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 2d3q_1_A DATA FIRST_RESID 4 DATA SEQUENCE TILPLNNIQG DILVGMKKQK ERFVFFQVND ATSFKTALKT YVPERITSAA DATA SEQUENCE ILISDPSQQP LAFVNLGFSN TGLQALGITD DLGDAQFPDG QFADAANLGD DATA SEQUENCE DLSQWVAPFT GTTIHGVFLI GSDQDDFLDQ FTDDISSTFG SSITQVQALS DATA SEQUENCE GSARPGDQAG HEHFGFLDGI SQPSVTGWET TVFPGQAVVP PGIILTGRDG DATA SEQUENCE DTGTRPSWAL DGSFMAFRHF QQKVPEFNAY TLANAIPANS AGNLTQQEGA DATA SEQUENCE EFLGARMFGR WKSGAPIDLA PTADDPALGA DPQRNNNFDY SDTLTDETRC DATA SEQUENCE PFGAHVRKTN PRQDLGGPVD TFHAMRSSIP YGPETSDAEL ASGVTAQDRG DATA SEQUENCE LLFVEYQSII GNGFRFQQIN WANNANFPFS KPITPGIEPI IGQTTPRTVG DATA SEQUENCE GLDPLNQNET FTVPLFVIPK GGEYFFLPSI SALTATIAA 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.713 174.700 0.022 0.000 1.109 4 T CA 0.000 62.112 62.100 0.019 0.000 1.349 4 T CB 0.000 68.877 68.868 0.016 0.000 0.612 5 I N 2.958 123.548 120.570 0.034 0.000 2.751 5 I HA -0.197 3.971 4.170 -0.002 0.000 0.126 5 I C 0.502 176.630 176.117 0.018 0.000 0.884 5 I CA 0.792 62.115 61.300 0.039 0.000 2.786 5 I CB -1.310 36.707 38.000 0.027 0.000 0.572 5 I HN 0.503 nan 8.210 nan 0.000 0.352 6 L N 8.994 130.226 121.223 0.014 0.000 2.397 6 L HA 0.258 4.597 4.340 -0.002 0.000 0.271 6 L C -1.345 175.493 176.870 -0.053 0.000 1.148 6 L CA -1.407 53.406 54.840 -0.045 0.000 0.825 6 L CB 0.429 42.416 42.059 -0.120 0.000 1.117 6 L HN 0.435 nan 8.230 nan 0.000 0.456 7 P HA 0.106 nan 4.420 nan 0.000 0.244 7 P C 0.811 178.056 177.300 -0.092 0.000 1.769 7 P CA -0.172 62.892 63.100 -0.059 0.000 1.102 7 P CB 0.193 31.865 31.700 -0.047 0.000 1.937 8 L N 0.583 121.746 121.223 -0.100 0.000 2.351 8 L HA -0.195 4.144 4.340 -0.002 0.000 0.220 8 L C 1.969 178.771 176.870 -0.113 0.000 1.127 8 L CA 1.057 55.815 54.840 -0.137 0.000 0.786 8 L CB -0.838 41.163 42.059 -0.097 0.000 0.914 8 L HN 0.263 nan 8.230 nan 0.000 0.443 9 N N -0.054 118.601 118.700 -0.076 0.000 2.446 9 N HA -0.111 4.628 4.740 -0.002 0.000 0.179 9 N C 1.395 176.866 175.510 -0.066 0.000 1.054 9 N CA 0.765 53.777 53.050 -0.062 0.000 0.905 9 N CB -0.011 38.452 38.487 -0.040 0.000 0.973 9 N HN 0.350 nan 8.380 nan 0.000 0.448 10 N N 0.192 118.849 118.700 -0.073 0.000 2.254 10 N HA 0.209 4.948 4.740 -0.002 0.000 0.190 10 N C -0.435 175.020 175.510 -0.092 0.000 1.107 10 N CA -0.005 53.007 53.050 -0.064 0.000 0.869 10 N CB 0.640 39.101 38.487 -0.043 0.000 0.983 10 N HN 0.036 nan 8.380 nan 0.000 0.487 11 I N 1.565 122.054 120.570 -0.136 0.000 2.331 11 I HA 0.156 4.324 4.170 -0.002 0.000 0.292 11 I C 0.040 176.036 176.117 -0.201 0.000 0.998 11 I CA -0.694 60.496 61.300 -0.184 0.000 1.267 11 I CB 1.418 39.274 38.000 -0.241 0.000 1.386 11 I HN 0.014 nan 8.210 nan 0.000 0.476 12 Q N 4.609 124.286 119.800 -0.204 0.000 2.242 12 Q HA -0.009 4.330 4.340 -0.002 0.000 0.284 12 Q C 1.441 177.283 176.000 -0.263 0.000 1.130 12 Q CA 0.291 55.972 55.803 -0.203 0.000 0.940 12 Q CB 0.778 29.399 28.738 -0.196 0.000 1.146 12 Q HN 0.977 nan 8.270 nan 0.000 0.388 13 G N 3.577 112.230 108.800 -0.245 0.000 2.606 13 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.221 13 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.221 13 G C 0.954 175.678 174.900 -0.294 0.000 1.152 13 G CA 1.384 46.313 45.100 -0.285 0.000 0.765 13 G HN 0.724 nan 8.290 nan 0.000 0.595 14 D N 0.029 120.269 120.400 -0.266 0.000 2.265 14 D HA -0.041 4.598 4.640 -0.002 0.000 0.208 14 D C 2.487 178.541 176.300 -0.410 0.000 0.977 14 D CA 0.468 54.338 54.000 -0.216 0.000 0.871 14 D CB -0.172 40.586 40.800 -0.070 0.000 0.925 14 D HN 0.461 nan 8.370 nan 0.000 0.485 15 I N -0.511 119.654 120.570 -0.674 0.000 2.252 15 I HA -0.180 3.989 4.170 -0.002 0.000 0.245 15 I C 1.968 177.805 176.117 -0.467 0.000 1.102 15 I CA 0.650 61.367 61.300 -0.971 0.000 1.385 15 I CB 0.012 37.564 38.000 -0.746 0.000 1.064 15 I HN 0.123 nan 8.210 nan 0.000 0.414 16 L N -1.000 119.999 121.223 -0.372 0.000 2.537 16 L HA 0.163 4.502 4.340 -0.002 0.000 0.224 16 L C 1.612 178.365 176.870 -0.195 0.000 1.065 16 L CA 0.995 55.642 54.840 -0.321 0.000 0.860 16 L CB 0.715 42.452 42.059 -0.538 0.000 1.086 16 L HN -0.101 nan 8.230 nan 0.000 0.482 17 V N -0.733 119.083 119.914 -0.163 0.000 3.484 17 V HA 0.546 4.665 4.120 -0.002 0.000 0.252 17 V C 0.719 176.813 176.094 -0.000 0.000 1.282 17 V CA 0.318 62.602 62.300 -0.025 0.000 1.104 17 V CB -0.121 31.666 31.823 -0.060 0.000 0.868 17 V HN 0.401 nan 8.190 nan 0.000 0.457 18 G N 0.586 109.358 108.800 -0.046 0.000 3.137 18 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.686 18 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.686 18 G C 0.151 175.035 174.900 -0.026 0.000 0.988 18 G CA 0.187 45.296 45.100 0.014 0.000 0.789 18 G HN 0.105 nan 8.290 nan 0.000 0.544 19 M N 1.209 120.801 119.600 -0.013 0.000 2.202 19 M HA -0.056 4.423 4.480 -0.002 0.000 0.262 19 M C 1.871 178.239 176.300 0.114 0.000 1.063 19 M CA 2.082 57.386 55.300 0.006 0.000 1.097 19 M CB -0.355 32.318 32.600 0.122 0.000 1.382 19 M HN 0.774 nan 8.290 nan 0.000 0.413 20 K N 0.202 120.667 120.400 0.109 0.000 2.948 20 K HA -0.203 4.116 4.320 -0.002 0.000 0.253 20 K C -0.386 176.298 176.600 0.141 0.000 0.970 20 K CA 0.640 56.999 56.287 0.120 0.000 0.716 20 K CB -1.510 31.052 32.500 0.104 0.000 1.249 20 K HN 0.154 nan 8.250 nan 0.000 0.483 21 K N 0.865 121.357 120.400 0.153 0.000 2.110 21 K HA 0.189 4.508 4.320 -0.002 0.000 0.263 21 K C 1.092 177.747 176.600 0.091 0.000 0.975 21 K CA -0.358 56.002 56.287 0.123 0.000 0.895 21 K CB 0.972 33.538 32.500 0.109 0.000 1.060 21 K HN 0.084 nan 8.250 nan 0.000 0.448 22 Q N 1.064 120.908 119.800 0.074 0.000 2.077 22 Q HA -0.144 4.194 4.340 -0.002 0.000 0.206 22 Q C -0.116 175.931 176.000 0.078 0.000 0.989 22 Q CA 1.606 57.453 55.803 0.073 0.000 0.853 22 Q CB 0.156 28.931 28.738 0.062 0.000 0.907 22 Q HN 0.268 nan 8.270 nan 0.000 0.418 23 K N 0.487 120.925 120.400 0.063 0.000 2.221 23 K HA 0.447 4.766 4.320 -0.002 0.000 0.243 23 K C -0.844 175.782 176.600 0.043 0.000 0.968 23 K CA -0.324 56.002 56.287 0.065 0.000 0.846 23 K CB 2.116 34.646 32.500 0.051 0.000 1.141 23 K HN 0.010 nan 8.250 nan 0.000 0.434 24 E N 1.025 121.254 120.200 0.049 0.000 2.363 24 E HA 0.283 4.632 4.350 -0.002 0.000 0.281 24 E C -1.619 174.955 176.600 -0.043 0.000 0.953 24 E CA -0.547 55.833 56.400 -0.032 0.000 0.778 24 E CB 2.495 32.186 29.700 -0.015 0.000 1.220 24 E HN 0.479 nan 8.360 nan 0.000 0.431 25 R N 3.910 124.291 120.500 -0.197 0.000 2.621 25 R HA 0.455 4.794 4.340 -0.002 0.000 0.292 25 R C -1.643 174.416 176.300 -0.402 0.000 0.969 25 R CA -0.503 55.511 56.100 -0.142 0.000 0.887 25 R CB 0.925 31.187 30.300 -0.063 0.000 1.180 25 R HN 0.331 nan 8.270 nan 0.000 0.450 26 F N 3.814 123.659 119.950 -0.176 0.000 2.361 26 F HA 0.329 4.855 4.527 -0.002 0.000 0.364 26 F C -0.200 175.262 175.800 -0.563 0.000 1.117 26 F CA -0.753 56.965 58.000 -0.470 0.000 1.071 26 F CB 1.991 40.630 39.000 -0.600 0.000 1.188 26 F HN 0.083 nan 8.300 nan 0.000 0.464 27 V N 5.319 125.016 119.914 -0.361 0.000 2.304 27 V HA 0.245 4.364 4.120 -0.002 0.000 0.269 27 V C -0.230 175.754 176.094 -0.184 0.000 1.036 27 V CA -0.748 61.449 62.300 -0.171 0.000 0.840 27 V CB -0.148 31.655 31.823 -0.034 0.000 1.036 27 V HN 0.405 nan 8.190 nan 0.000 0.466 28 F N 6.136 126.132 119.950 0.077 0.000 2.396 28 F HA 0.702 5.228 4.527 -0.002 0.000 0.343 28 F C 0.099 175.938 175.800 0.064 0.000 1.104 28 F CA -0.507 57.478 58.000 -0.024 0.000 1.161 28 F CB 0.856 39.759 39.000 -0.163 0.000 1.146 28 F HN 0.527 nan 8.300 nan 0.000 0.522 29 F N -0.015 119.986 119.950 0.084 0.000 2.662 29 F HA 0.678 5.204 4.527 -0.002 0.000 0.312 29 F C -1.518 174.269 175.800 -0.021 0.000 1.113 29 F CA -1.431 56.579 58.000 0.017 0.000 0.951 29 F CB 1.454 40.468 39.000 0.024 0.000 1.344 29 F HN 0.519 nan 8.300 nan 0.000 0.462 30 Q N 1.009 120.871 119.800 0.103 0.000 2.348 30 Q HA 0.775 5.113 4.340 -0.002 0.000 0.271 30 Q C -1.812 174.394 176.000 0.344 0.000 1.067 30 Q CA -1.321 54.465 55.803 -0.029 0.000 0.839 30 Q CB 2.584 31.148 28.738 -0.291 0.000 1.354 30 Q HN 0.641 nan 8.270 nan 0.000 0.447 31 V N 3.095 123.349 119.914 0.566 0.000 2.461 31 V HA 0.082 4.201 4.120 -0.002 0.000 0.275 31 V C 0.107 176.309 176.094 0.179 0.000 1.047 31 V CA -0.406 62.020 62.300 0.210 0.000 0.955 31 V CB 0.943 32.728 31.823 -0.064 0.000 0.988 31 V HN 0.822 nan 8.190 nan 0.000 0.471 32 N N 2.847 121.630 118.700 0.139 0.000 2.333 32 N HA 0.038 4.777 4.740 -0.002 0.000 0.183 32 N C 0.310 175.882 175.510 0.103 0.000 1.030 32 N CA 0.531 53.650 53.050 0.116 0.000 0.867 32 N CB 0.222 38.773 38.487 0.106 0.000 1.027 32 N HN 0.755 nan 8.380 nan 0.000 0.435 33 D N -0.069 120.408 120.400 0.128 0.000 2.462 33 D HA 0.523 5.162 4.640 -0.002 0.000 0.245 33 D C 0.481 176.884 176.300 0.172 0.000 1.122 33 D CA -0.458 53.617 54.000 0.125 0.000 0.864 33 D CB 1.370 42.240 40.800 0.117 0.000 1.098 33 D HN 0.125 nan 8.370 nan 0.000 0.541 34 A N 2.842 125.740 122.820 0.130 0.000 1.873 34 A HA -0.199 4.120 4.320 -0.002 0.000 0.218 34 A C 2.011 179.718 177.584 0.205 0.000 1.193 34 A CA 2.140 54.274 52.037 0.162 0.000 0.629 34 A CB -0.892 18.154 19.000 0.076 0.000 0.826 34 A HN 0.607 nan 8.150 nan 0.000 0.447 35 T N -0.534 114.097 114.554 0.128 0.000 2.652 35 T HA -0.182 4.167 4.350 -0.002 0.000 0.267 35 T C 2.282 177.049 174.700 0.113 0.000 1.039 35 T CA 1.893 64.051 62.100 0.098 0.000 1.153 35 T CB -0.532 68.373 68.868 0.061 0.000 0.863 35 T HN 0.528 nan 8.240 nan 0.000 0.428 36 S N 0.332 116.108 115.700 0.127 0.000 2.365 36 S HA -0.145 4.324 4.470 -0.002 0.000 0.225 36 S C 1.750 176.451 174.600 0.168 0.000 1.039 36 S CA 1.437 59.709 58.200 0.120 0.000 1.033 36 S CB -0.611 62.667 63.200 0.130 0.000 0.887 36 S HN 0.465 nan 8.310 nan 0.000 0.447 37 F N 2.258 122.292 119.950 0.141 0.000 2.102 37 F HA -0.070 4.456 4.527 -0.001 0.000 0.298 37 F C 2.100 178.038 175.800 0.230 0.000 1.105 37 F CA 1.833 59.983 58.000 0.249 0.000 1.239 37 F CB -0.385 38.759 39.000 0.240 0.000 0.991 37 F HN 0.160 nan 8.300 nan 0.000 0.474 38 K N -0.607 119.857 120.400 0.107 0.000 2.057 38 K HA -0.137 4.182 4.320 -0.002 0.000 0.207 38 K C 1.999 178.544 176.600 -0.093 0.000 1.049 38 K CA 1.882 58.154 56.287 -0.026 0.000 0.931 38 K CB -0.768 31.769 32.500 0.062 0.000 0.714 38 K HN 0.257 nan 8.250 nan 0.000 0.440 39 T N 1.355 115.874 114.554 -0.057 0.000 2.684 39 T HA -0.159 4.190 4.350 -0.002 0.000 0.267 39 T C 2.060 176.667 174.700 -0.156 0.000 1.036 39 T CA 1.520 63.572 62.100 -0.079 0.000 1.148 39 T CB -0.265 68.573 68.868 -0.049 0.000 0.863 39 T HN 0.366 nan 8.240 nan 0.000 0.436 40 A N 0.990 123.664 122.820 -0.242 0.000 1.933 40 A HA -0.004 4.314 4.320 -0.002 0.000 0.218 40 A C 2.220 179.518 177.584 -0.477 0.000 1.175 40 A CA 1.136 52.887 52.037 -0.475 0.000 0.628 40 A CB -0.814 17.703 19.000 -0.806 0.000 0.814 40 A HN 0.386 nan 8.150 nan 0.000 0.444 41 L N -0.073 120.948 121.223 -0.337 0.000 2.042 41 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 41 L C 2.288 179.143 176.870 -0.025 0.000 1.076 41 L CA 2.202 56.980 54.840 -0.104 0.000 0.749 41 L CB -0.452 41.511 42.059 -0.160 0.000 0.893 41 L HN 0.347 nan 8.230 nan 0.000 0.432 42 K N -1.609 118.748 120.400 -0.071 0.000 2.152 42 K HA -0.186 4.133 4.320 -0.002 0.000 0.206 42 K C 1.968 178.540 176.600 -0.047 0.000 1.048 42 K CA 1.786 58.047 56.287 -0.044 0.000 0.933 42 K CB -0.209 32.261 32.500 -0.051 0.000 0.721 42 K HN 0.614 nan 8.250 nan 0.000 0.447 43 T N -2.314 112.193 114.554 -0.079 0.000 3.040 43 T HA -0.066 4.283 4.350 -0.002 0.000 0.252 43 T C 1.748 176.411 174.700 -0.063 0.000 1.064 43 T CA 0.052 62.104 62.100 -0.080 0.000 1.110 43 T CB -0.230 68.573 68.868 -0.108 0.000 0.921 43 T HN 0.217 nan 8.240 nan 0.000 0.480 44 Y N 1.981 122.180 120.300 -0.168 0.000 2.184 44 Y HA 0.058 4.607 4.550 -0.002 0.000 0.290 44 Y C 2.278 178.197 175.900 0.031 0.000 1.129 44 Y CA 1.210 59.259 58.100 -0.084 0.000 1.144 44 Y CB -0.502 37.919 38.460 -0.065 0.000 0.995 44 Y HN 0.058 nan 8.280 nan 0.000 0.513 45 V N 2.437 122.413 119.914 0.104 0.000 2.214 45 V HA -0.307 3.812 4.120 -0.002 0.000 0.247 45 V C -0.224 175.831 176.094 -0.065 0.000 1.051 45 V CA 2.812 65.144 62.300 0.054 0.000 1.003 45 V CB -2.173 29.710 31.823 0.099 0.000 0.635 45 V HN 0.347 nan 8.190 nan 0.000 0.447 46 P HA -0.227 nan 4.420 nan 0.000 0.220 46 P C 1.391 178.635 177.300 -0.093 0.000 1.144 46 P CA 1.951 65.015 63.100 -0.060 0.000 0.800 46 P CB 0.087 31.759 31.700 -0.047 0.000 0.772 47 E N -0.949 119.157 120.200 -0.156 0.000 2.276 47 E HA -0.033 4.316 4.350 -0.002 0.000 0.193 47 E C 1.778 178.245 176.600 -0.222 0.000 0.983 47 E CA 0.242 56.532 56.400 -0.184 0.000 0.861 47 E CB 0.326 29.898 29.700 -0.212 0.000 0.817 47 E HN 0.011 nan 8.360 nan 0.000 0.485 48 R N -0.154 120.138 120.500 -0.347 0.000 2.470 48 R