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 1goi_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 DYGFDGVNID 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 0.000 174.707 174.700 0.011 0.000 1.109 3 T CA 0.000 62.114 62.100 0.023 0.000 1.349 3 T CB 0.000 68.884 68.868 0.027 0.000 0.612 4 R N 3.216 123.726 120.500 0.017 0.000 2.585 4 R HA 0.220 4.561 4.340 0.000 0.000 0.275 4 R C 0.052 176.318 176.300 -0.058 0.000 1.018 4 R CA -0.239 55.860 56.100 -0.002 0.000 1.072 4 R CB 0.425 30.741 30.300 0.027 0.000 0.953 4 R HN 0.408 nan 8.270 nan 0.000 0.419 5 K N 2.577 122.861 120.400 -0.193 0.000 2.298 5 K HA 0.139 4.460 4.320 0.000 0.000 0.280 5 K C -0.226 176.226 176.600 -0.246 0.000 1.032 5 K CA -0.065 55.990 56.287 -0.386 0.000 0.958 5 K CB 1.402 33.249 32.500 -1.089 0.000 0.978 5 K HN 0.707 nan 8.250 nan 0.000 0.472 6 A N 2.177 124.868 122.820 -0.215 0.000 2.462 6 A HA 0.281 4.602 4.320 0.000 0.000 0.243 6 A C -0.216 177.314 177.584 -0.090 0.000 1.076 6 A CA -0.345 51.593 52.037 -0.165 0.000 0.773 6 A CB 0.341 19.037 19.000 -0.506 0.000 1.010 6 A HN 0.372 nan 8.150 nan 0.000 0.493 7 V N 4.346 124.287 119.914 0.045 0.000 2.398 7 V HA 0.281 4.402 4.120 0.000 0.000 0.282 7 V C -0.559 175.587 176.094 0.087 0.000 1.014 7 V CA 0.045 62.432 62.300 0.146 0.000 0.838 7 V CB 0.790 32.765 31.823 0.253 0.000 1.018 7 V HN 0.704 nan 8.190 nan 0.000 0.432 8 I N 4.195 124.730 120.570 -0.058 0.000 2.359 8 I HA 0.592 4.762 4.170 0.000 0.000 0.284 8 I C 0.778 176.568 176.117 -0.545 0.000 1.018 8 I CA -0.271 60.901 61.300 -0.213 0.000 1.173 8 I CB 1.723 39.545 38.000 -0.297 0.000 1.326 8 I HN 0.648 nan 8.210 nan 0.000 0.462 9 G N 5.440 113.864 108.800 -0.626 0.000 2.368 9 G HA2 0.478 4.438 3.960 0.000 0.000 0.320 9 G HA3 0.478 4.438 3.960 0.000 0.000 0.320 9 G C -1.051 173.562 174.900 -0.480 0.000 1.158 9 G CA -0.310 44.101 45.100 -1.149 0.000 0.912 9 G HN 0.338 nan 8.290 nan 0.000 0.456 10 Y N 0.864 120.905 120.300 -0.433 0.000 2.411 10 Y HA 0.220 4.771 4.550 0.000 0.000 0.333 10 Y C -0.118 175.720 175.900 -0.104 0.000 1.186 10 Y CA 0.395 58.391 58.100 -0.173 0.000 1.381 10 Y CB 1.008 39.413 38.460 -0.091 0.000 1.273 10 Y HN 0.529 nan 8.280 nan 0.000 0.546 11 Y N 5.668 125.969 120.300 0.002 0.000 2.464 11 Y HA 0.346 4.896 4.550 0.000 0.000 0.326 11 Y C -1.600 174.212 175.900 -0.146 0.000 0.969 11 Y CA -1.522 56.602 58.100 0.039 0.000 1.270 11 Y CB 0.219 38.791 38.460 0.185 0.000 1.103 11 Y HN 0.507 nan 8.280 nan 0.000 0.491 12 F N 8.266 127.744 119.950 -0.786 0.000 2.427 12 F HA 0.647 5.174 4.527 0.000 0.000 0.346 12 F C -1.529 173.865 175.800 -0.675 0.000 1.120 12 F CA -1.460 56.073 58.000 -0.777 0.000 1.033 12 F CB 0.766 39.168 39.000 -0.997 0.000 1.126 12 F HN 0.433 nan 8.300 nan 0.000 0.462 13 I N 9.292 129.099 120.570 -1.271 0.000 2.512 13 I HA 0.456 4.626 4.170 0.000 0.000 0.287 13 I C -2.570 173.032 176.117 -0.859 0.000 1.069 13 I CA -2.500 58.267 61.300 -0.887 0.000 1.056 13 I CB 2.072 39.957 38.000 -0.192 0.000 1.229 13 I HN 0.414 nan 8.210 nan 0.000 0.429 14 P HA 0.227 nan 4.420 nan 0.000 0.274 14 P C 0.465 177.730 177.300 -0.059 0.000 1.246 14 P CA -0.199 62.714 63.100 -0.312 0.000 0.795 14 P CB 0.687 32.291 31.700 -0.160 0.000 1.006 15 T N 0.164 114.756 114.554 0.063 0.000 2.720 15 T HA -0.195 4.155 4.350 0.000 0.000 0.268 15 T C 1.645 176.396 174.700 0.084 0.000 1.037 15 T CA 2.137 64.312 62.100 0.125 0.000 1.144 15 T CB -0.799 68.169 68.868 0.166 0.000 0.864 15 T HN 0.540 nan 8.240 nan 0.000 0.444 16 N N 0.836 119.569 118.700 0.055 0.000 2.223 16 N HA -0.097 4.644 4.740 0.000 0.000 0.185 16 N C 1.926 177.468 175.510 0.053 0.000 1.016 16 N CA 1.213 54.292 53.050 0.049 0.000 0.863 16 N CB -0.130 38.378 38.487 0.034 0.000 0.983 16 N HN 0.487 nan 8.380 nan 0.000 0.429 17 Q N -0.394 119.433 119.800 0.045 0.000 2.123 17 Q HA 0.014 4.354 4.340 0.000 0.000 0.199 17 Q C 2.037 178.141 176.000 0.172 0.000 0.966 17 Q CA 0.946 56.796 55.803 0.078 0.000 0.845 17 Q CB 0.055 28.817 28.738 0.040 0.000 0.907 17 Q HN 0.492 nan 8.270 nan 0.000 0.439 18 I N 1.385 122.051 120.570 0.159 0.000 2.163 18 I HA -0.306 3.864 4.170 0.000 0.000 0.243 18 I C 1.605 177.803 176.117 0.134 0.000 1.085 18 I CA 0.973 62.376 61.300 0.172 0.000 1.347 18 I CB -0.318 37.770 38.000 0.147 0.000 1.044 18 I HN 0.202 nan 8.210 nan 0.000 0.408 19 N N 0.800 119.557 118.700 0.095 0.000 2.381 19 N HA -0.093 4.647 4.740 0.000 0.000 0.182 19 N C 0.789 176.342 175.510 0.072 0.000 1.025 19 N CA 0.915 54.003 53.050 0.063 0.000 0.888 19 N CB -0.244 38.273 38.487 0.050 0.000 0.965 19 N HN 0.401 nan 8.380 nan 0.000 0.438 20 N N -0.339 118.415 118.700 0.090 0.000 2.282 20 N HA -0.029 4.711 4.740 0.000 0.000 0.240 20 N C -0.638 174.926 175.510 0.090 0.000 1.182 20 N CA -0.276 52.817 53.050 0.072 0.000 0.874 20 N CB 0.329 38.840 38.487 0.040 0.000 1.126 20 N HN 0.218 nan 8.380 nan 0.000 0.516 21 Y N 2.232 122.543 120.300 0.019 0.000 2.810 21 Y HA -0.006 4.544 4.550 0.000 0.000 0.332 21 Y C 0.553 176.462 175.900 0.016 0.000 1.243 21 Y CA 0.912 59.028 58.100 0.027 0.000 1.537 21 Y CB 0.474 38.956 38.460 0.037 0.000 1.265 21 Y HN -0.120 nan 8.280 nan 0.000 0.572 22 T N 5.023 119.226 114.554 -0.585 0.000 2.923 22 T HA 0.301 4.651 4.350 0.000 0.000 0.311 22 T C -0.385 173.968 174.700 -0.579 0.000 1.183 22 T CA -0.721 61.126 62.100 -0.421 0.000 1.020 22 T CB 1.235 69.992 68.868 -0.185 0.000 1.165 22 T HN 0.766 nan 8.240 nan 0.000 0.482 23 E N 1.737 121.737 120.200 -0.334 0.000 2.499 23 E HA 0.140 4.491 4.350 0.000 0.000 0.199 23 E C 0.578 177.101 176.600 -0.128 0.000 1.016 23 E CA 0.041 56.303 56.400 -0.231 0.000 0.933 23 E CB 0.521 30.153 29.700 -0.112 0.000 1.050 23 E HN 0.730 nan 8.360 nan 0.000 0.462 24 T N -2.269 112.216 114.554 -0.114 0.000 3.231 24 T HA 0.139 4.489 4.350 0.000 0.000 0.292 24 T C -0.197 174.467 174.700 -0.060 0.000 1.001 24 T CA -0.514 61.545 62.100 -0.068 0.000 0.920 24 T CB 0.354 69.193 68.868 -0.048 0.000 1.140 24 T HN -0.153 nan 8.240 nan 0.000 0.525 25 D N 1.646 122.000 120.400 -0.077 0.000 2.319 25 D HA 0.194 4.835 4.640 0.000 0.000 0.237 25 D C 1.113 177.382 176.300 -0.052 0.000 1.353 25 D CA -0.154 53.813 54.000 -0.055 0.000 0.992 25 D CB 1.700 42.468 40.800 -0.052 0.000 1.368 25 D HN 0.175 nan 8.370 nan 0.000 0.564 26 T N -0.848 113.688 114.554 -0.030 0.000 3.113 26 T HA -0.026 4.324 4.350 0.000 0.000 0.263 26 T C 1.616 176.310 174.700 -0.009 0.000 1.143 26 T CA 0.514 62.606 62.100 -0.013 0.000 1.090 26 T CB 0.142 69.014 68.868 0.007 0.000 0.922 26 T HN 0.086 nan 8.240 nan 0.000 0.521 27 S N 0.357 116.048 115.700 -0.015 0.000 2.453 27 S HA 0.074 4.544 4.470 0.000 0.000 0.231 27 S C 1.855 176.447 174.600 -0.014 0.000 1.005 27 S CA 0.512 58.704 58.200 -0.013 0.000 0.949 27 S CB -0.163 63.029 63.200 -0.012 0.000 0.774 27 S HN 0.464 nan 8.310 nan 0.000 0.510 28 V N -0.064 119.837 119.914 -0.023 0.000 2.521 28 V HA 0.203 4.323 4.120 0.000 0.000 0.239 28 V C 0.376 176.456 176.094 -0.025 0.000 1.053 28 V CA 0.636 62.921 62.300 -0.024 0.000 1.073 28 V CB 0.235 32.037 31.823 -0.035 0.000 0.746 28 V HN 0.173 nan 8.190 nan 0.000 0.476 29 V N 1.887 121.774 119.914 -0.046 0.000 2.340 29 V HA 0.303 4.423 4.120 0.000 0.000 0.277 29 V C -1.922 174.173 176.094 0.001 0.000 1.017 29 V CA -0.959 61.320 62.300 -0.034 0.000 0.820 29 V CB 1.217 32.961 31.823 -0.130 0.000 1.028 29 V HN 0.314 nan 8.190 nan 0.000 0.436 30 P HA -0.082 nan 4.420 nan 0.000 0.220 30 P C 0.170 177.592 177.300 0.204 0.000 1.148 30 P CA 1.167 64.323 63.100 0.094 0.000 0.803 30 P CB 0.164 31.919 31.700 0.093 0.000 0.782 31 F N 1.115 121.092 119.950 0.045 0.000 2.686 31 F HA 0.417 4.944 4.527 0.000 0.000 0.365 31 F C -2.715 173.218 175.800 0.222 0.000 1.196 31 F CA -3.228 54.840 58.000 0.113 0.000 1.198 31 F CB 0.825 39.890 39.000 0.108 0.000 1.454 31 F HN -0.204 nan 8.300 nan 0.000 0.539 32 P HA 0.082 nan 4.420 nan 0.000 0.274 32 P C 0.976 178.181 177.300 -0.159 0.000 1.237 32 P CA -0.092 62.995 63.100 -0.022 0.000 0.793 32 P CB 1.906 33.522 31.700 -0.140 0.000 0.977 33 V N 1.188 121.151 119.914 0.082 0.000 2.688 33 V HA -0.220 3.900 4.120 0.000 0.000 0.256 33 V C 2.459 178.488 176.094 -0.109 0.000 1.084 33 V CA 2.586 64.820 62.300 -0.111 0.000 1.103 33 V CB -1.663 30.082 31.823 -0.131 0.000 0.688 33 V HN 0.701 nan 8.190 nan 0.000 0.480 34 S N 0.506 116.172 115.700 -0.057 0.000 2.507 34 S HA -0.149 4.322 4.470 0.000 0.000 0.235 34 S C 1.544 176.099 174.600 -0.076 0.000 0.988 34 S CA 1.251 59.425 58.200 -0.044 0.000 0.944 34 S CB -0.579 62.608 63.200 -0.022 0.000 0.762 34 S HN 0.604 nan 8.310 nan 0.000 0.526 35 N N 1.324 119.916 118.700 -0.181 0.000 2.512 35 N HA 0.211 4.951 4.740 0.000 0.000 0.183 35 N C -0.048 175.454 175.510 -0.014 0.000 1.073 35 N CA 0.422 53.398 53.050 -0.123 0.000 0.911 35 N CB -0.332 38.015 38.487 -0.233 0.000 0.964 35 N HN 0.543 nan 8.380 nan 0.000 0.447 36 I N 1.544 122.094 120.570 -0.032 0.000 2.281 36 I HA 0.069 4.239 4.170 0.000 0.000 0.293 36 I C 0.586 176.730 176.117 0.045 0.000 1.085 36 I CA -0.486 60.862 61.300 0.081 0.000 1.257 36 I CB 0.202 38.272 38.000 0.116 0.000 1.430 36 I HN -0.002 nan 8.210 nan 0.000 0.489 37 T N 3.101 117.677 114.554 0.036 0.000 2.788 37 T HA 0.236 4.586 4.350 0.000 0.000 0.287 37 T C -1.717 172.929 174.700 -0.089 0.000 1.007 37 T CA -1.578 60.506 62.100 -0.027 0.000 1.005 37 T CB 0.939 69.794 68.868 -0.022 0.000 1.012 37 T HN 0.229 nan 8.240 nan 0.000 0.530 38 P HA -0.103 nan 4.420 nan 0.000 0.216 38 P C 1.669 178.881 177.300 -0.147 0.000 1.153 38 P CA 1.673 64.498 63.100 -0.458 0.000 0.858 38 P CB -0.349 30.931 31.700 -0.700 0.000 0.789 39 A N -0.093 122.678 122.820 -0.083 0.000 1.877 39 A HA -0.228 4.093 4.320 0.000 0.000 0.216 39 A C 2.087 179.687 177.584 0.027 0.000 1.186 39 A CA 1.839 53.866 52.037 -0.017 0.000 0.620 39 A CB -1.035 17.960 19.000 -0.009 0.000 0.822 39 A HN 0.158 nan 8.150 nan 0.000 0.443 40 K N -0.215 120.213 120.400 0.047 0.000 2.097 40 K HA -0.031 4.290 4.320 0.000 0.000 0.206 40 K C 2.259 178.931 176.600 0.120 0.000 1.049 40 K CA 1.032 57.381 56.287 0.103 0.000 0.933 40 K CB -0.337 32.250 32.500 0.146 0.000 0.717 40 K HN 0.434 nan 8.250 nan 0.000 0.442 41 A N 1.931 124.810 122.820 0.099 0.000 1.940 41 A HA -0.208 4.112 4.320 0.000 0.000 0.219 41 A C 1.852 179.501 177.584 0.108 0.000 1.176 41 A CA 1.597 53.706 52.037 0.120 0.000 0.631 41 A CB -0.286 18.806 19.000 0.154 0.000 0.814 41 A HN 0.196 nan 8.150 nan 0.000 0.446 42 K N -0.616 119.836 120.400 0.086 0.000 2.288 42 K HA -0.078 4.243 4.320 0.000 0.000 0.201 42 K C 2.008 178.659 176.600 0.084 0.000 1.048 42 K CA 1.250 57.584 56.287 0.079 0.000 0.956 42 K CB -0.070 32.466 32.500 0.059 0.000 0.746 42 K HN 0.616 nan 8.250 nan 0.000 0.461 43 Q N 0.042 119.900 119.800 0.097 0.000 2.432 43 Q HA 0.089 4.429 4.340 0.000 0.000 0.205 43 Q C -0.104 175.987 176.000 0.151 0.000 0.945 43 Q CA 0.258 56.128 55.803 0.112 0.000 0.924 43 Q CB 0.291 29.091 28.738 0.103 0.000 1.016 43 Q HN 0.207 nan 8.270 nan 0.000 0.503 44 L N 0.101 121.415 121.223 0.153 0.000 2.343 44 L HA 0.183 4.524 4.340 0.000 0.000 0.275 44 L C 1.264 178.201 176.870 0.111 0.000 1.056 44 L CA -0.184 54.753 54.840 0.161 0.000 0.804 44 L CB 1.461 43.618 42.059 0.163 0.000 1.203 44 L HN 0.087 nan 8.230 nan 0.000 0.440 45 T N -3.074 111.552 114.554 0.119 0.000 3.023 45 T HA 0.193 4.543 4.350 0.000 0.000 0.249 45 T C 0.281 174.918 174.700 -0.104 0.000 1.050 45 T CA 0.188 62.314 62.100 0.044 0.000 1.088 45 T CB 0.047 68.990 68.868 0.125 0.000 0.946 45 T HN 0.532 nan 8.240 nan 0.000 0.480 46 H N -0.413 118.656 119.070 -0.002 0.000 2.894 46 H HA 0.678 5.234 4.556 0.000 0.000 0.367 46 H C -1.285 174.017 175.328 -0.043 0.000 1.144 46 H CA -0.958 55.081 56.048 -0.016 0.000 1.180 46 H CB 1.600 31.329 29.762 -0.056 0.000 1.758 46 H HN 0.157 nan 8.280 nan 0.000 0.541 47 I N 2.178 122.815 120.570 0.111 0.000 2.389 47 I HA 0.237 4.408 4.170 0.000 0.000 0.288 47 I C -0.475 175.669 176.117 0.046 0.000 0.999 47 I CA -0.853 60.487 61.300 0.067 0.000 1.129 47 I CB 1.272 39.354 38.000 0.136 0.000 1.288 47 I HN 0.479 nan 8.210 nan 0.000 0.444 48 N N 6.593 125.216 118.700 -0.129 0.000 2.521 48 N HA 0.167 4.907 4.740 0.000 0.000 0.236 48 N C -0.614 174.870 175.510 -0.043 0.000 1.067 48 N CA -0.252 52.661 53.050 -0.227 0.000 0.939 48 N CB 0.466 38.484 38.487 -0.783 0.000 1.201 48 N HN 0.424 nan 8.380 nan 0.000 0.511 49 F N 1.966 121.927 119.950 0.019 0.000 2.543 49 F HA 0.136 4.663 4.527 0.000 0.000 0.375 49 F C 0.022 175.819 175.800 -0.004 0.000 1.075 49 F CA 0.275 58.353 58.000 0.130 0.000 1.225 49 F CB 0.434 39.603 39.000 0.281 0.000 1.099 49 F HN 0.155 nan 8.300 nan 0.000 0.561 50 S N 6.067 121.286 115.700 -0.801 0.000 2.547 50 S HA 0.654 5.124 4.470 0.000 0.000 0.281 50 S C -1.449 172.820 174.600 -0.552 0.000 1.118 50 S CA -0.491 57.243 58.200 -0.776 0.000 0.947 50 S CB 1.234 63.788 63.200 -1.077 0.000 1.053 50 S HN 0.468 nan 8.310 nan 0.000 0.482 51 F N 1.665 121.691 119.950 0.128 0.000 2.540 51 F HA 0.633 5.161 4.527 0.000 0.000 0.317 51 F C -0.360 175.588 175.800 0.247 0.000 1.104 51 F CA -0.818 57.323 58.000 0.235 0.000 0.913 51 F CB 1.084 40.292 39.000 0.347 0.000 1.170 51 F HN 0.309 nan 8.300 nan 0.000 0.450 52 L N 1.491 122.919 121.223 0.341 0.000 2.440 52 L HA 0.566 4.906 4.340 0.000 0.000 0.262 52 L C -0.228 176.778 176.870 0.227 0.000 1.072 52 L CA -0.130 54.782 54.840 0.120 0.000 0.798 52 L CB 0.871 42.827 42.059 -0.171 0.000 1.307 52 L HN 0.578 nan 8.230 nan 0.000 0.475 53 D N -1.390 119.007 120.400 -0.004 0.000 2.781 53 D HA 0.543 5.183 4.640 0.000 0.000 0.295 53 D C -1.397 174.807 176.300 -0.160 0.000 1.143 53 D CA -0.369 53.539 54.000 -0.152 0.000 1.076 53 D CB 1.404 41.815 40.800 -0.649 0.000 1.444 53 D HN 0.245 nan 8.370 nan 0.000 0.567 54 I N 2.135 122.490 120.570 -0.358 0.000 2.406 54 I HA 0.318 4.488 4.170 0.000 0.000 0.290 54 I C 0.041 175.963 176.117 -0.325 0.000 0.999 54 I CA -0.935 60.110 61.300 -0.426 0.000 1.124 54 I CB 1.349 38.802 38.000 -0.910 0.000 1.289 54 I HN 0.314 nan 8.210 nan 0.000 0.441 55 N N 3.327 121.911 118.700 -0.193 0.000 2.418 55 N HA 0.127 4.868 4.740 0.000 0.000 0.283 55 N C 0.844 176.270 175.510 -0.140 0.000 1.267 55 N CA -0.560 52.406 53.050 -0.139 0.000 0.975 55 N CB 0.355 38.802 38.487 -0.067 0.000 1.167 55 N HN 0.539 nan 8.380 nan 0.000 0.581 56 S N -1.885 113.757 115.700 -0.097 0.000 2.515 56 S HA -0.088 4.382 4.470 0.000 0.000 0.231 56 S C 1.075 175.632 174.600 -0.073 0.000 0.987 56 S CA 0.526 58.673 58.200 -0.088 0.000 0.936 56 S CB -0.610 62.553 63.200 -0.060 0.000 0.766 56 S HN 0.641 nan 8.310 nan 0.000 0.528 57 N N 1.429 120.095 118.700 -0.056 0.000 2.461 57 N HA 0.181 4.922 4.740 0.000 0.000 0.188 57 N C 0.270 175.754 175.510 -0.044 0.000 1.134 57 N CA 0.061 53.088 53.050 -0.038 0.000 0.878 57 N CB -0.768 37.711 38.487 -0.015 0.000 0.972 57 N HN 0.525 nan 8.380 nan 0.000 0.456 58 L N -0.570 120.600 121.223 -0.087 0.000 3.717 58 L HA -0.262 4.078 4.340 0.000 0.000 0.411 58 L C -0.824 176.044 176.870 -0.004 0.000 1.233 58 L CA 0.595 55.362 54.840 -0.121 0.000 0.917 58 L CB -1.902 40.086 42.059 -0.117 0.000 1.902 58 L HN 0.282 nan 8.230 nan 0.000 0.894 59 E N -0.623 119.591 120.200 0.023 0.000 2.277 59 E HA 0.379 4.729 4.350 0.000 0.000 0.266 59 E C -0.219 176.453 176.600 0.120 0.000 0.901 59 E CA -0.862 55.615 56.400 0.128 0.000 0.782 59 E CB 2.565 32.305 29.700 0.067 0.000 1.228 59 E HN 0.276 nan 8.360 nan 0.000 0.424 60 C N 2.315 121.729 119.300 0.190 0.000 2.596 60 C HA 0.442 4.902 4.460 0.000 0.000 0.414 60 C C 0.073 175.087 174.990 0.041 0.000 1.396 60 C CA 0.237 59.329 59.018 0.124 0.000 1.698 60 C CB -1.839 25.959 27.740 0.098 0.000 2.572 60 C HN 0.628 nan 8.230 nan 0.000 0.604 61 A N 5.643 128.459 122.820 -0.006 0.000 2.604 61 A HA 0.684 5.005 4.320 0.000 0.000 0.295 61 A C -1.305 176.268 177.584 -0.018 0.000 1.067 61 A CA -0.679 51.372 52.037 0.023 0.000 0.683 61 A CB 0.304 19.338 19.000 0.057 0.000 1.281 61 A HN 0.922 nan 8.150 nan 0.000 0.407 62 W N 0.950 122.251 121.300 0.002 0.000 2.112 62 W HA 0.362 5.022 4.660 0.000 0.000 0.349 62 W C 0.682 177.227 176.519 0.042 0.000 1.289 62 W CA 0.841 58.208 57.345 0.037 0.000 1.256 62 W CB 0.409 29.876 29.460 0.010 0.000 1.148 62 W HN 0.737 nan 8.180 nan 0.000 0.590 63 D N 3.550 124.165 120.400 0.359 0.000 2.581 63 D HA -0.093 4.547 4.640 0.000 0.000 0.238 63 D C -0.947 175.490 176.300 0.228 0.000 1.145 63 D CA -0.945 53.216 54.000 0.268 0.000 0.866 63 D CB 1.001 42.015 40.800 0.356 0.000 1.151 63 D HN 0.056 nan 8.370 nan 0.000 0.500 64 P HA -0.097 nan 4.420 nan 0.000 0.225 64 P C 0.801 178.160 177.300 0.098 0.000 1.148 64 P CA 0.816 63.984 63.100 0.115 0.000 0.779 64 P CB 0.056 31.805 31.700 0.081 0.000 0.780 65 A N -0.467 122.422 122.820 0.114 0.000 2.168 65 A HA 0.023 4.343 4.320 0.000 0.000 0.215 65 A C 1.039 178.674 177.584 0.083 0.000 1.152 65 A CA 0.644 52.737 52.037 0.095 0.000 0.716 65 A CB -1.353 17.712 19.000 0.108 0.000 0.794 65 A HN 0.167 nan 8.150 nan 0.000 0.465 66 T N 1.933 116.545 114.554 0.096 0.000 2.834 66 T HA 0.065 4.415 4.350 0.000 0.000 0.298 66 T C 0.285 174.959 174.700 -0.042 0.000 0.966 66 T CA -0.391 61.733 62.100 0.040 0.000 1.141 66 T CB 0.239 69.139 68.868 0.054 0.000 0.905 66 