.519 0.069 0.000 1.119 492 W CA -0.769 56.489 57.345 -0.146 0.000 1.221 492 W CB 1.069 30.419 29.460 -0.183 0.000 1.253 492 W HN 0.087 nan 8.180 nan 0.000 0.555 493 L N 4.013 125.449 121.223 0.355 0.000 2.305 493 L HA 0.394 4.734 4.340 0.000 0.000 0.284 493 L C -0.015 176.944 176.870 0.149 0.000 1.013 493 L CA -1.127 53.839 54.840 0.210 0.000 0.819 493 L CB 0.955 43.065 42.059 0.085 0.000 1.227 493 L HN 0.324 nan 8.230 nan 0.000 0.417 494 K N 3.996 124.332 120.400 -0.107 0.000 2.378 494 K HA 0.233 4.553 4.320 0.000 0.000 0.288 494 K C 0.519 176.905 176.600 -0.356 0.000 1.057 494 K CA 0.290 56.213 56.287 -0.607 0.000 0.971 494 K CB 0.611 32.532 32.500 -0.966 0.000 0.975 494 K HN 0.699 nan 8.250 nan 0.000 0.475 495 V N 0.965 120.716 119.914 -0.272 0.000 3.572 495 V HA 0.419 4.539 4.120 0.000 0.000 0.260 495 V C 0.598 176.607 176.094 -0.143 0.000 1.324 495 V CA 0.437 62.639 62.300 -0.163 0.000 1.068 495 V CB 0.489 32.267 31.823 -0.074 0.000 0.837 495 V HN 0.685 nan 8.190 nan 0.000 0.450 496 G N -0.124 108.588 108.800 -0.145 0.000 2.682 496 G HA2 0.677 4.637 3.960 0.000 0.000 0.290 496 G HA3 0.677 4.637 3.960 0.000 0.000 0.290 496 G C -1.530 173.324 174.900 -0.077 0.000 1.425 496 G CA -1.182 43.861 45.100 -0.095 0.000 0.807 496 G HN 0.191 nan 8.290 nan 0.000 0.482 497 R N -0.688 119.753 120.500 -0.098 0.000 2.604 497 R HA 0.583 4.923 4.340 0.000 0.000 0.287 497 R C -0.641 175.558 176.300 -0.168 0.000 0.970 497 R CA -0.701 55.284 56.100 -0.191 0.000 0.946 497 R CB 2.363 32.549 30.300 -0.189 0.000 1.127 497 R HN 0.270 nan 8.270 nan 0.000 0.473 498 V N 2.959 122.743 119.914 -0.218 0.000 2.461 498 V HA 0.232 4.352 4.120 0.000 0.000 0.275 498 V C 0.787 176.808 176.094 -0.123 0.000 1.047 498 V CA -0.319 61.900 62.300 -0.135 0.000 0.955 498 V CB 1.092 32.843 31.823 -0.121 0.000 0.988 498 V HN 0.948 nan 8.190 nan 0.000 0.471 499 A N 0.000 122.772 122.820 -0.080 0.000 2.254 499 A HA 0.000 4.320 4.320 0.000 0.000 0.244 499 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 499 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486