HA 0.200 4.539 4.340 -0.002 0.000 0.210 48 R C 0.359 176.607 176.300 -0.088 0.000 0.873 48 R CA -0.216 55.720 56.100 -0.273 0.000 1.015 48 R CB 0.306 30.216 30.300 -0.651 0.000 1.348 48 R HN 0.080 nan 8.270 nan 0.000 0.650 49 I N 3.581 124.110 120.570 -0.068 0.000 2.680 49 I HA -0.037 4.132 4.170 -0.002 0.000 0.286 49 I C 0.830 176.948 176.117 0.002 0.000 1.144 49 I CA 0.548 61.865 61.300 0.027 0.000 1.370 49 I CB -0.427 37.606 38.000 0.055 0.000 1.420 49 I HN -0.074 nan 8.210 nan 0.000 0.540 50 T N 5.541 120.104 114.554 0.014 0.000 2.817 50 T HA 0.387 4.736 4.350 -0.002 0.000 0.293 50 T C 0.520 175.165 174.700 -0.092 0.000 0.964 50 T CA -0.523 61.569 62.100 -0.012 0.000 1.085 50 T CB 0.542 69.454 68.868 0.074 0.000 0.921 50 T HN 0.731 nan 8.240 nan 0.000 0.502 51 S N 3.985 119.622 115.700 -0.104 0.000 2.707 51 S HA 0.655 5.124 4.470 -0.002 0.000 0.276 51 S C 1.837 176.325 174.600 -0.186 0.000 1.179 51 S CA -0.396 57.721 58.200 -0.139 0.000 0.992 51 S CB 0.788 63.925 63.200 -0.105 0.000 1.030 51 S HN 0.982 nan 8.310 nan 0.000 0.554 52 A N 1.204 123.901 122.820 -0.205 0.000 1.877 52 A HA 0.136 4.455 4.320 -0.002 0.000 0.216 52 A C 2.456 179.950 177.584 -0.151 0.000 1.186 52 A CA 2.039 53.940 52.037 -0.227 0.000 0.620 52 A CB -1.870 16.947 19.000 -0.304 0.000 0.822 52 A HN 1.463 nan 8.150 nan 0.000 0.443 53 A N -0.089 122.663 122.820 -0.113 0.000 1.927 53 A HA -0.177 4.142 4.320 -0.002 0.000 0.220 53 A C 1.982 179.534 177.584 -0.053 0.000 1.185 53 A CA 1.945 53.947 52.037 -0.058 0.000 0.639 53 A CB -0.554 18.417 19.000 -0.048 0.000 0.820 53 A HN 0.440 nan 8.150 nan 0.000 0.451 54 I N -0.456 120.067 120.570 -0.078 0.000 2.353 54 I HA -0.142 4.027 4.170 -0.002 0.000 0.248 54 I C 2.384 178.443 176.117 -0.096 0.000 1.119 54 I CA 0.952 62.218 61.300 -0.057 0.000 1.417 54 I CB -1.283 36.696 38.000 -0.035 0.000 1.078 54 I HN 0.298 nan 8.210 nan 0.000 0.421 55 L N 0.730 121.822 121.223 -0.218 0.000 2.141 55 L HA -0.119 4.220 4.340 -0.002 0.000 0.209 55 L C 2.353 179.157 176.870 -0.109 0.000 1.094 55 L CA 1.137 55.794 54.840 -0.305 0.000 0.763 55 L CB -0.349 41.459 42.059 -0.419 0.000 0.908 55 L HN 0.256 nan 8.230 nan 0.000 0.437 56 I N -3.195 117.349 120.570 -0.044 0.000 3.793 56 I HA 0.104 4.273 4.170 -0.002 0.000 0.315 56 I C 1.303 177.434 176.117 0.024 0.000 1.275 56 I CA -0.265 61.049 61.300 0.023 0.000 1.214 56 I CB -0.145 37.910 38.000 0.091 0.000 1.018 56 I HN 0.119 nan 8.210 nan 0.000 0.439 57 S N 1.939 117.646 115.700 0.012 0.000 2.645 57 S HA 0.163 4.631 4.470 -0.002 0.000 0.266 57 S C 0.059 174.678 174.600 0.031 0.000 1.258 57 S CA -0.700 57.512 58.200 0.020 0.000 0.990 57 S CB 0.831 64.040 63.200 0.015 0.000 0.967 57 S HN 0.424 nan 8.310 nan 0.000 0.556 58 D N 0.341 120.758 120.400 0.028 0.000 2.455 58 D HA 0.153 4.792 4.640 -0.002 0.000 0.241 58 D C -1.893 174.431 176.300 0.040 0.000 1.138 58 D CA -1.544 52.475 54.000 0.031 0.000 0.877 58 D CB -0.050 40.763 40.800 0.022 0.000 1.187 58 D HN 0.182 nan 8.370 nan 0.000 0.451 59 P HA -0.220 nan 4.420 nan 0.000 0.220 59 P C 1.451 178.766 177.300 0.025 0.000 1.155 59 P CA 1.805 64.932 63.100 0.045 0.000 0.880 59 P CB 0.063 31.785 31.700 0.037 0.000 0.790 60 S N -1.371 114.340 115.700 0.018 0.000 2.413 60 S HA -0.237 4.232 4.470 -0.002 0.000 0.237 60 S C 1.318 175.922 174.600 0.006 0.000 1.044 60 S CA 1.562 59.767 58.200 0.009 0.000 1.024 60 S CB -0.651 62.555 63.200 0.009 0.000 0.829 60 S HN 0.315 nan 8.310 nan 0.000 0.475 61 Q N 0.238 120.047 119.800 0.015 0.000 2.141 61 Q HA 0.324 4.663 4.340 -0.002 0.000 0.248 61 Q C -0.480 175.538 176.000 0.028 0.000 0.834 61 Q CA 0.048 55.859 55.803 0.013 0.000 1.096 61 Q CB 0.713 29.459 28.738 0.012 0.000 1.189 61 Q HN 0.533 nan 8.270 nan 0.000 0.471 62 Q N 0.448 120.271 119.800 0.039 0.000 2.235 62 Q HA 0.470 4.809 4.340 -0.002 0.000 0.256 62 Q C -2.121 173.869 176.000 -0.017 0.000 0.951 62 Q CA -2.019 53.836 55.803 0.086 0.000 0.890 62 Q CB 0.792 29.643 28.738 0.187 0.000 1.279 62 Q HN 0.044 nan 8.270 nan 0.000 0.444 63 P HA -0.036 nan 4.420 nan 0.000 0.271 63 P C 0.227 177.317 177.300 -0.350 0.000 1.238 63 P CA -0.058 62.963 63.100 -0.131 0.000 0.794 63 P CB 0.624 32.272 31.700 -0.087 0.000 0.959 64 L N -0.845 120.165 121.223 -0.355 0.000 2.291 64 L HA 0.117 4.455 4.340 -0.002 0.000 0.214 64 L C 0.913 177.288 176.870 -0.824 0.000 1.120 64 L CA 0.803 55.267 54.840 -0.627 0.000 0.799 64 L CB -0.312 41.328 42.059 -0.697 0.000 0.925 64 L HN 0.394 nan 8.230 nan 0.000 0.446 65 A N -1.236 120.983 122.820 -1.003 0.000 2.547 65 A HA 0.624 4.943 4.320 -0.002 0.000 0.297 65 A C -1.389 175.637 177.584 -0.930 0.000 1.056 65 A CA -0.544 50.800 52.037 -1.156 0.000 0.688 65 A CB 0.848 18.942 19.000 -1.509 0.000 1.282 65 A HN -0.071 nan 8.150 nan 0.000 0.400 66 F N 0.791 120.510 119.950 -0.385 0.000 2.399 66 F HA 0.639 5.165 4.527 -0.002 0.000 0.334 66 F C 0.292 175.969 175.800 -0.204 0.000 1.097 66 F CA -0.849 57.008 58.000 -0.239 0.000 1.076 66 F CB 1.855 40.759 39.000 -0.160 0.000 1.162 66 F HN 0.262 nan 8.300 nan 0.000 0.495 67 V N 3.004 122.976 119.914 0.097 0.000 2.686 67 V HA 0.487 4.606 4.120 -0.002 0.000 0.306 67 V C -0.787 175.369 176.094 0.102 0.000 1.065 67 V CA -0.805 61.560 62.300 0.107 0.000 0.894 67 V CB 2.012 33.969 31.823 0.223 0.000 1.004 67 V HN 0.702 nan 8.190 nan 0.000 0.424 68 N N 2.459 121.197 118.700 0.064 0.000 2.321 68 N HA 0.831 5.570 4.740 -0.002 0.000 0.290 68 N C -1.599 173.884 175.510 -0.044 0.000 1.212 68 N CA -0.539 52.510 53.050 -0.002 0.000 0.767 68 N CB 2.416 40.868 38.487 -0.058 0.000 1.494 68 N HN 0.621 nan 8.380 nan 0.000 0.479 69 L N 0.014 121.157 121.223 -0.133 0.000 2.436 69 L HA 0.879 5.218 4.340 -0.002 0.000 0.268 69 L C -0.439 176.207 176.870 -0.374 0.000 0.974 69 L CA -0.333 54.289 54.840 -0.364 0.000 0.826 69 L CB 1.670 43.478 42.059 -0.418 0.000 1.291 69 L HN 0.563 nan 8.230 nan 0.000 0.406 70 G N 2.887 111.382 108.800 -0.508 0.000 2.519 70 G HA2 0.693 4.652 3.960 -0.002 0.000 0.307 70 G HA3 0.693 4.652 3.960 -0.002 0.000 0.307 70 G C -1.791 172.874 174.900 -0.391 0.000 1.266 70 G CA -0.420 44.496 45.100 -0.306 0.000 0.970 70 G HN 0.360 nan 8.290 nan 0.000 0.481 71 F N 0.501 120.659 119.950 0.347 0.000 2.546 71 F HA 0.608 5.134 4.527 -0.002 0.000 0.320 71 F C 0.891 177.123 175.800 0.719 0.000 1.076 71 F CA -0.699 57.562 58.000 0.434 0.000 0.928 71 F CB 2.576 41.803 39.000 0.379 0.000 1.189 71 F HN 0.567 nan 8.300 nan 0.000 0.465 72 S N 0.448 116.584 115.700 0.727 0.000 2.693 72 S HA 0.238 4.706 4.470 -0.002 0.000 0.276 72 S C 0.797 175.546 174.600 0.249 0.000 1.192 72 S CA -0.431 58.017 58.200 0.414 0.000 0.994 72 S CB 1.205 64.493 63.200 0.146 0.000 1.012 72 S HN 0.711 nan 8.310 nan 0.000 0.550 73 N N 0.898 119.382 118.700 -0.359 0.000 2.120 73 N HA -0.168 4.571 4.740 -0.002 0.000 0.188 73 N C 1.822 177.314 175.510 -0.031 0.000 1.024 73 N CA 2.443 55.309 53.050 -0.307 0.000 0.852 73 N CB -0.819 37.321 38.487 -0.577 0.000 1.003 73 N HN 0.857 nan 8.380 nan 0.000 0.424 74 T N -3.608 110.936 114.554 -0.016 0.000 2.929 74 T HA 0.016 4.364 4.350 -0.002 0.000 0.271 74 T C 1.966 176.635 174.700 -0.052 0.000 1.085 74 T CA 1.086 63.210 62.100 0.040 0.000 1.125 74 T CB -0.953 68.009 68.868 0.157 0.000 0.874 74 T HN 0.244 nan 8.240 nan 0.000 0.494 75 G N 1.680 110.509 108.800 0.048 0.000 2.394 75 G HA2 0.038 3.997 3.960 -0.002 0.000 0.214 75 G HA3 0.038 3.997 3.960 -0.002 0.000 0.214 75 G C 1.505 176.347 174.900 -0.097 0.000 1.176 75 G CA 0.500 45.568 45.100 -0.053 0.000 0.786 75 G HN 0.511 nan 8.290 nan 0.000 0.533 76 L N 0.058 121.309 121.223 0.046 0.000 2.083 76 L HA -0.115 4.224 4.340 -0.002 0.000 0.209 76 L C 3.171 180.014 176.870 -0.046 0.000 1.083 76 L CA 0.886 55.723 54.840 -0.005 0.000 0.752 76 L CB -0.398 41.773 42.059 0.186 0.000 0.899 76 L HN 0.182 nan 8.230 nan 0.000 0.433 77 Q N -0.028 119.750 119.800 -0.036 0.000 2.084 77 Q HA -0.153 4.185 4.340 -0.002 0.000 0.202 77 Q C 2.446 178.383 176.000 -0.105 0.000 0.978 77 Q CA 1.779 57.552 55.803 -0.049 0.000 0.844 77 Q CB -0.321 28.398 28.738 -0.033 0.000 0.898 77 Q HN 0.533 nan 8.270 nan 0.000 0.426 78 A N 0.476 123.168 122.820 -0.214 0.000 2.019 78 A HA -0.086 4.233 4.320 -0.002 0.000 0.219 78 A C 1.925 179.411 177.584 -0.164 0.000 1.164 78 A CA 0.885 52.770 52.037 -0.254 0.000 0.644 78 A CB -0.404 18.240 19.000 -0.594 0.000 0.805 78 A HN 0.315 nan 8.150 nan 0.000 0.449 79 L N -1.338 119.788 121.223 -0.162 0.000 2.611 79 L HA 0.231 4.570 4.340 -0.002 0.000 0.229 79 L C 1.655 178.477 176.870 -0.080 0.000 1.137 79 L CA 0.444 55.220 54.840 -0.106 0.000 0.901 79 L CB -0.127 41.838 42.059 -0.155 0.000 1.098 79 L HN 0.557 nan 8.230 nan 0.000 0.456 80 G N 0.868 109.626 108.800 -0.070 0.000 2.184 80 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.264 80 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.264 80 G C 0.113 174.981 174.900 -0.054 0.000 0.975 80 G CA -0.140 44.930 45.100 -0.049 0.000 0.642 80 G HN 0.220 nan 8.290 nan 0.000 0.536 81 I N 2.519 123.044 120.570 -0.075 0.000 2.329 81 I HA 0.361 4.530 4.170 -0.002 0.000 0.295 81 I C 1.649 177.790 176.117 0.040 0.000 1.109 81 I CA 0.915 62.176 61.300 -0.066 0.000 1.297 81 I CB 1.204 39.115 38.000 -0.149 0.000 1.433 81 I HN 0.257 nan 8.210 nan 0.000 0.509 82 T N -0.281 114.307 114.554 0.057 0.000 3.105 82 T HA 0.229 4.578 4.350 -0.002 0.000 0.253 82 T C 0.435 175.211 174.700 0.126 0.000 1.047 82 T CA -0.553 61.598 62.100 0.084 0.000 0.944 82 T CB -0.628 68.270 68.868 0.050 0.000 1.016 82 T HN 0.349 nan 8.240 nan 0.000 0.544 83 D N 2.854 123.371 120.400 0.195 0.000 2.419 83 D HA 0.165 4.803 4.640 -0.002 0.000 0.236 83 D C -0.066 176.325 176.300 0.152 0.000 1.165 83 D CA 0.353 54.482 54.000 0.214 0.000 0.882 83 D CB 0.370 41.417 40.800 0.411 0.000 1.201 83 D HN 0.214 nan 8.370 nan 0.000 0.443 84 D N 1.558 122.008 120.400 0.083 0.000 2.339 84 D HA 0.047 4.686 4.640 -0.002 0.000 0.241 84 D C 0.756 177.046 176.300 -0.018 0.000 1.183 84 D CA -0.190 53.841 54.000 0.051 0.000 0.859 84 D CB 0.734 41.552 40.800 0.030 0.000 1.067 84 D HN 0.343 nan 8.370 nan 0.000 0.484 85 L N 3.214 124.422 121.223 -0.025 0.000 2.376 85 L HA 0.066 4.405 4.340 -0.002 0.000 0.219 85 L C 1.873 178.683 176.870 -0.101 0.000 1.133 85 L CA 0.794 55.524 54.840 -0.185 0.000 0.816 85 L CB -0.230 41.667 42.059 -0.271 0.000 0.933 85 L HN 0.782 nan 8.230 nan 0.000 0.449 86 G N -0.627 108.148 108.800 -0.042 0.000 2.194 86 G HA2 -0.259 3.699 3.960 -0.002 0.000 0.236 86 G HA3 -0.259 3.699 3.960 -0.002 0.000 0.236 86 G C 0.104 174.962 174.900 -0.070 0.000 0.987 86 G CA 0.144 45.217 45.100 -0.046 0.000 0.635 86 G HN 0.412 nan 8.290 nan 0.000 0.520 87 D N 0.359 120.683 120.400 -0.128 0.000 2.210 87 D HA 0.636 5.275 4.640 -0.002 0.000 0.249 87 D C 1.440 177.659 176.300 -0.135 0.000 1.062 87 D CA 0.191 54.030 54.000 -0.269 0.000 0.891 87 D CB 1.514 41.846 40.800 -0.781 0.000 1.186 87 D HN 0.279 nan 8.370 nan 0.000 0.432 88 A N 3.174 125.920 122.820 -0.124 0.000 2.016 88 A HA -0.106 4.213 4.320 -0.002 0.000 0.217 88 A C 1.776 179.338 177.584 -0.036 0.000 1.162 88 A CA 1.068 53.070 52.037 -0.059 0.000 0.662 88 A CB 0.048 19.020 19.000 -0.047 0.000 0.812 88 A HN 0.533 nan 8.150 nan 0.000 0.450 89 Q N -1.947 117.807 119.800 -0.078 0.000 2.324 89 Q HA 0.188 4.527 4.340 -0.002 0.000 0.207 89 Q C 1.565 177.624 176.000 0.099 0.000 0.928 89 Q CA 0.647 56.446 55.803 -0.007 0.000 0.890 89 Q CB -0.497 28.172 28.738 -0.115 0.000 1.001 89 Q HN 0.589 nan 8.270 nan 0.000 0.517 90 F N 2.297 122.167 119.950 -0.134 0.000 2.085 90 F HA -0.231 4.294 4.527 -0.002 0.000 0.299 90 F C -1.078 174.802 175.800 0.134 0.000 1.096 90 F CA 1.647 59.672 58.000 0.042 0.000 1.227 90 F CB -1.287 37.688 39.000 -0.042 0.000 0.983 90 F HN 0.113 nan 8.300 nan 0.000 0.482 91 P HA -0.184 nan 4.420 nan 0.000 0.215 91 P C 0.902 178.133 177.300 -0.115 0.000 1.157 91 P CA 2.319 65.355 63.100 -0.106 0.000 0.874 91 P CB -0.143 31.569 31.700 0.020 0.000 0.790 92 D N -1.404 118.973 120.400 -0.038 0.000 2.340 92 D HA 0.171 4.810 4.640 -0.002 0.000 0.220 92 D C 1.066 177.352 176.300 -0.024 0.000 1.039 92 D CA 0.710 54.694 54.000 -0.027 0.000 0.866 92 D CB 0.135 40.931 40.800 -0.006 0.000 0.913 92 D HN 0.168 nan 8.370 nan 0.000 0.523 93 G N 1.934 110.724 108.800 -0.017 0.000 2.730 93 G HA2 -0.285 3.673 3.960 -0.002 0.000 0.686 93 G HA3 -0.285 3.673 3.960 -0.002 0.000 0.686 93 G C 0.223 175.100 174.900 -0.039 0.000 1.343 93 G CA -0.129 44.952 45.100 -0.032 0.000 0.826 93 G HN 0.175 nan 8.290 nan 0.000 0.582 94 Q N -0.374 119.272 119.800 -0.257 0.000 2.096 94 Q HA -0.007 4.331 4.340 -0.002 0.000 0.197 94 Q C 2.371 178.303 176.000 -0.112 0.000 0.964 94 Q CA 1.706 57.240 55.803 -0.449 0.000 0.838 94 Q CB -0.116 28.197 28.738 -0.710 0.000 0.906 94 Q HN 0.765 