T HN 0.399 nan 8.240 nan 0.000 0.535 67 N N 2.620 121.288 118.700 -0.053 0.000 2.416 67 N HA -0.040 4.700 4.740 0.000 0.000 0.265 67 N C 0.755 176.166 175.510 -0.166 0.000 1.195 67 N CA -0.007 52.997 53.050 -0.077 0.000 0.943 67 N CB 0.991 39.452 38.487 -0.043 0.000 1.115 67 N HN 0.639 nan 8.380 nan 0.000 0.481 68 D N 3.756 124.053 120.400 -0.171 0.000 2.144 68 D HA -0.074 4.566 4.640 0.000 0.000 0.199 68 D C 1.693 177.870 176.300 -0.205 0.000 0.984 68 D CA 1.536 55.389 54.000 -0.246 0.000 0.834 68 D CB 0.250 40.962 40.800 -0.146 0.000 0.955 68 D HN 0.650 nan 8.370 nan 0.000 0.465 69 A N 0.482 123.220 122.820 -0.137 0.000 1.902 69 A HA -0.175 4.145 4.320 0.000 0.000 0.217 69 A C 2.117 179.623 177.584 -0.131 0.000 1.181 69 A CA 1.277 53.244 52.037 -0.117 0.000 0.623 69 A CB -0.392 18.559 19.000 -0.081 0.000 0.818 69 A HN 0.064 nan 8.150 nan 0.000 0.443 70 K N -0.117 120.209 120.400 -0.123 0.000 2.097 70 K HA -0.013 4.307 4.320 0.000 0.000 0.205 70 K C 2.271 178.762 176.600 -0.183 0.000 1.050 70 K CA 1.261 57.482 56.287 -0.109 0.000 0.938 70 K CB -0.759 31.712 32.500 -0.047 0.000 0.718 70 K HN 0.454 nan 8.250 nan 0.000 0.442 71 A N 1.665 124.317 122.820 -0.281 0.000 1.877 71 A HA -0.172 4.148 4.320 0.000 0.000 0.216 71 A C 2.253 179.638 177.584 -0.332 0.000 1.186 71 A CA 1.366 53.139 52.037 -0.439 0.000 0.620 71 A CB -0.414 17.919 19.000 -1.113 0.000 0.822 71 A HN 0.246 nan 8.150 nan 0.000 0.443 72 R N -0.667 119.690 120.500 -0.238 0.000 2.091 72 R HA -0.180 4.160 4.340 0.000 0.000 0.238 72 R C 2.026 178.218 176.300 -0.180 0.000 1.136 72 R CA 1.709 57.730 56.100 -0.132 0.000 0.959 72 R CB -0.466 29.762 30.300 -0.119 0.000 0.856 72 R HN 0.742 nan 8.270 nan 0.000 0.437 73 D N -0.021 120.269 120.400 -0.184 0.000 2.117 73 D HA -0.132 4.508 4.640 0.000 0.000 0.197 73 D C 1.741 177.883 176.300 -0.264 0.000 0.987 73 D CA 1.068 54.956 54.000 -0.186 0.000 0.829 73 D CB 0.203 40.917 40.800 -0.144 0.000 0.961 73 D HN -0.055 nan 8.370 nan 0.000 0.460 74 V N -0.093 119.614 119.914 -0.345 0.000 2.295 74 V HA -0.217 3.903 4.120 0.000 0.000 0.246 74 V C 2.583 178.499 176.094 -0.297 0.000 1.049 74 V CA 1.346 63.395 62.300 -0.419 0.000 1.024 74 V CB -0.424 31.206 31.823 -0.321 0.000 0.648 74 V HN 0.194 nan 8.190 nan 0.000 0.447 75 V N 0.693 120.417 119.914 -0.316 0.000 2.343 75 V HA -0.251 3.869 4.120 0.000 0.000 0.247 75 V C 2.349 178.276 176.094 -0.278 0.000 1.051 75 V CA 2.135 64.207 62.300 -0.381 0.000 1.036 75 V CB -0.937 30.575 31.823 -0.518 0.000 0.654 75 V HN 0.567 nan 8.190 nan 0.000 0.451 76 N N 0.393 118.953 118.700 -0.234 0.000 2.149 76 N HA -0.175 4.566 4.740 0.000 0.000 0.188 76 N C 1.935 177.359 175.510 -0.143 0.000 1.019 76 N CA 1.409 54.352 53.050 -0.177 0.000 0.857 76 N CB -0.390 38.007 38.487 -0.150 0.000 0.997 76 N HN 0.502 nan 8.380 nan 0.000 0.426 77 R N 0.304 120.712 120.500 -0.154 0.000 2.096 77 R HA 0.034 4.375 4.340 0.000 0.000 0.235 77 R C 2.210 178.447 176.300 -0.105 0.000 1.127 77 R CA 0.698 56.729 56.100 -0.115 0.000 0.968 77 R CB -0.282 29.946 30.300 -0.120 0.000 0.861 77 R HN 0.224 nan 8.270 nan 0.000 0.440 78 L N 0.032 121.173 121.223 -0.136 0.000 2.044 78 L HA -0.131 4.210 4.340 0.000 0.000 0.205 78 L C 2.618 179.458 176.870 -0.049 0.000 1.075 78 L CA 1.660 56.445 54.840 -0.092 0.000 0.747 78 L CB -0.678 41.334 42.059 -0.078 0.000 0.903 78 L HN 0.357 nan 8.230 nan 0.000 0.435 79 T N -2.899 111.609 114.554 -0.078 0.000 2.995 79 T HA -0.029 4.321 4.350 0.000 0.000 0.269 79 T C 1.869 176.530 174.700 -0.065 0.000 1.091 79 T CA 0.717 62.781 62.100 -0.060 0.000 1.128 79 T CB -0.265 68.548 68.868 -0.092 0.000 0.891 79 T HN 0.278 nan 8.240 nan 0.000 0.492 80 A N 1.684 124.458 122.820 -0.076 0.000 2.070 80 A HA 0.169 4.490 4.320 0.000 0.000 0.220 80 A C 2.311 179.831 177.584 -0.107 0.000 1.159 80 A CA 0.977 52.961 52.037 -0.089 0.000 0.656 80 A CB -0.914 18.043 19.000 -0.072 0.000 0.800 80 A HN 0.586 nan 8.150 nan 0.000 0.453 81 L N -0.921 120.281 121.223 -0.035 0.000 2.265 81 L HA -0.172 4.168 4.340 0.000 0.000 0.215 81 L C 2.218 179.081 176.870 -0.012 0.000 1.117 81 L CA 1.264 56.130 54.840 0.043 0.000 0.782 81 L CB -0.405 41.712 42.059 0.096 0.000 0.914 81 L HN 0.355 nan 8.230 nan 0.000 0.441 82 K N 0.336 120.707 120.400 -0.048 0.000 2.360 82 K HA -0.104 4.216 4.320 0.000 0.000 0.201 82 K C 2.182 178.724 176.600 -0.097 0.000 1.046 82 K CA 0.967 57.227 56.287 -0.045 0.000 0.945 82 K CB -0.190 32.288 32.500 -0.037 0.000 0.750 82 K HN 0.296 nan 8.250 nan 0.000 0.464 83 A N 0.775 123.463 122.820 -0.220 0.000 2.019 83 A HA -0.180 4.140 4.320 0.000 0.000 0.219 83 A C 1.305 178.741 177.584 -0.247 0.000 1.164 83 A CA 1.352 53.219 52.037 -0.283 0.000 0.644 83 A CB -0.572 18.182 19.000 -0.411 0.000 0.805 83 A HN 0.417 nan 8.150 nan 0.000 0.449 84 H N -2.252 116.820 119.070 0.003 0.000 2.553 84 H HA 0.164 4.721 4.556 0.000 0.000 0.265 84 H C 0.012 175.347 175.328 0.012 0.000 0.964 84 H CA 0.411 56.465 56.048 0.009 0.000 1.156 84 H CB 0.342 30.113 29.762 0.015 0.000 1.411 84 H HN 0.434 nan 8.280 nan 0.000 0.558 85 N N 0.179 118.933 118.700 0.090 0.000 2.699 85 N HA 0.047 4.787 4.740 0.000 0.000 0.271 85 N C -2.559 172.963 175.510 0.020 0.000 1.216 85 N CA -1.744 51.343 53.050 0.061 0.000 0.844 85 N CB 1.355 39.885 38.487 0.073 0.000 1.462 85 N HN -0.137 nan 8.380 nan 0.000 0.555 86 P HA 0.084 nan 4.420 nan 0.000 0.242 86 P C 0.325 177.613 177.300 -0.019 0.000 1.197 86 P CA 0.501 63.595 63.100 -0.010 0.000 0.765 86 P CB 0.439 32.134 31.700 -0.008 0.000 0.936 87 S N -0.806 114.885 115.700 -0.015 0.000 2.511 87 S HA 0.104 4.574 4.470 0.000 0.000 0.214 87 S C 0.685 175.242 174.600 -0.072 0.000 0.997 87 S CA -0.373 57.807 58.200 -0.034 0.000 0.908 87 S CB -0.305 62.888 63.200 -0.013 0.000 0.803 87 S HN 0.088 nan 8.310 nan 0.000 0.504 88 L N 3.198 124.391 121.223 -0.050 0.000 2.416 88 L HA 0.331 4.671 4.340 0.000 0.000 0.272 88 L C -0.092 176.729 176.870 -0.082 0.000 1.161 88 L CA 0.333 55.133 54.840 -0.067 0.000 0.845 88 L CB 0.327 42.386 42.059 -0.000 0.000 1.119 88 L HN -0.011 nan 8.230 nan 0.000 0.464 89 R N 5.679 126.095 120.500 -0.139 0.000 2.494 89 R HA 0.530 4.870 4.340 0.000 0.000 0.305 89 R C -1.122 175.216 176.300 0.063 0.000 0.959 89 R CA -0.926 55.145 56.100 -0.048 0.000 0.864 89 R CB 1.580 31.815 30.300 -0.108 0.000 1.159 89 R HN 0.487 nan 8.270 nan 0.000 0.446 90 I N 4.813 125.474 120.570 0.151 0.000 2.310 90 I HA 0.212 4.382 4.170 0.000 0.000 0.287 90 I C 0.315 176.645 176.117 0.356 0.000 1.073 90 I CA -0.292 61.156 61.300 0.247 0.000 1.216 90 I CB 0.438 38.594 38.000 0.260 0.000 1.415 90 I HN 0.505 nan 8.210 nan 0.000 0.480 91 M N 6.290 126.036 119.600 0.243 0.000 2.247 91 M HA 0.377 4.857 4.480 0.000 0.000 0.326 91 M C -0.203 176.107 176.300 0.017 0.000 1.134 91 M CA -0.308 55.074 55.300 0.137 0.000 1.136 91 M CB 0.836 33.459 32.600 0.039 0.000 1.454 91 M HN 0.389 nan 8.290 nan 0.000 0.467 92 F N -1.109 118.592 119.950 -0.415 0.000 2.546 92 F HA 0.737 5.264 4.527 0.000 0.000 0.320 92 F C -0.582 175.069 175.800 -0.248 0.000 1.076 92 F CA -1.018 56.630 58.000 -0.586 0.000 0.928 92 F CB 0.933 39.045 39.000 -1.481 0.000 1.189 92 F HN 0.417 nan 8.300 nan 0.000 0.465 93 S N 3.639 119.282 115.700 -0.094 0.000 2.462 93 S HA 0.651 5.121 4.470 0.000 0.000 0.294 93 S C -0.398 174.353 174.600 0.250 0.000 1.144 93 S CA -0.586 57.637 58.200 0.039 0.000 1.088 93 S CB 0.857 64.168 63.200 0.186 0.000 1.009 93 S HN 0.558 nan 8.310 nan 0.000 0.484 94 I N 3.072 123.778 120.570 0.226 0.000 2.355 94 I HA 0.630 4.800 4.170 0.000 0.000 0.288 94 I C 0.906 177.270 176.117 0.411 0.000 0.999 94 I CA -0.137 61.361 61.300 0.330 0.000 1.163 94 I CB 0.820 38.976 38.000 0.259 0.000 1.316 94 I HN 0.918 nan 8.210 nan 0.000 0.454 95 G N 4.370 113.420 108.800 0.417 0.000 2.713 95 G HA2 0.300 4.260 3.960 0.000 0.000 0.215 95 G HA3 0.300 4.260 3.960 0.000 0.000 0.215 95 G C 0.089 174.742 174.900 -0.412 0.000 1.265 95 G CA 0.108 45.271 45.100 0.105 0.000 1.204 95 G HN 1.490 nan 8.290 nan 0.000 0.545 96 G N -1.720 106.704 108.800 -0.626 0.000 2.746 96 G HA2 0.042 4.002 3.960 0.000 0.000 0.685 96 G HA3 0.042 4.002 3.960 0.000 0.000 0.685 96 G C 0.771 175.287 174.900 -0.640 0.000 1.350 96 G CA 0.530 44.987 45.100 -1.072 0.000 0.837 96 G HN 1.928 nan 8.290 nan 0.000 0.564 97 W N 0.304 121.192 121.300 -0.686 0.000 2.333 97 W HA -0.202 4.459 4.660 0.000 0.000 0.316 97 W C 2.114 178.385 176.519 -0.415 0.000 1.215 97 W CA 2.669 59.700 57.345 -0.523 0.000 1.278 97 W CB -0.383 28.794 29.460 -0.471 0.000 1.154 97 W HN 0.713 nan 8.180 nan 0.000 0.486 98 Y N 0.366 120.400 120.300 -0.443 0.000 2.128 98 Y HA -0.340 4.210 4.550 0.000 0.000 0.284 98 Y C 2.424 178.074 175.900 -0.418 0.000 1.154 98 Y CA 2.725 60.569 58.100 -0.428 0.000 1.149 98 Y CB -1.225 36.998 38.460 -0.396 0.000 0.976 98 Y HN -0.098 nan 8.280 nan 0.000 0.505 99 Y N -0.635 119.432 120.300 -0.389 0.000 2.286 99 Y HA -0.065 4.485 4.550 0.000 0.000 0.293 99 Y C 2.790 178.356 175.900 -0.557 0.000 1.124 99 Y CA 1.094 58.955 58.100 -0.399 0.000 1.178 99 Y CB -0.806 37.560 38.460 -0.157 0.000 1.010 99 Y HN 0.307 nan 8.280 nan 0.000 0.536 100 S N -0.514 114.830 115.700 -0.593 0.000 2.540 100 S HA 0.090 4.560 4.470 0.000 0.000 0.222 100 S C 0.388 174.603 174.600 -0.642 0.000 1.008 100 S CA -0.373 57.306 58.200 -0.867 0.000 0.939 100 S CB -1.076 61.429 63.200 -1.158 0.000 0.865 100 S HN 0.474 nan 8.310 nan 0.000 0.499 101 N N 1.684 119.846 118.700 -0.895 0.000 2.340 101 N HA 0.079 4.819 4.740 0.000 0.000 0.236 101 N C 0.208 175.263 175.510 -0.758 0.000 1.296 101 N CA 0.096 52.492 53.050 -1.089 0.000 0.896 101 N CB 0.163 37.291 38.487 -2.265 0.000 1.127 101 N HN -0.176 nan 8.380 nan 0.000 0.442 102 D N 0.072 120.047 120.400 -0.708 0.000 2.190 102 D HA -0.126 4.514 4.640 0.000 0.000 0.200 102 D C 0.988 176.890 176.300 -0.663 0.000 0.992 102 D CA 1.353 54.814 54.000 -0.899 0.000 0.854 102 D CB -0.105 40.419 40.800 -0.459 0.000 0.936 102 D HN 0.537 nan 8.370 nan 0.000 0.462 103 L N -0.360 120.581 121.223 -0.469 0.000 2.741 103 L HA 0.319 4.659 4.340 0.000 0.000 0.237 103 L C 1.253 177.925 176.870 -0.331 0.000 1.178 103 L CA -0.534 54.118 54.840 -0.313 0.000 0.973 103 L CB 0.498 42.435 42.059 -0.202 0.000 1.255 103 L HN -0.120 nan 8.230 nan 0.000 0.498 104 G N -0.106 108.430 108.800 -0.440 0.000 2.562 104 G HA2 0.308 4.268 3.960 0.000 0.000 0.275 104 G HA3 0.308 4.268 3.960 0.000 0.000 0.275 104 G C 1.152 175.858 174.900 -0.324 0.000 1.196 104 G CA -0.025 44.789 45.100 -0.477 0.000 0.908 104 G HN -0.015 nan 8.290 nan 0.000 0.524 105 V N -2.027 117.661 119.914 -0.377 0.000 2.759 105 V HA -0.000 4.120 4.120 0.000 0.000 0.256 105 V C 1.641 177.671 176.094 -0.106 0.000 1.080 105 V CA 2.059 64.240 62.300 -0.198 0.000 1.101 105 V CB -0.121 31.613 31.823 -0.148 0.000 0.698 105 V HN 0.403 nan 8.190 nan 0.000 0.477 106 S N -1.219 114.427 115.700 -0.089 0.000 2.730 106 S HA 0.218 4.688 4.470 0.000 0.000 0.244 106 S C 1.396 175.995 174.600 -0.001 0.000 1.022 106 S CA -0.003 58.172 58.200 -0.041 0.000 1.014 106 S CB -0.513 62.673 63.200 -0.024 0.000 0.963 106 S HN 0.800 nan 8.310 nan 0.000 0.540 107 H N 2.253 121.215 119.070 -0.179 0.000 2.352 107 H HA -0.105 4.451 4.556 0.000 0.000 0.299 107 H C 2.112 177.345 175.328 -0.159 0.000 1.097 107 H CA 1.716 57.622 56.048 -0.237 0.000 1.311 107 H CB -0.044 29.565 29.762 -0.255 0.000 1.377 107 H HN 0.467 nan 8.280 nan 0.000 0.504 108 A N 1.222 123.956 122.820 -0.144 0.000 1.978 108 A HA -0.212 4.109 4.320 0.000 0.000 0.220 108 A C 2.176 179.604 177.584 -0.259 0.000 1.170 108 A CA 1.637 53.564 52.037 -0.185 0.000 0.636 108 A CB -0.341 18.609 19.000 -0.084 0.000 0.810 108 A HN 0.543 nan 8.150 nan 0.000 0.448 109 N N -1.163 117.384 118.700 -0.256 0.000 2.270 109 N HA -0.112 4.628 4.740 0.000 0.000 0.181 109 N C 1.396 176.549 175.510 -0.595 0.000 1.016 109 N CA 1.368 54.198 53.050 -0.367 0.000 0.870 109 N CB -0.577 37.685 38.487 -0.375 0.000 0.979 109 N HN 0.650 nan 8.380 nan 0.000 0.431 110 Y N 1.182 121.034 120.300 -0.746 0.000 2.114 110 Y HA -0.104 4.446 4.550 0.000 0.000 0.284 110 Y C 2.538 177.893 175.900 -0.908 0.000 1.143 110 Y CA 0.796 58.222 58.100 -1.123 0.000 1.135 110 Y CB -0.795 36.479 38.460 -1.976 0.000 0.980 110 Y HN -0.195 nan 8.280 nan 0.000 0.499 111 V N 0.484 120.053 119.914 -0.575 0.000 2.287 111 V HA -0.339 3.782 4.120 0.000 0.000 0.248 111 V C 1.540 177.558 176.094 -0.126 0.000 1.053 111 V CA 2.463 64.652 62.300 -0.186 0.000 1.027 111 V CB -0.775 30.942 31.823 -0.177 0.000 0.646 111 V HN 0.490 nan 8.190 nan 0.000 0.447 112 N N 0.075 118.653 118.700 -0.205 0.000 2.354 112 N HA 0.013 4.753 4.740 0.000 0.000 0.179 112 N C 1.827 177.242 175.510 -0.159 0.000 1.021 112 N CA 0.927 53.891 53.050 -0.143 0.000 0.887 112 N CB -0.284 38.121 38.487 -0.137 0.000 0.974 112 N HN 0.460 nan 8.380 nan 0.000 0.437 113 A N 0.824 123.476 122.820 -0.281 0.000 2.019 113 A HA -0.082 4.239 4.320 0.000 0.000 0.219 113 A C 2.067 179.552 177.584 -0.164 0.000 1.164 113 A CA 1.327 53.183 52.037 -0.302 0.000 0.644 113 A CB -0.578 18.006 19.000 -0.695 0.000 0.805 113 A HN 0.252 nan 8.150 nan 0.000 0.449 114 V N -3.668 116.188 119.914 -0.097 0.000 3.633 114 V HA 0.178 4.298 4.120 0.000 0.000 0.283 114 V C 1.445 177.579 176.094 0.066 0.000 1.305 114 V CA 0.907 63.238 62.300 0.051 0.000 1.153 114 V CB -0.417 31.533 31.823 0.211 0.000 0.950 114 V HN 0.398 nan 8.190 nan 0.000 0.432 115 K N 1.754 122.171 120.400 0.028 0.000 2.103 115 K HA 0.045 4.365 4.320 0.000 0.000 0.204 115 K C 1.055 177.676 176.600 0.035 0.000 1.052 115 K CA 1.569 57.877 56.287 0.035 0.000 0.945 115 K CB -0.001 32.506 32.500 0.012 0.000 0.722 115 K HN 0.781 nan 8.250 nan 0.000 0.443 116 T N -3.373 111.199 114.554 0.029 0.000 2.901 116 T HA 0.267 4.617 4.350 0.000 0.000 0.293 116 T C -2.539 172.181 174.700 0.033 0.000 1.084 116 T CA -2.095 60.022 62.100 0.028 0.000 1.008 116 T CB 2.032 70.912 68.868 0.019 0.000 1.170 116 T HN -0.307 nan 8.240 nan 0.000 0.509 117 P HA -0.052 nan 4.420 nan 0.000 0.216 117 P C 1.642 178.959 177.300 0.030 0.000 1.153 117 P CA 1.723 64.841 63.100 0.029 0.000 0.858 117 P CB -0.244 31.469 31.700 0.022 0.000 0.789 118 A N -0.064 122.770 122.820 0.024 0.000 1.930 118 A HA -0.169 4.151 4.320 0.000 0.000 0.217 118 A C 2.389 179.992 177.584 0.032 0.000 1.175 118 A CA 2.224 54.275 52.037 0.023 0.000 0.627 118 A CB -1.587 17.423 19.000 0.016 0.000 0.815 118 A HN 0.341 nan 8.150 nan 0.000 0.443 119 S N -0.055 115.664 115.700 0.031 0.000 2.383 119 S HA -0.158 4.313 4.470 0.000 0.000 0.227 119 S C 2.009 176.659 174.600 0.084 0.000 1.026 119 S CA 1.092 59.314 58.200 0.037 0.000 0.981 119 S CB -0.471 62.733 63.200 0.006 0.000 0.818 119 S HN 0.602 nan 8.310 nan 0.000 0.472 120 R N 1.456 122.009 120.500 0.088 0.000 2.096 120 R HA 0.090 4.430 4.340 0.000 0.000 0.235 120 R C 2.766 179.138 176.300 0.120 0.000 1.127 120 R CA 1.226 57.410 56.100 0.140 0.000 0.968 120 R CB -0.788 29.574 30.300 0.103 0.000 0.861 120 R HN 0.584 nan 8.270 nan 0.000 0.440 121 A N 1.616 124.476 122.820 0.066 0.000 1.877 121 A HA -0.216 4.105 4.320 0.000 0.000 0.216 121 A C 2.089 179.692 177.584 0.033 0.000 1.186 121 A CA 1.527 53.585 52.037 0.035 0.000 0.620 121 A CB -0.381 18.633 19.000 0.023 0.000 0.822 121 A HN 0.225 nan 8.150 nan 0.000 0.443 122 K N -1.653 118.779 120.400 0.054 0.000 2.097 122 K HA -0.156 4.165 4.320 0.000 0.000 0.206 122 K C 1.819 178.465 176.600 0.075 0.000 1.049 122 K CA 1.580 57.897 56.287 0.049 0.000 0.933 122 K CB -0.320 32.210 32.500 0.049 0.000 0.717 122 K HN 0.392 nan 8.250 nan 0.000 0.442 123 F N 1.418 121.350 119.950 -0.030 0.000 2.075 123 F HA -0.096 4.431 4.527 0.000 0.000 0.297 123 F C 2.016 177.804 175.800 -0.020 0.000 1.113 123 F CA 1.482 59.458 58.000 -0.040 0.000 1.218 123 F CB -0.772 38.193 39.000 -0.057 0.000 0.984 123 F HN 0.075 nan 8.300 nan 0.000 0.472 124 A N 0.023 122.696 122.820 -0.245 0.000 1.902 124 A HA -0.240 4.080 4.320 0.000 0.000 0.217 124 A C 2.122 179.567 177.584 -0.231 0.000 1.181 124 A CA 1.884 53.724 52.037 -0.328 0.000 0.623 124 A CB -0.929 17.994 19.000 -0.128 0.000 0.818 124 A HN 0.615 nan 8.150 nan 0.000 0.443 125 Q N 0.060 119.784 119.800 -0.126 0.000 2.124 125 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 125 Q C 2.436 178.384 176.000 -0.087 0.000 0.977 125 Q CA 1.921 57.675 55.803 -0.082 0.000 0.850 125 Q CB -0.280 28.434 28.738 -0.040 0.000 0.901 125 Q HN 0.865 nan 8.270 nan 0.000 0.429 126 S N -0.518 115.120 115.700 -0.102 0.000 2.402 126 S HA -0.155 4.315 4.470 0.000 0.000 0.229 126 S C 2.103 176.655 174.600 -0.081 0.000 1.021 126 S CA 1.018 59.178 58.200 -0.065 0.000 0.974 126 S CB -0.648 62.540 63.200 -0.021 0.000 0.800 126 S HN 0.439 nan 8.310 nan 0.000 0.484 127 C N 1.200 120.380 119.300 -0.201 0.000 2.429 127 C HA 0.049 4.510 4.460 0.000 0.000 0.277 127 C C 2.789 177.812 174.990 0.055 0.000 1.262 127 C CA 0.710 59.683 59.018 -0.075 0.000 1.733 127 C CB -1.353 26.221 27.740 -0.277 0.000 2.010 127 C HN 0.552 nan 8.230 nan 0.000 0.483 128 V N 0.605 120.492 119.914 -0.045 0.000 2.427 128 V HA -0.174 3.947 4.120 0.000 0.000 0.248 128 V C 2.605 178.678 176.094 -0.034 0.000 1.051 128 V CA 1.744 64.014 62.300 -0.050 0.000 1.048 128 V CB -0.773 30.995 31.823 -0.090 0.000 0.666 128 V HN 0.481 nan 8.190 nan 0.000 0.456 129 R N -0.135 120.351 120.500 -0.024 0.000 2.073 129 R HA -0.134 4.206 4.340 0.000 0.000 0.234 129 R C 2.320 178.639 176.300 0.032 0.000 1.134 129 R CA 1.635 57.731 56.100 -0.006 0.000 0.952 129 R CB -0.185 30.116 30.300 0.001 0.000 0.850 129 R HN 0.333 nan 8.270 nan 0.000 0.433 130 I N 0.852 121.452 120.570 0.050 0.000 2.179 130 I HA -0.329 3.841 4.170 0.000 0.000 0.242 130 I C 2.519 178.692 176.117 0.094 0.000 1.088 130 I CA 1.384 62.739 61.300 0.093 0.000 1.357 130 I CB -0.877 37.045 38.000 -0.130 0.000 1.051 130 I HN 0.410 nan 8.210 nan 0.000 0.409 131 M N 0.457 120.083 119.600 0.043 0.000 2.073 131 M HA -0.266 4.215 4.480 0.000 0.000 0.258 131 M C 2.191 178.558 176.300 0.110 0.000 1.070 131 M CA 1.925 57.345 55.300 0.200 0.000 1.103 131 M CB -0.150 32.588 32.600 0.230 0.000 1.321 131 M HN 0.024 nan 8.290 nan 0.000 0.405 132 K N 0.034 120.433 120.400 -0.001 0.000 2.155 132 K HA -0.133 4.187 4.320 0.000 0.000 0.203 132 K C 1.629 178.190 176.600 -0.066 0.000 1.052 132 K CA 1.370 57.632 56.287 -0.042 0.000 0.948 132 K CB -0.793 31.666 32.500 -0.069 0.000 0.728 132 K HN 0.445 nan 8.250 nan 0.000 0.448 133 D N -0.283 120.075 120.400 -0.071 0.000 2.144 133 D HA -0.142 4.498 4.640 0.000 0.000 0.200 133 D C 1.317 177.351 176.300 -0.444 0.000 0.978 133 D CA 1.184 55.038 54.000 -0.244 0.000 0.833 133 D CB 0.103 40.751 40.800 -0.254 0.000 0.961 133 D HN 0.207 nan 8.370 nan 0.000 0.470 134 Y N -1.112 119.098 120.300 -0.150 0.000 2.478 134 Y HA 0.320 4.870 4.550 0.000 0.000 0.261 134 Y C 1.733 177.342 175.900 -0.484 0.000 1.127 134 Y CA 0.458 58.367 58.100 -0.318 0.000 1.288 134 Y CB 0.929 39.182 38.460 -0.344 0.000 1.084 134 Y HN 0.080 nan 8.280 nan 0.000 0.530 135 G N -0.301 108.362 108.800 -0.229 0.000 2.140 135 G HA2 -0.252 3.708 3.960 0.000 0.000 0.211 135 G HA3 -0.252 3.708 3.960 0.000 0.000 0.211 135 G C -0.199 174.637 174.900 -0.106 0.000 1.013 135 G CA -0.558 44.441 45.100 -0.168 0.000 0.705 135 G HN 0.106 nan 8.290 nan 0.000 0.508 136 F N 0.363 120.369 119.950 0.092 0.000 2.375 136 F HA 0.490 5.018 4.527 0.000 0.000 0.313 136 F C 1.332 177.266 175.800 0.223 0.000 1.176 136 F CA -0.462 57.636 58.000 0.163 0.000 1.142 136 F CB 0.625 39.783 39.000 0.264 0.000 1.275 136 F HN -0.034 nan 8.300 nan 0.000 0.544 137 D N -0.080 120.608 120.400 0.479 0.000 2.398 137 D HA 0.319 4.959 4.640 0.000 0.000 0.210 137 D C 0.597 177.156 176.300 0.431 0.000 1.094 137 D CA 0.457 54.717 54.000 0.433 0.000 0.839 137 D CB 0.825 41.778 40.800 0.254 0.000 0.963 137 D HN 0.628 nan 8.370 nan 0.000 0.506 138 G N -0.407 108.596 108.800 0.338 0.000 2.316 138 G HA2 0.305 4.266 3.960 0.000 0.000 0.296 138 G HA3 0.305 4.266 3.960 0.000 0.000 0.296 138 G C -1.842 173.040 174.900 -0.030 0.000 1.399 138 G CA -0.667 44.544 45.100 0.186 0.000 0.833 138 G HN -0.071 nan 8.290 nan 0.000 0.565 139 V N 0.682 120.484 119.914 -0.186 0.000 2.495 139 V HA 0.635 4.755 4.120 0.000 0.000 0.298 139 V C -0.388 175.516 176.094 -0.317 0.000 1.031 139 V CA -0.958 61.028 62.300 -0.523 0.000 0.871 139 V CB 1.756 33.328 31.823 -0.419 0.000 0.988 139 V HN 0.796 nan 8.190 nan 0.000 0.432 140 N N 4.623 123.105 118.700 -0.364 0.000 2.479 140 N HA 0.433 5.173 4.740 0.000 0.000 0.261 140 N C -0.957 174.535 175.510 -0.031 0.000 0.979 140 N CA -0.493 52.476 53.050 -0.135 0.000 0.930 140 N CB 0.810 39.229 38.487 -0.114 0.000 1.172 140 N HN 0.495 nan 8.380 nan 0.000 0.499 141 I N 2.151 122.764 120.570 0.070 0.000 2.325 141 I HA 0.192 4.363 4.170 0.000 0.000 0.291 141 I C 0.045 176.323 176.117 0.270 0.000 1.019 141 I CA -0.182 61.246 61.300 0.214 0.000 1.302 141 I CB 1.061 39.240 38.000 0.299 0.000 1.401 141 I HN 0.582 nan 8.210 nan 0.000 0.485 142 D N 7.406 127.976 120.400 0.283 0.000 2.634 142 D HA 0.068 4.708 4.640 0.000 0.000 0.318 142 D C -0.968 175.376 176.300 0.073 0.000 1.226 142 D CA -0.344 53.780 54.000 0.207 0.000 0.899 142 D CB 0.306 41.293 40.800 0.311 0.000 1.025 142 D HN 0.371 nan 8.370 nan 0.000 0.501 143 W N 2.728 123.937 121.300 -0.151 0.000 2.316 143 W HA 0.374 5.034 4.660 0.000 0.000 0.308 143 W C -0.627 175.554 176.519 -0.564 0.000 1.106 143 W CA -0.999 56.117 57.345 -0.383 0.000 1.262 143 W CB 0.468 29.771 29.460 -0.262 0.000 1.233 143 W HN 0.158 nan 8.180 nan 0.000 0.447 144 E N 6.691 126.653 120.200 -0.396 0.000 2.400 144 E HA 0.218 4.568 4.350 0.000 0.000 0.232 144 E C -1.540 174.651 176.600 -0.682 0.000 0.988 144 E CA -0.307 55.328 56.400 -1.274 0.000 0.823 144 E CB 0.670 29.715 29.700 -1.091 0.000 1.246 144 E HN 0.284 nan 8.360 nan 0.000 0.441 145 Y N 0.366 120.595 120.300 -0.119 0.000 2.552 145 Y HA 0.273 4.824 4.550 0.000 0.000 0.337 145 Y C -2.429 173.054 175.900 -0.694 0.000 1.094 145 Y CA -2.708 55.173 58.100 -0.365 0.000 1.028 145 Y CB 1.542 39.940 38.460 -0.103 0.000 1.321 145 Y HN 0.230 nan 8.280 nan 0.000 0.456 146 P HA 0.079 nan 4.420 nan 0.000 0.271 146 P C -1.101 175.964 177.300 -0.391 0.000 1.218 146 P CA -0.015 62.315 63.100 -1.284 0.000 0.780 146 P CB 1.640 32.253 31.700 -1.811 0.000 0.901 147 Q N 2.066 121.756 119.800 -0.183 0.000 2.615 147 Q HA 0.595 4.935 4.340 0.000 0.000 0.298 147 Q C -0.360 175.632 176.000 -0.014 0.000 1.023 147 Q CA -0.273 55.505 55.803 -0.040 0.000 0.768 147 Q CB 1.646 30.401 28.738 0.028 0.000 1.500 147 Q HN 0.549 nan 8.270 nan 0.000 0.441 148 A N 0.584 123.406 122.820 0.004 0.000 5.471 148 A HA -0.262 4.058 4.320 0.000 0.000 0.292 148 A C 1.196 178.792 177.584 0.020 0.000 2.024 148 A CA 1.626 53.672 52.037 0.015 0.000 0.716 148 A CB -2.333 16.683 19.000 0.026 0.000 1.221 148 A HN 1.805 nan 8.150 nan 0.000 0.364 149 A N -0.789 122.050 122.820 0.032 0.000 2.225 149 A HA 0.144 4.464 4.320 0.000 0.000 0.215 149 A C 1.509 179.123 177.584 0.051 0.000 1.164 149 A CA 2.025 54.085 52.037 0.040 0.000 0.710 149 A CB -0.773 18.253 19.000 0.042 0.000 0.780 149 A HN 0.722 nan 8.150 nan 0.000 0.473 150 E N -0.770 119.456 120.200 0.043 0.000 2.385 150 E HA -0.001 4.349 4.350 0.000 0.000 0.194 150 E C 1.624 178.244 176.600 0.034 0.000 1.013 150 E CA 0.552 56.988 56.400 0.060 0.000 0.866 150 E CB 0.014 29.747 29.700 0.054 0.000 0.832 150 E HN 0.402 nan 8.360 nan 0.000 0.500 151 V N 1.908 121.824 119.914 0.004 0.000 2.358 151 V HA -0.233 3.888 4.120 0.000 0.000 0.246 151 V C 1.550 177.716 176.094 0.120 0.000 1.047 151 V CA 1.840 64.166 62.300 0.043 0.000 1.035 151 V CB -0.346 31.506 31.823 0.047 0.000 0.658 151 V HN 0.204 nan 8.190 nan 0.000 0.452 152 D N 0.828 121.278 120.400 0.083 0.000 2.144 152 D HA -0.112 4.528 4.640 0.000 0.000 0.199 152 D C 2.224 178.580 176.300 0.094 0.000 0.984 152 D CA 1.601 55.647 54.000 0.077 0.000 0.834 152 D CB -0.598 40.235 40.800 0.055 0.000 0.955 152 D HN 0.461 nan 8.370 nan 0.000 0.465 153 G N 0.141 109.012 108.800 0.118 0.000 2.418 153 G HA2 -0.289 3.671 3.960 0.000 0.000 0.217 153 G HA3 -0.289 3.671 3.960 0.000 0.000 0.217 153 G C 1.502 176.516 174.900 0.190 0.000 1.158 153 G CA 0.445 45.628 45.100 0.138 0.000 0.771 153 G HN 0.256 nan 8.290 nan 0.000 0.545 154 F N 1.470 121.458 119.950 0.062 0.000 2.102 154 F HA -0.021 4.506 4.527 0.000 0.000 0.298 154 F C 2.475 178.300 175.800 0.042 0.000 1.105 154 F CA 1.193 59.233 58.000 0.068 0.000 1.239 154 F CB -0.292 38.660 39.000 -0.080 0.000 0.991 154 F HN 0.112 nan 8.300 nan 0.000 0.474 155 I N 0.421 120.990 120.570 -0.002 0.000 2.163 155 I HA -0.340 3.830 4.170 0.000 0.000 0.243 155 I C 2.688 178.754 176.117 -0.084 0.000 1.085 155 I CA 1.487 62.723 61.300 -0.108 0.000 1.347 155 I CB -0.981 37.015 38.000 -0.008 0.000 1.044 155 I HN 0.242 nan 8.210 nan 0.000 0.408 156 A N 0.464 123.278 122.820 -0.010 0.000 1.972 156 A HA -0.113 4.207 4.320 0.000 0.000 0.219 156 A C 2.502 180.088 177.584 0.003 0.000 1.169 156 A CA 1.688 53.726 52.037 0.002 0.000 0.635 156 A CB -0.749 18.269 19.000 0.029 0.000 0.810 156 A HN 0.448 nan 8.150 nan 0.000 0.446 157 A N -0.114 122.718 122.820 0.020 0.000 1.898 157 A HA -0.014 4.306 4.320 0.000 0.000 0.216 157 A C 2.141 179.720 177.584 -0.008 0.000 1.181 157 A CA 1.408 53.486 52.037 0.068 0.000 0.620 157 A CB -0.554 18.555 19.000 0.182 0.000 0.819 157 A HN 0.467 nan 8.150 nan 0.000 0.442 158 L N -0.913 120.228 121.223 -0.137 0.000 2.046 158 L HA -0.261 4.079 4.340 0.000 0.000 0.208 158 L C 2.905 179.714 176.870 -0.100 0.000 1.077 158 L CA 1.637 56.374 54.840 -0.171 0.000 0.747 158 L CB -0.647 41.221 42.059 -0.318 0.000 0.896 158 L HN 0.483 nan 8.230 nan 0.000 0.432 159 Q N -0.478 119.274 119.800 -0.081 0.000 2.084 159 Q HA -0.255 4.085 4.340 0.000 0.000 0.202 159 Q C 2.164 178.143 176.000 -0.034 0.000 0.978 159 Q CA 1.549 57.323 55.803 -0.050 0.000 0.844 159 Q CB -0.066 28.652 28.738 -0.034 0.000 0.898 159 Q HN 0.266 nan 8.270 nan 0.000 0.426 160 E N 0.880 121.065 120.200 -0.024 0.000 2.106 160 E HA -0.105 4.245 4.350 0.000 0.000 0.192 160 E C 1.668 178.246 176.600 -0.036 0.000 0.984 160 E CA 0.891 57.281 56.400 -0.018 0.000 0.806 160 E CB -0.117 29.584 29.700 0.001 0.000 0.750 160 E HN 0.341 nan 8.360 nan 0.000 0.458 161 I N 0.290 120.829 120.570 -0.052 0.000 2.226 161 I HA -0.282 3.889 4.170 0.000 0.000 0.245 161 I C 2.450 178.536 176.117 -0.053 0.000 1.100 161 I CA 1.171 62.423 61.300 -0.078 0.000 1.374 161 I CB -0.264 37.673 38.000 -0.105 0.000 1.057 161 I HN 0.058 nan 8.210 nan 0.000 0.413 162 R N 1.123 121.597 120.500 -0.044 0.000 2.091 162 R HA -0.151 4.189 4.340 0.000 0.000 0.238 162 R C 2.122 178.414 176.300 -0.013 0.000 1.136 162 R CA 2.319 58.403 56.100 -0.027 0.000 0.959 162 R CB -1.241 29.038 30.300 -0.033 0.000 0.856 162 R HN 0.216 nan 8.270 nan 0.000 0.437 163 T N 1.236 115.780 114.554 -0.017 0.000 2.746 163 T HA -0.057 4.293 4.350 0.000 0.000 0.267 163 T C 1.703 176.401 174.700 -0.004 0.000 1.039 163 T CA 1.613 63.708 62.100 -0.008 0.000 1.142 163 T CB -0.163 68.699 68.868 -0.010 0.000 0.866 163 T HN 0.159 nan 8.240 nan 0.000 0.444 164 L N 0.278 121.491 121.223 -0.017 0.000 2.093 164 L HA 0.023 4.363 4.340 0.000 0.000 0.208 164 L C 2.456 179.321 176.870 -0.008 0.000 1.085 164 L CA 0.943 55.772 54.840 -0.020 0.000 0.755 164 L CB -0.579 41.455 42.059 -0.043 0.000 0.904 164 L HN 0.257 nan 8.230 nan 0.000 0.435 165 L N -0.295 120.928 121.223 0.000 0.000 2.056 165 L HA -0.188 4.152 4.340 0.000 0.000 0.207 165 L C 2.277 179.218 176.870 0.118 0.000 1.078 165 L CA 1.017 55.886 54.840 0.048 0.000 0.749 165 L CB -0.576 41.518 42.059 0.059 0.000 0.901 165 L HN 0.319 nan 8.230 nan 0.000 0.433 166 N N -0.273 118.469 118.700 0.070 0.000 2.166 166 N HA -0.221 4.519 4.740 0.000 0.000 0.186 166 N C 1.829 177.379 175.510 0.068 0.000 1.019 166 N CA 0.952 54.042 53.050 0.066 0.000 0.856 166 N CB -0.196 38.309 38.487 0.031 0.000 0.993 166 N HN 0.251 nan 8.380 nan 0.000 0.426 167 Q N 0.730 120.560 119.800 0.051 0.000 2.123 167 Q HA -0.066 4.274 4.340 0.000 0.000 0.199 167 Q C 1.892 177.935 176.000 0.071 0.000 0.966 167 Q CA 1.361 57.191 55.803 0.045 0.000 0.845 167 Q CB -0.325 28.427 28.738 0.023 0.000 0.907 167 Q HN 0.215 nan 8.270 nan 0.000 0.439 168 Q N -0.633 119.221 119.800 0.091 0.000 2.124 168 Q HA -0.106 4.235 4.340 0.000 0.000 0.202 168 Q C 1.835 178.009 176.000 0.291 0.000 0.977 168 Q CA 2.228 58.112 55.803 0.136 0.000 0.850 168 Q CB -0.591 28.158 28.738 0.019 0.000 0.901 168 Q HN 0.469 nan 8.270 nan 0.000 0.429 169 T N 0.388 115.132 114.554 0.316 0.000 2.684 169 T HA -0.142 4.208 4.350 0.000 0.000 0.267 169 T C 1.678 176.419 174.700 0.069 0.000 1.036 169 T CA 1.593 63.789 62.100 0.160 0.000 1.148 169 T CB -0.265 68.643 68.868 0.066 0.000 0.863 169 T HN 0.282 nan 8.240 nan 0.000 0.436 170 I N 0.814 121.422 120.570 0.064 0.000 2.252 170 I HA -0.167 4.004 4.170 0.000 0.000 0.245 170 I C 2.742 178.882 176.117 0.039 0.000 1.102 170 I CA 1.099 62.419 61.300 0.034 0.000 1.385 170 I CB -0.693 37.323 38.000 0.026 0.000 1.064 170 I HN 0.230 nan 8.210 nan 0.000 0.414 171 T N 0.140 114.728 114.554 0.057 0.000 2.720 171 T HA -0.188 4.162 4.350 0.000 0.000 0.268 171 T C 1.293 176.025 174.700 0.054 0.000 1.037 171 T CA 1.620 63.750 62.100 0.049 0.000 1.144 171 T CB -0.251 68.648 68.868 0.052 0.000 0.864 171 T HN 0.280 nan 8.240 nan 0.000 0.444 172 D N 0.024 120.477 120.400 0.088 0.000 2.340 172 D HA 0.223 4.863 4.640 0.000 0.000 0.220 172 D C 1.425 177.745 176.300 0.032 0.000 1.039 172 D CA 0.466 54.517 54.000 0.086 0.000 0.866 172 D CB -0.320 40.592 40.800 0.188 0.000 0.913 172 D HN 0.461 nan 8.370 nan 0.000 0.523 173 G N 1.642 110.450 108.800 0.013 0.000 2.273 173 G HA2 -0.325 3.635 3.960 0.000 0.000 0.280 173 G HA3 -0.325 3.635 3.960 0.000 0.000 0.280 173 G C 0.817 175.688 174.900 -0.047 0.000 1.047 173 G CA -0.181 44.910 45.100 -0.013 0.000 0.869 173 G HN 0.190 nan 8.290 nan 0.000 0.502 174 R N -0.652 119.796 120.500 -0.086 0.000 2.568 174 R HA 0.176 4.516 4.340 0.000 0.000 0.288 174 R C 1.890 178.096 176.300 -0.156 0.000 1.077 174 R CA 0.120 56.114 56.100 -0.177 0.000 1.102 174 R CB 0.202 30.261 30.300 -0.402 0.000 1.278 174 R HN 0.573 nan 8.270 nan 0.000 0.560 175 Q N -0.090 119.657 119.800 -0.088 0.000 2.291 175 Q HA -0.028 4.313 4.340 0.000 0.000 0.206 175 Q C 1.904 177.864 176.000 -0.067 0.000 0.976 175 Q CA 1.684 57.446 55.803 -0.068 0.000 0.875 175 Q CB -0.061 28.653 28.738 -0.040 0.000 0.927 175 Q HN 0.298 nan 8.270 nan 0.000 0.450 176 A N -0.449 122.329 122.820 -0.070 0.000 2.066 176 A HA 0.043 4.364 4.320 0.000 0.000 0.218 176 A C 0.780 178.321 177.584 -0.072 0.000 1.157 176 A CA 0.640 52.642 52.037 -0.059 0.000 0.670 176 A CB 0.236 19.207 19.000 -0.049 0.000 0.804 176 A HN 0.291 nan 8.150 nan 0.000 0.453 177 L N 0.344 121.500 121.223 -0.112 0.000 2.448 177 L HA 0.387 4.727 4.340 0.000 0.000 0.257 177 L C -2.908 173.839 176.870 -0.204 0.000 1.504 177 L CA -1.937 52.829 54.840 -0.123 0.000 0.852 177 L CB 1.654 43.646 42.059 -0.112 0.000 1.051 177 L HN -0.125 nan 8.230 nan 0.000 0.518 178 P HA 0.112 nan 4.420 nan 0.000 0.269 178 P C -0.930 176.276 177.300 -0.157 0.000 1.209 178 P CA 0.167 63.151 63.100 -0.194 0.000 0.776 178 P CB 0.191 31.847 31.700 -0.074 0.000 0.876 179 Y N 0.457 120.776 120.300 0.032 0.000 2.597 179 Y HA 0.103 4.654 4.550 0.001 0.000 0.336 179 Y C 1.457 177.380 175.900 0.038 0.000 1.216 179 Y CA 0.878 59.006 58.100 0.047 0.000 1.463 179 Y CB -0.014 38.475 38.460 0.049 0.000 1.303 179 Y HN 0.321 nan 8.280 nan 0.000 0.576 180 Q N 1.472 121.405 119.800 0.221 0.000 2.445 180 Q HA 0.682 5.022 4.340 0.000 0.000 0.281 180 Q C -1.733 174.316 176.000 0.082 0.000 1.101 180 Q CA -1.404 54.479 55.803 0.133 0.000 0.833 180 Q CB 2.807 31.649 28.738 0.174 0.000 1.416 180 Q HN 0.529 nan 8.270 nan 0.000 0.451 181 L N 0.841 122.084 121.223 0.034 0.000 2.406 181 L HA 0.592 4.933 4.340 0.000 0.000 0.272 181 L C -1.122 175.748 176.870 0.000 0.000 0.980 181 L CA 0.068 54.902 54.840 -0.009 0.000 0.831 181 L CB 2.052 44.092 42.059 -0.033 0.000 1.253 181 L HN 0.804 nan 8.230 nan 0.000 0.406 182 T N 2.764 117.321 114.554 0.005 0.000 2.901 182 T HA 0.825 5.176 4.350 0.000 0.000 0.293 182 T C -0.315 174.414 174.700 0.049 0.000 1.084 182 T CA -0.666 61.458 62.100 0.039 0.000 1.008 182 T CB 1.644 70.546 68.868 0.056 0.000 1.170 182 T HN 0.788 nan 8.240 nan 0.000 0.509 183 I N -1.486 119.140 120.570 0.092 0.000 2.934 183 I HA 0.892 5.062 4.170 0.000 0.000 0.306 183 I C -0.466 175.752 176.117 0.167 0.000 1.110 183 I CA -1.848 59.539 61.300 0.145 0.000 1.019 183 I CB 1.882 39.998 38.000 0.193 0.000 1.227 183 I HN 0.907 nan 8.210 nan 0.000 0.434 184 A N 2.997 125.942 122.820 0.208 0.000 2.309 184 A HA 0.738 5.058 4.320 0.000 0.000 0.290 184 A C 0.228 177.948 177.584 0.226 0.000 1.206 184 A CA -0.014 52.157 52.037 0.223 0.000 0.850 184 A CB -0.014 19.142 19.000 0.260 0.000 1.118 184 A HN 1.078 nan 8.150 nan 0.000 0.523 185 G N 0.831 109.773 108.800 0.236 0.000 2.417 185 G HA2 0.626 4.587 3.960 0.000 0.000 0.334 185 G HA3 0.626 4.587 3.960 0.000 0.000 0.334 185 G C 0.219 175.325 174.900 0.343 0.000 1.150 185 G CA -0.050 45.248 45.100 0.330 0.000 0.923 185 G HN 1.386 nan 8.290 nan 0.000 0.485 186 A N -0.193 122.851 122.820 0.374 0.000 2.531 186 A HA 0.494 4.814 4.320 0.000 0.000 0.236 186 A C 1.400 179.047 177.584 0.105 0.000 1.062 186 A CA 0.643 52.719 52.037 0.066 0.000 0.760 186 A CB 0.413 19.234 19.000 -0.298 0.000 0.995 186 A HN 1.467 nan 8.150 nan 0.000 0.501 187 G N 1.099 109.917 108.800 0.029 0.000 3.159 187 G HA2 0.478 4.438 3.960 0.000 0.000 0.232 187 G HA3 0.478 4.438 3.960 0.000 0.000 0.232 187 G C 0.426 175.337 174.900 0.018 0.000 1.116 187 G CA 0.628 45.728 45.100 -0.001 0.000 0.767 187 G HN 1.294 nan 8.290 nan 0.000 0.547 188 G N -1.629 107.188 108.800 0.028 0.000 2.659 188 G HA2 0.535 4.496 3.960 0.000 0.000 0.296 188 G HA3 0.535 4.496 3.960 0.000 0.000 0.296 188 G C 0.665 175.526 174.900 -0.064 0.000 1.369 188 G CA 0.299 45.412 45.100 0.022 0.000 0.937 188 G HN 0.318 nan 8.290 nan 0.000 0.485 189 A N 0.459 123.185 122.820 -0.157 0.000 2.019 189 A HA 0.111 4.431 4.320 0.000 0.000 0.219 189 A C 1.853 179.179 177.584 -0.431 0.000 1.164 189 A CA 1.489 53.297 52.037 -0.382 0.000 0.644 189 A CB -0.511 18.206 19.000 -0.473 0.000 0.805 189 A HN 0.573 nan 8.150 nan 0.000 0.449 190 F N -1.347 118.491 119.950 -0.185 0.000 2.084 190 F HA -0.069 4.458 4.527 0.001 0.000 0.296 