nan 8.270 nan 0.000 0.444 95 F N 0.911 120.698 119.950 -0.272 0.000 2.202 95 F HA -0.121 4.405 4.527 -0.002 0.000 0.301 95 F C 1.817 177.338 175.800 -0.464 0.000 1.082 95 F CA 1.383 58.969 58.000 -0.689 0.000 1.313 95 F CB -0.396 38.297 39.000 -0.511 0.000 1.024 95 F HN 0.132 nan 8.300 nan 0.000 0.495 96 A N -1.240 121.430 122.820 -0.250 0.000 2.206 96 A HA -0.052 4.267 4.320 -0.002 0.000 0.211 96 A C 1.559 179.018 177.584 -0.208 0.000 1.158 96 A CA 1.414 53.287 52.037 -0.274 0.000 0.761 96 A CB -0.607 18.319 19.000 -0.122 0.000 0.801 96 A HN 0.424 nan 8.150 nan 0.000 0.473 97 D N -1.605 118.707 120.400 -0.147 0.000 2.449 97 D HA 0.335 4.974 4.640 -0.002 0.000 0.210 97 D C 1.812 178.081 176.300 -0.052 0.000 1.094 97 D CA 0.765 54.748 54.000 -0.027 0.000 0.846 97 D CB 0.072 40.977 40.800 0.176 0.000 1.003 97 D HN 0.190 nan 8.370 nan 0.000 0.504 98 A N 0.892 123.603 122.820 -0.181 0.000 1.917 98 A HA -0.103 4.216 4.320 -0.002 0.000 0.219 98 A C 2.366 179.880 177.584 -0.116 0.000 1.182 98 A CA 2.247 54.205 52.037 -0.132 0.000 0.633 98 A CB -1.055 17.655 19.000 -0.483 0.000 0.819 98 A HN 0.299 nan 8.150 nan 0.000 0.448 99 A N 0.268 122.956 122.820 -0.219 0.000 1.883 99 A HA -0.245 4.074 4.320 -0.002 0.000 0.217 99 A C 1.918 179.450 177.584 -0.086 0.000 1.186 99 A CA 1.843 53.786 52.037 -0.156 0.000 0.624 99 A CB -0.728 18.159 19.000 -0.189 0.000 0.822 99 A HN 0.603 nan 8.150 nan 0.000 0.444 100 N N 0.184 118.841 118.700 -0.072 0.000 2.205 100 N HA -0.112 4.627 4.740 -0.002 0.000 0.186 100 N C 1.526 177.015 175.510 -0.034 0.000 1.015 100 N CA 1.378 54.400 53.050 -0.047 0.000 0.862 100 N CB -0.468 38.002 38.487 -0.027 0.000 0.986 100 N HN 0.541 nan 8.380 nan 0.000 0.429 101 L N -0.278 120.949 121.223 0.007 0.000 2.465 101 L HA 0.048 4.387 4.340 -0.002 0.000 0.224 101 L C 1.286 178.158 176.870 0.003 0.000 1.145 101 L CA 0.570 55.424 54.840 0.023 0.000 0.834 101 L CB -0.380 41.769 42.059 0.150 0.000 0.944 101 L HN 0.242 nan 8.230 nan 0.000 0.451 102 G N -0.245 108.551 108.800 -0.007 0.000 2.131 102 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.223 102 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.223 102 G C -0.244 174.667 174.900 0.017 0.000 0.990 102 G CA -0.185 44.906 45.100 -0.016 0.000 0.671 102 G HN 0.310 nan 8.290 nan 0.000 0.521 103 D N 0.460 120.896 120.400 0.059 0.000 2.362 103 D HA 0.428 5.067 4.640 -0.002 0.000 0.242 103 D C 0.204 176.551 176.300 0.078 0.000 1.132 103 D CA 0.059 54.140 54.000 0.135 0.000 0.907 103 D CB 0.839 41.809 40.800 0.282 0.000 1.195 103 D HN 0.130 nan 8.370 nan 0.000 0.429 104 D N 1.955 122.430 120.400 0.124 0.000 2.479 104 D HA 0.061 4.699 4.640 -0.002 0.000 0.218 104 D C 1.105 177.494 176.300 0.148 0.000 1.131 104 D CA -0.259 53.792 54.000 0.086 0.000 0.916 104 D CB 0.188 41.031 40.800 0.072 0.000 1.022 104 D HN 0.324 nan 8.370 nan 0.000 0.515 105 L N 2.434 123.687 121.223 0.051 0.000 2.197 105 L HA -0.257 4.082 4.340 -0.002 0.000 0.215 105 L C 2.387 179.366 176.870 0.182 0.000 1.095 105 L CA 1.450 56.319 54.840 0.048 0.000 0.764 105 L CB -0.728 41.260 42.059 -0.118 0.000 0.897 105 L HN 0.394 nan 8.230 nan 0.000 0.436 106 S N -1.080 114.696 115.700 0.127 0.000 2.447 106 S HA -0.217 4.251 4.470 -0.002 0.000 0.233 106 S C 1.901 176.591 174.600 0.151 0.000 1.006 106 S CA 0.910 59.181 58.200 0.119 0.000 0.957 106 S CB -0.132 63.110 63.200 0.070 0.000 0.773 106 S HN 0.354 nan 8.310 nan 0.000 0.507 107 Q N -0.079 119.838 119.800 0.195 0.000 2.331 107 Q HA 0.270 4.608 4.340 -0.002 0.000 0.203 107 Q C -0.336 175.783 176.000 0.197 0.000 0.944 107 Q CA 0.222 56.123 55.803 0.164 0.000 0.892 107 Q CB -0.166 28.648 28.738 0.127 0.000 0.983 107 Q HN 0.687 nan 8.270 nan 0.000 0.482 108 W N 0.455 121.772 121.300 0.027 0.000 2.193 108 W HA 0.273 4.932 4.660 -0.002 0.000 0.338 108 W C 0.201 176.690 176.519 -0.050 0.000 1.310 108 W CA -0.438 56.895 57.345 -0.020 0.000 1.243 108 W CB 0.229 29.700 29.460 0.018 0.000 1.165 108 W HN -0.143 nan 8.180 nan 0.000 0.566 109 V N 0.566 120.551 119.914 0.120 0.000 3.001 109 V HA 0.900 5.019 4.120 -0.002 0.000 0.314 109 V C 0.159 176.312 176.094 0.098 0.000 1.099 109 V CA -1.882 60.469 62.300 0.084 0.000 0.989 109 V CB 0.793 32.652 31.823 0.059 0.000 1.040 109 V HN 0.745 nan 8.190 nan 0.000 0.434 110 A N 3.190 126.031 122.820 0.034 0.000 2.448 110 A HA 0.568 4.886 4.320 -0.002 0.000 0.239 110 A C -1.223 176.347 177.584 -0.023 0.000 1.080 110 A CA -0.530 51.491 52.037 -0.027 0.000 0.779 110 A CB -0.359 18.611 19.000 -0.050 0.000 1.026 110 A HN 0.932 nan 8.150 nan 0.000 0.499 111 P HA 0.197 nan 4.420 nan 0.000 0.249 111 P C -0.060 176.976 177.300 -0.440 0.000 1.583 111 P CA 0.257 63.167 63.100 -0.316 0.000 0.988 111 P CB -0.090 31.394 31.700 -0.360 0.000 1.530 112 F N 0.531 120.366 119.950 -0.191 0.000 2.569 112 F HA 0.010 4.536 4.527 -0.002 0.000 0.295 112 F C 1.869 177.538 175.800 -0.218 0.000 1.115 112 F CA 0.878 58.786 58.000 -0.153 0.000 1.450 112 F CB -0.870 38.033 39.000 -0.162 0.000 1.107 112 F HN -0.078 nan 8.300 nan 0.000 0.563 113 T N -0.997 113.377 114.554 -0.300 0.000 3.953 113 T HA 0.524 4.872 4.350 -0.002 0.000 0.236 113 T C 0.610 174.895 174.700 -0.691 0.000 0.861 113 T CA 0.384 61.796 62.100 -1.146 0.000 0.909 113 T CB -0.885 67.584 68.868 -0.664 0.000 1.240 113 T HN 0.358 nan 8.240 nan 0.000 0.683 114 G N 0.688 109.297 108.800 -0.318 0.000 2.441 114 G HA2 0.406 4.364 3.960 -0.002 0.000 0.225 114 G HA3 0.406 4.364 3.960 -0.002 0.000 0.225 114 G C -0.103 174.794 174.900 -0.005 0.000 1.200 114 G CA -0.128 44.960 45.100 -0.019 0.000 0.947 114 G HN 0.658 nan 8.290 nan 0.000 0.484 115 T N -2.335 112.201 114.554 -0.030 0.000 3.460 115 T HA 0.295 4.644 4.350 -0.002 0.000 0.304 115 T C 1.712 176.364 174.700 -0.080 0.000 0.991 115 T CA 1.334 63.410 62.100 -0.041 0.000 0.975 115 T CB 0.125 68.987 68.868 -0.011 0.000 1.196 115 T HN 1.259 nan 8.240 nan 0.000 0.490 116 T N 0.341 114.807 114.554 -0.147 0.000 2.915 116 T HA 0.193 4.542 4.350 -0.002 0.000 0.269 116 T C 0.925 175.371 174.700 -0.422 0.000 1.071 116 T CA 0.115 62.066 62.100 -0.249 0.000 1.132 116 T CB -0.748 67.992 68.868 -0.214 0.000 0.878 116 T HN 0.575 nan 8.240 nan 0.000 0.479 117 I N 1.925 122.310 120.570 -0.310 0.000 2.598 117 I HA 0.094 4.263 4.170 -0.002 0.000 0.284 117 I C 1.285 177.305 176.117 -0.161 0.000 1.140 117 I CA 0.084 61.213 61.300 -0.285 0.000 1.420 117 I CB 0.610 38.470 38.000 -0.234 0.000 1.387 117 I HN 0.326 nan 8.210 nan 0.000 0.553 118 H N 3.870 122.814 119.070 -0.210 0.000 2.639 118 H HA 0.310 4.865 4.556 -0.002 0.000 0.267 118 H C 0.920 176.122 175.328 -0.211 0.000 0.958 118 H CA -0.087 55.853 56.048 -0.179 0.000 1.221 118 H CB 0.858 30.510 29.762 -0.184 0.000 1.446 118 H HN 0.762 nan 8.280 nan 0.000 0.512 119 G N -0.016 108.464 108.800 -0.534 0.000 2.441 119 G HA2 0.375 4.334 3.960 -0.002 0.000 0.294 119 G HA3 0.375 4.334 3.960 -0.002 0.000 0.294 119 G C -2.100 172.295 174.900 -0.842 0.000 1.393 119 G CA -0.302 44.422 45.100 -0.626 0.000 0.796 119 G HN 0.078 nan 8.290 nan 0.000 0.494 120 V N -0.546 118.921 119.914 -0.744 0.000 2.888 120 V HA 0.817 4.935 4.120 -0.002 0.000 0.309 120 V C -1.670 174.123 176.094 -0.501 0.000 1.114 120 V CA -1.026 60.886 62.300 -0.647 0.000 0.940 120 V CB 1.783 32.937 31.823 -1.115 0.000 1.021 120 V HN 0.671 nan 8.190 nan 0.000 0.426 121 F N 6.144 125.922 119.950 -0.285 0.000 2.411 121 F HA 0.676 5.202 4.527 -0.002 0.000 0.352 121 F C -0.246 175.341 175.800 -0.354 0.000 1.123 121 F CA -0.549 57.305 58.000 -0.243 0.000 1.044 121 F CB 1.730 40.612 39.000 -0.195 0.000 1.135 121 F HN 0.260 nan 8.300 nan 0.000 0.461 122 L N 5.649 126.776 121.223 -0.160 0.000 2.265 122 L HA 0.466 4.805 4.340 -0.002 0.000 0.289 122 L C -0.386 176.355 176.870 -0.215 0.000 1.033 122 L CA -0.065 54.551 54.840 -0.374 0.000 0.814 122 L CB 0.808 42.673 42.059 -0.323 0.000 1.203 122 L HN 0.419 nan 8.230 nan 0.000 0.423 123 I N 2.642 123.046 120.570 -0.277 0.000 2.382 123 I HA 0.569 4.738 4.170 -0.002 0.000 0.286 123 I C 0.453 176.453 176.117 -0.195 0.000 1.002 123 I CA -0.389 60.804 61.300 -0.178 0.000 1.135 123 I CB 1.761 39.681 38.000 -0.133 0.000 1.288 123 I HN 0.680 nan 8.210 nan 0.000 0.448 124 G N 3.531 112.246 108.800 -0.140 0.000 2.478 124 G HA2 0.603 4.562 3.960 -0.002 0.000 0.317 124 G HA3 0.603 4.562 3.960 -0.002 0.000 0.317 124 G C -0.951 173.818 174.900 -0.217 0.000 1.259 124 G CA -0.267 44.783 45.100 -0.083 0.000 0.933 124 G HN 0.525 nan 8.290 nan 0.000 0.478 125 S N 0.416 116.018 115.700 -0.162 0.000 2.705 125 S HA 0.447 4.916 4.470 -0.002 0.000 0.280 125 S C -0.279 174.295 174.600 -0.043 0.000 1.174 125 S CA -0.632 57.450 58.200 -0.196 0.000 0.823 125 S CB 1.769 64.883 63.200 -0.144 0.000 1.162 125 S HN 0.397 nan 8.310 nan 0.000 0.487 126 D N 0.647 121.060 120.400 0.022 0.000 2.346 126 D HA 0.191 4.829 4.640 -0.002 0.000 0.206 126 D C -0.190 176.169 176.300 0.099 0.000 1.001 126 D CA 0.758 54.800 54.000 0.070 0.000 0.871 126 D CB 0.461 41.304 40.800 0.072 0.000 0.943 126 D HN 0.450 nan 8.370 nan 0.000 0.518 127 Q N 0.178 120.073 119.800 0.158 0.000 2.372 127 Q HA 0.175 4.514 4.340 -0.002 0.000 0.273 127 Q C -0.176 175.825 176.000 0.002 0.000 1.078 127 Q CA -0.668 55.149 55.803 0.023 0.000 0.806 127 Q CB 2.416 31.055 28.738 -0.164 0.000 1.332 127 Q HN -0.236 nan 8.270 nan 0.000 0.435 128 D N 1.491 121.875 120.400 -0.026 0.000 2.149 128 D HA -0.200 4.439 4.640 -0.002 0.000 0.198 128 D C 1.366 177.648 176.300 -0.030 0.000 0.990 128 D CA 1.589 55.584 54.000 -0.008 0.000 0.839 128 D CB 0.085 40.884 40.800 -0.002 0.000 0.948 128 D HN 0.727 nan 8.370 nan 0.000 0.460 129 D N 0.334 120.656 120.400 -0.130 0.000 2.178 129 D HA -0.206 4.433 4.640 -0.002 0.000 0.201 129 D C 1.873 178.138 176.300 -0.059 0.000 0.980 129 D CA 0.672 54.582 54.000 -0.150 0.000 0.842 129 D CB -0.733 39.906 40.800 -0.268 0.000 0.948 129 D HN 0.168 nan 8.370 nan 0.000 0.472 130 F N 0.362 120.335 119.950 0.039 0.000 2.259 130 F HA 0.039 4.565 4.527 -0.002 0.000 0.298 130 F C 2.312 178.186 175.800 0.123 0.000 1.088 130 F CA 0.067 58.123 58.000 0.094 0.000 1.358 130 F CB -0.632 38.379 39.000 0.019 0.000 1.040 130 F HN -0.041 nan 8.300 nan 0.000 0.505 131 L N 0.218 121.562 121.223 0.202 0.000 2.046 131 L HA -0.209 4.130 4.340 -0.002 0.000 0.208 131 L C 2.011 178.957 176.870 0.128 0.000 1.077 131 L CA 1.775 56.682 54.840 0.112 0.000 0.747 131 L CB -1.072 41.015 42.059 0.047 0.000 0.896 131 L HN 0.039 nan 8.230 nan 0.000 0.432 132 D N -1.440 119.019 120.400 0.098 0.000 2.178 132 D HA -0.209 4.430 4.640 -0.002 0.000 0.202 132 D C 2.063 178.416 176.300 0.089 0.000 0.974 132 D CA 0.769 54.809 54.000 0.068 0.000 0.841 132 D CB 0.037 40.856 40.800 0.032 0.000 0.953 132 D HN 0.462 nan 8.370 nan 0.000 0.478 133 Q N -0.431 119.461 119.800 0.154 0.000 1.993 133 Q HA -0.153 4.186 4.340 -0.002 0.000 0.202 133 Q C 1.918 177.956 176.000 0.063 0.000 0.984 133 Q CA 1.225 57.098 55.803 0.115 0.000 0.837 133 Q CB -0.121 28.739 28.738 0.204 0.000 0.902 133 Q HN 0.161 nan 8.270 nan 0.000 0.423 134 F N 0.246 120.208 119.950 0.019 0.000 2.293 134 F HA -0.125 4.401 4.527 -0.002 0.000 0.300 134 F C 2.442 178.215 175.800 -0.044 0.000 1.086 134 F CA 1.356 59.353 58.000 -0.005 0.000 1.375 134 F CB -0.556 38.437 39.000 -0.011 0.000 1.045 134 F HN 0.114 nan 8.300 nan 0.000 0.516 135 T N -0.553 114.068 114.554 0.112 0.000 2.708 135 T HA -0.182 4.167 4.350 -0.002 0.000 0.266 135 T C 1.497 176.167 174.700 -0.049 0.000 1.037 135 T CA 1.726 63.820 62.100 -0.010 0.000 1.146 135 T CB -0.344 68.522 68.868 -0.004 0.000 0.865 135 T HN 0.146 nan 8.240 nan 0.000 0.435 136 D N 0.939 121.325 120.400 -0.023 0.000 2.117 136 D HA -0.101 4.538 4.640 -0.002 0.000 0.197 136 D C 1.925 178.192 176.300 -0.055 0.000 0.987 136 D CA 1.122 55.099 54.000 -0.039 0.000 0.829 136 D CB -0.636 40.145 40.800 -0.031 0.000 0.961 136 D HN 0.391 nan 8.370 nan 0.000 0.460 137 D N 0.069 120.428 120.400 -0.069 0.000 2.158 137 D HA -0.131 4.508 4.640 -0.002 0.000 0.197 137 D C 2.121 178.417 176.300 -0.006 0.000 0.995 137 D CA 0.763 54.725 54.000 -0.064 0.000 0.846 137 D CB -0.081 40.635 40.800 -0.139 0.000 0.941 137 D HN 0.161 nan 8.370 nan 0.000 0.456 138 I N -0.016 120.510 120.570 -0.072 0.000 2.113 138 I HA -0.188 3.980 4.170 -0.002 0.000 0.238 138 I C 1.051 177.118 176.117 -0.084 0.000 1.070 138 I CA 1.004 62.160 61.300 -0.240 0.000 1.332 138 I CB -0.350 37.251 38.000 -0.664 0.000 1.044 138 I HN 0.070 nan 8.210 nan 0.000 0.402 139 S N -0.692 114.946 115.700 -0.103 0.000 3.869 139 S HA 0.351 4.820 4.470 -0.002 0.000 0.241 139 S C 0.306 174.899 174.600 -0.013 0.000 1.363 139 S CA -0.112 58.066 58.200 -0.037 0.000 0.894 139 S CB 1.116 64.287 63.200 -0.047 0.000 1.519 139 S HN 0.340 nan 8.310 nan 0.000 0.470 140 S N 