190 F C 2.028 177.620 175.800 -0.348 0.000 1.111 190 F CA 1.378 59.208 58.000 -0.283 0.000 1.224 190 F CB -0.850 37.932 39.000 -0.365 0.000 0.991 190 F HN 0.207 nan 8.300 nan 0.000 0.471 191 F N -0.493 119.404 119.950 -0.088 0.000 2.206 191 F HA -0.100 4.427 4.527 0.000 0.000 0.298 191 F C 2.214 177.699 175.800 -0.525 0.000 1.090 191 F CA 0.570 58.366 58.000 -0.339 0.000 1.323 191 F CB -1.069 37.554 39.000 -0.629 0.000 1.028 191 F HN -0.099 nan 8.300 nan 0.000 0.492 192 L N 0.458 121.468 121.223 -0.355 0.000 2.079 192 L HA -0.210 4.131 4.340 0.000 0.000 0.210 192 L C 2.572 179.051 176.870 -0.651 0.000 1.081 192 L CA 2.054 56.526 54.840 -0.614 0.000 0.752 192 L CB -1.196 40.610 42.059 -0.422 0.000 0.896 192 L HN 0.207 nan 8.230 nan 0.000 0.433 193 S N -0.998 114.424 115.700 -0.462 0.000 2.440 193 S HA -0.247 4.223 4.470 0.000 0.000 0.238 193 S C 2.061 176.494 174.600 -0.278 0.000 1.010 193 S CA 1.044 59.013 58.200 -0.385 0.000 0.972 193 S CB -0.690 62.310 63.200 -0.333 0.000 0.774 193 S HN 0.574 nan 8.310 nan 0.000 0.501 194 R N 0.282 120.625 120.500 -0.262 0.000 2.096 194 R HA -0.088 4.252 4.340 0.000 0.000 0.235 194 R C 1.665 177.929 176.300 -0.059 0.000 1.127 194 R CA 1.898 57.929 56.100 -0.114 0.000 0.968 194 R CB -0.346 29.958 30.300 0.008 0.000 0.861 194 R HN 0.915 nan 8.270 nan 0.000 0.440 195 Y N -5.223 115.036 120.300 -0.068 0.000 2.563 195 Y HA 0.226 4.776 4.550 0.000 0.000 0.250 195 Y C 1.292 177.178 175.900 -0.022 0.000 1.126 195 Y CA -1.272 56.794 58.100 -0.057 0.000 1.231 195 Y CB -0.723 37.687 38.460 -0.084 0.000 1.288 195 Y HN -0.114 nan 8.280 nan 0.000 0.537 196 Y N 2.763 122.832 120.300 -0.384 0.000 2.193 196 Y HA -0.299 4.251 4.550 0.000 0.000 0.285 196 Y C 2.644 178.458 175.900 -0.143 0.000 1.166 196 Y CA 2.314 60.231 58.100 -0.306 0.000 1.181 196 Y CB -0.429 37.792 38.460 -0.398 0.000 0.976 196 Y HN 0.360 nan 8.280 nan 0.000 0.520 197 S N -0.758 114.874 115.700 -0.112 0.000 2.442 197 S HA -0.164 4.307 4.470 0.000 0.000 0.236 197 S C 1.409 175.932 174.600 -0.129 0.000 1.007 197 S CA 1.390 59.484 58.200 -0.176 0.000 0.965 197 S CB -0.359 62.767 63.200 -0.123 0.000 0.773 197 S HN 0.551 nan 8.310 nan 0.000 0.504 198 K N 0.327 120.699 120.400 -0.047 0.000 2.514 198 K HA 0.427 4.747 4.320 0.000 0.000 0.207 198 K C 1.006 177.622 176.600 0.027 0.000 1.035 198 K CA -0.214 56.074 56.287 0.002 0.000 1.113 198 K CB 0.130 32.658 32.500 0.046 0.000 0.846 198 K HN 0.253 nan 8.250 nan 0.000 0.491 199 L N 0.727 121.935 121.223 -0.025 0.000 2.042 199 L HA -0.260 4.080 4.340 0.000 0.000 0.210 199 L C 2.342 179.230 176.870 0.031 0.000 1.076 199 L CA 1.622 56.479 54.840 0.029 0.000 0.749 199 L CB -0.329 41.669 42.059 -0.102 0.000 0.893 199 L HN 0.346 nan 8.230 nan 0.000 0.432 200 A N -0.778 122.039 122.820 -0.005 0.000 1.902 200 A HA -0.271 4.049 4.320 0.000 0.000 0.217 200 A C 2.091 179.683 177.584 0.015 0.000 1.181 200 A CA 1.637 53.681 52.037 0.011 0.000 0.623 200 A CB -0.443 18.560 19.000 0.005 0.000 0.818 200 A HN 0.535 nan 8.150 nan 0.000 0.443 201 Q N -0.738 119.070 119.800 0.013 0.000 2.167 201 Q HA -0.031 4.310 4.340 0.000 0.000 0.202 201 Q C 1.950 177.949 176.000 -0.002 0.000 0.970 201 Q CA 1.265 57.072 55.803 0.007 0.000 0.855 201 Q CB -0.250 28.495 28.738 0.012 0.000 0.911 201 Q HN 0.749 nan 8.270 nan 0.000 0.438 202 I N -0.286 120.296 120.570 0.020 0.000 2.315 202 I HA -0.212 3.958 4.170 0.000 0.000 0.248 202 I C 1.942 178.056 176.117 -0.006 0.000 1.117 202 I CA 0.785 62.087 61.300 0.003 0.000 1.404 202 I CB 0.020 38.066 38.000 0.076 0.000 1.071 202 I HN 0.019 nan 8.210 nan 0.000 0.419 203 V N 0.712 120.644 119.914 0.030 0.000 2.951 203 V HA -0.091 4.029 4.120 0.000 0.000 0.255 203 V C 2.616 178.708 176.094 -0.003 0.000 1.088 203 V CA 1.282 63.599 62.300 0.030 0.000 1.109 203 V CB -0.644 31.221 31.823 0.070 0.000 0.724 203 V HN 0.424 nan 8.190 nan 0.000 0.471 204 A N 1.346 124.160 122.820 -0.010 0.000 1.892 204 A HA -0.153 4.168 4.320 0.000 0.000 0.218 204 A C 0.489 178.051 177.584 -0.036 0.000 1.188 204 A CA 2.228 54.253 52.037 -0.020 0.000 0.631 204 A CB -1.879 17.112 19.000 -0.016 0.000 0.822 204 A HN 0.581 nan 8.150 nan 0.000 0.447 205 P HA 0.137 nan 4.420 nan 0.000 0.242 205 P C -0.058 177.206 177.300 -0.059 0.000 1.197 205 P CA 0.500 63.567 63.100 -0.055 0.000 0.765 205 P CB -0.078 31.578 31.700 -0.073 0.000 0.936 206 L N -0.217 120.971 121.223 -0.059 0.000 2.343 206 L HA 0.268 4.608 4.340 0.000 0.000 0.275 206 L C 1.341 178.139 176.870 -0.119 0.000 1.056 206 L CA -0.599 54.202 54.840 -0.064 0.000 0.804 206 L CB 0.954 42.995 42.059 -0.030 0.000 1.203 206 L HN -0.225 nan 8.230 nan 0.000 0.440 207 D N 0.607 120.909 120.400 -0.163 0.000 2.123 207 D HA -0.045 4.596 4.640 0.000 0.000 0.200 207 D C -0.513 175.373 176.300 -0.690 0.000 0.976 207 D CA 1.844 55.594 54.000 -0.417 0.000 0.831 207 D CB 0.301 40.886 40.800 -0.359 0.000 0.974 207 D HN 0.306 nan 8.370 nan 0.000 0.469 208 Y N -0.917 119.368 120.300 -0.026 0.000 2.571 208 Y HA 0.425 4.975 4.550 0.000 0.000 0.341 208 Y C -0.659 175.235 175.900 -0.010 0.000 1.076 208 Y CA -0.928 57.154 58.100 -0.031 0.000 1.029 208 Y CB 1.996 40.408 38.460 -0.081 0.000 1.308 208 Y HN -0.284 nan 8.280 nan 0.000 0.461 209 I N 3.129 123.808 120.570 0.181 0.000 2.355 209 I HA 0.450 4.620 4.170 0.000 0.000 0.288 209 I C -1.283 174.896 176.117 0.104 0.000 0.999 209 I CA -0.593 60.788 61.300 0.135 0.000 1.163 209 I CB 0.476 38.558 38.000 0.138 0.000 1.316 209 I HN 0.580 nan 8.210 nan 0.000 0.454 210 N N 8.775 127.537 118.700 0.102 0.000 2.462 210 N HA 0.347 5.087 4.740 0.000 0.000 0.242 210 N C -0.813 174.746 175.510 0.082 0.000 1.010 210 N CA -0.236 52.862 53.050 0.080 0.000 0.939 210 N CB 1.441 39.987 38.487 0.099 0.000 1.127 210 N HN 0.557 nan 8.380 nan 0.000 0.509 211 L N 2.034 123.268 121.223 0.018 0.000 2.331 211 L HA 0.303 4.643 4.340 0.000 0.000 0.278 211 L C 1.056 177.874 176.870 -0.086 0.000 1.106 211 L CA -0.101 54.721 54.840 -0.030 0.000 0.824 211 L CB 0.539 42.529 42.059 -0.114 0.000 1.142 211 L HN 0.335 nan 8.230 nan 0.000 0.443 212 M N 3.330 122.835 119.600 -0.157 0.000 3.586 212 M HA 0.072 4.552 4.480 0.000 0.000 0.225 212 M C 0.270 176.160 176.300 -0.684 0.000 1.428 212 M CA -0.172 54.782 55.300 -0.577 0.000 1.613 212 M CB -0.484 31.903 32.600 -0.354 0.000 1.063 212 M HN 0.545 nan 8.290 nan 0.000 0.593 213 T N -0.091 114.176 114.554 -0.479 0.000 4.309 213 T HA 0.315 4.665 4.350 0.000 0.000 0.242 213 T C -0.554 174.117 174.700 -0.048 0.000 1.142 213 T CA -0.279 61.708 62.100 -0.188 0.000 1.042 213 T CB -1.080 67.753 68.868 -0.059 0.000 1.366 213 T HN 0.518 nan 8.240 nan 0.000 0.942 214 Y N -2.900 117.474 120.300 0.123 0.000 2.788 214 Y HA 0.526 5.077 4.550 0.000 0.000 0.335 214 Y C -0.416 175.593 175.900 0.182 0.000 1.287 214 Y CA -1.977 56.209 58.100 0.143 0.000 1.068 214 Y CB -0.106 38.447 38.460 0.155 0.000 1.340 214 Y HN 0.118 nan 8.280 nan 0.000 0.449 215 D N 0.280 120.990 120.400 0.517 0.000 2.811 215 D HA -0.167 4.473 4.640 0.000 0.000 0.231 215 D C 0.401 176.956 176.300 0.424 0.000 1.157 215 D CA 1.222 55.522 54.000 0.499 0.000 0.716 215 D CB -0.979 40.086 40.800 0.442 0.000 1.077 215 D HN 0.723 nan 8.370 nan 0.000 0.428 216 L N -1.617 119.772 121.223 0.278 0.000 2.591 216 L HA 0.333 4.674 4.340 0.000 0.000 0.228 216 L C 1.140 178.086 176.870 0.126 0.000 1.133 216 L CA 0.575 55.509 54.840 0.156 0.000 0.880 216 L CB 0.019 42.123 42.059 0.074 0.000 1.033 216 L HN 0.209 nan 8.230 nan 0.000 0.450 217 A N -0.604 122.322 122.820 0.177 0.000 2.587 217 A HA 0.858 5.178 4.320 0.000 0.000 0.293 217 A C -0.452 177.008 177.584 -0.206 0.000 1.087 217 A CA 0.025 52.098 52.037 0.061 0.000 0.692 217 A CB 1.752 20.840 19.000 0.146 0.000 1.291 217 A HN 0.078 nan 8.150 nan 0.000 0.407 218 G N -0.584 107.867 108.800 -0.581 0.000 2.338 218 G HA2 0.518 4.478 3.960 0.000 0.000 0.295 218 G HA3 0.518 4.478 3.960 0.000 0.000 0.295 218 G C -2.961 171.272 174.900 -1.112 0.000 1.461 218 G CA -0.234 44.032 45.100 -1.390 0.000 0.817 218 G HN 0.338 nan 8.290 nan 0.000 0.556 219 P HA -0.014 nan 4.420 nan 0.000 0.225 219 P C 1.341 178.695 177.300 0.089 0.000 1.148 219 P CA 1.319 64.254 63.100 -0.274 0.000 0.779 219 P CB -0.098 31.524 31.700 -0.131 0.000 0.780 220 W N -0.363 121.032 121.300 0.159 0.000 2.699 220 W HA 0.166 4.827 4.660 0.000 0.000 0.249 220 W C 0.165 176.777 176.519 0.154 0.000 1.280 220 W CA -0.016 57.406 57.345 0.128 0.000 1.345 220 W CB -0.829 28.664 29.460 0.055 0.000 1.128 220 W HN -0.187 nan 8.180 nan 0.000 0.642 221 E N 0.654 120.811 120.200 -0.071 0.000 2.202 221 E HA 0.273 4.624 4.350 0.000 0.000 0.272 221 E C 1.083 177.817 176.600 0.223 0.000 0.951 221 E CA 0.066 56.529 56.400 0.104 0.000 0.813 221 E CB 1.545 31.298 29.700 0.088 0.000 1.151 221 E HN 0.084 nan 8.360 nan 0.000 0.398 222 K N 1.000 121.489 120.400 0.149 0.000 2.296 222 K HA 0.093 4.413 4.320 0.000 0.000 0.200 222 K C 0.865 177.533 176.600 0.114 0.000 1.048 222 K CA 0.687 57.018 56.287 0.074 0.000 0.966 222 K CB 0.068 32.560 32.500 -0.015 0.000 0.754 222 K HN 0.225 nan 8.250 nan 0.000 0.466 223 V N 2.677 122.647 119.914 0.094 0.000 2.417 223 V HA 0.280 4.400 4.120 0.000 0.000 0.291 223 V C 0.427 176.443 176.094 -0.131 0.000 1.024 223 V CA -0.665 61.633 62.300 -0.003 0.000 0.861 223 V CB 1.240 33.025 31.823 -0.064 0.000 0.985 223 V HN 0.558 nan 8.190 nan 0.000 0.436 224 T N 2.175 116.485 114.554 -0.407 0.000 2.932 224 T HA 0.383 4.733 4.350 0.000 0.000 0.312 224 T C -0.188 174.137 174.700 -0.625 0.000 1.071 224 T CA -0.140 61.372 62.100 -0.981 0.000 1.128 224 T CB 0.910 68.868 68.868 -1.518 0.000 0.984 224 T HN 0.724 nan 8.240 nan 0.000 0.549 225 N N -0.261 118.148 118.700 -0.484 0.000 3.116 225 N HA 0.230 4.970 4.740 0.000 0.000 0.244 225 N C -1.933 173.563 175.510 -0.024 0.000 1.485 225 N CA -0.776 52.188 53.050 -0.145 0.000 0.884 225 N CB 0.960 39.501 38.487 0.090 0.000 1.415 225 N HN 0.798 nan 8.380 nan 0.000 0.524 226 H N 0.523 119.701 119.070 0.179 0.000 2.803 226 H HA 0.127 4.683 4.556 0.001 0.000 0.330 226 H C 0.556 175.968 175.328 0.139 0.000 1.057 226 H CA 0.240 56.380 56.048 0.152 0.000 1.458 226 H CB 0.964 30.766 29.762 0.065 0.000 1.470 226 H HN 0.471 nan 8.280 nan 0.000 0.560 227 Q N 2.165 122.111 119.800 0.244 0.000 2.425 227 Q HA 0.201 4.542 4.340 0.000 0.000 0.204 227 Q C 0.307 176.422 176.000 0.192 0.000 0.933 227 Q CA 0.674 56.605 55.803 0.214 0.000 0.939 227 Q CB 0.737 29.611 28.738 0.227 0.000 1.044 227 Q HN 0.546 nan 8.270 nan 0.000 0.513 228 A N 0.490 123.406 122.820 0.159 0.000 3.106 228 A HA 0.664 4.984 4.320 0.000 0.000 0.227 228 A C -0.068 177.534 177.584 0.030 0.000 0.920 228 A CA -0.247 51.858 52.037 0.114 0.000 1.088 228 A CB 0.139 19.234 19.000 0.158 0.000 1.233 228 A HN 0.364 nan 8.150 nan 0.000 0.503 229 A N 0.072 122.903 122.820 0.018 0.000 2.546 229 A HA 0.385 4.705 4.320 0.000 0.000 0.243 229 A C 1.201 178.691 177.584 -0.156 0.000 1.063 229 A CA 0.265 52.247 52.037 -0.091 0.000 0.757 229 A CB 0.069 19.045 19.000 -0.040 0.000 0.991 229 A HN 1.324 nan 8.150 nan 0.000 0.503 230 L N 3.056 124.108 121.223 -0.285 0.000 2.023 230 L HA 0.230 4.570 4.340 0.000 0.000 0.205 230 L C 0.223 176.705 176.870 -0.647 0.000 1.073 230 L CA 1.793 56.303 54.840 -0.550 0.000 0.745 230 L CB -0.516 41.107 42.059 -0.727 0.000 0.900 230 L HN 0.618 nan 8.230 nan 0.000 0.435 231 F N -1.207 118.688 119.950 -0.092 0.000 2.594 231 F HA 0.651 5.179 4.527 0.000 0.000 0.335 231 F C 0.920 176.699 175.800 -0.035 0.000 1.058 231 F CA -0.894 57.085 58.000 -0.035 0.000 0.981 231 F CB 0.347 39.337 39.000 -0.017 0.000 1.289 231 F HN -0.092 nan 8.300 nan 0.000 0.490 232 G N -0.396 108.532 108.800 0.214 0.000 2.451 232 G HA2 0.412 4.372 3.960 0.000 0.000 0.303 232 G HA3 0.412 4.372 3.960 0.000 0.000 0.303 232 G C -1.720 173.213 174.900 0.055 0.000 1.166 232 G CA -0.241 44.920 45.100 0.103 0.000 0.884 232 G HN 0.491 nan 8.290 nan 0.000 0.514 233 D N 0.649 121.055 120.400 0.009 0.000 2.381 233 D HA 0.453 5.094 4.640 0.000 0.000 0.235 233 D C 1.153 177.396 176.300 -0.094 0.000 1.068 233 D CA -0.209 53.778 54.000 -0.021 0.000 0.832 233 D CB 1.643 42.463 40.800 0.033 0.000 1.101 233 D HN 0.299 nan 8.370 nan 0.000 0.515 234 A N 3.485 126.264 122.820 -0.068 0.000 2.076 234 A HA -0.059 4.261 4.320 0.000 0.000 0.220 234 A C 1.901 179.394 177.584 -0.152 0.000 1.160 234 A CA 1.854 53.837 52.037 -0.089 0.000 0.653 234 A CB -0.296 18.673 19.000 -0.052 0.000 0.801 234 A HN 0.601 nan 8.150 nan 0.000 0.455 235 A N -0.601 122.116 122.820 -0.172 0.000 2.119 235 A HA 0.423 4.743 4.320 0.000 0.000 0.216 235 A C 1.472 178.675 177.584 -0.635 0.000 1.152 235 A CA 0.956 52.859 52.037 -0.224 0.000 0.708 235 A CB -0.711 18.279 19.000 -0.016 0.000 0.805 235 A HN 0.688 nan 8.150 nan 0.000 0.460 236 G N -0.084 108.172 108.800 -0.908 0.000 2.557 236 G HA2 0.496 4.456 3.960 0.000 0.000 0.292 236 G HA3 0.496 4.456 3.960 0.000 0.000 0.292 236 G C -2.501 172.033 174.900 -0.611 0.000 1.237 236 G CA -1.350 42.920 45.100 -1.385 0.000 0.978 236 G HN 0.176 nan 8.290 nan 0.000 0.498 237 P HA 0.242 nan 4.420 nan 0.000 0.272 237 P C -0.151 176.969 177.300 -0.299 0.000 1.230 237 P CA 0.020 62.914 63.100 -0.343 0.000 0.788 237 P CB 1.162 32.680 31.700 -0.303 0.000 0.949 238 T N -1.585 112.737 114.554 -0.387 0.000 2.930 238 T HA 0.742 5.093 4.350 0.000 0.000 0.290 238 T C -0.752 173.631 174.700 -0.529 0.000 1.052 238 T CA -0.568 61.362 62.100 -0.284 0.000 1.017 238 T CB 0.973 69.758 68.868 -0.138 0.000 1.137 238 T HN 0.173 nan 8.240 nan 0.000 0.511 239 F N -0.242 119.630 119.950 -0.131 0.000 2.588 239 F HA 0.493 5.021 4.527 0.000 0.000 0.314 239 F C -0.302 175.635 175.800 0.228 0.000 1.069 239 F CA -1.451 56.578 58.000 0.048 0.000 0.931 239 F CB 1.453 40.447 39.000 -0.010 0.000 1.260 239 F HN 0.732 nan 8.300 nan 0.000 0.465 240 Y N 2.656 123.185 120.300 0.382 0.000 2.810 240 Y HA -0.024 4.527 4.550 0.001 0.000 0.332 240 Y C 0.463 176.498 175.900 0.224 0.000 1.243 240 Y CA 0.155 58.429 58.100 0.290 0.000 1.537 240 Y CB 0.181 38.825 38.460 0.306 0.000 1.265 240 Y HN 0.449 nan 8.280 nan 0.000 0.572 241 N N 5.202 123.869 118.700 -0.056 0.000 2.521 241 N HA 0.170 4.910 4.740 0.000 0.000 0.236 241 N C 0.381 175.681 175.510 -0.350 0.000 1.067 241 N CA 0.542 53.453 53.050 -0.232 0.000 0.939 241 N CB 0.850 39.108 38.487 -0.382 0.000 1.201 241 N HN 0.856 nan 8.380 nan 0.000 0.511 242 A N 4.215 126.849 122.820 -0.310 0.000 2.125 242 A HA -0.071 4.249 4.320 0.000 0.000 0.219 242 A C 2.038 179.351 177.584 -0.452 0.000 1.156 242 A CA 0.729 52.642 52.037 -0.207 0.000 0.671 242 A CB -0.291 18.538 19.000 -0.285 0.000 0.794 242 A HN 0.743 nan 8.150 nan 0.000 0.459 243 L N -1.026 119.717 121.223 -0.801 0.000 2.265 243 L HA -0.187 4.153 4.340 0.000 0.000 0.215 243 L C 2.478 178.621 176.870 -1.212 0.000 1.117 243 L CA 1.155 55.253 54.840 -1.238 0.000 0.782 243 L CB -0.471 40.407 42.059 -1.968 0.000 0.914 243 L HN 0.401 nan 8.230 nan 0.000 0.441 244 R N -0.110 119.883 120.500 -0.846 0.000 2.285 244 R HA -0.091 4.250 4.340 0.000 0.000 0.213 244 R C 1.290 177.464 176.300 -0.209 0.000 1.068 244 R CA 0.597 56.481 56.100 -0.360 0.000 1.004 244 R CB -0.087 30.099 30.300 -0.189 0.000 0.873 244 R HN 0.316 nan 8.270 nan 0.000 0.467 245 E N 0.302 120.369 120.200 -0.221 0.000 2.481 245 E HA 0.180 4.530 4.350 0.000 0.000 0.198 245 E C 0.136 176.649 176.600 -0.145 0.000 1.027 245 E CA -0.022 56.311 56.400 -0.111 0.000 0.900 245 E CB 0.690 30.374 29.700 -0.027 0.000 0.993 245 E HN 0.240 nan 8.360 nan 0.000 0.482 246 A N 1.857 124.535 122.820 -0.237 0.000 2.445 246 A HA 0.097 4.417 4.320 0.000 0.000 0.242 246 A C 0.498 177.978 177.584 -0.174 0.000 1.075 246 A CA -0.302 51.612 52.037 -0.205 0.000 0.777 246 A CB 0.053 18.904 19.000 -0.249 0.000 1.013 246 A HN -0.021 nan 8.150 nan 0.000 0.493 247 N N 1.808 120.429 118.700 -0.133 0.000 2.739 247 N HA 0.231 4.971 4.740 0.000 0.000 0.266 247 N C 0.285 175.694 175.510 -0.167 0.000 1.168 247 N CA 0.124 53.105 53.050 -0.114 0.000 1.055 247 N CB -0.380 38.069 38.487 -0.064 0.000 1.393 247 N HN 0.601 nan 8.380 nan 0.000 0.514 248 L N 0.724 121.780 121.223 -0.278 0.000 2.470 248 L HA 0.302 4.643 4.340 0.000 0.000 0.219 248 L C 1.449 178.135 176.870 -0.306 0.000 1.071 248 L CA 0.338 54.873 54.840 -0.509 0.000 0.850 248 L CB -0.023 41.337 42.059 -1.165 0.000 1.040 248 L HN 0.595 nan 8.230 nan 0.000 0.475 249 G N -0.764 107.983 108.800 -0.088 0.000 2.147 249 G HA2 -0.233 3.727 3.960 0.000 0.000 0.244 249 G HA3 -0.233 3.727 3.960 0.000 0.000 0.244 249 G C -0.304 174.778 174.900 0.304 0.000 1.005 249 G CA -0.299 44.863 45.100 0.103 0.000 0.713 249 G HN 0.103 nan 8.290 nan 0.000 0.515 250 W N 1.119 122.460 121.300 0.069 0.000 2.359 250 W HA 0.718 5.378 4.660 0.001 0.000 0.344 250 W C 1.149 177.715 176.519 0.080 0.000 1.170 250 W CA -0.940 56.440 57.345 0.059 0.000 1.296 250 W CB 0.688 30.175 29.460 0.045 0.000 1.197 250 W HN 0.533 nan 8.180 nan 0.000 0.618 251 S N 0.272 116.159 115.700 0.311 0.000 2.624 251 S HA 0.025 4.495 4.470 0.000 0.000 0.263 251 S C 0.690 175.465 174.600 0.292 0.000 1.287 251 S CA -0.418 57.943 58.200 0.268 0.000 0.990 251 S CB 0.747 64.084 63.200 0.229 0.000 0.950 251 S HN 0.604 nan 8.310 nan 0.000 0.561 252 W N 1.210 122.588 121.300 0.130 0.000 2.321 252 W HA -0.121 4.539 4.660 0.000 0.000 0.306 252 W C 2.162 178.736 176.519 0.092 0.000 1.217 252 W CA 1.880 59.291 57.345 0.110 0.000 1.257 252 W CB -0.152 29.360 29.460 0.087 0.000 1.145 252 W HN 0.788 nan 8.180 nan 0.000 0.509 253 E N 0.310 120.779 120.200 0.448 0.000 2.077 253 E HA -0.230 4.120 4.350 0.000 0.000 0.193 253 E C 1.872 178.477 176.600 0.008 0.000 0.989 253 E CA 1.847 58.408 56.400 0.268 0.000 0.800 253 E CB -0.586 29.267 29.700 0.256 0.000 0.746 253 E HN 0.572 nan 8.360 nan 0.000 0.452 254 E N 0.557 120.767 120.200 0.015 0.000 2.051 254 E HA -0.135 4.216 4.350 0.000 0.000 0.192 254 E C 2.379 178.942 176.600 -0.062 0.000 0.991 254 E CA 0.696 57.034 56.400 -0.103 0.000 0.799 254 E CB -0.118 29.501 29.700 -0.134 0.000 0.748 254 E HN 0.174 nan 8.360 nan 0.000 0.449 255 L N 0.569 121.832 121.223 0.066 0.000 2.017 255 L HA -0.182 4.158 4.340 0.000 0.000 0.208 255 L C 2.611 179.400 176.870 -0.135 0.000 1.073 255 L CA 1.291 56.194 54.840 0.106 0.000 0.745 255 L CB -0.555 41.554 42.059 0.083 0.000 0.894 255 L HN 0.165 nan 8.230 nan 0.000 0.432 256 T N -1.035 113.290 114.554 -0.381 0.000 2.777 256 T HA -0.218 4.133 4.350 0.000 0.000 0.266 256 T C 2.014 176.542 174.700 -0.287 0.000 1.040 256 T CA 1.289 63.112 62.100 -0.462 0.000 1.141 256 T CB -0.191 68.168 68.868 -0.848 0.000 0.868 256 T HN 0.247 nan 8.240 nan 0.000 0.444 257 R N 0.768 121.118 120.500 -0.249 0.000 2.092 257 R HA 0.050 4.390 4.340 0.000 0.000 0.231 257 R C 2.470 178.599 176.300 -0.284 0.000 1.119 257 R CA 1.227 57.194 56.100 -0.222 0.000 0.970 257 R CB -0.302 29.884 30.300 -0.189 0.000 0.864 257 R HN 0.364 nan 8.270 nan 0.000 0.440 258 A N -0.036 122.538 122.820 -0.409 0.000 1.970 258 A HA 0.024 4.345 4.320 0.000 0.000 0.216 258 A C 0.217 177.456 177.584 -0.575 0.000 1.170 258 A CA 0.622 52.294 52.037 -0.607 0.000 0.645 258 A CB 0.170 18.525 19.000 -1.074 0.000 0.816 258 A HN 0.269 nan 8.150 nan 0.000 0.447 259 F N -0.047 119.853 119.950 -0.084 0.000 2.531 259 F HA 0.376 4.903 4.527 0.001 0.000 0.333 259 F C -2.816 172.839 175.800 -0.242 0.000 1.292 259 F CA -3.722 54.184 58.000 -0.158 0.000 1.184 259 F CB 0.393 39.275 39.000 -0.197 0.000 1.426 259 F HN -0.088 nan 8.300 nan 0.000 0.559 260 P HA 0.069 nan 4.420 nan 0.000 0.264 260 P C -0.040 177.229 177.300 -0.052 0.000 1.183 260 P CA 0.337 63.352 63.100 -0.142 0.000 0.763 260 P CB 1.042 32.614 31.700 -0.214 0.000 0.807 261 S N 2.283 117.962 115.700 -0.034 0.000 2.566 261 S HA 0.593 5.063 4.470 0.000 0.000 0.273 261 S C -2.754 171.851 174.600 0.009 0.000 1.157 261 S CA -1.231 56.973 58.200 0.007 0.000 0.938 261 S CB 0.372 63.483 63.200 -0.147 0.000 1.087 261 S HN 0.175 nan 8.310 nan 0.000 0.474 262 P HA 0.538 nan 4.420 nan 0.000 0.274 262 P C -0.895 176.555 177.300 0.250 0.000 1.246 262 P CA -0.296 62.892 63.100 0.147 0.000 0.795 262 P CB 0.159 31.896 31.700 0.062 0.000 1.006 263 F N -2.583 117.415 119.950 0.080 0.000 2.650 263 F HA 0.653 5.180 4.527 0.000 0.000 0.320 263 F C -0.802 175.108 175.800 0.183 0.000 1.091 263 F CA -1.346 56.722 58.000 0.113 0.000 0.962 263 F CB 0.554 39.649 39.000 0.160 0.000 1.363 263 F HN 0.080 nan 8.300 nan 0.000 0.482 264 S N 2.057 117.757 115.700 -0.000 0.000 2.439 264 S HA 0.379 4.849 4.470 0.000 0.000 0.282 264 S C -0.516 173.958 174.600 -0.211 0.000 1.170 264 S CA -0.410 57.740 58.200 -0.084 0.000 1.054 264 S CB 0.619 63.859 63.200 0.067 0.000 0.956 264 S HN 0.636 nan 8.310 nan 0.000 0.490 265 L N 6.162 127.185 121.223 -0.333 0.000 2.462 265 L HA 0.283 4.623 4.340 0.000 0.000 0.283 265 L C 0.528 177.367 176.870 -0.053 0.000 1.166 265 L CA 0.571 55.236 54.840 -0.291 0.000 0.964 265 L CB -0.866 40.910 42.059 -0.473 0.000 1.294 265 L HN 0.785 nan 8.230 nan 0.000 0.449 266 T N -0.271 114.305 114.554 0.038 0.000 2.887 266 T HA 0.424 4.774 4.350 0.000 0.000 0.292 266 T C 1.087 175.786 174.700 -0.003 0.000 1.087 266 T CA -0.506 61.608 62.100 0.024 0.000 1.009 266 T CB 1.098 69.994 68.868 0.047 0.000 1.203 266 T HN -0.047 nan 8.240 nan 0.000 0.518 267 V N 0.808 120.675 119.914 -0.078 0.000 2.343 267 V HA -0.109 4.011 4.120 0.000 0.000 0.247 267 V C 2.534 178.550 176.094 -0.129 0.000 1.051 267 V CA 2.497 64.729 62.300 -0.115 0.000 1.036 267 V CB -1.059 30.654 31.823 -0.185 0.000 0.654 267 V HN 1.109 nan 8.190 nan 0.000 0.451 268 D N 0.478 120.752 120.400 -0.209 0.000 2.123 268 D HA -0.180 4.460 4.640 0.000 0.000 0.196 268 D C 2.065 178.440 176.300 0.125 0.000 0.992 268 D CA 1.598 55.572 54.000 -0.044 0.000 0.833 268 D CB -0.142 40.703 40.800 0.074 0.000 0.954 268 D HN 0.381 nan 8.370 nan 0.000 0.455 269 A N 0.468 123.349 122.820 0.101 0.000 1.877 269 A HA 0.055 4.375 4.320 0.000 0.000 0.216 269 A C 2.429 179.903 177.584 -0.185 0.000 1.186 269 A CA 2.177 54.179 52.037 -0.060 0.000 0.620 269 A CB -1.191 17.918 19.000 0.183 0.000 0.822 269 A HN 0.356 nan 8.150 nan 0.000 0.443 270 A N -0.585 122.219 122.820 -0.027 0.000 1.902 270 A HA -0.005 4.316 4.320 0.000 0.000 0.217 270 A C 2.247 179.925 177.584 0.156 0.000 1.181 270 A CA 1.830 53.894 52.037 0.046 0.000 0.623 270 A CB -0.961 18.071 19.000 0.053 0.000 0.818 270 A HN 0.385 nan 8.150 nan 0.000 0.443 271 V N 0.065 120.047 119.914 0.113 0.000 2.295 271 V HA -0.257 3.863 4.120 0.000 0.000 0.246 271 V C 2.706 178.925 176.094 0.208 0.000 1.049 271 V CA 2.063 64.465 62.300 0.169 0.000 1.024 271 V CB -0.742 31.246 31.823 0.274 0.000 0.648 271 V HN 0.551 nan 8.190 nan 0.000 0.447 272 Q N -0.362 119.543 119.800 0.176 0.000 2.224 272 Q HA -0.196 4.144 4.340 0.000 0.000 0.203 272 Q C 2.224 178.296 176.000 0.120 0.000 0.970 272 Q CA 1.354 57.263 55.803 0.176 0.000 0.865 272 Q CB -0.357 28.533 28.738 0.253 0.000 0.922 272 Q HN 0.711 nan 8.270 nan 0.000 0.445 273 Q N -0.555 119.226 119.800 -0.032 0.000 2.124 273 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 273 Q C 1.779 177.929 176.000 0.249 0.000 0.977 273 Q CA 1.303 57.120 55.803 0.023 0.000 0.850 273 Q CB -0.145 28.469 28.738 -0.207 0.000 0.901 273 Q HN 0.544 nan 8.270 nan 0.000 0.429 274 H N -0.054 119.116 119.070 0.168 0.000 2.357 274 H HA -0.046 4.510 4.556 0.000 0.000 0.301 274 H C 1.742 177.153 175.328 0.139 0.000 1.082 274 H CA 1.152 57.307 56.048 0.178 0.000 1.342 274 H CB 0.006 29.851 29.762 0.139 0.000 1.389 274 H HN 0.119 nan 8.280 nan 0.000 0.511 275 L N -0.269 121.104 121.223 0.249 0.000 2.376 275 L HA -0.096 4.245 4.340 0.000 0.000 0.219 275 L C 1.973 178.929 176.870 0.142 0.000 1.133 275 L CA 0.498 55.439 54.840 0.168 0.000 0.816 275 L CB -0.231 41.916 42.059 0.146 0.000 0.933 275 L HN 0.369 nan 8.230 nan 0.000 0.449 276 M N -1.191 118.513 119.600 0.174 0.000 2.229 276 M HA -0.089 4.391 4.480 0.000 0.000 0.264 276 M C 0.610 176.997 176.300 0.145 0.000 1.063 276 M CA 1.049 56.449 55.300 0.167 0.000 1.114 276 M CB -0.104 32.644 32.600 0.246 0.000 1.387 276 M HN 0.155 nan 8.290 nan 0.000 0.420 277 M N 1.155 120.829 119.600 0.123 0.000 2.185 277 M HA 0.146 4.627 4.480 0.000 0.000 0.357 277 M C 0.136 176.464 176.300 0.047 0.000 1.260 277 M CA -0.094 55.239 55.300 0.055 0.000 1.124 277 M CB 0.410 32.939 32.600 -0.118 0.000 1.600 277 M HN 0.103 nan 8.290 nan 0.000 0.467 278 E N 0.973 121.203 120.200 0.050 0.000 2.442 278 E HA 0.224 4.574 4.350 0.000 0.000 0.262 278 E C 0.956 177.574 176.600 0.029 0.000 1.004 278 E CA 1.020 57.443 56.400 0.038 0.000 0.928 278 E CB 0.392 30.118 29.700 0.042 0.000 0.937 278 E HN 0.916 nan 8.360 nan 0.000 0.446 279 G N 2.591 111.407 108.800 0.028 0.000 2.143 279 G HA2 -0.238 3.722 3.960 0.000 0.000 0.249 279 G HA3 -0.238 3.722 3.960 0.000 0.000 0.249 279 G C -0.119 174.799 174.900 0.031 0.000 0.981 279 G CA 0.144 45.258 45.100 0.024 0.000 0.665 279 G HN 0.469 nan 8.290 nan 0.000 0.528 280 V N 2.860 122.801 119.914 0.045 0.000 2.293 280 V HA 0.448 4.568 4.120 0.000 0.000 0.275 280 V C -1.506 174.629 176.094 0.069 0.000 1.021 280 V CA -1.441 60.900 62.300 0.068 0.000 0.815 280 V CB 1.417 33.299 31.823 0.099 0.000 1.025 280 V HN 0.252 nan 8.190 nan 0.000 0.448 281 P HA 0.201 nan 4.420 nan 0.000 0.279 281 P C 1.013 178.348 177.300 0.059 0.000 1.239 281 P CA -0.204 62.923 63.100 0.045 0.000 0.789 281 P CB 1.406 33.121 31.700 0.025 0.000 0.933 282 S N 2.353 118.086 115.700 0.056 0.000 2.400 282 S HA -0.189 4.282 4.470 0.000 0.000 0.232 282 S C 1.833 176.472 174.600 0.066 0.000 1.025 282 S CA 1.020 59.258 58.200 0.062 0.000 0.993 282 S CB -1.260 61.968 63.200 0.047 0.000 0.808 282 S HN 0.505 nan 8.310 nan 0.000 0.478 283 A N 1.580 124.433 122.820 0.055 0.000 2.178 283 A HA 0.050 4.370 4.320 0.000 0.000 0.218 283 A C 2.127 179.775 177.584 0.108 0.000 1.157 283 A CA 1.132 53.210 52.037 0.068 0.000 0.689 283 A CB -0.398 18.627 19.000 0.041 0.000 0.787 283 A HN 0.619 nan 8.150 nan 0.000 0.465 284 K N -0.765 119.685 120.400 0.084 0.000 2.361 284 K HA 0.268 4.589 4.320 0.000 0.000 0.194 284 K C -0.314 176.396 176.600 0.183 0.000 1.032 284 K CA -0.007 56.342 56.287 0.104 0.000 1.048 284 K CB 0.257 32.771 32.500 0.024 0.000 0.842 284 K HN 0.452 nan 8.250 nan 0.000 0.526 285 I N 2.168 122.816 120.570 0.129 0.000 2.396 285 I HA 0.049 4.220 4.170 0.000 0.000 0.289 285 I C -0.330 175.833 176.117 0.078 0.000 1.056 285 I CA -0.472 60.877 61.300 0.081 0.000 1.365 285 I CB 1.146 39.173 38.000 0.046 0.000 1.407 285 I HN -0.278 nan 8.210 nan 0.000 0.509 286 V N 7.591 127.532 119.914 0.045 0.000 2.417 286 V HA 0.309 4.430 4.120 0.000 0.000 0.291 286 V C 0.134 176.243 176.094 0.026 0.000 1.024 286 V CA -0.683 61.619 62.300 0.003 0.000 0.861 286 V CB 1.804 33.573 31.823 -0.089 0.000 0.985 286 V HN 0.698 nan 8.190 nan 0.000 0.436 287 M N 4.391 124.030 119.600 0.064 0.000 2.120 287 M HA 0.497 4.977 4.480 0.000 0.000 0.354 287 M C 0.554 176.923 176.300 0.114 0.000 1.287 287 M CA -0.127 55.222 55.300 0.083 0.000 1.103 287 M CB 0.483 33.158 32.600 0.124 0.000 1.623 287 M HN 0.803 nan 8.290 nan 0.000 0.471 288 G N 4.043 112.916 108.800 0.121 0.000 2.444 288 G HA2 0.522 4.483 3.960 0.000 0.000 0.268 288 G HA3 0.522 4.483 3.960 0.000 0.000 0.268 288 G C -0.826 174.298 174.900 0.374 0.000 1.203 288 G CA -0.519 44.746 45.100 0.275 0.000 0.835 288 G HN 0.833 nan 8.290 nan 0.000 0.543 289 V N -0.633 119.564 119.914 0.471 0.000 2.925 289 V HA 0.851 4.971 4.120 0.000 0.000 0.311 289 V C -2.736 173.594 176.094 0.393 0.000 1.104 289 V CA -2.704 59.854 62.300 0.429 0.000 0.954 289 V CB 2.601 34.537 31.823 0.188 0.000 1.022 289 V HN 0.640 nan 8.190 nan 0.000 0.427 290 P HA 0.446 nan 4.420 nan 0.000 0.290 290 P C -0.695 176.800 177.300 0.325 0.000 1.276 290 P CA -0.244 62.811 63.100 -0.075 0.000 0.808 290 P CB 1.193 32.513 31.700 -0.633 0.000 0.966 291 F N 2.151 122.150 119.950 0.082 0.000 2.660 291 F HA 0.222 4.750 4.527 0.000 0.000 0.297 291 F C 0.522 176.406 175.800 0.140 0.000 1.132 291 F CA -0.590 57.463 58.000 0.088 0.000 1.372 291 F CB -0.847 38.178 39.000 0.041 0.000 1.003 291 F HN 0.257 nan 8.300 nan 0.000 0.524 292 Y N -2.587 117.855 120.300 0.236 0.000 2.609 292 Y HA 0.865 5.415 4.550 0.001 0.000 0.342 292 Y C -0.093 175.907 175.900 0.165 0.000 1.058 292 Y CA -2.048 56.140 58.100 0.147 0.000 1.055 292 Y CB 0.969 39.495 38.460 0.109 0.000 1.292 292 Y HN -0.115 nan 8.280 nan 0.000 0.476 293 G N 1.097 110.002 108.800 0.176 0.000 2.568 293 G HA2 0.733 4.693 3.960 0.000 0.000 0.313 293 G HA3 0.733 4.693 3.960 0.000 0.000 0.313 293 G C -1.525 173.489 174.900 0.191 0.000 1.227 293 G CA -1.563 43.618 45.100 0.135 0.000 0.979 293 G HN 0.675 nan 8.290 nan 0.000 0.486 294 R N -0.485 120.103 120.500 0.147 0.000 2.599 294 R HA 0.670 5.010 4.340 0.000 0.000 0.295 294 R C -0.621 175.710 176.300 0.052 0.000 0.963 294 R CA -0.572 55.576 56.100 0.080 0.000 0.883 294 R CB 2.282 32.620 30.300 0.062 0.000 1.171 294 R HN 0.643 nan 8.270 nan 0.000 0.450 295 A N 2.964 125.767 122.820 -0.029 0.000 2.355 295 A HA 0.830 5.150 4.320 0.000 0.000 0.324 295 A C -1.287 176.384 177.584 0.146 0.000 1.117 295 A CA -0.539 51.598 52.037 0.166 0.000 0.785 295 A CB 0.820 19.932 19.000 0.185 0.000 1.254 295 A HN 0.528 nan 8.150 nan 0.000 0.453 296 F N 0.607 120.739 119.950 0.304 0.000 2.565 296 F HA 0.592 5.119 4.527 0.000 0.000 0.313 296 F C 0.390 176.173 175.800 -0.029 0.000 1.091 296 F CA -0.724 57.353 58.000 0.129 0.000 0.915 296 F CB 2.284 41.267 39.000 -0.029 0.000 1.208 296 F HN 0.714 nan 8.300 nan 0.000 0.453 297 K N -0.395 119.887 120.400 -0.196 0.000 2.306 297 K HA 0.818 5.138 4.320 0.000 0.000 0.236 297 K C 0.479 177.005 176.600 -0.124 0.000 1.013 297 K CA -0.639 55.398 56.287 -0.418 0.000 0.857 297 K CB 1.871 33.634 32.500 -1.228 0.000 1.214 297 K HN 0.953 nan 8.250 nan 0.000 0.449 298 G N -0.118 108.616 108.800 -0.110 0.000 2.176 298 G HA2 -0.242 3.718 3.960 0.000 0.000 0.252 298 G HA3 -0.242 3.718 3.960 0.000 0.000 0.252 298 G C 0.010 174.928 174.900 0.031 0.000 1.024 298 G CA 0.202 45.281 45.100 -0.035 0.000 0.755 298 G HN 0.957 nan 8.290 nan 0.000 0.507 299 V N -1.920 118.036 119.914 0.070 0.000 2.785 299 V HA 0.857 4.977 4.120 0.000 0.000 0.300 299 V C 0.694 176.837 176.094 0.081 0.000 1.062 299 V CA -0.007 62.334 62.300 0.068 0.000 1.029 299 V CB 1.628 33.507 31.823 0.093 0.000 1.024 299 V HN 0.540 nan 8.190 nan 0.000 0.477 300 S N 2.691 118.403 115.700 0.021 0.000 2.617 300 S HA 0.559 5.029 4.470 0.000 0.000 0.269 300 S C 1.122 175.725 174.600 0.004 0.000 1.292 300 S CA 0.095 58.304 58.200 0.016 0.000 1.010 300 S CB 1.418 64.599 63.200 -0.032 0.000 0.944 300 S HN 1.271 nan 8.310 nan 0.000 0.536 301 G N 0.329 109.149 108.800 0.033 0.000 2.986 301 G HA2 0.223 4.183 3.960 0.000 0.000 0.213 301 G HA3 0.223 4.183 3.960 0.000 0.000 0.213 301 G C 1.152 175.989 174.900 -0.106 0.000 1.156 301 G CA 0.148 45.249 45.100 0.002 0.000 0.763 301 G HN 0.784 nan 8.290 nan 0.000 0.547 302 G N 0.435 109.184 108.800 -0.085 0.000 2.498 302 G HA2 -0.167 3.793 3.960 0.000 0.000 0.219 302 G HA3 -0.167 3.793 3.960 0.000 0.000 0.219 302 G C 0.950 175.780 174.900 -0.117 0.000 1.119 302 G CA 0.647 45.699 45.100 -0.080 0.000 0.766 302 G HN 0.410 nan 8.290 nan 0.000 0.552 303 N N -0.697 117.881 118.700 -0.203 0.000 2.622 303 N HA 0.268 5.008 4.740 0.000 0.000 0.304 303 N C 0.874 176.213 175.510 -0.286 0.000 1.844 303 N CA 0.202 53.132 53.050 -0.200 0.000 0.886 303 N CB -0.133 38.239 38.487 -0.191 0.000 1.366 303 N HN 0.225 nan 8.380 nan 0.000 0.491 304 G N 0.167 108.733 108.800 -0.390 0.000 2.283 304 G HA2 -0.183 3.777 3.960 0.000 0.000 0.280 304 G HA3 -0.183 3.777 3.960 0.000 0.000 0.280 304 G C 1.044 175.553 174.900 -0.651 0.000 1.029 304 G CA 0.684 45.425 45.100 -0.599 0.000 0.840 304 G HN 1.282 nan 8.290 nan 0.000 0.505 305 G N -1.975 106.405 108.800 -0.700 0.000 2.205 305 G HA2 -0.273 3.688 3.960 0.000 0.000 0.261 305 G HA3 -0.273 3.688 3.960 0.000 0.000 0.261 305 G C 0.405 174.786 174.900 -0.865 0.000 0.980 305 G CA 0.983 45.852 45.100 -0.385 0.000 0.632 305 G HN 1.215 nan 8.290 nan 0.000 0.533 306 Q N -0.701 118.504 119.800 -0.992 0.000 2.314 306 Q HA 0.486 4.826 4.340 0.000 0.000 0.258 306 Q C 0.341 175.722 176.000 -1.032 0.000 0.954 306 Q CA -0.417 54.493 55.803 -1.488 0.000 0.890 306 Q CB 0.341 28.022 28.738 -1.762 0.000 1.210 306 Q HN 0.633 nan 8.270 nan 0.000 0.410 307 Y N -1.288 118.621 120.300 -0.652 0.000 3.568 307 Y HA -0.239 4.311 4.550 0.000 0.000 0.220 307 Y C -0.142 175.557 175.900 -0.334 0.000 1.319 307 Y CA 0.579 58.432 58.100 -0.412 0.000 1.629 307 Y CB -2.270 36.016 38.460 -0.289 0.000 1.515 307 Y HN 0.501 nan 8.280 nan 0.000 0.613 308 S N -0.327 115.200 115.700 -0.289 0.000 2.537 308 S HA 0.896 5.367 4.470 0.000 0.000 0.301 308 S C 0.560 175.089 174.600 -0.118 0.000 1.092 308 S CA 0.033 58.113 58.200 -0.201 0.000 1.048 308 S CB 1.312 64.369 63.200 -0.239 0.000 1.053 308 S HN 0.764 nan 8.310 nan 0.000 0.501 309 S N 2.215 117.874 115.700 -0.068 0.000 2.596 309 S HA 0.531 5.002 4.470 0.000 0.000 0.260 309 S C 0.200 174.815 174.600 0.025 0.000 1.336 309 S CA 0.058 58.236 58.200 -0.037 0.000 0.993 309 S CB -0.030 nan 63.200 nan 0.000 0.923 309 S HN 0.998 nan 8.310 nan 0.000 0.567 310 H N -2.434 116.614 119.070 -0.037 0.000 2.981 310 H HA 0.596 5.152 4.556 0.001 0.000 0.327 310 H C -0.848 174.486 175.328 0.010 0.000 1.342 310 H CA -0.134 55.913 56.048 -0.001 0.000 1.123 310 H CB 0.763 30.576 29.762 0.085 0.000 1.851 310 H HN 0.661 nan 8.280 nan 0.000 0.531 311 S N 0.051 115.803 115.700 0.086 0.000 2.711 311 S HA 0.184 4.654 4.470 0.000 0.000 0.247 311 S C -0.478 174.160 174.600 0.064 0.000 1.079 311 S CA -0.464 57.736 58.200 0.001 0.000 1.050 311 S CB -0.562 62.611 63.200 -0.046 0.000 0.885 311 S HN 0.575 nan 8.310 nan 0.000 0.498 312 T N 5.176 119.879 114.554 0.248 0.000 2.761 312 T HA 0.417 4.767 4.350 0.000 0.000 0.296 312 T C -2.645 172.243 174.700 0.314 0.000 0.934 312 T CA -1.139 61.155 62.100 0.322 0.000 1.091 312 T CB 0.685 69.769 68.868 0.360 0.000 0.896 312 T HN 0.258 nan 8.240 nan 0.000 0.515 313 P HA 0.234 nan 4.420 nan 0.000 0.271 313 P C 0.826 178.291 177.300 0.275 0.000 1.216 313 P CA -0.212 63.032 63.100 0.241 0.000 0.776 313 P CB 0.627 32.450 31.700 0.205 0.000 0.881 314 G N 1.282 110.230 108.800 0.247 0.000 3.020 314 G HA2 0.006 3.966 3.960 0.000 0.000 0.217 314 G HA3 0.006 3.966 3.960 0.000 0.000 0.217 314 G C 0.249 175.311 174.900 0.270 0.000 