1.476 117.179 115.700 0.005 0.000 3.556 140 S HA -0.018 4.451 4.470 -0.002 0.000 0.136 140 S C 1.448 176.019 174.600 -0.048 0.000 0.816 140 S CA 0.460 58.647 58.200 -0.022 0.000 1.420 140 S CB -0.820 62.358 63.200 -0.037 0.000 1.235 140 S HN 0.574 nan 8.310 nan 0.000 0.338 141 T N 1.098 115.609 114.554 -0.072 0.000 2.904 141 T HA 0.172 4.521 4.350 -0.002 0.000 0.267 141 T C 0.950 175.422 174.700 -0.380 0.000 1.059 141 T CA 1.363 63.327 62.100 -0.226 0.000 1.137 141 T CB -0.250 68.465 68.868 -0.255 0.000 0.879 141 T HN 0.401 nan 8.240 nan 0.000 0.467 142 F N 0.456 120.340 119.950 -0.111 0.000 2.678 142 F HA 0.383 4.909 4.527 -0.002 0.000 0.291 142 F C 1.985 177.773 175.800 -0.021 0.000 1.123 142 F CA 0.004 57.964 58.000 -0.067 0.000 1.395 142 F CB -0.464 38.486 39.000 -0.083 0.000 1.121 142 F HN 0.285 nan 8.300 nan 0.000 0.592 143 G N 1.165 110.038 108.800 0.121 0.000 2.614 143 G HA2 -0.411 3.548 3.960 -0.002 0.000 0.303 143 G HA3 -0.411 3.548 3.960 -0.002 0.000 0.303 143 G C 1.040 175.999 174.900 0.097 0.000 1.270 143 G CA 0.745 45.890 45.100 0.075 0.000 0.988 143 G HN 0.569 nan 8.290 nan 0.000 0.551 144 S N 0.016 115.766 115.700 0.084 0.000 2.710 144 S HA 0.349 4.818 4.470 -0.002 0.000 0.224 144 S C 1.953 176.623 174.600 0.118 0.000 0.948 144 S CA 1.094 59.345 58.200 0.086 0.000 0.949 144 S CB 0.068 63.305 63.200 0.061 0.000 0.778 144 S HN 1.888 nan 8.310 nan 0.000 0.498 145 S N 1.553 117.355 115.700 0.171 0.000 2.522 145 S HA 0.234 4.703 4.470 -0.002 0.000 0.227 145 S C 0.713 175.448 174.600 0.226 0.000 0.986 145 S CA -0.089 58.243 58.200 0.221 0.000 0.929 145 S CB -0.870 62.521 63.200 0.318 0.000 0.769 145 S HN 0.874 nan 8.310 nan 0.000 0.529 146 I N -3.001 117.680 120.570 0.185 0.000 3.191 146 I HA 0.705 4.874 4.170 -0.002 0.000 0.313 146 I C -1.629 174.557 176.117 0.116 0.000 1.193 146 I CA -0.972 60.416 61.300 0.147 0.000 0.968 146 I CB 2.143 40.166 38.000 0.038 0.000 1.262 146 I HN -0.222 nan 8.210 nan 0.000 0.456 147 T N 2.188 116.826 114.554 0.139 0.000 2.949 147 T HA 0.315 4.664 4.350 -0.002 0.000 0.300 147 T C -0.839 173.938 174.700 0.128 0.000 0.988 147 T CA -0.410 61.748 62.100 0.098 0.000 0.993 147 T CB 1.364 70.271 68.868 0.066 0.000 0.984 147 T HN 0.596 nan 8.240 nan 0.000 0.442 148 Q N 2.004 121.865 119.800 0.101 0.000 2.262 148 Q HA 0.190 4.529 4.340 -0.002 0.000 0.272 148 Q C 1.478 177.528 176.000 0.084 0.000 1.076 148 Q CA -0.347 55.531 55.803 0.124 0.000 0.905 148 Q CB 0.792 29.570 28.738 0.067 0.000 1.182 148 Q HN 0.673 nan 8.270 nan 0.000 0.390 149 V N -0.074 119.887 119.914 0.079 0.000 3.506 149 V HA 0.113 4.232 4.120 -0.002 0.000 0.263 149 V C 0.073 176.174 176.094 0.011 0.000 1.203 149 V CA 0.446 62.751 62.300 0.009 0.000 1.133 149 V CB 0.219 31.999 31.823 -0.072 0.000 0.802 149 V HN 0.746 nan 8.190 nan 0.000 0.459 150 Q N -0.202 119.653 119.800 0.092 0.000 2.617 150 Q HA 0.690 5.028 4.340 -0.002 0.000 0.270 150 Q C -1.669 174.496 176.000 0.276 0.000 0.967 150 Q CA 0.366 56.248 55.803 0.132 0.000 0.887 150 Q CB 1.545 30.304 28.738 0.034 0.000 1.516 150 Q HN 0.670 nan 8.270 nan 0.000 0.395 151 A N 3.899 126.844 122.820 0.209 0.000 2.353 151 A HA 0.775 5.093 4.320 -0.002 0.000 0.299 151 A C -1.556 176.134 177.584 0.177 0.000 1.089 151 A CA -0.548 51.601 52.037 0.187 0.000 0.736 151 A CB 0.828 19.881 19.000 0.089 0.000 1.195 151 A HN 0.581 nan 8.150 nan 0.000 0.447 152 L N 2.154 123.523 121.223 0.243 0.000 2.296 152 L HA 0.571 4.910 4.340 -0.002 0.000 0.286 152 L C 0.057 177.037 176.870 0.183 0.000 1.023 152 L CA -0.345 54.570 54.840 0.125 0.000 0.812 152 L CB 1.890 43.993 42.059 0.074 0.000 1.223 152 L HN 0.652 nan 8.230 nan 0.000 0.421 153 S N 1.073 116.834 115.700 0.101 0.000 2.532 153 S HA 0.864 5.333 4.470 -0.002 0.000 0.301 153 S C 0.022 174.736 174.600 0.189 0.000 1.083 153 S CA -0.610 57.680 58.200 0.150 0.000 1.025 153 S CB 2.188 65.449 63.200 0.102 0.000 1.056 153 S HN 0.787 nan 8.310 nan 0.000 0.494 154 G N 0.697 109.640 108.800 0.239 0.000 2.680 154 G HA2 0.758 4.717 3.960 -0.002 0.000 0.290 154 G HA3 0.758 4.717 3.960 -0.002 0.000 0.290 154 G C -1.252 173.778 174.900 0.216 0.000 1.355 154 G CA -0.752 44.522 45.100 0.291 0.000 0.903 154 G HN 0.975 nan 8.290 nan 0.000 0.474 155 S N -1.392 114.434 115.700 0.210 0.000 2.547 155 S HA 0.753 5.222 4.470 -0.002 0.000 0.270 155 S C -0.192 174.482 174.600 0.123 0.000 1.150 155 S CA -0.139 58.148 58.200 0.146 0.000 0.850 155 S CB 1.290 64.563 63.200 0.122 0.000 1.118 155 S HN 2.068 nan 8.310 nan 0.000 0.461 156 A N 2.233 125.108 122.820 0.092 0.000 2.498 156 A HA 0.471 4.790 4.320 -0.002 0.000 0.239 156 A C 0.647 178.250 177.584 0.032 0.000 1.068 156 A CA -0.235 51.839 52.037 0.062 0.000 0.766 156 A CB -0.123 18.916 19.000 0.065 0.000 1.003 156 A HN 0.806 nan 8.150 nan 0.000 0.497 157 R N 1.856 122.344 120.500 -0.020 0.000 2.594 157 R HA 0.252 4.591 4.340 -0.002 0.000 0.272 157 R C -2.382 173.910 176.300 -0.013 0.000 1.074 157 R CA -1.246 54.821 56.100 -0.054 0.000 1.105 157 R CB -0.144 30.059 30.300 -0.161 0.000 1.008 157 R HN 0.477 nan 8.270 nan 0.000 0.472 158 P HA -0.109 nan 4.420 nan 0.000 0.267 158 P C 0.646 177.937 177.300 -0.015 0.000 1.201 158 P CA 0.678 63.778 63.100 -0.000 0.000 0.775 158 P CB 0.439 32.142 31.700 0.005 0.000 0.854 159 G N 3.364 112.160 108.800 -0.005 0.000 2.660 159 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.338 159 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.338 159 G C 0.829 175.718 174.900 -0.020 0.000 1.336 159 G CA 1.258 46.352 45.100 -0.011 0.000 0.990 159 G HN 0.658 nan 8.290 nan 0.000 0.537 160 D N -0.473 119.902 120.400 -0.042 0.000 2.354 160 D HA -0.018 4.620 4.640 -0.002 0.000 0.216 160 D C 1.958 178.181 176.300 -0.128 0.000 0.970 160 D CA 1.736 55.701 54.000 -0.058 0.000 0.905 160 D CB -0.023 40.733 40.800 -0.072 0.000 0.903 160 D HN 0.358 nan 8.370 nan 0.000 0.508 161 Q N 0.137 119.845 119.800 -0.153 0.000 2.432 161 Q HA 0.232 4.571 4.340 -0.002 0.000 0.205 161 Q C 0.507 176.525 176.000 0.031 0.000 0.945 161 Q CA 0.442 56.100 55.803 -0.243 0.000 0.924 161 Q CB -0.070 28.548 28.738 -0.200 0.000 1.016 161 Q HN 0.473 nan 8.270 nan 0.000 0.503 162 A N 0.341 123.195 122.820 0.058 0.000 2.561 162 A HA 0.331 4.650 4.320 -0.002 0.000 0.251 162 A C 1.267 178.951 177.584 0.167 0.000 1.062 162 A CA 1.145 53.237 52.037 0.091 0.000 0.761 162 A CB -0.479 18.561 19.000 0.066 0.000 0.986 162 A HN 0.502 nan 8.150 nan 0.000 0.510 163 G N 2.099 110.975 108.800 0.127 0.000 2.213 163 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.226 163 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.226 163 G C 0.092 175.006 174.900 0.024 0.000 0.992 163 G CA 0.405 45.554 45.100 0.081 0.000 0.632 163 G HN 1.085 nan 8.290 nan 0.000 0.511 164 H N 1.699 120.755 119.070 -0.023 0.000 2.487 164 H HA 0.571 5.126 4.556 -0.002 0.000 0.333 164 H C 0.645 175.922 175.328 -0.084 0.000 1.114 164 H CA 0.145 56.170 56.048 -0.037 0.000 1.310 164 H CB 1.159 30.885 29.762 -0.060 0.000 1.462 164 H HN 0.647 nan 8.280 nan 0.000 0.516 165 E N 0.918 121.139 120.200 0.036 0.000 2.385 165 E HA 0.076 4.424 4.350 -0.002 0.000 0.254 165 E C 0.438 176.965 176.600 -0.122 0.000 1.228 165 E CA -0.330 56.038 56.400 -0.053 0.000 0.956 165 E CB 0.362 30.051 29.700 -0.019 0.000 1.116 165 E HN 0.577 nan 8.360 nan 0.000 0.507 166 H N -0.608 118.374 119.070 -0.147 0.000 2.521 166 H HA -0.031 4.523 4.556 -0.002 0.000 0.286 166 H C 0.706 175.987 175.328 -0.078 0.000 1.034 166 H CA 0.880 56.831 56.048 -0.160 0.000 1.278 166 H CB 0.010 29.616 29.762 -0.260 0.000 1.386 166 H HN 0.409 nan 8.280 nan 0.000 0.567 167 F N -0.065 119.916 119.950 0.052 0.000 2.748 167 F HA 0.157 4.683 4.527 -0.002 0.000 0.299 167 F C 1.989 177.861 175.800 0.120 0.000 1.154 167 F CA 0.797 58.793 58.000 -0.006 0.000 1.446 167 F CB -0.050 38.788 39.000 -0.271 0.000 1.112 167 F HN 0.270 nan 8.300 nan 0.000 0.584 168 G N -0.792 108.142 108.800 0.223 0.000 2.179 168 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.220 168 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.220 168 G C 0.200 175.134 174.900 0.056 0.000 0.990 168 G CA -0.591 44.551 45.100 0.070 0.000 0.646 168 G HN 0.193 nan 8.290 nan 0.000 0.517 169 F N 0.554 120.494 119.950 -0.017 0.000 2.396 169 F HA 0.617 5.143 4.527 -0.002 0.000 0.343 169 F C 0.832 176.495 175.800 -0.228 0.000 1.104 169 F CA -1.074 56.839 58.000 -0.144 0.000 1.161 169 F CB 1.238 39.898 39.000 -0.567 0.000 1.146 169 F HN 0.081 nan 8.300 nan 0.000 0.522 170 L N 3.910 124.946 121.223 -0.311 0.000 2.513 170 L HA 0.090 4.428 4.340 -0.002 0.000 0.272 170 L C -0.327 176.446 176.870 -0.161 0.000 1.187 170 L CA 0.562 55.047 54.840 -0.591 0.000 0.895 170 L CB -0.204 41.547 42.059 -0.513 0.000 1.147 170 L HN 0.512 nan 8.230 nan 0.000 0.483 171 D N 3.137 123.478 120.400 -0.099 0.000 2.269 171 D HA 0.633 5.272 4.640 -0.002 0.000 0.244 171 D C 0.584 176.918 176.300 0.057 0.000 0.992 171 D CA 0.459 54.478 54.000 0.032 0.000 0.894 171 D CB 1.791 42.636 40.800 0.076 0.000 1.248 171 D HN 0.778 nan 8.370 nan 0.000 0.468 172 G N 1.834 110.701 108.800 0.111 0.000 2.130 172 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.216 172 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.216 172 G C 1.109 176.072 174.900 0.105 0.000 0.999 172 G CA 0.394 45.565 45.100 0.118 0.000 0.686 172 G HN 0.493 nan 8.290 nan 0.000 0.515 173 I N 0.247 120.879 120.570 0.103 0.000 2.206 173 I HA 0.076 4.245 4.170 -0.002 0.000 0.239 173 I C 1.783 177.965 176.117 0.109 0.000 1.078 173 I CA 1.418 62.765 61.300 0.078 0.000 1.367 173 I CB -0.172 37.880 38.000 0.086 0.000 1.078 173 I HN 0.298 nan 8.210 nan 0.000 0.413 174 S N 1.706 117.503 115.700 0.161 0.000 2.422 174 S HA 0.284 4.753 4.470 -0.002 0.000 0.298 174 S C -0.555 174.167 174.600 0.203 0.000 1.118 174 S CA -0.557 57.749 58.200 0.177 0.000 1.083 174 S CB 0.169 63.485 63.200 0.193 0.000 0.971 174 S HN 0.106 nan 8.310 nan 0.000 0.478 175 Q N 4.542 124.463 119.800 0.203 0.000 2.315 175 Q HA 0.431 4.770 4.340 -0.002 0.000 0.273 175 Q C -2.716 173.397 176.000 0.188 0.000 1.053 175 Q CA -2.162 53.769 55.803 0.212 0.000 0.817 175 Q CB 2.082 30.944 28.738 0.207 0.000 1.326 175 Q HN 0.487 nan 8.270 nan 0.000 0.423 176 P HA 0.006 nan 4.420 nan 0.000 0.269 176 P C -0.425 176.940 177.300 0.108 0.000 1.215 176 P CA 0.004 63.164 63.100 0.101 0.000 0.780 176 P CB 0.876 32.646 31.700 0.116 0.000 0.898 177 S N 1.192 116.924 115.700 0.053 0.000 2.449 177 S HA 0.478 4.947 4.470 -0.002 0.000 0.310 177 S C -0.309 174.352 174.600 0.101 0.000 1.096 177 S CA -0.729 57.518 58.200 0.078 0.000 1.095 177 S CB 0.142 63.333 63.200 -0.015 0.000 1.007 177 S HN 0.334 nan 8.310 nan 0.000 0.474 178 V N 3.101 123.162 119.914 0.246 0.000 2.547 178 V HA 0.805 4.924 4.120 -0.002 0.000 0.299 178 V C 0.413 176.675 176.094 0.280 0.000 1.040 178 V CA -0.675 61.759 62.300 0.223 0.000 0.913 178 V CB 0.900 32.835 31.823 0.187 0.000 0.992 178 V HN 0.920 nan 8.190 nan 0.000 0.449 179 T N 0.564 115.211 114.554 0.154 0.000 2.899 179 T HA 0.639 4.987 4.350 -0.002 0.000 0.295 179 T C 1.086 175.908 174.700 0.203 0.000 1.033 179 T CA 0.346 62.525 62.100 0.131 0.000 1.084 179 T CB 0.979 69.880 68.868 0.055 0.000 0.979 179 T HN 2.476 nan 8.240 nan 0.000 0.532 180 G N 0.803 109.728 108.800 0.208 0.000 2.227 180 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.168 180 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.168 180 G C -0.316 174.774 174.900 0.316 0.000 1.006 180 G CA -0.163 45.054 45.100 0.195 0.000 0.684 180 G HN 1.346 nan 8.290 nan 0.000 0.489 181 W N 0.935 122.210 121.300 -0.041 0.000 3.571 181 W HA 0.645 5.304 4.660 -0.002 0.000 0.294 181 W C -0.266 176.224 176.519 -0.048 0.000 1.257 181 W CA -1.619 55.700 57.345 -0.044 0.000 1.206 181 W CB 0.045 29.476 29.460 -0.048 0.000 1.325 181 W HN 0.290 nan 8.180 nan 0.000 0.546 182 E N 2.668 122.832 120.200 -0.059 0.000 2.614 182 E HA 0.262 4.611 4.350 -0.002 0.000 0.245 182 E C -0.851 175.457 176.600 -0.486 0.000 1.039 182 E CA 0.685 56.958 56.400 -0.212 0.000 0.948 182 E CB 0.595 30.237 29.700 -0.096 0.000 0.937 182 E HN 0.471 nan 8.360 nan 0.000 0.498 183 T N 2.053 116.248 114.554 -0.599 0.000 2.942 183 T HA 0.307 4.655 4.350 -0.002 0.000 0.327 183 T C -0.973 173.421 174.700 -0.510 0.000 1.360 183 T CA -0.173 61.482 62.100 -0.742 0.000 1.055 183 T CB 1.264 69.283 68.868 -1.416 0.000 1.261 183 T HN 0.585 nan 8.240 nan 0.000 0.485 184 T N 1.306 115.581 114.554 -0.465 0.000 2.884 184 T HA 0.593 4.942 4.350 -0.002 0.000 0.298 184 T C -0.174 174.200 174.700 -0.543 0.000 0.998 184 T CA -0.450 61.383 62.100 -0.444 0.000 1.124 184 T CB 0.483 69.078 68.868 -0.456 0.000 0.931 184 T HN 0.410 nan 8.240 nan 0.000 0.531 185 V N 4.849 124.511 119.914 -0.420 0.000 2.384 185 V HA 