1.144 314 G CA -0.156 45.128 45.100 0.307 0.000 0.760 314 G HN 0.576 nan 8.290 nan 0.000 0.548 315 E N 1.213 121.530 120.200 0.194 0.000 2.349 315 E HA 0.315 4.666 4.350 0.000 0.000 0.262 315 E C -1.334 175.355 176.600 0.149 0.000 1.088 315 E CA -0.270 56.215 56.400 0.142 0.000 0.899 315 E CB 1.374 31.132 29.700 0.096 0.000 1.044 315 E HN -0.062 nan 8.360 nan 0.000 0.420 316 D N 2.205 122.674 120.400 0.115 0.000 2.505 316 D HA 0.356 4.996 4.640 0.000 0.000 0.249 316 D C -1.809 174.552 176.300 0.100 0.000 1.082 316 D CA -1.088 52.980 54.000 0.114 0.000 0.839 316 D CB 1.763 42.615 40.800 0.087 0.000 1.317 316 D HN 0.370 nan 8.370 nan 0.000 0.497 317 P HA 0.155 nan 4.420 nan 0.000 0.277 317 P C -0.410 176.988 177.300 0.164 0.000 1.271 317 P CA -0.514 62.664 63.100 0.130 0.000 0.795 317 P CB 0.620 32.389 31.700 0.117 0.000 1.101 318 Y N 2.609 122.953 120.300 0.073 0.000 2.802 318 Y HA 0.025 4.575 4.550 0.001 0.000 0.333 318 Y C -1.278 174.679 175.900 0.095 0.000 1.244 318 Y CA -1.303 56.854 58.100 0.094 0.000 1.558 318 Y CB 0.029 38.547 38.460 0.097 0.000 1.233 318 Y HN 0.247 nan 8.280 nan 0.000 0.547 319 P HA 0.066 nan 4.420 nan 0.000 0.257 319 P C -0.477 176.628 177.300 -0.326 0.000 1.325 319 P CA 0.309 63.265 63.100 -0.240 0.000 0.850 319 P CB 0.388 31.996 31.700 -0.153 0.000 1.324 320 S N -0.538 114.793 115.700 -0.616 0.000 2.704 320 S HA 0.487 4.958 4.470 0.000 0.000 0.296 320 S C 0.707 175.215 174.600 -0.153 0.000 1.138 320 S CA -0.071 57.905 58.200 -0.375 0.000 0.875 320 S CB 1.179 64.134 63.200 -0.407 0.000 1.151 320 S HN -0.005 nan 8.310 nan 0.000 0.500 321 T N -1.267 113.198 114.554 -0.150 0.000 3.054 321 T HA 0.243 4.594 4.350 0.000 0.000 0.255 321 T C -0.081 174.202 174.700 -0.695 0.000 1.035 321 T CA -0.051 61.857 62.100 -0.320 0.000 0.941 321 T CB -0.383 68.378 68.868 -0.178 0.000 1.026 321 T HN 0.553 nan 8.240 nan 0.000 0.533 322 D N 1.542 121.750 120.400 -0.320 0.000 2.336 322 D HA 0.154 4.794 4.640 0.000 0.000 0.249 322 D C -1.311 174.906 176.300 -0.139 0.000 1.213 322 D CA -0.523 53.378 54.000 -0.166 0.000 0.870 322 D CB 0.128 41.001 40.800 0.122 0.000 1.076 322 D HN 0.261 nan 8.370 nan 0.000 0.483 323 Y N 4.704 125.018 120.300 0.022 0.000 2.491 323 Y HA 0.229 4.779 4.550 0.001 0.000 0.334 323 Y C 0.397 176.210 175.900 -0.145 0.000 0.969 323 Y CA -1.259 56.705 58.100 -0.227 0.000 1.241 323 Y CB 0.462 38.802 38.460 -0.200 0.000 1.105 323 Y HN 0.534 nan 8.280 nan 0.000 0.503 324 W N 2.310 123.666 121.300 0.094 0.000 3.132 324 W HA 0.341 5.002 4.660 0.000 0.000 0.364 324 W C -0.845 175.661 176.519 -0.023 0.000 1.129 324 W CA -0.504 56.856 57.345 0.026 0.000 1.815 324 W CB 0.255 29.739 29.460 0.040 0.000 1.099 324 W HN 0.361 nan 8.180 nan 0.000 0.605 325 L N 3.229 124.409 121.223 -0.072 0.000 2.334 325 L HA 0.294 4.634 4.340 0.000 0.000 0.286 325 L C 0.284 177.129 176.870 -0.040 0.000 1.108 325 L CA -0.540 54.302 54.840 0.004 0.000 0.875 325 L CB 0.521 42.440 42.059 -0.234 0.000 1.246 325 L HN -0.188 nan 8.230 nan 0.000 0.439 326 V N 6.285 126.190 119.914 -0.014 0.000 2.584 326 V HA 0.210 4.330 4.120 0.000 0.000 0.303 326 V C 1.566 177.485 176.094 -0.292 0.000 1.035 326 V CA 1.273 63.488 62.300 -0.141 0.000 1.172 326 V CB -0.012 31.666 31.823 -0.241 0.000 0.896 326 V HN 1.079 nan 8.190 nan 0.000 0.486 327 G N 3.230 111.680 108.800 -0.584 0.000 2.199 327 G HA2 -0.296 3.664 3.960 0.000 0.000 0.254 327 G HA3 -0.296 3.664 3.960 0.000 0.000 0.254 327 G C 0.576 175.209 174.900 -0.445 0.000 0.982 327 G CA 0.075 44.584 45.100 -0.985 0.000 0.632 327 G HN 0.961 nan 8.290 nan 0.000 0.529 328 C N 2.385 121.503 119.300 -0.303 0.000 2.262 328 C HA 0.557 5.018 4.460 0.000 0.000 0.413 328 C C 1.819 176.678 174.990 -0.218 0.000 1.019 328 C CA 0.125 58.993 59.018 -0.249 0.000 1.320 328 C CB -1.422 26.162 27.740 -0.261 0.000 1.657 328 C HN 0.540 nan 8.230 nan 0.000 0.510 329 E N 0.895 120.991 120.200 -0.173 0.000 2.274 329 E HA -0.195 4.155 4.350 0.000 0.000 0.194 329 E C 1.906 178.411 176.600 -0.158 0.000 0.996 329 E CA 0.740 57.057 56.400 -0.140 0.000 0.840 329 E CB 0.149 29.798 29.700 -0.086 0.000 0.772 329 E HN 0.834 nan 8.360 nan 0.000 0.491 330 E N 0.588 120.691 120.200 -0.161 0.000 2.077 330 E HA -0.197 4.154 4.350 0.000 0.000 0.193 330 E C 1.940 178.409 176.600 -0.218 0.000 0.989 330 E CA 1.203 57.510 56.400 -0.156 0.000 0.800 330 E CB 0.006 29.624 29.700 -0.136 0.000 0.746 330 E HN 0.248 nan 8.360 nan 0.000 0.452 331 C N 0.068 119.199 119.300 -0.280 0.000 2.425 331 C HA -0.095 4.365 4.460 0.000 0.000 0.277 331 C C 2.658 177.298 174.990 -0.583 0.000 1.280 331 C CA 0.478 59.256 59.018 -0.400 0.000 1.744 331 C CB -0.791 26.689 27.740 -0.434 0.000 1.989 331 C HN 0.337 nan 8.230 nan 0.000 0.491 332 V N 1.408 121.009 119.914 -0.522 0.000 2.261 332 V HA -0.231 3.889 4.120 0.000 0.000 0.246 332 V C 2.723 178.571 176.094 -0.410 0.000 1.047 332 V CA 2.256 64.193 62.300 -0.604 0.000 1.015 332 V CB -0.815 30.856 31.823 -0.252 0.000 0.642 332 V HN 0.542 nan 8.190 nan 0.000 0.446 333 R N 0.162 120.517 120.500 -0.241 0.000 2.105 333 R HA -0.201 4.139 4.340 0.000 0.000 0.239 333 R C 1.417 177.627 176.300 -0.150 0.000 1.135 333 R CA 2.156 58.167 56.100 -0.149 0.000 0.967 333 R CB -0.271 29.968 30.300 -0.101 0.000 0.861 333 R HN 0.473 nan 8.270 nan 0.000 0.442 334 D N -0.017 120.265 120.400 -0.196 0.000 2.349 334 D HA 0.078 4.719 4.640 0.000 0.000 0.214 334 D C -0.072 176.124 176.300 -0.173 0.000 1.063 334 D CA 0.186 54.099 54.000 -0.144 0.000 0.847 334 D CB 0.400 41.128 40.800 -0.121 0.000 0.933 334 D HN 0.139 nan 8.370 nan 0.000 0.513 335 K N 0.716 120.925 120.400 -0.317 0.000 3.167 335 K HA -0.167 4.153 4.320 0.000 0.000 0.272 335 K C -0.759 175.714 176.600 -0.211 0.000 1.137 335 K CA 0.563 56.673 56.287 -0.296 0.000 0.800 335 K CB -0.959 31.539 32.500 -0.003 0.000 1.253 335 K HN 0.115 nan 8.250 nan 0.000 0.497 336 D N -0.686 119.451 120.400 -0.438 0.000 2.419 336 D HA 0.119 4.759 4.640 0.000 0.000 0.219 336 D C -2.354 173.567 176.300 -0.631 0.000 1.349 336 D CA -1.401 52.309 54.000 -0.482 0.000 0.964 336 D CB 1.413 42.081 40.800 -0.220 0.000 1.463 336 D HN -0.178 nan 8.370 nan 0.000 0.573 337 P HA 0.136 nan 4.420 nan 0.000 0.253 337 P C 0.615 177.396 177.300 -0.865 0.000 1.260 337 P CA 0.082 62.590 63.100 -0.986 0.000 0.800 337 P CB 0.276 31.049 31.700 -1.545 0.000 1.162 338 R N -0.583 119.585 120.500 -0.552 0.000 2.334 338 R HA 0.385 4.725 4.340 0.000 0.000 0.216 338 R C 0.797 177.006 176.300 -0.151 0.000 0.905 338 R CA 0.011 55.958 56.100 -0.254 0.000 1.064 338 R CB 0.380 30.622 30.300 -0.098 0.000 1.046 338 R HN 0.238 nan 8.270 nan 0.000 0.508 339 I N -0.119 120.351 120.570 -0.166 0.000 2.656 339 I HA 0.578 4.748 4.170 0.000 0.000 0.292 339 I C -1.841 174.224 176.117 -0.087 0.000 1.144 339 I CA -0.924 60.345 61.300 -0.051 0.000 1.038 339 I CB 1.987 39.971 38.000 -0.027 0.000 1.244 339 I HN -0.047 nan 8.210 nan 0.000 0.420 340 A N 4.655 127.464 122.820 -0.019 0.000 2.488 340 A HA 0.672 4.993 4.320 0.000 0.000 0.298 340 A C -0.501 177.091 177.584 0.014 0.000 1.044 340 A CA -0.340 51.658 52.037 -0.066 0.000 0.693 340 A CB 1.586 20.491 19.000 -0.159 0.000 1.272 340 A HN 0.813 nan 8.150 nan 0.000 0.402 341 S N 1.238 116.928 115.700 -0.016 0.000 2.576 341 S HA 0.177 4.647 4.470 0.000 0.000 0.272 341 S C 0.933 175.522 174.600 -0.018 0.000 1.352 341 S CA 0.424 58.639 58.200 0.025 0.000 1.021 341 S CB 0.058 63.233 63.200 -0.042 0.000 0.887 341 S HN 1.233 nan 8.310 nan 0.000 0.542 342 Y N 2.606 122.868 120.300 -0.063 0.000 2.114 342 Y HA -0.260 4.290 4.550 0.001 0.000 0.282 342 Y C 2.725 178.537 175.900 -0.146 0.000 1.165 342 Y CA 2.359 60.384 58.100 -0.125 0.000 1.148 342 Y CB -0.420 37.935 38.460 -0.174 0.000 0.972 342 Y HN 0.864 nan 8.280 nan 0.000 0.504 343 R N -0.082 120.319 120.500 -0.164 0.000 2.113 343 R HA -0.316 4.024 4.340 0.000 0.000 0.244 343 R C 2.360 178.495 176.300 -0.275 0.000 1.142 343 R CA 2.268 58.247 56.100 -0.203 0.000 0.953 343 R CB -0.426 29.832 30.300 -0.070 0.000 0.860 343 R HN 0.465 nan 8.270 nan 0.000 0.438 344 Q N 0.434 120.094 119.800 -0.233 0.000 2.096 344 Q HA -0.027 4.314 4.340 0.000 0.000 0.197 344 Q C 2.082 177.896 176.000 -0.310 0.000 0.964 344 Q CA 1.506 57.175 55.803 -0.223 0.000 0.838 344 Q CB -0.181 28.448 28.738 -0.181 0.000 0.906 344 Q HN 0.498 nan 8.270 nan 0.000 0.444 345 L N 0.478 121.457 121.223 -0.407 0.000 2.083 345 L HA -0.157 4.184 4.340 0.000 0.000 0.209 345 L C 2.533 179.084 176.870 -0.532 0.000 1.083 345 L CA 1.797 56.324 54.840 -0.523 0.000 0.752 345 L CB -0.508 41.166 42.059 -0.642 0.000 0.899 345 L HN 0.417 nan 8.230 nan 0.000 0.433 346 E N 0.021 119.833 120.200 -0.647 0.000 2.106 346 E HA -0.253 4.097 4.350 0.000 0.000 0.192 346 E C 2.175 178.610 176.600 -0.276 0.000 0.984 346 E CA 1.031 57.118 56.400 -0.522 0.000 0.806 346 E CB 0.089 29.339 29.700 -0.749 0.000 0.750 346 E HN 0.523 nan 8.360 nan 0.000 0.458 347 Q N -0.199 119.464 119.800 -0.229 0.000 2.124 347 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 347 Q C 2.186 178.176 176.000 -0.016 0.000 0.977 347 Q CA 1.711 57.453 55.803 -0.101 0.000 0.850 347 Q CB -0.020 28.672 28.738 -0.077 0.000 0.901 347 Q HN 0.351 nan 8.270 nan 0.000 0.429 348 M N -0.025 119.532 119.600 -0.071 0.000 2.117 348 M HA -0.188 4.292 4.480 0.000 0.000 0.262 348 M C 1.904 178.278 176.300 0.125 0.000 1.065 348 M CA 1.392 56.728 55.300 0.061 0.000 1.114 348 M CB -0.158 32.295 32.600 -0.244 0.000 1.361 348 M HN 0.198 nan 8.290 nan 0.000 0.408 349 L N -0.418 120.770 121.223 -0.058 0.000 2.265 349 L HA -0.196 4.145 4.340 0.000 0.000 0.215 349 L C 2.178 179.052 176.870 0.006 0.000 1.117 349 L CA 0.702 55.534 54.840 -0.013 0.000 0.782 349 L CB -0.476 41.530 42.059 -0.088 0.000 0.914 349 L HN 0.367 nan 8.230 nan 0.000 0.441 350 Q N -0.715 119.078 119.800 -0.011 0.000 2.319 350 Q HA 0.117 4.457 4.340 0.000 0.000 0.202 350 Q C 1.654 177.626 176.000 -0.047 0.000 0.896 350 Q CA 0.541 56.329 55.803 -0.026 0.000 0.942 350 Q CB 0.873 29.590 28.738 -0.036 0.000 1.083 350 Q HN 0.416 nan 8.270 nan 0.000 0.510 351 G N 0.678 109.455 108.800 -0.038 0.000 3.393 351 G HA2 -0.020 3.941 3.960 0.000 0.000 0.255 351 G HA3 -0.020 3.941 3.960 0.000 0.000 0.255 351 G C 0.343 174.932 174.900 -0.519 0.000 1.097 351 G CA -0.440 44.513 45.100 -0.244 0.000 0.780 351 G HN 0.444 nan 8.290 nan 0.000 0.540 352 N N -0.556 118.019 118.700 -0.208 0.000 2.686 352 N HA -0.232 4.508 4.740 0.000 0.000 0.261 352 N C -0.109 175.272 175.510 -0.216 0.000 1.001 352 N CA 0.111 53.061 53.050 -0.168 0.000 0.764 352 N CB -0.468 37.921 38.487 -0.163 0.000 0.898 352 N HN 0.426 nan 8.380 nan 0.000 0.544 353 Y N -0.630 119.725 120.300 0.092 0.000 2.458 353 Y HA 0.277 4.828 4.550 0.000 0.000 0.256 353 Y C 1.906 177.807 175.900 0.002 0.000 1.159 353 Y CA 0.806 58.969 58.100 0.105 0.000 1.261 353 Y CB 0.685 39.289 38.460 0.241 0.000 1.119 353 Y HN 0.444 nan 8.280 nan 0.000 0.524 354 G N -1.235 107.559 108.800 -0.010 0.000 2.159 354 G HA2 -0.274 3.686 3.960 0.000 0.000 0.227 354 G HA3 -0.274 3.686 3.960 0.000 0.000 0.227 354 G C -0.292 174.327 174.900 -0.468 0.000 0.986 354 G CA -0.594 44.295 45.100 -0.351 0.000 0.651 354 G HN 0.248 nan 8.290 nan 0.000 0.523 355 Y N 0.986 121.289 120.300 0.004 0.000 2.301 355 Y HA 0.568 5.118 4.550 0.000 0.000 0.325 355 Y C 1.059 176.952 175.900 -0.012 0.000 1.203 355 Y CA -0.124 57.990 58.100 0.024 0.000 1.255 355 Y CB 0.849 39.367 38.460 0.096 0.000 1.232 355 Y HN 0.234 nan 8.280 nan 0.000 0.501 356 Q N 2.564 122.464 119.800 0.167 0.000 2.307 356 Q HA 0.387 4.728 4.340 0.000 0.000 0.262 356 Q C -0.638 175.433 176.000 0.118 0.000 0.961 356 Q CA -0.953 54.921 55.803 0.119 0.000 0.882 356 Q CB 2.102 30.910 28.738 0.117 0.000 1.264 356 Q HN 0.492 nan 8.270 nan 0.000 0.446 357 R N 3.675 124.222 120.500 0.078 0.000 2.221 357 R HA 0.431 4.771 4.340 0.000 0.000 0.327 357 R C -1.162 175.123 176.300 -0.025 0.000 1.033 357 R CA -0.060 56.075 56.100 0.058 0.000 0.887 357 R CB 0.363 30.725 30.300 0.104 0.000 1.057 357 R HN 0.613 nan 8.270 nan 0.000 0.455 358 L N 3.477 124.573 121.223 -0.211 0.000 2.279 358 L HA 0.610 4.950 4.340 0.000 0.000 0.262 358 L C -0.768 175.997 176.870 -0.174 0.000 1.019 358 L CA -1.001 53.636 54.840 -0.338 0.000 0.823 358 L CB 2.046 43.613 42.059 -0.819 0.000 1.358 358 L HN 0.623 nan 8.230 nan 0.000 0.432 359 W N 1.861 123.066 121.300 -0.158 0.000 2.839 359 W HA 0.332 4.992 4.660 0.000 0.000 0.334 359 W C -1.480 175.151 176.519 0.186 0.000 1.064 359 W CA -0.555 56.804 57.345 0.024 0.000 1.236 359 W CB 2.012 31.468 29.460 -0.007 0.000 1.405 359 W HN 0.444 nan 8.180 nan 0.000 0.478 360 N N 3.736 122.196 118.700 -0.399 0.000 2.437 360 N HA 0.041 4.781 4.740 0.000 0.000 0.259 360 N C -0.117 174.969 175.510 -0.707 0.000 0.983 360 N CA 0.218 53.061 53.050 -0.344 0.000 0.937 360 N CB 1.375 39.681 38.487 -0.301 0.000 1.122 360 N HN 0.457 nan 8.380 nan 0.000 0.499 361 D N 2.627 122.857 120.400 -0.283 0.000 2.349 361 D HA 0.086 4.727 4.640 0.000 0.000 0.224 361 D C 1.101 177.337 176.300 -0.107 0.000 1.029 361 D CA 0.787 54.722 54.000 -0.109 0.000 0.879 361 D CB 0.594 41.486 40.800 0.152 0.000 0.906 361 D HN 0.468 nan 8.370 nan 0.000 0.528 362 K N -0.986 119.332 120.400 -0.136 0.000 2.121 362 K HA 0.002 4.322 4.320 0.000 0.000 0.203 362 K C 2.036 178.592 176.600 -0.072 0.000 1.041 362 K CA 1.351 57.599 56.287 -0.065 0.000 0.969 362 K CB -0.331 32.151 32.500 -0.029 0.000 0.799 362 K HN 0.200 nan 8.250 nan 0.000 0.456 363 T N -0.580 113.838 114.554 -0.227 0.000 3.055 363 T HA 0.013 4.363 4.350 0.000 0.000 0.265 363 T C 0.491 174.937 174.700 -0.423 0.000 1.111 363 T CA 0.213 62.138 62.100 -0.293 0.000 1.118 363 T CB -0.028 68.545 68.868 -0.492 0.000 0.909 363 T HN 0.006 nan 8.240 nan 0.000 0.501 364 K N 2.169 122.198 120.400 -0.619 0.000 3.150 364 K HA -0.118 4.202 4.320 0.000 0.000 0.267 364 K C -0.007 176.044 176.600 -0.916 0.000 1.028 364 K CA 1.268 57.062 56.287 -0.822 0.000 0.753 364 K CB -2.849 29.295 32.500 -0.593 0.000 1.288 364 K HN 0.902 nan 8.250 nan 0.000 0.473 365 T N -2.435 111.390 114.554 -1.214 0.000 2.903 365 T HA 0.704 5.054 4.350 0.000 0.000 0.299 365 T C -2.917 171.350 174.700 -0.722 0.000 1.093 365 T CA -1.819 59.808 62.100 -0.788 0.000 1.002 365 T CB 3.749 72.359 68.868 -0.431 0.000 1.127 365 T HN -0.149 nan 8.240 nan 0.000 0.488 366 P HA 0.524 nan 4.420 nan 0.000 0.280 366 P C -1.628 175.712 177.300 0.067 0.000 1.272 366 P CA -0.484 62.604 63.100 -0.020 0.000 0.819 366 P CB 0.613 32.212 31.700 -0.168 0.000 1.122 367 Y N -1.966 118.399 120.300 0.109 0.000 2.581 367 Y HA 0.621 5.172 4.550 0.000 0.000 0.337 367 Y C -1.623 174.422 175.900 0.241 0.000 1.108 367 Y CA -1.507 56.674 58.100 0.135 0.000 1.033 367 Y CB 0.564 39.022 38.460 -0.003 0.000 1.318 367 Y HN 0.094 nan 8.280 nan 0.000 0.459 368 L N 3.048 124.402 121.223 0.218 0.000 2.325 368 L HA 0.517 4.857 4.340 0.000 0.000 0.278 368 L C -1.337 175.761 176.870 0.381 0.000 1.023 368 L CA -1.061 53.895 54.840 0.194 0.000 0.811 368 L CB 1.719 43.812 42.059 0.057 0.000 1.249 368 L HN 0.768 nan 8.230 nan 0.000 0.431 369 Y N 1.487 121.945 120.300 0.263 0.000 2.406 369 Y HA 0.355 4.905 4.550 0.000 0.000 0.340 369 Y C -0.964 175.101 175.900 0.275 0.000 0.975 369 Y CA -1.067 57.221 58.100 0.314 0.000 1.056 369 Y CB 1.408 40.036 38.460 0.280 0.000 1.210 369 Y HN 0.526 nan 8.280 nan 0.000 0.448 370 H N 4.944 123.846 119.070 -0.280 0.000 2.673 370 H HA 0.573 5.129 4.556 0.000 0.000 0.293 370 H C 0.377 175.234 175.328 -0.786 0.000 1.065 370 H CA 0.266 56.020 56.048 -0.490 0.000 1.236 370 H CB 1.253 30.741 29.762 -0.457 0.000 1.389 370 H HN 0.860 nan 8.280 nan 0.000 0.481 371 A N 3.452 125.734 122.820 -0.896 0.000 1.929 371 A HA -0.156 4.164 4.320 0.000 0.000 0.216 371 A C 2.138 179.561 177.584 -0.268 0.000 1.176 371 A CA 1.286 52.901 52.037 -0.703 0.000 0.628 371 A CB -0.286 18.513 19.000 -0.335 0.000 0.816 371 A HN 0.804 nan 8.150 nan 0.000 0.444 372 Q N -0.526 119.125 119.800 -0.248 0.000 2.124 372 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 372 Q C 0.824 176.840 176.000 0.028 0.000 0.977 372 Q CA 1.837 57.594 55.803 -0.077 0.000 0.850 372 Q CB -0.058 28.630 28.738 -0.084 0.000 0.901 372 Q HN 0.637 nan 8.270 nan 0.000 0.429 373 N N -1.281 117.492 118.700 0.121 0.000 2.197 373 N HA 0.161 4.901 4.740 0.000 0.000 0.201 373 N C -0.199 175.321 175.510 0.017 0.000 1.148 373 N CA 0.820 53.902 53.050 0.054 0.000 0.883 373 N CB 1.396 39.850 38.487 -0.055 0.000 1.012 373 N HN 0.317 nan 8.380 nan 0.000 0.507 374 G N 0.843 109.660 108.800 0.028 0.000 2.326 374 G HA2 -0.207 3.753 3.960 0.000 0.000 0.286 374 G HA3 -0.207 3.753 3.960 0.000 0.000 0.286 374 G C -0.945 174.028 174.900 0.121 0.000 1.096 374 G CA -0.144 45.004 45.100 0.080 0.000 1.003 374 G HN 0.085 nan 8.290 nan 0.000 0.503 375 L N -0.569 120.756 121.223 0.170 0.000 2.342 375 L HA 0.928 5.268 4.340 0.000 0.000 0.271 375 L C -0.149 177.019 176.870 0.496 0.000 1.008 375 L CA -1.848 53.162 54.840 0.283 0.000 0.818 375 L CB 1.755 43.979 42.059 0.274 0.000 1.296 375 L HN 0.249 nan 8.230 nan 0.000 0.427 376 F N 2.211 122.362 119.950 0.336 0.000 2.561 376 F HA 0.784 5.311 4.527 0.000 0.000 0.313 376 F C -1.190 174.832 175.800 0.369 0.000 1.126 376 F CA -0.698 57.499 58.000 0.328 0.000 0.918 376 F CB 1.730 40.793 39.000 0.105 0.000 1.199 376 F HN 0.101 nan 8.300 nan 0.000 0.444 377 V N 4.313 123.981 119.914 -0.411 0.000 2.577 377 V HA 0.435 4.556 4.120 0.000 0.000 0.303 377 V C -0.420 175.373 176.094 -0.501 0.000 1.042 377 V CA -0.755 61.380 62.300 -0.275 0.000 0.872 377 V CB 1.728 33.481 31.823 -0.118 0.000 0.998 377 V HN 0.838 nan 8.190 nan 0.000 0.423 378 T N 5.295 119.696 114.554 -0.255 0.000 2.767 378 T HA 0.744 5.094 4.350 0.000 0.000 0.284 378 T C -0.906 173.917 174.700 0.206 0.000 0.973 378 T CA -0.150 61.934 62.100 -0.027 0.000 0.996 378 T CB 0.385 69.313 68.868 0.100 0.000 0.927 378 T HN 0.846 nan 8.240 nan 0.000 0.456 379 Y N 1.520 121.821 120.300 0.002 0.000 2.764 379 Y HA 0.786 5.337 4.550 0.001 0.000 0.331 379 Y C -1.652 174.246 175.900 -0.004 0.000 1.280 379 Y CA -1.615 56.475 58.100 -0.016 0.000 1.065 379 Y CB 0.562 39.012 38.460 -0.018 0.000 1.319 379 Y HN 0.489 nan 8.280 nan 0.000 0.453 380 D N 0.626 120.933 120.400 -0.156 0.000 2.433 380 D HA 0.509 5.149 4.640 0.000 0.000 0.236 380 D C -1.317 174.672 176.300 -0.519 0.000 1.026 380 D CA -0.120 53.673 54.000 -0.346 0.000 0.884 380 D CB 1.854 42.586 40.800 -0.113 0.000 1.384 380 D HN 0.726 nan 8.370 nan 0.000 0.477 381 D N -0.682 119.281 120.400 -0.728 0.000 2.867 381 D HA 0.411 5.051 4.640 0.000 0.000 0.308 381 D C 0.300 176.065 176.300 -0.892 0.000 1.202 381 D CA -0.755 52.796 54.000 -0.748 0.000 1.035 381 D CB 0.318 41.002 40.800 -0.194 0.000 1.427 381 D HN 0.271 nan 8.370 nan 0.000 0.570 382 A N -0.613 121.894 122.820 -0.520 0.000 2.067 382 A HA -0.123 4.197 4.320 0.000 0.000 0.219 382 A C 1.866 179.442 177.584 -0.013 0.000 1.158 382 A CA 1.918 53.818 52.037 -0.229 0.000 0.661 382 A CB -0.867 18.063 19.000 -0.116 0.000 0.801 382 A HN 0.656 nan 8.150 nan 0.000 0.452 383 E N 0.320 120.479 120.200 -0.068 0.000 2.051 383 E HA -0.135 4.215 4.350 0.000 0.000 0.189 383 E C 2.206 178.962 176.600 0.260 0.000 0.979 383 E CA 1.219 57.621 56.400 0.004 0.000 0.803 383 E CB -0.083 29.508 29.700 -0.183 0.000 0.761 383 E HN 0.705 nan 8.360 nan 0.000 0.451 384 S N 0.052 115.928 115.700 0.292 0.000 2.419 384 S HA -0.129 4.342 4.470 0.000 0.000 0.233 384 S C 1.717 176.574 174.600 0.428 0.000 1.016 384 S CA 0.625 59.078 58.200 0.421 0.000 0.974 384 S CB -0.471 62.808 63.200 0.132 0.000 0.786 384 S HN 0.215 nan 8.310 nan 0.000 0.492 385 F N 2.376 122.421 119.950 0.158 0.000 2.365 385 F HA 0.236 4.763 4.527 0.000 0.000 0.300 385 F C 2.218 178.044 175.800 0.043 0.000 1.090 385 F CA -0.156 57.929 58.000 0.141 0.000 1.408 385 F CB -0.727 38.362 39.000 0.148 0.000 1.060 385 F HN 0.274 nan 8.300 nan 0.000 0.534 386 K N -0.636 119.746 120.400 -0.030 0.000 2.057 386 K HA -0.200 4.120 4.320 0.000 0.000 0.207 386 K C 1.967 178.395 176.600 -0.287 0.000 1.049 386 K CA 1.777 57.716 56.287 -0.579 0.000 0.931 386 K CB -0.499 31.576 32.500 -0.708 0.000 0.714 386 K HN 0.235 nan 8.250 nan 0.000 0.440 387 Y N 1.268 121.617 120.300 0.080 0.000 2.200 387 Y HA -0.136 4.415 4.550 0.001 0.000 0.290 387 Y C 2.233 178.222 175.900 0.149 0.000 1.137 387 Y CA 1.174 59.359 58.100 0.142 0.000 1.163 387 Y CB -0.119 38.445 38.460 0.172 0.000 0.988 387 Y HN -0.046 nan 8.280 nan 0.000 0.518 388 K N -0.094 120.473 120.400 0.278 0.000 2.057 388 K HA -0.107 4.213 4.320 0.000 0.000 0.206 388 K C 2.384 179.134 176.600 0.250 0.000 1.050 388 K CA 1.036 57.449 56.287 0.210 0.000 0.935 388 K CB -0.332 32.281 32.500 0.187 0.000 0.715 388 K HN 0.272 nan 8.250 nan 0.000 0.439 389 A N 1.730 124.651 122.820 0.169 0.000 1.930 389 A HA -0.206 4.114 4.320 0.000 0.000 0.217 389 A C 2.034 179.785 177.584 0.278 0.000 1.175 389 A CA 1.636 53.766 52.037 0.155 0.000 0.627 389 A CB -0.339 18.558 19.000 -0.171 0.000 0.815 389 A HN 0.217 nan 8.150 nan 0.000 0.443 390 K N -1.740 118.780 120.400 0.200 0.000 2.057 390 K HA -0.208 4.113 4.320 0.000 0.000 0.207 390 K C 1.893 178.661 176.600 0.280 0.000 1.049 390 K CA 1.767 58.180 56.287 0.211 0.000 0.931 390 K CB -0.409 32.180 32.500 0.148 0.000 0.714 390 K HN 0.517 nan 8.250 nan 0.000 0.440 391 Y N 1.102 121.518 120.300 0.194 0.000 2.181 391 Y HA -0.178 4.373 4.550 0.001 0.000 0.288 391 Y C 1.762 177.768 175.900 0.178 0.000 1.146 391 Y CA 1.696 59.910 58.100 0.190 0.000 1.164 391 Y CB -0.034 38.514 38.460 0.146 0.000 0.982 391 Y HN 0.026 nan 8.280 nan 0.000 0.515 392 I N 0.185 120.979 120.570 0.373 0.000 2.208 392 I HA -0.366 3.804 4.170 0.000 0.000 0.245 392 I C 2.288 178.505 176.117 0.167 0.000 1.097 392 I CA 1.702 63.166 61.300 0.273 0.000 1.363 392 I CB -0.344 37.884 38.000 0.380 0.000 1.051 392 I HN 0.206 nan 8.210 nan 0.000 0.413 393 K N 0.278 120.813 120.400 0.225 0.000 2.001 393 K HA -0.201 4.119 4.320 0.000 0.000 0.208 393 K C 2.165 178.810 176.600 0.075 0.000 1.048 393 K CA 1.403 57.783 56.287 0.156 0.000 0.932 393 K CB -0.225 32.398 32.500 0.205 0.000 0.715 393 K HN 0.385 nan 8.250 nan 0.000 0.437 394 Q N 0.359 120.191 119.800 0.053 0.000 2.119 394 Q HA -0.119 4.222 4.340 0.000 0.000 0.201 394 Q C 1.786 177.749 176.000 -0.062 0.000 0.972 394 Q CA 0.976 56.781 55.803 0.003 0.000 0.847 394 Q CB 0.172 28.917 28.738 0.013 0.000 0.903 394 Q HN 0.254 nan 8.270 nan 0.000 0.433 395 Q N 0.065 119.774 119.800 -0.151 0.000 2.403 395 Q HA 0.014 4.355 4.340 0.000 0.000 0.203 395 Q C -0.257 175.710 176.000 -0.055 0.000 0.932 395 Q CA 0.219 55.921 55.803 -0.168 0.000 0.945 395 Q CB 0.634 29.149 28.738 -0.373 0.000 1.045 395 Q HN 0.397 nan 8.270 nan 0.000 0.511 396 Q N 0.448 120.238 119.800 -0.018 0.000 2.468 396 Q HA -0.184 4.157 4.340 0.000 0.000 0.289 396 Q C -0.559 175.454 176.000 0.022 0.000 1.299 396 Q CA 0.216 56.025 55.803 0.010 0.000 0.838 396 Q CB -1.863 26.881 28.738 0.011 0.000 1.195 396 Q HN 0.362 nan 8.270 nan 0.000 0.456 397 L N -1.598 119.643 121.223 0.030 0.000 2.475 397 L HA 0.232 4.572 4.340 0.000 0.000 0.253 397 L C 1.832 178.722 176.870 0.034 0.000 1.198 397 L CA 0.600 55.471 54.840 0.051 0.000 0.814 397 L CB 0.139 42.249 42.059 0.085 0.000 1.134 397 L HN 0.336 nan 8.230 nan 0.000 0.478 398 G N -0.755 108.083 108.800 0.064 0.000 2.511 398 G HA2 0.364 4.324 3.960 0.000 0.000 0.217 398 G HA3 0.364 4.324 3.960 0.000 0.000 0.217 398 G C 0.558 175.407 174.900 -0.084 0.000 1.133 398 G CA 0.752 45.905 45.100 0.090 0.000 0.792 398 G HN 0.953 nan 8.290 nan 0.000 0.539 399 G N -1.949 106.779 108.800 -0.120 0.000 2.373 399 G HA2 0.349 4.309 3.960 0.000 0.000 0.250 399 G HA3 0.349 4.309 3.960 0.000 0.000 0.250 399 G C -1.704 173.177 174.900 -0.030 0.000 1.304 399 G CA 0.117 45.090 45.100 -0.211 0.000 0.948 399 G HN 0.797 nan 8.290 nan 0.000 0.474 400 V N 1.310 121.244 119.914 0.034 0.000 2.823 400 V HA 0.881 5.001 4.120 0.000 0.000 0.312 400 V C -0.520 175.623 176.094 0.081 0.000 1.072 400 V CA -0.725 61.657 62.300 0.137 0.000 0.937 400 V CB 1.776 33.765 31.823 0.276 0.000 1.013 400 V HN 1.114 nan 8.190 nan 0.000 0.430 401 M N 6.716 126.385 119.600 0.116 0.000 2.591 401 M HA 0.677 5.157 4.480 0.000 0.000 0.306 401 M C -2.029 174.413 176.300 0.236 0.000 1.190 401 M CA -0.554 54.797 55.300 0.086 0.000 0.889 401 M CB 1.968 34.626 32.600 0.097 0.000 1.728 401 M HN 0.738 nan 8.290 nan 0.000 0.458 402 F N 1.747 121.741 119.950 0.073 0.000 2.619 402 F HA 0.712 5.239 4.527 0.000 0.000 0.308 402 F C -2.013 173.837 175.800 0.083 0.000 1.097 402 F CA -1.093 56.877 58.000 -0.049 0.000 0.953 402 F CB 1.155 39.771 39.000 -0.640 0.000 1.287 402 F HN 0.684 nan 8.300 nan 0.000 0.446 403 W N 5.502 126.847 121.300 0.074 0.000 2.361 403 W HA 0.550 5.211 4.660 0.000 0.000 0.314 403 W C -1.840 174.771 176.519 0.153 0.000 1.041 403 W CA -0.633 56.744 57.345 0.054 0.000 1.241 403 W CB 1.304 30.687 29.460 -0.129 0.000 1.279 403 W HN 1.017 nan 8.180 nan 0.000 0.436 404 H N 2.037 120.935 119.070 -0.287 0.000 2.977 404 H HA 0.381 4.937 4.556 0.000 0.000 0.350 404 H C 0.494 175.728 175.328 -0.158 0.000 1.238 404 H CA -0.967 54.795 56.048 -0.476 0.000 1.124 404 H CB 1.306 30.347 29.762 -1.201 0.000 1.866 404 H HN 0.271 nan 8.280 nan 0.000 0.550 405 L N 0.559 121.813 121.223 0.051 0.000 2.081 405 L HA -0.125 4.215 4.340 0.000 0.000 0.212 405 L C 2.458 178.981 176.870 -0.578 0.000 1.080 405 L CA 1.864 56.754 54.840 0.083 0.000 0.754 405 L CB -0.580 41.663 42.059 0.307 0.000 0.893 405 L HN 1.039 nan 8.230 nan 0.000 0.433 406 G N -1.402 106.831 108.800 -0.945 0.000 2.559 406 G HA2 -0.197 3.764 3.960 0.000 0.000 0.216 406 G HA3 -0.197 3.764 3.960 0.000 0.000 0.216 406 G C 1.391 175.890 174.900 -0.668 0.000 1.126 406 G CA 0.198 44.507 45.100 -1.319 0.000 0.778 406 G HN 0.456 nan 8.290 nan 0.000 0.543 407 Q N -0.415 119.058 119.800 -0.544 0.000 2.319 407 Q HA 0.106 4.446 4.340 0.000 0.000 0.209 407 Q C 0.244 176.236 176.000 -0.013 0.000 0.884 407 Q CA -0.497 55.162 55.803 -0.241 0.000 0.938 407 Q CB 0.523 29.129 28.738 -0.219 0.000 1.098 407 Q HN 0.271 nan 8.270 nan 0.000 0.517 408 D N 1.804 122.227 120.400 0.038 0.000 2.362 408 D HA -0.044 4.596 4.640 0.000 0.000 0.238 408 D C -0.012 176.320 176.300 0.053 0.000 1.212 408 D CA -0.006 54.004 54.000 0.017 0.000 0.902 408 D CB 0.616 41.452 40.800 0.060 0.000 1.180 408 D HN 0.113 nan 8.370 nan 0.000 0.445 409 N N 0.734 119.499 118.700 0.107 0.000 2.317 409 N HA -0.013 4.728 4.740 0.000 0.000 0.245 409 N C 0.703 176.266 175.510 0.088 0.000 1.294 409 N CA -0.277 52.823 53.050 0.083 0.000 0.924 409 N CB 0.323 38.868 38.487 0.096 0.000 1.186 409 N HN 0.251 nan 8.380 nan 0.000 0.495 410 R N -0.419 120.128 120.500 0.079 0.000 2.148 410 R HA 0.058 4.399 4.340 0.000 0.000 0.227 410 R C 0.605 176.967 176.300 0.104 0.000 1.103 410 R CA 1.194 57.359 56.100 0.110 0.000 0.983 410 R CB -0.544 29.802 30.300 0.076 0.000 0.874 410 R HN 0.603 nan 8.270 nan 0.000 0.451 411 N N -0.163 118.580 118.700 0.071 0.000 2.467 411 N HA 0.059 4.799 4.740 0.000 0.000 0.184 411 N C 0.286 175.831 175.510 0.059 0.000 1.106 411 N CA 1.106 54.190 53.050 0.056 0.000 0.892 411 N CB 0.474 38.980 38.487 0.032 0.000 0.969 411 N HN 0.421 nan 8.380 nan 0.000 0.454 412 G N 1.173 110.018 108.800 0.075 0.000 2.198 412 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 412 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 412 G C 0.413 175.305 174.900 -0.012 0.000 1.042 412 G CA 0.367 45.508 45.100 0.068 0.000 0.791 412 G HN 0.221 nan 8.290 nan 0.000 0.502 413 D N -0.192 120.178 120.400 -0.050 0.000 2.178 413 D HA -0.009 4.631 4.640 0.000 0.000 0.202 413 D C 2.729 178.899 176.300 -0.216 0.000 0.974 413 D CA 0.825 54.761 54.000 -0.106 0.000 0.841 413 D CB 0.006 40.768 40.800 -0.064 0.000 0.953 413 D HN 0.544 nan 8.370 nan 0.000 0.478 414 L N 0.087 121.096 121.223 -0.357 0.000 2.027 414 L HA -0.125 4.216 4.340 0.000 0.000 0.206 414 L C 2.383 179.107 176.870 -0.244 0.000 1.074 414 L CA 0.474 55.022 54.840 -0.487 0.000 0.745 414 L CB -0.380 40.991 42.059 -1.146 0.000 0.898 414 L HN 0.086 nan 8.230 nan 0.000 0.433 415 L N 0.541 121.673 121.223 -0.152 0.000 2.017 415 L HA -0.151 4.189 4.340 0.000 0.000 0.208 415 L C 2.633 179.465 176.870 -0.064 0.000 1.073 415 L CA 2.057 56.881 54.840 -0.026 0.000 0.745 415 L CB -0.745 41.379 42.059 0.109 0.000 0.894 415 L HN 0.140 nan 8.230 nan 0.000 0.432 416 A N -0.493 122.273 122.820 -0.091 0.000 1.933 416 A HA -0.104 4.216 4.320 0.000 0.000 0.218 416 A C 2.451 179.870 177.584 -0.274 0.000 1.175 416 A CA 1.838 53.801 52.037 -0.124 0.000 0.628 416 A CB -1.143 17.799 19.000 -0.097 0.000 0.814 416 A HN 0.614 nan 8.150 nan 0.000 0.444 417 A N -0.120 122.480 122.820 -0.367 0.000 1.877 417 A HA -0.034 4.286 4.320 0.000 0.000 0.216 417 A C 2.160 179.095 177.584 -1.081 0.000 1.186 417 A CA 1.475 53.059 52.037 -0.755 0.000 0.620 417 A CB -0.651 18.034 19.000 -0.526 0.000 0.822 417 A HN 0.470 nan 8.150 nan 0.000 0.443 418 L N -0.486 120.415 121.223 -0.536 0.000 2.012 418 L HA -0.242 4.098 4.340 0.000 0.000 0.210 418 L C 2.442 179.064 176.870 -0.413 0.000 1.073 418 L CA 1.954 56.512 54.840 -0.470 0.000 0.748 418 L CB -0.678 41.261 42.059 -0.200 0.000 0.891 418 L HN 0.516 nan 8.230 nan 0.000 0.431 419 D N -0.057 120.228 120.400 -0.192 0.000 2.117 419 D HA -0.242 4.398 4.640 0.000 0.000 0.197 419 D C 2.313 178.545 176.300 -0.113 0.000 0.987 419 D CA 1.206 55.186 54.000 -0.033 0.000 0.829 419 D CB 0.040 40.842 40.800 0.004 0.000 0.961 419 D HN 0.077 nan 8.370 nan 0.000 0.460 420 R N -1.193 119.119 120.500 -0.313 0.000 2.083 420 R HA -0.197 4.144 4.340 0.000 0.000 0.237 420 R C 1.949 178.090 176.300 -0.266 0.000 1.137 420 R CA 1.441 57.361 56.100 -0.301 0.000 0.951 420 R CB -0.421 29.606 30.300 -0.456 0.000 0.851 420 R HN 0.278 nan 8.270 nan 0.000 0.434 421 Y N -0.521 119.471 120.300 -0.513 0.000 2.352 421 Y HA -0.117 4.433 4.550 0.000 0.000 0.292 421 Y C 1.910 177.716 175.900 -0.157 0.000 1.136 421 Y CA 0.592 58.327 58.100 -0.607 0.000 1.227 421 Y CB -0.481 37.567 38.460 -0.688 0.000 0.991 421 Y HN 0.056 nan 8.280 nan 0.000 0.545 422 F N -0.533 119.495 119.950 0.130 0.000 2.387 422 F HA 0.016 4.543 4.527 0.000 0.000 0.294 422 F C 1.644 177.513 175.800 0.116 0.000 1.093 422 F CA 0.706 58.783 58.000 0.128 0.000 1.420 422 F CB -0.291 38.762 39.000 0.088 0.000 1.086 422 F HN 0.046 nan 8.300 nan 0.000 0.531 423 N N -0.828 118.026 118.700 0.256 0.000 2.168 423 N HA 0.237 4.977 4.740 0.000 0.000 0.216 423 N C 0.289 175.885 175.510 0.144 0.000 1.259 423 N CA 0.272 53.432 53.050 0.184 0.000 0.902 423 N CB 0.524 39.103 38.487 0.153 0.000 1.079 423 N HN -0.003 nan 8.380 nan 0.000 0.507 424 A N 0.707 123.614 122.820 0.143 0.000 2.366 424 A HA 0.626 4.946 4.320 0.000 0.000 0.272 424 A C 1.353 179.032 177.584 0.157 0.000 1.135 424 A CA 0.059 52.173 52.037 0.129 0.000 0.804 424 A CB 0.599 19.666 19.000 0.111 0.000 1.064 424 A HN 0.195 nan 8.150 nan 0.000 0.499 425 A N 2.022 124.909 122.820 0.111 0.000 1.972 425 A HA -0.109 4.212 4.320 0.000 0.000 0.219 425 A C 1.241 178.882 177.584 0.094 0.000 1.169 425 A CA 1.875 53.968 52.037 0.093 0.000 0.635 425 A CB -0.409 18.631 19.000 0.066 0.000 0.810 425 A HN 0.863 nan 8.150 nan 0.000 0.446 426 D N -2.837 117.629 120.400 0.110 0.000 2.358 426 D HA 0.122 4.762 4.640 0.000 0.000 0.224 426 D C -0.136 176.257 176.300 0.155 0.000 1.123 426 D CA -0.319 53.741 54.000 0.100 0.000 0.833 426 D CB -0.531 40.318 40.800 0.081 0.000 0.946 426 D HN 0.432 nan 8.370 nan 0.000 0.505 427 Y N 0.961 121.293 120.300 0.053 0.000 2.341 427 Y HA 0.454 5.004 4.550 0.001 0.000 0.338 427 Y C -1.538 174.390 175.900 0.047 0.000 0.965 427 Y CA -1.433 56.706 58.100 0.065 0.000 1.108 427 Y CB 1.666 40.200 38.460 0.123 0.000 1.180 427 Y HN -0.201 nan 8.280 nan 0.000 0.458 428 D N 4.845 124.860 120.400 -0.641 0.000 2.421 428 D HA 0.157 4.797 4.640 0.000 0.000 0.254 428 D C -0.707 175.202 176.300 -0.652 0.000 1.238 428 D CA -0.522 53.199 54.000 -0.464 0.000 0.919 428 D CB 0.831 41.499 40.800 -0.220 0.000 1.152 428 D HN 0.727 nan 8.370 nan 0.000 0.552 429 D N 1.243 121.309 120.400 -0.556 0.000 2.388 429 D HA -0.034 4.606 4.640 0.000 0.000 0.221 429 D C 1.255 177.461 176.300 -0.157 0.000 1.133 429 D CA -0.024 53.751 54.000 -0.374 0.000 0.831 429 D CB -0.006 40.666 40.800 -0.213 0.000 0.962 429 D HN 0.179 nan 8.370 nan 0.000 0.502 430 S N 0.180 115.804 115.700 -0.126 0.000 2.400 430 S HA -0.234 4.236 4.470 0.000 0.000 0.232 430 S C 1.480 176.055 174.600 -0.042 0.000 1.025 430 S CA 0.814 58.980 58.200 -0.056 0.000 0.993 430 S CB -0.348 62.825 63.200 -0.045 0.000 0.808 430 S HN 0.188 nan 8.310 nan 0.000 0.478 431 Q N 0.459 120.221 119.800 -0.064 0.000 2.220 431 Q HA 0.408 4.748 4.340 0.000 0.000 0.205 431 Q C -0.274 175.711 176.000 -0.025 0.000 0.865 431 Q CA -0.240 55.542 55.803 -0.035 0.000 0.960 431 Q CB -0.018 28.697 28.738 -0.038 0.000 1.097 431 Q HN 0.515 nan 8.270 nan 0.000 0.493 432 L N 2.509 123.706 121.223 -0.043 0.000 2.418 432 L HA 0.113 4.454 4.340 0.000 0.000 0.274 432 L C -0.063 176.859 176.870 0.087 0.000 1.135 432 L CA 0.321 55.144 54.840 -0.028 0.000 0.870 432 L CB 0.466 42.444 42.059 -0.135 0.000 1.154 432 L HN -0.063 nan 8.230 nan 0.000 0.462 433 D N 5.473 125.967 120.400 0.157 0.000 2.316 433 D HA 0.062 4.702 4.640 0.000 0.000 0.245 433 D C 0.697 177.194 176.300 0.329 0.000 1.171 433 D CA -0.354 53.762 54.000 0.194 0.000 0.856 433 D CB 1.118 42.006 40.800 0.146 0.000 1.090 433 D HN 0.576 nan 8.370 nan 0.000 0.476 434 M N 2.457 122.226 119.600 0.283 0.000 2.618 434 M HA 0.144 4.624 4.480 0.000 0.000 0.240 434 M C 1.212 177.638 176.300 0.210 0.000 1.123 434 M CA 0.223 55.749 55.300 0.377 0.000 1.060 434 M CB -1.025 31.801 32.600 0.376 0.000 1.535 434 M HN 0.652 nan 8.290 nan 0.000 0.507 435 G N 0.882 109.752 108.800 0.116 0.000 2.760 435 G HA2 -0.219 3.741 3.960 0.000 0.000 0.246 435 G HA3 -0.219 3.741 3.960 0.000 0.000 0.246 435 G C 0.219 175.084 174.900 -0.058 0.000 1.359 435 G CA 0.029 45.155 45.100 0.043 0.000 0.861 435 G HN 0.387 nan 8.290 nan 0.000 0.541 436 T N -1.434 113.089 114.554 -0.052 0.000 3.174 436 T HA 0.592 4.942 4.350 0.000 0.000 0.269 436 T C 1.336 175.980 174.700 -0.095 0.000 1.017 436 T CA 1.071 63.122 62.100 -0.082 0.000 0.899 436 T CB 0.431 69.277 68.868 -0.036 0.000 1.077 436 T HN 1.961 nan 8.240 nan 0.000 0.552 437 G N 1.625 110.366 108.800 -0.099 0.000 2.690 437 G HA2 0.436 4.396 3.960 0.000 0.000 