0.407 4.526 4.120 -0.002 0.000 0.287 185 V C -0.318 175.605 176.094 -0.285 0.000 1.020 185 V CA -0.920 61.178 62.300 -0.337 0.000 0.850 185 V CB 0.425 32.139 31.823 -0.183 0.000 0.987 185 V HN 0.826 nan 8.190 nan 0.000 0.436 186 F N 6.655 126.581 119.950 -0.039 0.000 2.429 186 F HA 0.370 4.896 4.527 -0.002 0.000 0.348 186 F C -1.589 174.196 175.800 -0.026 0.000 1.109 186 F CA -2.579 55.408 58.000 -0.022 0.000 1.232 186 F CB 0.286 39.283 39.000 -0.004 0.000 1.157 186 F HN 0.306 nan 8.300 nan 0.000 0.564 187 P HA 0.144 nan 4.420 nan 0.000 0.266 187 P C 0.649 177.981 177.300 0.053 0.000 1.215 187 P CA 0.774 63.925 63.100 0.085 0.000 0.763 187 P CB 0.731 32.476 31.700 0.075 0.000 0.806 188 G N 2.266 111.066 108.800 -0.000 0.000 2.218 188 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.216 188 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.216 188 G C 0.156 175.013 174.900 -0.072 0.000 0.994 188 G CA -0.110 44.940 45.100 -0.084 0.000 0.637 188 G HN 0.686 nan 8.290 nan 0.000 0.505 189 Q N 1.154 120.962 119.800 0.014 0.000 2.304 189 Q HA 0.646 4.985 4.340 -0.002 0.000 0.260 189 Q C 0.672 176.661 176.000 -0.019 0.000 0.965 189 Q CA 0.222 56.047 55.803 0.037 0.000 0.898 189 Q CB 0.822 29.632 28.738 0.120 0.000 1.196 189 Q HN 0.986 nan 8.270 nan 0.000 0.402 190 A N 3.583 126.372 122.820 -0.050 0.000 2.462 190 A HA 0.370 4.688 4.320 -0.002 0.000 0.243 190 A C -0.677 176.814 177.584 -0.155 0.000 1.076 190 A CA -0.412 51.523 52.037 -0.172 0.000 0.773 190 A CB 0.699 19.395 19.000 -0.507 0.000 1.010 190 A HN 0.585 nan 8.150 nan 0.000 0.493 191 V N 4.258 124.092 119.914 -0.134 0.000 2.350 191 V HA 0.476 4.594 4.120 -0.002 0.000 0.285 191 V C -0.003 176.043 176.094 -0.079 0.000 1.014 191 V CA -0.237 62.014 62.300 -0.081 0.000 0.831 191 V CB 0.971 32.761 31.823 -0.054 0.000 1.000 191 V HN 0.989 nan 8.190 nan 0.000 0.433 192 V N 3.859 123.739 119.914 -0.057 0.000 3.046 192 V HA 0.795 4.914 4.120 -0.002 0.000 0.316 192 V C -2.841 173.259 176.094 0.010 0.000 1.104 192 V CA -3.091 59.191 62.300 -0.030 0.000 1.006 192 V CB 2.135 33.938 31.823 -0.034 0.000 1.058 192 V HN 0.579 nan 8.190 nan 0.000 0.440 193 P HA 0.237 nan 4.420 nan 0.000 0.269 193 P C -2.071 175.242 177.300 0.021 0.000 1.209 193 P CA -1.194 61.915 63.100 0.014 0.000 0.776 193 P CB 0.151 31.852 31.700 0.002 0.000 0.876 194 P HA -0.156 nan 4.420 nan 0.000 0.221 194 P C 1.350 178.648 177.300 -0.004 0.000 1.145 194 P CA 1.596 64.699 63.100 0.006 0.000 0.795 194 P CB -0.421 31.274 31.700 -0.008 0.000 0.775 195 G N -0.112 108.687 108.800 -0.002 0.000 2.509 195 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.218 195 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.218 195 G C 1.346 176.252 174.900 0.009 0.000 1.124 195 G CA 0.110 45.209 45.100 -0.002 0.000 0.776 195 G HN 0.179 nan 8.290 nan 0.000 0.547 196 I N 0.770 121.349 120.570 0.016 0.000 2.439 196 I HA -0.006 4.162 4.170 -0.002 0.000 0.251 196 I C 2.171 178.328 176.117 0.066 0.000 1.139 196 I CA 0.609 61.927 61.300 0.030 0.000 1.438 196 I CB 0.064 38.092 38.000 0.046 0.000 1.085 196 I HN 0.121 nan 8.210 nan 0.000 0.427 197 I N -0.983 119.621 120.570 0.057 0.000 3.194 197 I HA 0.114 4.282 4.170 -0.002 0.000 0.271 197 I C 0.817 176.951 176.117 0.027 0.000 1.150 197 I CA 0.510 61.850 61.300 0.067 0.000 1.440 197 I CB -0.518 37.510 38.000 0.046 0.000 1.276 197 I HN -0.115 nan 8.210 nan 0.000 0.457 198 L N 2.835 124.047 121.223 -0.017 0.000 2.264 198 L HA 0.241 4.580 4.340 -0.002 0.000 0.289 198 L C 0.407 177.269 176.870 -0.014 0.000 1.044 198 L CA -0.425 54.385 54.840 -0.050 0.000 0.807 198 L CB 1.090 43.095 42.059 -0.091 0.000 1.192 198 L HN 0.210 nan 8.230 nan 0.000 0.425 199 T N -0.495 114.061 114.554 0.004 0.000 2.932 199 T HA 0.335 4.684 4.350 -0.002 0.000 0.312 199 T C 1.292 175.986 174.700 -0.010 0.000 1.071 199 T CA 0.161 62.280 62.100 0.032 0.000 1.128 199 T CB 1.354 70.269 68.868 0.077 0.000 0.984 199 T HN 0.965 nan 8.240 nan 0.000 0.549 200 G N 1.836 110.626 108.800 -0.017 0.000 2.284 200 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.247 200 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.247 200 G C 0.546 175.431 174.900 -0.024 0.000 1.012 200 G CA -0.022 45.059 45.100 -0.031 0.000 0.618 200 G HN 0.816 nan 8.290 nan 0.000 0.521 201 R N 1.090 121.577 120.500 -0.021 0.000 2.652 201 R HA 0.320 4.659 4.340 -0.002 0.000 0.272 201 R C -0.004 176.287 176.300 -0.014 0.000 1.162 201 R CA -0.762 55.326 56.100 -0.020 0.000 1.199 201 R CB -0.163 30.121 30.300 -0.026 0.000 1.166 201 R HN 0.280 nan 8.270 nan 0.000 0.597 202 D N 0.090 120.484 120.400 -0.011 0.000 2.382 202 D HA 0.140 4.778 4.640 -0.002 0.000 0.259 202 D C 0.867 177.161 176.300 -0.009 0.000 1.224 202 D CA 1.373 55.368 54.000 -0.008 0.000 0.894 202 D CB 0.598 41.396 40.800 -0.004 0.000 1.127 202 D HN 0.682 nan 8.370 nan 0.000 0.487 203 G N 3.689 112.480 108.800 -0.015 0.000 2.284 203 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.201 203 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.201 203 G C 0.269 175.152 174.900 -0.028 0.000 0.998 203 G CA -0.134 44.953 45.100 -0.022 0.000 0.651 203 G HN 0.585 nan 8.290 nan 0.000 0.489 204 D N 1.909 122.299 120.400 -0.018 0.000 2.338 204 D HA 0.450 5.089 4.640 -0.002 0.000 0.255 204 D C 1.859 178.146 176.300 -0.023 0.000 1.237 204 D CA 0.784 54.776 54.000 -0.014 0.000 0.883 204 D CB 1.057 41.857 40.800 0.001 0.000 1.087 204 D HN 0.311 nan 8.370 nan 0.000 0.485 205 T N 0.534 115.068 114.554 -0.034 0.000 3.113 205 T HA 0.200 4.549 4.350 -0.002 0.000 0.256 205 T C 1.119 175.801 174.700 -0.030 0.000 1.131 205 T CA -0.033 62.046 62.100 -0.035 0.000 1.074 205 T CB -0.092 68.747 68.868 -0.049 0.000 0.944 205 T HN 0.287 nan 8.240 nan 0.000 0.516 206 G N 0.679 109.465 108.800 -0.024 0.000 2.572 206 G HA2 0.455 4.414 3.960 -0.002 0.000 0.261 206 G HA3 0.455 4.414 3.960 -0.002 0.000 0.261 206 G C -0.667 174.217 174.900 -0.028 0.000 1.197 206 G CA -0.558 44.527 45.100 -0.025 0.000 0.870 206 G HN 0.277 nan 8.290 nan 0.000 0.548 207 T N 2.523 117.056 114.554 -0.034 0.000 2.753 207 T HA 0.417 4.766 4.350 -0.002 0.000 0.297 207 T C 0.051 174.711 174.700 -0.065 0.000 0.981 207 T CA -0.467 61.608 62.100 -0.041 0.000 0.956 207 T CB 0.480 69.328 68.868 -0.032 0.000 0.936 207 T HN 0.369 nan 8.240 nan 0.000 0.463 208 R N 3.519 123.967 120.500 -0.086 0.000 2.664 208 R HA 0.553 4.891 4.340 -0.002 0.000 0.286 208 R C -2.573 173.615 176.300 -0.186 0.000 0.967 208 R CA -2.630 53.376 56.100 -0.158 0.000 0.933 208 R CB 0.103 30.304 30.300 -0.166 0.000 1.146 208 R HN 0.388 nan 8.270 nan 0.000 0.468 209 P HA 0.078 nan 4.420 nan 0.000 0.274 209 P C 0.370 177.517 177.300 -0.255 0.000 1.237 209 P CA -0.290 62.663 63.100 -0.246 0.000 0.793 209 P CB 0.582 32.082 31.700 -0.333 0.000 0.977 210 S N 0.641 116.294 115.700 -0.078 0.000 2.419 210 S HA -0.142 4.327 4.470 -0.002 0.000 0.235 210 S C 1.700 176.320 174.600 0.034 0.000 1.019 210 S CA 0.733 58.924 58.200 -0.016 0.000 0.982 210 S CB -1.052 62.177 63.200 0.048 0.000 0.789 210 S HN 0.772 nan 8.310 nan 0.000 0.490 211 W N 1.835 123.147 121.300 0.020 0.000 2.699 211 W HA 0.407 5.066 4.660 -0.002 0.000 0.249 211 W C 1.576 178.138 176.519 0.070 0.000 1.280 211 W CA 0.209 57.576 57.345 0.036 0.000 1.345 211 W CB -0.555 28.926 29.460 0.035 0.000 1.128 211 W HN 0.352 nan 8.180 nan 0.000 0.642 212 A N 1.608 124.120 122.820 -0.512 0.000 2.235 212 A HA 0.115 4.434 4.320 -0.002 0.000 0.208 212 A C 0.929 178.482 177.584 -0.052 0.000 1.172 212 A CA -0.094 51.694 52.037 -0.414 0.000 0.786 212 A CB -0.726 17.826 19.000 -0.747 0.000 0.804 212 A HN 0.227 nan 8.150 nan 0.000 0.479 213 L N 0.384 121.587 121.223 -0.033 0.000 2.525 213 L HA 0.076 4.415 4.340 -0.002 0.000 0.278 213 L C -0.098 176.765 176.870 -0.011 0.000 1.218 213 L CA 1.097 55.928 54.840 -0.015 0.000 0.878 213 L CB -0.289 41.769 42.059 -0.002 0.000 1.127 213 L HN 0.459 nan 8.230 nan 0.000 0.492 214 D N 2.334 122.707 120.400 -0.045 0.000 2.945 214 D HA -0.169 4.470 4.640 -0.002 0.000 0.225 214 D C 0.358 176.573 176.300 -0.142 0.000 1.158 214 D CA 1.139 55.086 54.000 -0.089 0.000 0.805 214 D CB -1.389 39.361 40.800 -0.084 0.000 1.098 214 D HN 0.870 nan 8.370 nan 0.000 0.426 215 G N -1.018 107.697 108.800 -0.142 0.000 2.583 215 G HA2 0.653 4.611 3.960 -0.002 0.000 0.280 215 G HA3 0.653 4.611 3.960 -0.002 0.000 0.280 215 G C -0.481 174.181 174.900 -0.396 0.000 1.376 215 G CA 0.386 45.248 45.100 -0.398 0.000 1.043 215 G HN 0.371 nan 8.290 nan 0.000 0.538 216 S N -2.206 113.086 115.700 -0.679 0.000 2.608 216 S HA 0.468 4.937 4.470 -0.002 0.000 0.285 216 S C -1.931 172.478 174.600 -0.318 0.000 1.108 216 S CA -0.725 57.293 58.200 -0.303 0.000 0.858 216 S CB 0.446 63.557 63.200 -0.148 0.000 1.077 216 S HN 0.387 nan 8.310 nan 0.000 0.450 217 F N 3.618 123.684 119.950 0.193 0.000 2.404 217 F HA 0.545 5.071 4.527 -0.002 0.000 0.345 217 F C 0.659 176.630 175.800 0.285 0.000 1.110 217 F CA -0.419 57.729 58.000 0.248 0.000 1.130 217 F CB 1.555 40.663 39.000 0.179 0.000 1.129 217 F HN 0.495 nan 8.300 nan 0.000 0.500 218 M N 3.701 123.597 119.600 0.493 0.000 2.205 218 M HA 0.705 5.183 4.480 -0.002 0.000 0.344 218 M C -1.260 175.269 176.300 0.382 0.000 1.085 218 M CA -0.627 54.842 55.300 0.283 0.000 1.001 218 M CB 1.282 34.032 32.600 0.250 0.000 1.626 218 M HN 0.672 nan 8.290 nan 0.000 0.442 219 A N 5.316 128.251 122.820 0.193 0.000 2.249 219 A HA 0.573 4.892 4.320 -0.002 0.000 0.314 219 A C -1.470 176.152 177.584 0.063 0.000 1.290 219 A CA -0.489 51.642 52.037 0.157 0.000 0.893 219 A CB 0.176 19.064 19.000 -0.186 0.000 1.165 219 A HN 0.819 nan 8.150 nan 0.000 0.530 220 F N 4.216 124.161 119.950 -0.008 0.000 2.444 220 F HA 0.674 5.200 4.527 -0.002 0.000 0.342 220 F C -0.058 175.582 175.800 -0.266 0.000 1.121 220 F CA -0.656 57.310 58.000 -0.057 0.000 0.997 220 F CB 1.202 40.315 39.000 0.189 0.000 1.130 220 F HN 0.481 nan 8.300 nan 0.000 0.454 221 R N 4.800 124.609 120.500 -1.151 0.000 2.513 221 R HA 0.169 4.508 4.340 -0.002 0.000 0.301 221 R C -1.337 173.978 176.300 -1.641 0.000 0.968 221 R CA -0.719 54.575 56.100 -1.344 0.000 0.872 221 R CB 1.453 30.846 30.300 -1.511 0.000 1.177 221 R HN 0.862 nan 8.270 nan 0.000 0.444 222 H N 3.793 121.984 119.070 -1.466 0.000 2.690 222 H HA 0.309 4.864 4.556 -0.002 0.000 0.289 222 H C -0.952 173.991 175.328 -0.642 0.000 1.089 222 H CA -0.426 55.031 56.048 -0.985 0.000 1.299 222 H CB 0.298 29.560 29.762 -0.832 0.000 1.405 222 H HN 0.215 nan 8.280 nan 0.000 0.463 223 F N 3.067 122.958 119.950 -0.098 0.000 2.436 223 F HA 0.218 4.744 4.527 -0.002 0.000 0.340 223 F C 0.319 176.106 175.800 -0.023 0.000 1.113 223 F CA -0.742 57.175 58.000 -0.137 0.000 1.022 223 F CB 1.800 40.736 39.000 -0.108 0.000 1.128 223 F HN 0.564 nan 8.300 nan 0.000 0.466 224 Q N 3.051 122.900 119.800 0.081 0.000 2.307 224 Q HA 0.374 4.713 4.340 -0.002 0.000 0.262 224 Q C -1.186 174.803 176.000 -0.018 0.000 0.961 224 Q CA -0.673 55.151 55.803 0.034 0.000 0.882 224 Q CB 1.151 29.883 28.738 -0.010 0.000 1.264 224 Q HN 0.647 nan 8.270 nan 0.000 0.446 225 Q N 2.870 122.600 119.800 -0.117 0.000 2.271 225 Q HA 0.309 4.647 4.340 -0.002 0.000 0.258 225 Q C -0.989 175.038 176.000 0.044 0.000 0.936 225 Q CA -0.478 55.259 55.803 -0.110 0.000 0.909 225 Q CB 1.794 30.223 28.738 -0.516 0.000 1.253 225 Q HN 0.342 nan 8.270 nan 0.000 0.440 226 K N 2.405 122.970 120.400 0.276 0.000 2.229 226 K HA 0.131 4.449 4.320 -0.002 0.000 0.247 226 K C 0.573 177.406 176.600 0.388 0.000 1.117 226 K CA -0.159 56.305 56.287 0.295 0.000 1.036 226 K CB 0.559 33.276 32.500 0.361 0.000 1.654 226 K HN 0.411 nan 8.250 nan 0.000 0.405 227 V N 2.714 122.817 119.914 0.315 0.000 2.244 227 V HA -0.166 3.953 4.120 -0.002 0.000 0.244 227 V C -0.996 175.232 176.094 0.222 0.000 1.042 227 V CA 1.369 63.887 62.300 0.363 0.000 1.006 227 V CB -0.991 30.979 31.823 0.244 0.000 0.641 227 V HN 0.490 nan 8.190 nan 0.000 0.446 228 P HA -0.174 nan 4.420 nan 0.000 0.216 228 P C 1.529 178.877 177.300 0.082 0.000 1.157 228 P CA 1.536 64.699 63.100 0.105 0.000 0.880 228 P CB -0.020 31.734 31.700 0.090 0.000 0.791 229 E N -1.771 118.495 120.200 0.109 0.000 2.118 229 E HA -0.182 4.167 4.350 -0.002 0.000 0.195 229 E C 1.722 178.221 176.600 -0.168 0.000 0.992 229 E CA 0.934 57.408 56.400 0.124 0.000 0.804 229 E CB -1.069 28.842 29.700 0.351 0.000 0.741 229 E HN 0.229 nan 8.360 nan 0.000 0.458 230 F N 1.522 121.067 119.950 -0.675 0.000 2.075 230 F HA -0.215 4.311 4.527 -0.002 0.000 0.297 230 F C 1.561 177.086 175.800 -0.458 0.000 1.113 230 F CA 1.860 59.157 58.000 -1.172 0.000 1.218 230 F CB -0.391 37.942 39.000 -1.112 0.000 0.984 230 F HN -0.011 nan 8.300 nan 0.000 0.472 231 N N 0.266 118.881 118.700 -0.142 0.000 2.025 231 N HA -0.207 4.532 4.740 -0.002 0.000 