0.239 437 G HA3 0.436 4.396 3.960 0.000 0.000 0.239 437 G C -0.051 174.807 174.900 -0.069 0.000 1.233 437 G CA -0.750 44.334 45.100 -0.028 0.000 0.847 437 G HN 0.585 nan 8.290 nan 0.000 0.588 438 L N 0.838 122.078 121.223 0.029 0.000 2.462 438 L HA 0.237 4.577 4.340 0.000 0.000 0.272 438 L C 0.774 177.721 176.870 0.128 0.000 1.166 438 L CA -0.432 54.435 54.840 0.046 0.000 0.880 438 L CB 0.399 42.500 42.059 0.070 0.000 1.142 438 L HN 0.376 nan 8.230 nan 0.000 0.473 439 R N 1.972 122.518 120.500 0.077 0.000 2.457 439 R HA 0.248 4.588 4.340 0.000 0.000 0.284 439 R C -0.790 175.648 176.300 0.231 0.000 1.024 439 R CA -0.496 55.719 56.100 0.193 0.000 1.025 439 R CB 0.531 30.887 30.300 0.094 0.000 1.063 439 R HN 0.306 nan 8.270 nan 0.000 0.493 440 Y N 1.164 121.584 120.300 0.201 0.000 2.436 440 Y HA 0.102 4.652 4.550 0.000 0.000 0.336 440 Y C 0.635 176.600 175.900 0.108 0.000 1.049 440 Y CA 0.539 58.734 58.100 0.158 0.000 1.294 440 Y CB 0.829 39.398 38.460 0.182 0.000 1.179 440 Y HN 0.696 nan 8.280 nan 0.000 0.520 441 T N 1.876 116.275 114.554 -0.259 0.000 3.339 441 T HA 0.341 4.691 4.350 0.000 0.000 0.292 441 T C 0.590 175.164 174.700 -0.210 0.000 1.012 441 T CA -0.149 61.879 62.100 -0.119 0.000 0.937 441 T CB -0.499 68.321 68.868 -0.079 0.000 1.164 441 T HN 0.815 nan 8.240 nan 0.000 0.509 442 G N 0.934 109.498 108.800 -0.394 0.000 2.484 442 G HA2 0.461 4.421 3.960 0.000 0.000 0.235 442 G HA3 0.461 4.421 3.960 0.000 0.000 0.235 442 G C -0.624 174.228 174.900 -0.080 0.000 1.282 442 G CA -0.165 44.789 45.100 -0.244 0.000 0.857 442 G HN 0.472 nan 8.290 nan 0.000 0.571 443 V N 1.632 121.460 119.914 -0.144 0.000 2.531 443 V HA 0.691 4.811 4.120 0.000 0.000 0.301 443 V C 0.759 176.714 176.094 -0.232 0.000 1.034 443 V CA -0.299 61.920 62.300 -0.135 0.000 0.865 443 V CB 1.626 33.372 31.823 -0.128 0.000 0.995 443 V HN 1.050 nan 8.190 nan 0.000 0.424 444 G N 4.221 112.889 108.800 -0.219 0.000 2.410 444 G HA2 0.580 4.541 3.960 0.000 0.000 0.330 444 G HA3 0.580 4.541 3.960 0.000 0.000 0.330 444 G C -1.810 172.815 174.900 -0.458 0.000 1.142 444 G CA -1.542 43.327 45.100 -0.385 0.000 0.902 444 G HN 0.541 nan 8.290 nan 0.000 0.491 445 P HA -0.048 nan 4.420 nan 0.000 0.223 445 P C 1.487 178.603 177.300 -0.307 0.000 1.144 445 P CA 1.231 63.995 63.100 -0.560 0.000 0.783 445 P CB 0.297 31.536 31.700 -0.768 0.000 0.771 446 G N -0.381 108.289 108.800 -0.216 0.000 3.314 446 G HA2 0.015 3.975 3.960 0.000 0.000 0.238 446 G HA3 0.015 3.975 3.960 0.000 0.000 0.238 446 G C 0.153 175.031 174.900 -0.037 0.000 1.184 446 G CA -0.260 44.804 45.100 -0.059 0.000 0.806 446 G HN 0.466 nan 8.290 nan 0.000 0.536 447 N N -0.827 117.829 118.700 -0.073 0.000 2.604 447 N HA 0.222 4.962 4.740 0.000 0.000 0.284 447 N C -0.351 175.126 175.510 -0.054 0.000 1.716 447 N CA -0.566 52.463 53.050 -0.034 0.000 0.859 447 N CB 0.103 38.591 38.487 0.001 0.000 1.403 447 N HN -0.010 nan 8.380 nan 0.000 0.501 448 L N 0.625 121.807 121.223 -0.068 0.000 2.439 448 L HA 0.486 4.826 4.340 0.000 0.000 0.269 448 L C -1.717 175.119 176.870 -0.057 0.000 1.179 448 L CA -1.772 53.022 54.840 -0.077 0.000 0.828 448 L CB 0.236 42.249 42.059 -0.077 0.000 1.106 448 L HN 0.145 nan 8.230 nan 0.000 0.467 449 P HA 0.131 nan 4.420 nan 0.000 0.274 449 P C -0.529 176.740 177.300 -0.052 0.000 1.237 449 P CA -0.531 62.541 63.100 -0.045 0.000 0.793 449 P CB 0.743 32.419 31.700 -0.040 0.000 0.977 450 I N 2.252 122.793 120.570 -0.048 0.000 2.683 450 I HA 0.069 4.239 4.170 0.000 0.000 0.286 450 I C 0.993 177.085 176.117 -0.041 0.000 1.175 450 I CA 0.996 62.265 61.300 -0.052 0.000 1.429 450 I CB -0.932 37.041 38.000 -0.045 0.000 1.371 450 I HN 0.368 nan 8.210 nan 0.000 0.569 451 M N 4.850 124.424 119.600 -0.043 0.000 2.631 451 M HA 0.417 4.897 4.480 0.000 0.000 0.288 451 M C -0.535 175.755 176.300 -0.017 0.000 1.260 451 M CA -0.612 54.673 55.300 -0.025 0.000 0.842 451 M CB 2.755 35.341 32.600 -0.024 0.000 1.743 451 M HN 0.390 nan 8.290 nan 0.000 0.461 452 T N 1.328 115.881 114.554 -0.000 0.000 2.841 452 T HA 0.844 5.194 4.350 0.000 0.000 0.285 452 T C -1.273 173.445 174.700 0.029 0.000 0.991 452 T CA -0.663 61.444 62.100 0.010 0.000 0.966 452 T CB 1.605 70.477 68.868 0.007 0.000 0.962 452 T HN 0.743 nan 8.240 nan 0.000 0.438 453 A N 4.166 127.012 122.820 0.044 0.000 2.594 453 A HA 0.874 5.195 4.320 0.000 0.000 0.295 453 A C -3.095 174.535 177.584 0.076 0.000 1.071 453 A CA -1.731 50.346 52.037 0.067 0.000 0.685 453 A CB 0.853 19.906 19.000 0.087 0.000 1.285 453 A HN 0.550 nan 8.150 nan 0.000 0.405 454 P HA 0.390 nan 4.420 nan 0.000 0.268 454 P C 0.107 177.474 177.300 0.111 0.000 1.205 454 P CA 0.250 63.404 63.100 0.090 0.000 0.771 454 P CB 0.618 32.377 31.700 0.099 0.000 0.858 455 A N 3.243 126.124 122.820 0.102 0.000 2.531 455 A HA 0.030 4.350 4.320 0.000 0.000 0.236 455 A C -0.153 177.514 177.584 0.138 0.000 1.062 455 A CA -0.060 52.055 52.037 0.130 0.000 0.760 455 A CB -0.672 18.395 19.000 0.111 0.000 0.995 455 A HN 0.578 nan 8.150 nan 0.000 0.501 456 Y N 2.394 122.695 120.300 0.002 0.000 2.712 456 Y HA 0.284 4.835 4.550 0.000 0.000 0.333 456 Y C -0.106 175.801 175.900 0.013 0.000 1.225 456 Y CA 0.535 58.568 58.100 -0.112 0.000 1.499 456 Y CB 0.424 38.589 38.460 -0.490 0.000 1.288 456 Y HN 0.370 nan 8.280 nan 0.000 0.575 457 V N 9.525 129.069 119.914 -0.616 0.000 2.304 457 V HA 0.285 4.405 4.120 0.000 0.000 0.278 457 V C -2.156 173.500 176.094 -0.729 0.000 1.018 457 V CA -2.068 59.940 62.300 -0.487 0.000 0.814 457 V CB 0.910 32.603 31.823 -0.216 0.000 1.021 457 V HN 0.732 nan 8.190 nan 0.000 0.440 458 P HA 0.211 nan 4.420 nan 0.000 0.266 458 P C 1.095 178.302 177.300 -0.155 0.000 1.193 458 P CA 1.337 64.267 63.100 -0.283 0.000 0.770 458 P CB 0.680 32.350 31.700 -0.050 0.000 0.836 459 G N 0.974 109.742 108.800 -0.054 0.000 2.199 459 G HA2 -0.211 3.749 3.960 0.000 0.000 0.254 459 G HA3 -0.211 3.749 3.960 0.000 0.000 0.254 459 G C 0.272 175.134 174.900 -0.062 0.000 0.982 459 G CA 0.136 45.216 45.100 -0.034 0.000 0.632 459 G HN 0.625 nan 8.290 nan 0.000 0.529 460 T N 1.982 116.463 114.554 -0.121 0.000 2.856 460 T HA 0.541 4.891 4.350 0.000 0.000 0.292 460 T C 0.278 174.889 174.700 -0.149 0.000 0.980 460 T CA 0.602 62.561 62.100 -0.234 0.000 1.091 460 T CB 1.495 70.075 68.868 -0.479 0.000 0.936 460 T HN 0.195 nan 8.240 nan 0.000 0.503 461 T N 3.792 118.227 114.554 -0.198 0.000 2.749 461 T HA 0.446 4.796 4.350 0.000 0.000 0.287 461 T C -0.858 173.715 174.700 -0.212 0.000 0.970 461 T CA -0.315 61.746 62.100 -0.066 0.000 0.980 461 T CB 0.101 68.981 68.868 0.019 0.000 0.924 461 T HN 0.400 nan 8.240 nan 0.000 0.456 462 Y N 1.206 121.509 120.300 0.005 0.000 2.409 462 Y HA 0.623 5.173 4.550 0.000 0.000 0.339 462 Y C 0.580 176.374 175.900 -0.176 0.000 1.033 462 Y CA -1.160 56.911 58.100 -0.049 0.000 1.094 462 Y CB 1.264 39.730 38.460 0.010 0.000 1.210 462 Y HN 0.763 nan 8.280 nan 0.000 0.456 463 A N 2.160 124.970 122.820 -0.016 0.000 2.272 463 A HA 0.288 4.609 4.320 0.000 0.000 0.275 463 A C -0.228 177.283 177.584 -0.122 0.000 1.096 463 A CA -0.736 51.220 52.037 -0.135 0.000 0.822 463 A CB 0.433 19.359 19.000 -0.124 0.000 1.088 463 A HN 0.799 nan 8.150 nan 0.000 0.495 464 Q N -0.500 119.223 119.800 -0.127 0.000 2.361 464 Q HA 0.356 4.696 4.340 0.000 0.000 0.276 464 Q C 1.094 177.048 176.000 -0.077 0.000 1.022 464 Q CA 1.180 56.917 55.803 -0.111 0.000 0.898 464 Q CB 0.178 28.892 28.738 -0.041 0.000 1.246 464 Q HN 1.824 nan 8.270 nan 0.000 0.410 465 G N 2.031 110.775 108.800 -0.093 0.000 2.162 465 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 465 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 465 G C 0.208 175.106 174.900 -0.003 0.000 0.976 465 G CA 0.137 45.214 45.100 -0.039 0.000 0.655 465 G HN 1.012 nan 8.290 nan 0.000 0.533 466 A N -0.399 122.418 122.820 -0.004 0.000 2.483 466 A HA 0.627 4.948 4.320 0.000 0.000 0.238 466 A C 0.363 178.028 177.584 0.136 0.000 1.070 466 A CA 0.500 52.592 52.037 0.091 0.000 0.770 466 A CB 0.327 19.444 19.000 0.195 0.000 1.008 466 A HN 0.997 nan 8.150 nan 0.000 0.497 467 L N 2.524 123.850 121.223 0.170 0.000 2.356 467 L HA 0.647 4.987 4.340 0.000 0.000 0.277 467 L C -0.316 176.661 176.870 0.178 0.000 0.996 467 L CA -0.733 54.218 54.840 0.185 0.000 0.822 467 L CB 1.920 44.052 42.059 0.122 0.000 1.256 467 L HN 0.699 nan 8.230 nan 0.000 0.413 468 V N -0.291 119.729 119.914 0.176 0.000 3.078 468 V HA 0.804 4.925 4.120 0.000 0.000 0.311 468 V C -0.277 175.915 176.094 0.163 0.000 1.138 468 V CA -0.720 61.644 62.300 0.106 0.000 1.007 468 V CB 2.012 33.795 31.823 -0.067 0.000 1.045 468 V HN 0.730 nan 8.190 nan 0.000 0.432 469 S N 1.974 117.773 115.700 0.165 0.000 2.525 469 S HA 0.850 5.321 4.470 0.000 0.000 0.290 469 S C -1.079 173.706 174.600 0.309 0.000 1.152 469 S CA -0.522 57.807 58.200 0.215 0.000 1.072 469 S CB 1.258 64.533 63.200 0.125 0.000 1.027 469 S HN 1.606 nan 8.310 nan 0.000 0.500 470 Y N 1.152 121.573 120.300 0.203 0.000 2.376 470 Y HA 0.250 4.801 4.550 0.000 0.000 0.321 470 Y C -0.382 175.676 175.900 0.262 0.000 1.189 470 Y CA -0.621 57.552 58.100 0.122 0.000 1.069 470 Y CB 1.099 39.441 38.460 -0.196 0.000 1.292 470 Y HN 0.970 nan 8.280 nan 0.000 0.430 471 Q N 4.163 123.806 119.800 -0.261 0.000 2.457 471 Q HA -0.249 4.091 4.340 0.000 0.000 0.283 471 Q C 1.003 177.007 176.000 0.007 0.000 1.234 471 Q CA 1.498 57.167 55.803 -0.222 0.000 0.877 471 Q CB -1.513 26.981 28.738 -0.406 0.000 1.250 471 Q HN 1.575 nan 8.270 nan 0.000 0.481 472 G N -2.145 106.616 108.800 -0.065 0.000 2.195 472 G HA2 -0.322 3.638 3.960 0.000 0.000 0.246 472 G HA3 -0.322 3.638 3.960 0.000 0.000 0.246 472 G C -0.318 174.277 174.900 -0.509 0.000 0.984 472 G CA 0.332 45.263 45.100 -0.281 0.000 0.633 472 G HN 0.358 nan 8.290 nan 0.000 0.525 473 Y N -1.110 119.148 120.300 -0.070 0.000 2.602 473 Y HA 0.662 5.213 4.550 0.001 0.000 0.342 473 Y C 0.345 176.100 175.900 -0.240 0.000 1.029 473 Y CA -1.155 56.761 58.100 -0.307 0.000 1.080 473 Y CB 2.088 40.083 38.460 -0.775 0.000 1.284 473 Y HN 0.088 nan 8.280 nan 0.000 0.485 474 V N 1.247 121.079 119.914 -0.136 0.000 2.472 474 V HA 0.303 4.423 4.120 0.000 0.000 0.290 474 V C -1.231 174.767 176.094 -0.161 0.000 1.037 474 V CA -0.813 61.462 62.300 -0.042 0.000 0.908 474 V CB 0.669 32.486 31.823 -0.009 0.000 0.985 474 V HN 0.656 nan 8.190 nan 0.000 0.454 475 W N 2.596 123.916 121.300 0.033 0.000 2.915 475 W HA 0.694 5.354 4.660 0.000 0.000 0.337 475 W C -0.222 176.426 176.519 0.215 0.000 1.102 475 W CA -0.527 56.865 57.345 0.079 0.000 1.224 475 W CB 1.578 31.008 29.460 -0.050 0.000 1.416 475 W HN 0.420 nan 8.180 nan 0.000 0.503 476 Q N 1.318 121.384 119.800 0.442 0.000 2.365 476 Q HA 0.533 4.873 4.340 0.000 0.000 0.269 476 Q C -0.114 175.920 176.000 0.057 0.000 1.061 476 Q CA -0.598 55.351 55.803 0.243 0.000 0.816 476 Q CB 1.935 30.733 28.738 0.101 0.000 1.325 476 Q HN 0.530 nan 8.270 nan 0.000 0.446 477 T N 0.314 114.706 114.554 -0.272 0.000 2.897 477 T HA 0.311 4.661 4.350 0.000 0.000 0.294 477 T C 0.449 174.904 174.700 -0.409 0.000 1.004 477 T CA -0.517 61.169 62.100 -0.689 0.000 1.106 477 T CB 1.167 69.490 68.868 -0.908 0.000 0.949 477 T HN 0.683 nan 8.240 nan 0.000 0.520 478 K N 1.216 121.298 120.400 -0.530 0.000 2.367 478 K HA 0.236 4.557 4.320 0.000 0.000 0.194 478 K C -0.299 176.333 176.600 0.053 0.000 1.027 478 K CA -0.118 56.057 56.287 -0.186 0.000 1.075 478 K CB 0.276 32.728 32.500 -0.079 0.000 0.845 478 K HN 0.849 nan 8.250 nan 0.000 0.529 479 W N -1.777 119.434 121.300 -0.149 0.000 2.826 479 W HA 0.577 5.238 4.660 0.001 0.000 0.410 479 W C -0.536 175.896 176.519 -0.144 0.000 1.128 479 W CA -1.379 55.898 57.345 -0.114 0.000 1.176 479 W CB -0.098 29.316 29.460 -0.076 0.000 1.475 479 W HN -0.181 nan 8.180 nan 0.000 0.588 480 G N -1.229 107.680 108.800 0.181 0.000 2.552 480 G HA2 0.509 4.469 3.960 0.000 0.000 0.318 480 G HA3 0.509 4.469 3.960 0.000 0.000 0.318 480 G C -1.215 173.754 174.900 0.114 0.000 1.240 480 G CA -0.880 44.193 45.100 -0.046 0.000 1.002 480 G HN 1.074 nan 8.290 nan 0.000 0.493 481 Y N -2.181 118.152 120.300 0.056 0.000 3.389 481 Y HA -0.162 4.388 4.550 0.001 0.000 0.213 481 Y C 0.415 176.351 175.900 0.059 0.000 1.272 481 Y CA -0.357 57.778 58.100 0.059 0.000 1.444 481 Y CB -1.612 36.890 38.460 0.071 0.000 1.445 481 Y HN 0.167 nan 8.280 nan 0.000 0.583 482 I N 1.166 121.778 120.570 0.070 0.000 2.379 482 I HA 0.085 4.255 4.170 0.000 0.000 0.290 482 I C 1.381 177.614 176.117 0.193 0.000 1.063 482 I CA 0.544 61.854 61.300 0.017 0.000 1.351 482 I CB 0.938 38.735 38.000 -0.338 0.000 1.410 482 I HN 0.389 nan 8.210 nan 0.000 0.505 483 T N 0.364 115.033 114.554 0.192 0.000 3.040 483 T HA 0.179 4.530 4.350 0.000 0.000 0.266 483 T C 0.632 175.474 174.700 0.236 0.000 1.005 483 T CA -0.362 61.869 62.100 0.219 0.000 0.906 483 T CB -0.001 68.958 68.868 0.152 0.000 1.082 483 T HN 0.506 nan 8.240 nan 0.000 0.531 484 S N 1.132 116.972 115.700 0.234 0.000 2.687 484 S HA 0.840 5.310 4.470 0.000 0.000 0.283 484 S C 0.191 174.880 174.600 0.149 0.000 1.170 484 S CA -0.905 57.399 58.200 0.174 0.000 1.008 484 S CB 1.333 64.604 63.200 0.119 0.000 1.026 484 S HN 0.576 nan 8.310 nan 0.000 0.541 485 A N 1.427 124.129 122.820 -0.196 0.000 2.322 485 A HA 0.687 5.007 4.320 0.000 0.000 0.269 485 A C -2.653 174.222 177.584 -1.181 0.000 1.094 485 A CA -1.909 49.545 52.037 -0.970 0.000 0.807 485 A CB -0.738 17.790 19.000 -0.788 0.000 1.047 485 A HN 0.629 nan 8.150 nan 0.000 0.487 486 P HA 0.297 nan 4.420 nan 0.000 0.268 486 P C 0.605 177.109 177.300 -1.326 0.000 1.205 486 P CA 0.713 62.497 63.100 -2.193 0.000 0.771 486 P CB 0.805 30.689 31.700 -3.026 0.000 0.858 487 G N 0.060 108.229 108.800 -1.051 0.000 4.802 487 G HA2 0.222 4.182 3.960 0.000 0.000 0.238 487 G HA3 0.222 4.182 3.960 0.000 0.000 0.238 487 G C 1.184 176.010 174.900 -0.123 0.000 0.974 487 G CA 0.642 45.235 45.100 -0.845 0.000 0.798 487 G HN 0.514 nan 8.290 nan 0.000 0.301 488 S N 0.427 116.091 115.700 -0.060 0.000 2.402 488 S HA 0.114 4.584 4.470 0.000 0.000 0.229 488 S C 1.021 175.660 174.600 0.065 0.000 1.021 488 S CA 1.054 59.286 58.200 0.054 0.000 0.974 488 S CB -0.171 63.060 63.200 0.051 0.000 0.800 488 S HN 0.455 nan 8.310 nan 0.000 0.484 489 D N 1.170 121.585 120.400 0.026 0.000 2.629 489 D HA 0.090 4.731 4.640 0.000 0.000 0.228 489 D C 1.460 177.817 176.300 0.096 0.000 1.127 489 D CA 0.779 54.818 54.000 0.064 0.000 0.855 489 D CB 0.709 41.550 40.800 0.068 0.000 1.180 489 D HN 0.287 nan 8.370 nan 0.000 0.484 490 S N 2.638 118.419 115.700 0.135 0.000 2.442 490 S HA -0.191 4.279 4.470 0.000 0.000 0.236 490 S C 1.860 176.463 174.600 0.005 0.000 1.007 490 S CA 0.634 58.950 58.200 0.194 0.000 0.965 490 S CB -0.231 63.185 63.200 0.360 0.000 0.773 490 S HN 0.558 nan 8.310 nan 0.000 0.504 491 A N -0.120 122.522 122.820 -0.296 0.000 2.123 491 A HA 0.303 4.624 4.320 0.000 0.000 0.214 491 A C 0.306 177.376 177.584 -0.857 0.000 1.152 491 A CA -0.223 51.125 52.037 -1.148 0.000 0.728 491 A CB -0.361 17.865 19.000 -1.290 0.000 0.814 491 A HN 0.648 nan 8.150 nan 0.000 0.464 492 W N -0.982 120.124 121.300 -0.324 0.000 2.520 492 W HA 0.579 5.240 4.660 0.000 0.000 0.323 492 W C -0.593 175.974 176.519 0.079 0.000 1.062 492 W CA -0.827 56.421 57.345 -0.160 0.000 1.215 492 W CB 1.356 30.651 29.460 -0.275 0.000 1.340 492 W HN 0.052 nan 8.180 nan 0.000 0.516 493 L N 4.479 125.926 121.223 0.372 0.000 2.305 493 L HA 0.403 4.743 4.340 0.000 0.000 0.284 493 L C 0.073 177.047 176.870 0.172 0.000 1.013 493 L CA -1.107 53.868 54.840 0.226 0.000 0.819 493 L CB 0.943 43.056 42.059 0.090 0.000 1.227 493 L HN 0.326 nan 8.230 nan 0.000 0.417 494 K N 3.938 124.264 120.400 -0.124 0.000 2.402 494 K HA 0.206 4.526 4.320 0.000 0.000 0.285 494 K C 0.543 176.936 176.600 -0.345 0.000 1.054 494 K CA 0.370 56.279 56.287 -0.629 0.000 1.001 494 K CB 0.576 32.467 32.500 -1.014 0.000 0.946 494 K HN 0.687 nan 8.250 nan 0.000 0.473 495 V N 0.891 120.654 119.914 -0.251 0.000 3.612 495 V HA 0.437 4.557 4.120 0.000 0.000 0.268 495 V C 0.538 176.555 176.094 -0.130 0.000 1.365 495 V CA 0.463 62.675 62.300 -0.147 0.000 1.044 495 V CB 0.417 32.202 31.823 -0.064 0.000 0.820 495 V HN 0.727 nan 8.190 nan 0.000 0.444 496 G N -0.092 108.627 108.800 -0.135 0.000 2.608 496 G HA2 0.649 4.610 3.960 0.000 0.000 0.291 496 G HA3 0.649 4.610 3.960 0.000 0.000 0.291 496 G C -1.656 173.203 174.900 -0.068 0.000 1.425 496 G CA -1.181 43.868 45.100 -0.085 0.000 0.787 496 G HN 0.179 nan 8.290 nan 0.000 0.484 497 R N -0.455 119.985 120.500 -0.100 0.000 2.514 497 R HA 0.587 4.927 4.340 0.000 0.000 0.301 497 R C -0.537 175.658 176.300 -0.174 0.000 0.962 497 R CA -0.706 55.269 56.100 -0.209 0.000 0.882 497 R CB 2.453 32.625 30.300 -0.213 0.000 1.143 497 R HN 0.295 nan 8.270 nan 0.000 0.452 498 V N 3.090 122.872 119.914 -0.220 0.000 2.555 498 V HA 0.184 4.305 4.120 0.000 0.000 0.286 498 V C 0.872 176.891 176.094 -0.126 0.000 1.044 498 V CA -0.160 62.058 62.300 -0.137 0.000 1.026 498 V CB 1.162 32.911 31.823 -0.123 0.000 0.981 498 V HN 0.954 nan 8.190 nan 0.000 0.480 499 A N 0.000 122.771 122.820 -0.082 0.000 2.254 499 A HA 0.000 4.320 4.320 0.000 0.000 0.244 499 A CA 0.000 51.995 52.037 -0.070 0.000 0.836 499 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486