0.194 231 N C 2.075 177.505 175.510 -0.133 0.000 1.044 231 N CA 1.351 54.335 53.050 -0.110 0.000 0.851 231 N CB -0.625 37.880 38.487 0.032 0.000 1.036 231 N HN 0.360 nan 8.380 nan 0.000 0.422 232 A N 0.732 123.519 122.820 -0.055 0.000 1.940 232 A HA -0.287 4.032 4.320 -0.002 0.000 0.221 232 A C 2.086 179.649 177.584 -0.034 0.000 1.190 232 A CA 1.739 53.765 52.037 -0.018 0.000 0.647 232 A CB -1.250 17.772 19.000 0.038 0.000 0.821 232 A HN 0.578 nan 8.150 nan 0.000 0.457 233 Y N 1.655 121.856 120.300 -0.166 0.000 2.224 233 Y HA -0.207 4.342 4.550 -0.002 0.000 0.289 233 Y C 2.841 178.629 175.900 -0.186 0.000 1.146 233 Y CA 2.457 60.482 58.100 -0.125 0.000 1.182 233 Y CB -0.500 37.927 38.460 -0.056 0.000 0.983 233 Y HN 0.469 nan 8.280 nan 0.000 0.524 234 T N -1.737 112.634 114.554 -0.304 0.000 2.951 234 T HA -0.118 4.231 4.350 -0.002 0.000 0.268 234 T C 1.911 176.473 174.700 -0.231 0.000 1.073 234 T CA 1.357 63.260 62.100 -0.328 0.000 1.134 234 T CB -0.692 67.970 68.868 -0.343 0.000 0.884 234 T HN 0.384 nan 8.240 nan 0.000 0.479 235 L N 0.982 122.101 121.223 -0.173 0.000 2.044 235 L HA 0.175 4.513 4.340 -0.002 0.000 0.205 235 L C 3.079 179.877 176.870 -0.120 0.000 1.075 235 L CA 1.112 55.889 54.840 -0.105 0.000 0.747 235 L CB -0.678 41.341 42.059 -0.067 0.000 0.903 235 L HN 0.334 nan 8.230 nan 0.000 0.435 236 A N -0.677 122.048 122.820 -0.159 0.000 2.263 236 A HA -0.062 4.257 4.320 -0.002 0.000 0.205 236 A C 1.133 178.587 177.584 -0.217 0.000 1.226 236 A CA 0.906 52.849 52.037 -0.157 0.000 0.810 236 A CB -0.422 18.494 19.000 -0.140 0.000 0.784 236 A HN 0.536 nan 8.150 nan 0.000 0.486 237 N N -1.279 117.278 118.700 -0.238 0.000 2.073 237 N HA 0.133 4.872 4.740 -0.002 0.000 0.227 237 N C 0.099 175.567 175.510 -0.071 0.000 1.367 237 N CA 0.438 53.380 53.050 -0.181 0.000 0.775 237 N CB 0.435 38.702 38.487 -0.368 0.000 1.234 237 N HN 0.351 nan 8.380 nan 0.000 0.512 238 A N 1.512 124.292 122.820 -0.068 0.000 2.608 238 A HA 0.016 4.335 4.320 -0.002 0.000 0.239 238 A C 0.665 178.283 177.584 0.057 0.000 1.018 238 A CA 0.468 52.502 52.037 -0.005 0.000 0.766 238 A CB -0.291 18.712 19.000 0.005 0.000 0.928 238 A HN 0.260 nan 8.150 nan 0.000 0.512 239 I N 4.856 125.496 120.570 0.116 0.000 2.471 239 I HA 0.072 4.241 4.170 -0.002 0.000 0.286 239 I C -1.306 174.902 176.117 0.152 0.000 1.079 239 I CA -1.505 59.903 61.300 0.181 0.000 1.398 239 I CB 1.216 39.410 38.000 0.324 0.000 1.403 239 I HN 0.542 nan 8.210 nan 0.000 0.530 240 P HA -0.153 nan 4.420 nan 0.000 0.214 240 P C -0.044 177.283 177.300 0.045 0.000 1.163 240 P CA 1.227 64.364 63.100 0.062 0.000 0.889 240 P CB 0.307 32.036 31.700 0.050 0.000 0.790 241 A N -2.302 120.550 122.820 0.053 0.000 2.511 241 A HA 0.628 4.947 4.320 -0.002 0.000 0.293 241 A C -1.617 175.961 177.584 -0.010 0.000 1.098 241 A CA -0.387 51.646 52.037 -0.007 0.000 0.643 241 A CB 0.633 19.627 19.000 -0.011 0.000 1.302 241 A HN 0.236 nan 8.150 nan 0.000 0.446 242 N N -1.744 116.907 118.700 -0.082 0.000 2.927 242 N HA 0.454 5.193 4.740 -0.002 0.000 0.248 242 N C 0.537 176.013 175.510 -0.056 0.000 1.443 242 N CA 0.076 53.088 53.050 -0.063 0.000 0.870 242 N CB 0.635 39.003 38.487 -0.198 0.000 1.444 242 N HN 0.385 nan 8.380 nan 0.000 0.519 243 S N -0.201 115.488 115.700 -0.018 0.000 2.451 243 S HA -0.352 4.117 4.470 -0.002 0.000 0.272 243 S C 1.768 176.349 174.600 -0.032 0.000 1.136 243 S CA 2.624 60.816 58.200 -0.013 0.000 1.209 243 S CB -1.152 62.050 63.200 0.004 0.000 1.130 243 S HN 0.825 nan 8.310 nan 0.000 0.440 244 A N 0.992 123.779 122.820 -0.055 0.000 2.125 244 A HA 0.412 4.730 4.320 -0.002 0.000 0.219 244 A C 1.189 178.735 177.584 -0.063 0.000 1.156 244 A CA 1.486 53.487 52.037 -0.061 0.000 0.671 244 A CB -0.731 18.220 19.000 -0.082 0.000 0.794 244 A HN 1.199 nan 8.150 nan 0.000 0.459 245 G N -1.688 107.071 108.800 -0.067 0.000 2.359 245 G HA2 0.146 4.105 3.960 -0.002 0.000 0.303 245 G HA3 0.146 4.105 3.960 -0.002 0.000 0.303 245 G C -1.440 173.425 174.900 -0.058 0.000 1.293 245 G CA -0.632 44.436 45.100 -0.054 0.000 0.964 245 G HN 0.187 nan 8.290 nan 0.000 0.531 246 N N 0.099 118.775 118.700 -0.040 0.000 2.513 246 N HA 0.469 5.208 4.740 -0.002 0.000 0.268 246 N C 0.093 175.581 175.510 -0.036 0.000 1.180 246 N CA 0.126 53.158 53.050 -0.030 0.000 0.948 246 N CB 0.852 39.329 38.487 -0.017 0.000 1.083 246 N HN 0.527 nan 8.380 nan 0.000 0.455 247 L N 0.815 122.022 121.223 -0.027 0.000 2.325 247 L HA 0.428 4.766 4.340 -0.002 0.000 0.278 247 L C 1.521 178.394 176.870 0.005 0.000 1.023 247 L CA -0.878 53.952 54.840 -0.017 0.000 0.811 247 L CB 1.408 43.461 42.059 -0.011 0.000 1.249 247 L HN 0.565 nan 8.230 nan 0.000 0.431 248 T N -1.829 112.730 114.554 0.008 0.000 3.051 248 T HA 0.085 4.434 4.350 -0.002 0.000 0.356 248 T C 0.896 175.608 174.700 0.019 0.000 1.204 248 T CA -0.228 61.878 62.100 0.010 0.000 0.990 248 T CB 0.599 69.470 68.868 0.006 0.000 1.628 248 T HN 0.514 nan 8.240 nan 0.000 0.550 249 Q N -0.175 119.633 119.800 0.014 0.000 1.946 249 Q HA -0.089 4.250 4.340 -0.002 0.000 0.199 249 Q C 2.603 178.617 176.000 0.023 0.000 0.979 249 Q CA 1.433 57.243 55.803 0.012 0.000 0.834 249 Q CB -0.599 28.141 28.738 0.003 0.000 0.899 249 Q HN 0.594 nan 8.270 nan 0.000 0.431 250 Q N 1.042 120.856 119.800 0.024 0.000 1.985 250 Q HA -0.202 4.137 4.340 -0.002 0.000 0.207 250 Q C 1.967 178.008 176.000 0.069 0.000 0.996 250 Q CA 1.602 57.427 55.803 0.037 0.000 0.851 250 Q CB -0.544 28.212 28.738 0.030 0.000 0.921 250 Q HN 0.472 nan 8.270 nan 0.000 0.418 251 E N -0.399 119.842 120.200 0.069 0.000 2.068 251 E HA -0.235 4.114 4.350 -0.002 0.000 0.207 251 E C 1.975 178.674 176.600 0.166 0.000 1.032 251 E CA 1.280 57.743 56.400 0.105 0.000 0.839 251 E CB -0.505 29.225 29.700 0.050 0.000 0.758 251 E HN 0.547 nan 8.360 nan 0.000 0.457 252 G N 0.836 109.710 108.800 0.123 0.000 2.422 252 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.218 252 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.218 252 G C 1.684 176.672 174.900 0.146 0.000 1.146 252 G CA 1.036 46.234 45.100 0.164 0.000 0.769 252 G HN 0.370 nan 8.290 nan 0.000 0.547 253 A N 0.711 123.576 122.820 0.075 0.000 1.873 253 A HA 0.004 4.322 4.320 -0.002 0.000 0.215 253 A C 2.265 179.879 177.584 0.051 0.000 1.186 253 A CA 1.932 53.976 52.037 0.012 0.000 0.616 253 A CB -0.336 18.655 19.000 -0.015 0.000 0.823 253 A HN 0.255 nan 8.150 nan 0.000 0.442 254 E N -0.747 119.532 120.200 0.131 0.000 2.085 254 E HA -0.182 4.167 4.350 -0.002 0.000 0.194 254 E C 1.728 178.454 176.600 0.211 0.000 0.994 254 E CA 1.104 57.624 56.400 0.199 0.000 0.801 254 E CB -0.594 29.273 29.700 0.279 0.000 0.743 254 E HN 0.639 nan 8.360 nan 0.000 0.453 255 F N 1.279 121.271 119.950 0.071 0.000 2.171 255 F HA -0.142 4.384 4.527 -0.002 0.000 0.300 255 F C 2.134 177.835 175.800 -0.164 0.000 1.090 255 F CA 0.695 58.650 58.000 -0.075 0.000 1.293 255 F CB -0.358 38.684 39.000 0.069 0.000 1.013 255 F HN 0.022 nan 8.300 nan 0.000 0.486 256 L N 0.560 121.684 121.223 -0.165 0.000 1.994 256 L HA 0.052 4.391 4.340 -0.002 0.000 0.208 256 L C 2.571 179.288 176.870 -0.255 0.000 1.071 256 L CA 2.308 56.961 54.840 -0.313 0.000 0.745 256 L CB -1.632 40.298 42.059 -0.216 0.000 0.892 256 L HN 0.181 nan 8.230 nan 0.000 0.431 257 G N -0.875 107.883 108.800 -0.069 0.000 2.476 257 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.218 257 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.218 257 G C 1.603 176.657 174.900 0.257 0.000 1.164 257 G CA 1.117 46.346 45.100 0.215 0.000 0.768 257 G HN 0.684 nan 8.290 nan 0.000 0.560 258 A N 0.296 123.143 122.820 0.044 0.000 1.933 258 A HA -0.017 4.302 4.320 -0.002 0.000 0.218 258 A C 2.473 179.858 177.584 -0.331 0.000 1.175 258 A CA 1.554 53.482 52.037 -0.182 0.000 0.628 258 A CB -0.295 18.124 19.000 -0.969 0.000 0.814 258 A HN 0.248 nan 8.150 nan 0.000 0.444 259 R N -0.921 119.283 120.500 -0.494 0.000 2.148 259 R HA 0.034 4.373 4.340 -0.002 0.000 0.227 259 R C 1.975 178.085 176.300 -0.316 0.000 1.103 259 R CA 1.335 57.138 56.100 -0.496 0.000 0.983 259 R CB -0.570 29.317 30.300 -0.688 0.000 0.874 259 R HN 0.646 nan 8.270 nan 0.000 0.451 260 M N -1.094 118.353 119.600 -0.254 0.000 2.200 260 M HA -0.047 4.431 4.480 -0.002 0.000 0.265 260 M C 1.504 177.641 176.300 -0.271 0.000 1.066 260 M CA 1.511 56.659 55.300 -0.254 0.000 1.127 260 M CB -0.120 32.343 32.600 -0.227 0.000 1.379 260 M HN -0.040 nan 8.290 nan 0.000 0.420 261 F N -0.523 119.294 119.950 -0.221 0.000 2.317 261 F HA 0.203 4.729 4.527 -0.002 0.000 0.293 261 F C 1.916 177.679 175.800 -0.061 0.000 1.085 261 F CA 1.329 59.214 58.000 -0.192 0.000 1.390 261 F CB 0.056 38.767 39.000 -0.481 0.000 1.077 261 F HN 0.293 nan 8.300 nan 0.000 0.517 262 G N 0.318 109.167 108.800 0.082 0.000 2.184 262 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.206 262 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.206 262 G C 0.332 175.254 174.900 0.036 0.000 0.995 262 G CA -0.338 44.789 45.100 0.045 0.000 0.651 262 G HN 0.312 nan 8.290 nan 0.000 0.511 263 R N -1.458 119.096 120.500 0.091 0.000 2.740 263 R HA 0.512 4.850 4.340 -0.002 0.000 0.273 263 R C -0.823 175.587 176.300 0.182 0.000 0.998 263 R CA -0.894 55.286 56.100 0.133 0.000 0.900 263 R CB 1.209 31.640 30.300 0.219 0.000 1.223 263 R HN 0.102 nan 8.270 nan 0.000 0.466 264 W N 1.715 123.139 121.300 0.206 0.000 2.129 264 W HA 0.246 4.905 4.660 -0.002 0.000 0.349 264 W C 1.340 177.884 176.519 0.040 0.000 1.279 264 W CA -0.165 57.272 57.345 0.153 0.000 1.306 264 W CB 0.484 29.989 29.460 0.076 0.000 1.140 264 W HN 0.470 nan 8.180 nan 0.000 0.613 265 K N 0.279 120.641 120.400 -0.063 0.000 2.360 265 K HA -0.176 4.143 4.320 -0.002 0.000 0.201 265 K C 1.889 178.503 176.600 0.022 0.000 1.046 265 K CA 1.577 57.619 56.287 -0.409 0.000 0.940 265 K CB -0.140 32.042 32.500 -0.531 0.000 0.748 265 K HN 0.478 nan 8.250 nan 0.000 0.465 266 S N -1.233 114.551 115.700 0.140 0.000 2.527 266 S HA 0.086 4.555 4.470 -0.002 0.000 0.222 266 S C 1.480 176.136 174.600 0.095 0.000 0.985 266 S CA 0.598 58.880 58.200 0.137 0.000 0.921 266 S CB 0.464 63.725 63.200 0.101 0.000 0.772 266 S HN 0.427 nan 8.310 nan 0.000 0.529 267 G N 0.801 109.684 108.800 0.138 0.000 2.238 267 G HA2 -0.069 3.890 3.960 -0.002 0.000 0.217 267 G HA3 -0.069 3.890 3.960 -0.002 0.000 0.217 267 G C 0.294 175.290 174.900 0.161 0.000 0.996 267 G CA -0.209 44.962 45.100 0.117 0.000 0.632 267 G HN 1.350 nan 8.290 nan 0.000 0.503 268 A N 2.730 125.671 122.820 0.200 0.000 2.537 268 A HA 0.538 4.857 4.320 -0.002 0.000 0.260 268 A C -1.264 176.488 177.584 0.280 0.000 1.082 268 A CA 0.072 52.236 52.037 0.212 0.000 0.765 268 A CB -0.081 19.023 19.000 0.175 0.000 1.019 268 A HN 0.335 nan 8.150 nan 0.000 0.507 269 P HA 0.082 nan 4.420 nan 0.000 0.276 269 P C 0.991 178.269 177.300 -0.036 0.000 1.235 269 P CA -0.164 62.870 63.100 -0.110 0.000 0.772 269 P CB 0.651 32.017 31.700 -0.558 0.000 0.871 270 I N -0.068 120.488 120.570 -0.024 0.000 2.756 270 I HA -0.142 4.027 4.170 -0.002 0.000 0.262 270 I C 1.226 177.362 176.117 0.031 0.000 1.225 270 I CA 1.430 62.780 61.300 0.083 0.000 1.472 270 I CB -0.742 37.228 38.000 -0.050 0.000 1.094 270 I HN 0.139 nan 8.210 nan 0.000 0.454 271 D N 0.969 121.285 120.400 -0.140 0.000 2.378 271 D HA 0.004 4.642 4.640 -0.002 0.000 0.227 271 D C 1.707 177.987 176.300 -0.033 0.000 1.012 271 D CA 0.909 54.860 54.000 -0.081 0.000 0.905 271 D CB 0.143 40.837 40.800 -0.178 0.000 0.895 271 D HN 0.503 nan 8.370 nan 0.000 0.532 272 L N -1.204 120.004 121.223 -0.026 0.000 2.766 272 L HA 0.412 4.751 4.340 -0.002 0.000 0.241 272 L C 0.650 177.568 176.870 0.079 0.000 1.080 272 L CA 0.120 54.983 54.840 0.039 0.000 0.909 272 L CB 0.559 42.642 42.059 0.039 0.000 1.277 272 L HN -0.050 nan 8.230 nan 0.000 0.510 273 A N 0.603 123.509 122.820 0.143 0.000 3.258 273 A HA 0.417 4.735 4.320 -0.002 0.000 0.318 273 A C -1.894 175.926 177.584 0.394 0.000 0.990 273 A CA -0.872 51.281 52.037 0.192 0.000 0.885 273 A CB -0.086 18.993 19.000 0.131 0.000 1.090 273 A HN -0.065 nan 8.150 nan 0.000 0.479 274 P HA -0.135 nan 4.420 nan 0.000 0.222 274 P C 0.986 178.529 177.300 0.404 0.000 1.147 274 P CA 2.024 65.304 63.100 0.301 0.000 0.790 274 P CB 0.138 31.942 31.700 0.173 0.000 0.780 275 T N -5.114 109.616 114.554 0.295 0.000 2.975 275 T HA 0.626 4.974 4.350 -0.002 0.000 0.261 275 T C 0.589 175.353 174.700 0.106 0.000 0.984 275 T CA 0.061 62.240 62.100 0.131 0.000 0.911 275 T CB 0.353 69.211 68.868 -0.017 0.000 1.127 275 T HN 0.169 nan 8.240 nan 0.000 0.514 276 A N 0.911 123.790 122.820 0.098 0.000 2.612 276 A HA 0.626 4.945 4.320 -0.002 0.000 0.293 276 A C -1.798 175.192 177.584 -0.991 0.000 1.075 276 A CA -0.787 51.017 52.037 -0.390 0.000 0.680 276 A CB 1.239 20.071 19.000 -0.281 0.000 1.279 276 A HN 0.132 nan 8.150 nan 0.000 0.411 277 D N 0.357 119.742 120.400 -1.692 0.000 2.372 277 D HA 0.373 5.011 4.640 -0.002 0.000 0.243 277 D C -0.777 175.136 176.300 -0.645 0.000 1.121 277 D CA 0.749 53.805 54.000 -1.574 0.000 0.898 277 D CB 0.919 41.054 40.800 -1.108 0.000 1.202 277 D HN 0.354 nan 8.370 nan 0.000 0.428 278 D N 3.214 123.369 120.400 -0.409 0.000 2.441 278 D HA 0.239 4.878 4.640 -0.002 0.000 0.287 278 D C -1.990 174.244 176.300 -0.110 0.000 1.198 278 D CA -1.943 51.941 54.000 -0.194 0.000 0.894 278 D CB 1.180 41.911 40.800 -0.115 0.000 1.070 278 D HN 0.118 nan 8.370 nan 0.000 0.499 279 P HA -0.241 nan 4.420 nan 0.000 0.219 279 P C 1.232 178.518 177.300 -0.023 0.000 1.161 279 P CA 2.103 65.175 63.100 -0.047 0.000 0.909 279 P CB 0.335 32.004 31.700 -0.052 0.000 0.793 280 A N -1.041 121.761 122.820 -0.030 0.000 1.883 280 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 280 A C 2.177 179.756 177.584 -0.007 0.000 1.186 280 A CA 1.905 53.932 52.037 -0.016 0.000 0.624 280 A CB -1.698 17.290 19.000 -0.019 0.000 0.822 280 A HN 0.208 nan 8.150 nan 0.000 0.444 281 L N 0.171 121.389 121.223 -0.009 0.000 2.017 281 L HA -0.033 4.306 4.340 -0.002 0.000 0.208 281 L C 2.370 179.251 176.870 0.018 0.000 1.073 281 L CA 2.531 57.375 54.840 0.008 0.000 0.745 281 L CB -1.167 40.901 42.059 0.013 0.000 0.894 281 L HN 0.286 nan 8.230 nan 0.000 0.432 282 G N -0.870 107.944 108.800 0.024 0.000 2.440 282 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.218 282 G HA3 -0.272 3.686 3.960 -0.002 0.000 0.218 282 G C 1.460 176.369 174.900 0.014 0.000 1.154 282 G CA 0.705 45.829 45.100 0.039 0.000 0.767 282 G HN 0.666 nan 8.290 nan 0.000 0.552 283 A N -0.461 122.364 122.820 0.007 0.000 2.235 283 A HA 0.210 4.528 4.320 -0.002 0.000 0.208 283 A C 0.834 178.405 177.584 -0.021 0.000 1.172 283 A CA 0.575 52.611 52.037 -0.002 0.000 0.786 283 A CB 0.018 19.024 19.000 0.009 0.000 0.804 283 A HN 0.253 nan 8.150 nan 0.000 0.479 284 D N 0.010 120.395 120.400 -0.025 0.000 2.454 284 D HA 0.234 4.873 4.640 -0.002 0.000 0.225 284 D C -1.684 174.557 176.300 -0.098 0.000 1.081 284 D CA -2.221 51.755 54.000 -0.039 0.000 0.864 284 D CB 1.406 42.200 40.800 -0.010 0.000 1.040 284 D HN 0.069 nan 8.370 nan 0.000 0.517 285 P HA -0.158 nan 4.420 nan 0.000 0.221 285 P C 0.870 177.911 177.300 -0.431 0.000 1.145 285 P CA 0.792 63.583 63.100 -0.516 0.000 0.795 285 P CB 0.573 31.786 31.700 -0.811 0.000 0.775 286 Q N -0.619 119.120 119.800 -0.102 0.000 2.432 286 Q HA 0.040 4.378 4.340 -0.002 0.000 0.205 286 Q C 1.881 177.910 176.000 0.048 0.000 0.945 286 Q CA 0.791 56.637 55.803 0.072 0.000 0.924 286 Q CB 0.119 28.918 28.738 0.100 0.000 1.016 286 Q HN 0.459 nan 8.270 nan 0.000 0.503 287 R N -0.159 120.347 120.500 0.011 0.000 2.561 287 R HA 0.047 4.386 4.340 -0.002 0.000 0.213 287 R C 1.259 177.603 176.300 0.073 0.000 0.885 287 R CA 0.523 56.650 56.100 0.046 0.000 1.002 287 R CB 0.047 30.372 30.300 0.041 0.000 1.432 287 R HN 0.177 nan 8.270 nan 0.000 0.651 288 N N 0.917 119.643 118.700 0.044 0.000 2.635 288 N HA -0.137 4.602 4.740 -0.002 0.000 0.191 288 N C 0.551 176.188 175.510 0.212 0.000 1.155 288 N CA 1.126 54.235 53.050 0.097 0.000 0.927 288 N CB -0.105 38.409 38.487 0.045 0.000 0.976 288 N HN 0.092 nan 8.380 nan 0.000 0.448 289 N N -0.878 117.932 118.700 0.184 0.000 2.167 289 N HA 0.059 4.798 4.740 -0.002 0.000 0.234 289 N C -0.998 174.501 175.510 -0.017 0.000 1.312 289 N CA -0.309 52.853 53.050 0.186 0.000 0.861 289 N CB -0.027 38.493 38.487 0.054 0.000 1.217 289 N HN 0.062 nan 8.380 nan 0.000 0.504 290 N N 1.322 120.100 118.700 0.129 0.000 3.124 290 N HA 0.185 4.924 4.740 -0.002 0.000 0.284 290 N C -1.470 174.115 175.510 0.126 0.000 1.209 290 N CA -0.108 52.972 53.050 0.049 0.000 1.149 290 N CB -0.619 37.914 38.487 0.077 0.000 1.434 290 N HN 0.248 nan 8.380 nan 0.000 0.529 291 F N -0.839 119.078 119.950 -0.056 0.000 2.713 291 F HA 0.479 5.005 4.527 -0.002 0.000 0.311 291 F C -0.546 175.127 175.800 -0.211 0.000 1.141 291 F CA -1.134 56.797 58.000 -0.114 0.000 0.939 291 F CB 1.101 40.019 39.000 -0.137 0.000 1.325 291 F HN -0.009 nan 8.300 nan 0.000 0.453 292 D N -0.426 119.911 120.400 -0.106 0.000 2.640 292 D HA 0.071 4.709 4.640 -0.002 0.000 0.282 292 D C -0.181 176.096 176.300 -0.038 0.000 1.558 292 D CA -0.203 53.662 54.000 -0.226 0.000 0.820 292 D CB -0.618 40.128 40.800 -0.091 0.000 1.243 292 D HN 0.708 nan 8.370 nan 0.000 0.456 293 Y N 0.600 121.060 120.300 0.267 0.000 4.899 293 Y HA -0.350 4.199 4.550 -0.002 0.000 0.241 293 Y C 2.119 178.092 175.900 0.122 0.000 0.976 293 Y CA 0.756 58.964 58.100 0.179 0.000 1.952 293 Y CB -2.756 35.797 38.460 0.155 0.000 1.496 293 Y HN 0.292 nan 8.280 nan 0.000 0.545 294 S N 0.179 115.998 115.700 0.200 0.000 2.465 294 S HA -0.169 4.299 4.470 -0.002 0.000 0.241 294 S C 1.264 175.941 174.600 0.128 0.000 1.000 294 S CA 1.473 59.757 58.200 0.141 0.000 0.964 294 S CB -0.255 63.002 63.200 0.096 0.000 0.763 294 S HN 0.647 nan 8.310 nan 0.000 0.512 295 D N -0.449 120.036 120.400 0.141 0.000 2.368 295 D HA 0.139 4.778 4.640 -0.002 0.000 0.218 295 D C 0.760 177.133 176.300 0.121 0.000 1.112 295 D CA 0.274 54.343 54.000 0.115 0.000 0.834 295 D CB 0.043 40.903 40.800 0.101 0.000 0.953 295 D HN 0.356 nan 8.370 nan 0.000 0.505 296 T N -0.492 114.157 114.554 0.157 0.000 3.855 296 T HA 0.213 4.562 4.350 -0.002 0.000 0.313 296 T C 1.054 175.869 174.700 0.191 0.000 0.938 296 T CA -0.289 61.894 62.100 0.138 0.000 1.011 296 T CB -0.769 68.173 68.868 0.123 0.000 1.188 296 T HN 0.024 nan 8.240 nan 0.000 0.477 297 L N 0.952 122.288 121.223 0.189 0.000 1.994 297 L HA 0.076 4.415 4.340 -0.002 0.000 0.208 297 L C 2.598 179.617 176.870 0.249 0.000 1.071 297 L CA 1.929 56.883 54.840 0.189 0.000 0.745 297 L CB -0.528 41.596 42.059 0.108 0.000 0.892 297 L HN 0.489 nan 8.230 nan 0.000 0.431 298 T N -3.362 111.310 114.554 0.195 0.000 3.223 298 T HA 0.246 4.595 4.350 -0.002 0.000 0.259 298 T C -0.317 174.542 174.700 0.265 0.000 1.015 298 T CA -0.393 61.834 62.100 0.212 0.000 0.908 298 T CB -0.629 68.301 68.868 0.103 0.000 1.054 298 T HN 0.499 nan 8.240 nan 0.000 0.567 299 D N -1.271 119.270 120.400 0.234 0.000 2.653 299 D HA 0.262 4.901 4.640 -0.002 0.000 0.258 299 D C -0.598 175.538 176.300 -0.272 0.000 1.252 299 D CA -0.937 53.072 54.000 0.016 0.000 0.777 299 D CB 0.681 41.491 40.800 0.018 0.000 1.339 299 D HN 0.041 nan 8.370 nan 0.000 0.422 300 E N -0.089 119.868 120.200 -0.406 0.000 2.585 300 E HA 0.156 4.505 4.350 -0.002 0.000 0.206 300 E C 0.385 176.849 176.600 -0.226 0.000 1.007 300 E CA -0.162 55.935 56.400 -0.504 0.000 1.028 300 E CB 0.613 29.898 29.700 -0.693 0.000 1.087 300 E HN 0.461 nan 8.360 nan 0.000 0.455 301 T N 0.941 115.427 114.554 -0.113 0.000 2.701 301 T HA -0.128 4.220 4.350 -0.002 0.000 0.263 301 T C 1.849 176.555 174.700 0.009 0.000 1.040 301 T CA 1.091 63.175 62.100 -0.027 0.000 1.147 301 T CB 0.029 68.900 68.868 0.005 0.000 0.865 301 T HN 0.201 nan 8.240 nan 0.000 0.426 302 R N -0.575 119.932 120.500 0.012 0.000 2.075 302 R HA 0.204 4.542 4.340 -0.002 0.000 0.226 302 R C 0.878 177.191 176.300 0.022 0.000 1.114 302 R CA 0.518 56.648 56.100 0.051 0.000 0.972 302 R CB -0.075 30.271 30.300 0.075 0.000 0.869 302 R HN 0.342 nan 8.270 nan 0.000 0.437 303 C N 0.465 119.743 119.300 -0.037 0.000 2.891 303 C HA 0.438 4.896 4.460 -0.002 0.000 0.342 303 C C -2.735 172.120 174.990 -0.225 0.000 1.126 303 C CA -2.338 56.627 59.018 -0.090 0.000 1.322 303 C CB 1.736 29.492 27.740 0.027 0.000 1.763 303 C HN 0.098 nan 8.230 nan 0.000 0.491 304 P HA 0.161 nan 4.420 nan 0.000 0.269 304 P C 0.245 177.381 177.300 -0.273 0.000 1.217 304 P CA 0.113 63.023 63.100 -0.317 0.000 0.783 304 P CB 0.228 31.779 31.700 -0.247 0.000 0.898 305 F N 0.400 120.237 119.950 -0.187 0.000 2.367 305 F HA 0.117 4.642 4.527 -0.002 0.000 0.298 305 F C 2.192 177.844 175.800 -0.247 0.000 1.094 305 F CA 1.274 59.128 58.000 -0.244 0.000 1.409 305 F CB -1.115 37.758 39.000 -0.213 0.000 1.064 305 F HN 0.370 nan 8.300 nan 0.000 0.528 306 G N -0.520 108.274 108.800 -0.011 0.000 3.707 306 G HA2 0.450 4.408 3.960 -0.002 0.000 0.286 306 G HA3 0.450 4.408 3.960 -0.002 0.000 0.286 306 G C 0.196 175.041 174.900 -0.092 0.000 1.112 306 G CA 0.130 45.199 45.100 -0.052 0.000 0.861 306 G HN 0.321 nan 8.290 nan 0.000 0.534 307 A N 0.015 122.764 122.820 -0.117 0.000 2.440 307 A HA 0.394 4.713 4.320 -0.002 0.000 0.251 307 A C 1.197 178.753 177.584 -0.048 0.000 1.089 307 A CA -0.033 51.939 52.037 -0.108 0.000 0.779 307 A CB 0.351 19.290 19.000 -0.102 0.000 1.022 307 A HN 0.520 nan 8.150 nan 0.000 0.492 308 H N 2.373 121.343 119.070 -0.165 0.000 2.266 308 H HA -0.273 4.282 4.556 -0.002 0.000 0.286 308 H C 1.851 177.211 175.328 0.052 0.000 1.102 308 H CA 3.923 59.905 56.048 -0.110 0.000 1.182 308 H CB -0.364 29.262 29.762 -0.226 0.000 1.345 308 H HN 0.603 nan 8.280 nan 0.000 0.485 309 V N -0.945 119.019 119.914 0.083 0.000 2.490 309 V HA -0.189 3.929 4.120 -0.002 0.000 0.250 309 V C 2.499 178.693 176.094 0.165 0.000 1.061 309 V CA 2.391 64.773 62.300 0.137 0.000 1.064 309 V CB -0.824 31.195 31.823 0.326 0.000 0.670 309 V HN 0.412 nan 8.190 nan 0.000 0.461 310 R N -0.101 120.451 120.500 0.086 0.000 2.148 310 R HA -0.029 4.310 4.340 -0.002 0.000 0.223 310 R C 2.349 178.594 176.300 -0.092 0.000 1.088 310 R CA 0.913 56.965 56.100 -0.081 0.000 0.985 310 R CB -0.068 29.954 30.300 -0.465 0.000 0.880 310 R HN 0.443 nan 8.270 nan 0.000 0.451 311 K N -0.365 120.001 120.400 -0.057 0.000 2.116 311 K HA -0.039 4.279 4.320 -0.002 0.000 0.203 311 K C 2.024 178.686 176.600 0.104 0.000 1.052 311 K CA 1.758 58.049 56.287 0.008 0.000 0.952 311 K CB -0.118 32.389 32.500 0.011 0.000 0.729 311 K HN 0.343 nan 8.250 nan 0.000 0.446 312 T N -1.114 113.473 114.554 0.055 0.000 3.023 312 T HA -0.035 4.314 4.350 -0.002 0.000 0.266 312 T C 0.723 175.615 174.700 0.320 0.000 1.093 312 T CA 0.586 62.800 62.100 0.188 0.000 1.129 312 T CB -0.013 68.852 68.868 -0.005 0.000 0.899 312 T HN -0.049 nan 8.240 nan 0.000 0.491 313 N N 1.425 120.241 118.700 0.193 0.000 2.751 313 N HA 0.287 5.026 4.740 -0.002 0.000 0.238 313 N C -2.548 173.057 175.510 0.158 0.000 1.351 313 N CA -2.022 51.142 53.050 0.190 0.000 0.751 313 N CB 1.706 40.335 38.487 0.237 0.000 1.342 313 N HN -0.060 nan 8.380 nan 0.000 0.540 314 P HA -0.150 nan 4.420 nan 0.000 0.231 314 P C 0.248 177.654 177.300 0.177 0.000 1.158 314 P CA 0.599 63.656 63.100 -0.071 0.000 0.763 314 P CB 0.434 31.918 31.700 -0.360 0.000 0.805 315 R N -1.071 119.549 120.500 0.200 0.000 3.830 315 R HA -0.298 4.041 4.340 -0.002 0.000 0.431 315 R C 1.759 178.158 176.300 0.164 0.000 0.243 315 R CA 2.157 58.375 56.100 0.197 0.000 1.371 315 R CB -2.344 28.050 30.300 0.157 0.000 0.946 315 R HN 0.163 nan 8.270 nan 0.000 0.585 316 Q N 1.218 121.129 119.800 0.185 0.000 2.291 316 Q HA -0.084 4.255 4.340 -0.002 0.000 0.206 316 Q C 1.042 177.096 176.000 0.090 0.000 0.976 316 Q CA 1.907 57.790 55.803 0.135 0.000 0.875 316 Q CB -0.322 28.500 28.738 0.140 0.000 0.927 316 Q HN 0.335 nan 8.270 nan 0.000 0.450 317 D N -0.367 120.068 120.400 0.059 0.000 2.393 317 D HA -0.129 4.509 4.640 -0.002 0.000 0.220 317 D C 0.534 176.775 176.300 -0.100 0.000 0.974 317 D CA 0.814 54.756 54.000 -0.096 0.000 0.931 317 D CB 0.016 40.646 40.800 -0.282 0.000 0.889 317 D HN 0.486 nan 8.370 nan 0.000 0.512 318 L N -5.492 115.736 121.223 0.009 0.000 3.288 318 L HA 0.590 4.929 4.340 -0.002 0.000 0.293 318 L C 1.110 178.051 176.870 0.118 0.000 1.294 318 L CA -0.158 54.731 54.840 0.082 0.000 1.006 318 L CB 0.533 42.686 42.059 0.156 0.000 1.407 318 L HN -0.006 nan 8.230 nan 0.000 0.592 319 G N -0.055 108.797 108.800 0.086 0.000 2.659 319 G HA2 -0.004 3.954 3.960 -0.002 0.000 0.212 319 G HA3 -0.004 3.954 3.960 -0.002 0.000 0.212 319 G C 0.393 175.345 174.900 0.086 0.000 1.226 319 G CA -0.186 44.966 45.100 0.087 0.000 0.739 319 G HN 1.193 nan 8.290 nan 0.000 0.528 320 G N -0.310 108.553 108.800 0.104 0.000 2.399 320 G HA2 0.573 4.532 3.960 -0.002 0.000 0.256 320 G HA3 0.573 4.532 3.960 -0.002 0.000 0.256 320 G C -3.151 171.822 174.900 0.122 0.000 1.236 320 G CA 0.327 45.485 45.100 0.096 0.000 0.914 320 G HN 0.598 nan 8.290 nan 0.000 0.482 321 P HA 0.502 nan 4.420 nan 0.000 0.269 321 P C -0.777 176.620 177.300 0.162 0.000 1.209 321 P CA -0.120 63.062 63.100 0.135 0.000 0.776 321 P CB 1.370 33.121 31.700 0.084 0.000 0.876 322 V N 2.752 122.804 119.914 0.230 0.000 2.697 322 V HA 0.099 4.218 4.120 -0.002 0.000 0.300 322 V C 0.290 176.532 176.094 0.246 0.000 1.115 322 V CA -0.456 61.972 62.300 0.213 0.000 0.912 322 V CB 1.882 33.886 31.823 0.302 0.000 1.024 322 V HN 0.507 nan 8.190 nan 0.000 0.431 323 D N 1.791 122.257 120.400 0.110 0.000 2.077 323 D HA -0.117 4.522 4.640 -0.002 0.000 0.196 323 D C 1.917 178.233 176.300 0.026 0.000 0.986 323 D CA 1.951 56.018 54.000 0.111 0.000 0.829 323 D CB -0.065 40.738 40.800 0.004 0.000 0.983 323 D HN 0.659 nan 8.370 nan 0.000 0.453 324 T N 0.986 115.364 114.554 -0.294 0.000 2.777 324 T HA -0.256 4.092 4.350 -0.002 0.000 0.259 324 T C 1.350 175.546 174.700 -0.840 0.000 1.034 324 T CA 1.569 63.219 62.100 -0.749 0.000 1.161 324 T CB -0.512 67.513 68.868 -1.405 0.000 0.843 324 T HN 0.159 nan 8.240 nan 0.000 0.477 325 F N -0.067 119.862 119.950 -0.035 0.000 2.639 325 F HA 0.315 4.841 4.527 -0.002 0.000 0.302 325 F C 1.201 176.971 175.800 -0.050 0.000 1.097 325 F CA -0.956 56.972 58.000 -0.119 0.000 1.294 325 F CB -0.204 38.697 39.000 -0.166 0.000 1.027 325 F HN 0.184 nan 8.300 nan 0.000 0.550 326 H N 0.811 120.001 119.070 0.200 0.000 2.551 326 H HA 0.741 5.295 4.556 -0.002 0.000 0.358 326 H C -0.107 175.333 175.328 0.186 0.000 1.151 326 H CA -0.085 56.090 56.048 0.212 0.000 1.374 326 H CB 1.634 31.494 29.762 0.165 0.000 1.473 326 H HN 0.189 nan 8.280 nan 0.000 0.574 327 A N 2.596 125.611 122.820 0.326 0.000 2.609 327 A HA 0.487 4.806 4.320 -0.002 0.000 0.291 327 A C -0.855 176.891 177.584 0.270 0.000 1.096 327 A CA -0.830 51.374 52.037 0.278 0.000 0.684 327 A CB 1.795 20.964 19.000 0.282 0.000 1.282 327 A HN 0.474 nan 8.150 nan 0.000 0.412 328 M N 0.893 120.650 119.600 0.260 0.000 2.318 328 M HA 0.484 4.963 4.480 -0.002 0.000 0.347 328 M C -0.063 176.368 176.300 0.217 0.000 1.175 328 M CA 0.070 55.521 55.300 0.251 0.000 1.075 328 M CB 1.196 33.955 32.600 0.265 0.000 1.614 328 M HN 0.754 nan 8.290 nan 0.000 0.456 329 R N 0.180 120.782 120.500 0.169 0.000 2.670 329 R HA 0.509 4.848 4.340 -0.002 0.000 0.289 329 R C -0.276 176.078 176.300 0.090 0.000 0.965 329 R CA -0.399 55.726 56.100 0.041 0.000 0.899 329 R CB 1.877 32.207 30.300 0.050 0.000 1.173 329 R HN 0.697 nan 8.270 nan 0.000 0.456 330 S N 0.802 116.519 115.700 0.028 0.000 2.701 330 S HA 0.187 4.656 4.470 -0.002 0.000 0.228 330 S C -0.704 173.966 174.600 0.117 0.000 0.948 330 S CA -0.351 57.926 58.200 0.129 0.000 1.129 330 S CB 0.299 63.656 63.200 0.261 0.000 1.352 330 S HN 0.589 nan 8.310 nan 0.000 0.446 331 S N 1.465 117.198 115.700 0.056 0.000 2.634 331 S HA 0.679 5.148 4.470 -0.002 0.000 0.261 331 S C -0.216 174.500 174.600 0.193 0.000 1.271 331 S CA -0.474 57.792 58.200 0.110 0.000 0.985 331 S CB 0.977 64.241 63.200 0.107 0.000 0.968 331 S HN 0.693 nan 8.310 nan 0.000 0.568 332 I N 0.786 121.499 120.570 0.237 0.000 2.787 332 I HA 0.404 4.572 4.170 -0.002 0.000 0.294 332 I C -2.992 173.283 176.117 0.262 0.000 1.365 332 I CA -2.508 58.935 61.300 0.238 0.000 1.029 332 I CB 2.430 40.595 38.000 0.274 0.000 1.313 332 I HN 0.402 nan 8.210 nan 0.000 0.431 333 P HA 0.286 nan 4.420 nan 0.000 0.274 333 P C -1.988 175.524 177.300 0.353 0.000 1.246 333 P CA 0.255 63.491 63.100 0.227 0.000 0.795 333 P CB 0.340 32.058 31.700 0.030 0.000 1.006 334 Y N -1.939 118.537 120.300 0.292 0.000 2.609 334 Y HA 0.720 5.269 4.550 -0.002 0.000 0.336 334 Y C -0.247 175.765 175.900 0.187 0.000 1.129 334 Y CA -0.930 57.303 58.100 0.222 0.000 1.040 334 Y CB 0.814 39.370 38.460 0.161 0.000 1.310 334 Y HN 0.882 nan 8.280 nan 0.000 0.460 335 G N 2.008 110.969 108.800 0.268 0.000 2.662 335 G HA2 0.112 4.071 3.960 -0.002 0.000 0.686 335 G HA3 0.112 4.071 3.960 -0.002 0.000 0.686 335 G C -3.256 171.677 174.900 0.054 0.000 1.271 335 G CA -0.730 44.392 45.100 0.036 0.000 0.816 335 G HN 0.718 nan 8.290 nan 0.000 0.608 336 P HA 0.414 nan 4.420 nan 0.000 0.276 336 P C -0.166 177.181 177.300 0.078 0.000 1.261 336 P CA -0.329 62.815 63.100 0.073 0.000 0.800 336 P CB 0.878 32.607 31.700 0.050 0.000 1.066 337 E N -0.046 120.222 120.200 0.114 0.000 2.397 337 E HA 0.148 4.497 4.350 -0.002 0.000 0.254 337 E C -0.017 176.622 176.600 0.065 0.000 1.231 337 E CA 0.139 56.612 56.400 0.122 0.000 0.954 337 E CB -0.232 29.522 29.700 0.089 0.000 1.024 337 E HN 0.350 nan 8.360 nan 0.000 0.481 338 T N 1.274 115.872 114.554 0.073 0.000 2.794 338 T HA 0.192 4.541 4.350 -0.002 0.000 0.296 338 T C 0.658 175.386 174.700 0.045 0.000 0.949 338 T CA -0.443 61.690 62.100 0.054 0.000 1.101 338 T CB 0.449 69.360 68.868 0.072 0.000 0.905 338 T HN 0.460 nan 8.240 nan 0.000 0.516 339 S N 2.762 118.485 115.700 0.037 0.000 2.652 339 S HA 0.207 4.675 4.470 -0.002 0.000 0.267 339 S C 0.814 175.433 174.600 0.032 0.000 1.201 339 S CA -0.697 57.522 58.200 0.032 0.000 0.996 339 S CB 0.644 63.861 63.200 0.029 0.000 1.054 339 S HN 0.628 nan 8.310 nan 0.000 0.561 340 D N 1.068 121.484 120.400 0.027 0.000 2.085 340 D HA -0.015 4.624 4.640 -0.002 0.000 0.199 340 D C 2.278 178.594 176.300 0.026 0.000 0.981 340 D CA 1.472 55.487 54.000 0.025 0.000 0.834 340 D CB -0.964 39.849 40.800 0.021 0.000 0.992 340 D HN 0.667 nan 8.370 nan 0.000 0.457 341 A N 1.393 124.228 122.820 0.025 0.000 2.032 341 A HA -0.241 4.078 4.320 -0.002 0.000 0.221 341 A C 2.052 179.654 177.584 0.031 0.000 1.165 341 A CA 1.503 53.556 52.037 0.026 0.000 0.645 341 A CB -0.420 18.595 19.000 0.025 0.000 0.807 341 A HN 0.229 nan 8.150 nan 0.000 0.453 342 E N -0.432 119.788 120.200 0.034 0.000 2.014 342 E HA -0.046 4.303 4.350 -0.002 0.000 0.190 342 E C 2.037 178.664 176.600 0.045 0.000 0.980 342 E CA 0.961 57.385 56.400 0.040 0.000 0.807 342 E CB -0.316 29.409 29.700 0.041 0.000 0.770 342 E HN 0.602 nan 8.360 nan 0.000 0.451 343 L N 0.819 122.069 121.223 0.045 0.000 2.083 343 L HA -0.111 4.228 4.340 -0.002 0.000 0.209 343 L C 2.220 179.112 176.870 0.036 0.000 1.083 343 L CA 0.817 55.684 54.840 0.046 0.000 0.752 343 L CB -0.315 41.771 42.059 0.045 0.000 0.899 343 L HN 0.091 nan 8.230 nan 0.000 0.433 344 A N -0.929 121.910 122.820 0.031 0.000 2.250 344 A HA 0.018 4.337 4.320 -0.002 0.000 0.208 344 A C 1.733 179.333 177.584 0.027 0.000 1.254 344 A CA 1.110 53.162 52.037 0.026 0.000 0.858 344 A CB -0.424 18.590 19.000 0.022 0.000 0.820 344 A HN 0.522 nan 8.150 nan 0.000 0.484 345 S N -4.175 111.545 115.700 0.033 0.000 2.560 345 S HA 0.370 4.839 4.470 -0.002 0.000 0.281 345 S C 1.335 175.960 174.600 0.043 0.000 1.075 345 S CA 1.095 59.316 58.200 0.035 0.000 1.295 345 S CB -0.577 62.644 63.200 0.035 0.000 1.156 345 S HN 1.850 nan 8.310 nan 0.000 0.627 346 G N 1.107 109.936 108.800 0.048 0.000 2.180 346 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.263 346 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.263 346 G C -0.013 174.932 174.900 0.075 0.000 0.989 346 G CA 0.491 45.626 45.100 0.059 0.000 0.692 346 G HN 1.127 nan 8.290 nan 0.000 0.526 347 V N 0.973 120.927 119.914 0.067 0.000 2.444 347 V HA 0.486 4.605 4.120 -0.002 0.000 0.294 347 V C 0.775 176.910 176.094 0.067 0.000 1.022 347 V CA -0.360 61.983 62.300 0.071 0.000 0.850 347 V CB 1.747 33.605 31.823 0.059 0.000 0.992 347 V HN 0.286 nan 8.190 nan 0.000 0.426 348 T N 4.123 118.723 114.554 0.077 0.000 2.908 348 T HA 0.300 4.649 4.350 -0.002 0.000 0.301 348 T C 0.844 175.573 174.700 0.049 0.000 1.019 348 T CA 0.717 62.855 62.100 0.064 0.000 1.152 348 T CB 1.092 70.003 68.868 0.072 0.000 0.966 348 T HN 0.959 nan 8.240 nan 0.000 0.540 349 A N 3.281 126.124 122.820 0.038 0.000 2.551 349 A HA 0.303 4.622 4.320 -0.002 0.000 0.252 349 A C 0.480 178.082 177.584 0.030 0.000 1.199 349 A CA -0.168 51.889 52.037 0.034 0.000 0.972 349 A CB 0.562 19.582 19.000 0.033 0.000 1.153 349 A HN 0.732 nan 8.150 nan 0.000 0.559 350 Q N -0.136 119.676 119.800 0.021 0.000 2.416 350 Q HA 0.259 4.598 4.340 -0.002 0.000 0.281 350 Q C -1.974 174.027 176.000 0.001 0.000 1.067 350 Q CA -0.906 54.906 55.803 0.015 0.000 0.809 350 Q CB 2.105 30.847 28.738 0.006 0.000 1.418 350 Q HN 0.214 nan 8.270 nan 0.000 0.411 351 D N 2.282 122.703 120.400 0.035 0.000 2.336 351 D HA 0.156 4.795 4.640 -0.002 0.000 0.249 351 D C -0.829 175.459 176.300 -0.021 0.000 1.213 351 D CA 0.145 54.187 54.000 0.070 0.000 0.870 351 D CB 0.396 41.306 40.800 0.183 0.000 1.076 351 D HN 0.440 nan 8.370 nan 0.000 0.483 352 R N 1.769 122.103 120.500 -0.277 0.000 2.740 352 R HA 0.830 5.169 4.340 -0.002 0.000 0.273 352 R C -0.253 175.462 176.300 -0.975 0.000 0.998 352 R CA -1.138 54.480 56.100 -0.803 0.000 0.900 352 R CB 1.651 31.448 30.300 -0.837 0.000 1.223 352 R HN 0.402 nan 8.270 nan 0.000 0.466 353 G N 0.607 108.567 108.800 -1.400 0.000 2.392 353 G HA2 0.357 4.315 3.960 -0.002 0.000 0.260 353 G HA3 0.357 4.315 3.960 -0.002 0.000 0.260 353 G C -2.287 172.492 174.900 -0.201 0.000 1.226 353 G CA -0.599 44.119 45.100 -0.637 0.000 0.913 353 G HN 0.502 nan 8.290 nan 0.000 0.483 354 L N 0.203 121.563 121.223 0.229 0.000 2.386 354 L HA 0.763 5.101 4.340 -0.002 0.000 0.271 354 L C -0.763 176.320 176.870 0.355 0.000 0.993 354 L CA -0.716 54.330 54.840 0.343 0.000 0.819 354 L CB 1.813 44.056 42.059 0.306 0.000 1.294 354 L HN 0.470 nan 8.230 nan 0.000 0.414 355 L N 5.592 126.975 121.223 0.266 0.000 2.315 355 L HA 0.314 4.652 4.340 -0.002 0.000 0.278 355 L C -0.712 176.132 176.870 -0.042 0.000 1.088 355 L CA -0.290 54.534 54.840 -0.026 0.000 0.899 355 L CB 0.284 42.380 42.059 0.062 0.000 1.277 355 L HN 0.525 nan 8.230 nan 0.000 0.431 356 F N 4.284 123.993 119.950 -0.403 0.000 2.438 356 F HA 0.429 4.955 4.527 -0.002 0.000 0.356 356 F C -0.215 175.431 175.800 -0.256 0.000 1.099 356 F CA -0.208 57.647 58.000 -0.241 0.000 1.185 356 F CB 0.958 39.817 39.000 -0.236 0.000 1.115 356 F HN 0.009 nan 8.300 nan 0.000 0.526 357 V N 6.111 125.638 119.914 -0.645 0.000 2.525 357 V HA 0.331 4.450 4.120 -0.002 0.000 0.299 357 V C -0.852 174.789 176.094 -0.756 0.000 1.034 357 V CA -0.805 61.213 62.300 -0.469 0.000 0.863 357 V CB 1.598 33.350 31.823 -0.118 0.000 0.999 357 V HN 0.772 nan 8.190 nan 0.000 0.423 358 E N 3.493 123.327 120.200 -0.610 0.000 2.224 358 E HA 0.586 4.935 4.350 -0.002 0.000 0.265 358 E C -1.962 174.506 176.600 -0.219 0.000 0.878 358 E CA -0.600 55.599 56.400 -0.335 0.000 0.759 358 E CB 1.714 31.417 29.700 0.005 0.000 1.164 358 E HN 0.600 nan 8.360 nan 0.000 0.414 359 Y N 3.194 123.562 120.300 0.114 0.000 2.360 359 Y HA 0.350 4.899 4.550 -0.002 0.000 0.337 359 Y C 0.108 176.100 175.900 0.154 0.000 1.039 359 Y CA -0.456 57.723 58.100 0.131 0.000 1.109 359 Y CB 1.604 40.104 38.460 0.066 0.000 1.201 359 Y HN 0.413 nan 8.280 nan 0.000 0.458 360 Q N -0.151 119.855 119.800 0.343 0.000 2.527 360 Q HA 0.258 4.597 4.340 -0.002 0.000 0.280 360 Q C -0.319 175.857 176.000 0.293 0.000 0.977 360 Q CA -0.379 55.582 55.803 0.264 0.000 0.837 360 Q CB 1.200 30.076 28.738 0.231 0.000 1.454 360 Q HN 0.646 nan 8.270 nan 0.000 0.387 361 S N 1.008 116.839 115.700 0.218 0.000 2.423 361 S HA 0.114 4.583 4.470 -0.002 0.000 0.231 361 S C 0.899 175.686 174.600 0.312 0.000 1.014 361 S CA 0.661 59.019 58.200 0.263 0.000 0.965 361 S CB -0.224 63.056 63.200 0.134 0.000 0.785 361 S HN 0.554 nan 8.310 nan 0.000 0.495 362 I N 1.310 121.968 120.570 0.148 0.000 2.439 362 I HA 0.363 4.531 4.170 -0.002 0.000 0.283 362 I C 0.601 176.717 176.117 -0.003 0.000 1.023 362 I CA -0.623 60.684 61.300 0.011 0.000 1.100 362 I CB 1.668 39.649 38.000 -0.031 0.000 1.238 362 I HN 0.076 nan 8.210 nan 0.000 0.445 363 I N 4.296 124.798 120.570 -0.113 0.000 2.194 363 I HA -0.217 3.952 4.170 -0.002 0.000 0.246 363 I C 2.458 178.575 176.117 -0.000 0.000 1.093 363 I CA 1.870 63.128 61.300 -0.070 0.000 1.355 363 I CB -0.232 37.568 38.000 -0.333 0.000 1.046 363 I HN 0.821 nan 8.210 nan 0.000 0.413 364 G N 0.443 109.215 108.800 -0.047 0.000 2.559 364 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.216 364 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.216 364 G C 1.261 176.206 174.900 0.075 0.000 1.126 364 G CA 0.560 45.670 45.100 0.017 0.000 0.778 364 G HN 0.334 nan 8.290 nan 0.000 0.543 365 N N -0.104 118.608 118.700 0.021 0.000 2.220 365 N HA 0.140 4.879 4.740 -0.002 0.000 0.195 365 N C 1.561 177.126 175.510 0.091 0.000 1.123 365 N CA 0.677 53.710 53.050 -0.028 0.000 0.874 365 N CB 0.702 39.088 38.487 -0.169 0.000 0.995 365 N HN 0.304 nan 8.380 nan 0.000 0.498 366 G N 0.058 108.935 108.800 0.128 0.000 2.930 366 G HA2 0.055 4.014 3.960 -0.002 0.000 0.209 366 G HA3 0.055 4.014 3.960 -0.002 0.000 0.209 366 G C 0.898 175.915 174.900 0.194 0.000 2.018 366 G CA -0.136 45.075 45.100 0.186 0.000 0.751 366 G HN 0.083 nan 8.290 nan 0.000 0.770 367 F N 1.538 121.593 119.950 0.174 0.000 2.032 367 F HA -0.187 4.339 4.527 -0.002 0.000 0.297 367 F C 2.665 178.541 175.800 0.126 0.000 1.125 367 F CA 2.832 60.960 58.000 0.212 0.000 1.202 367 F CB -0.216 38.964 39.000 0.301 0.000 0.958 367 F HN 0.170 nan 8.300 nan 0.000 0.491 368 R N -0.752 119.619 120.500 -0.216 0.000 2.105 368 R HA -0.228 4.111 4.340 -0.002 0.000 0.239 368 R C 2.403 178.510 176.300 -0.322 0.000 1.135 368 R CA 2.002 57.894 56.100 -0.346 0.000 0.967 368 R CB -0.908 29.392 30.300 -0.000 0.000 0.861 368 R HN 0.460 nan 8.270 nan 0.000 0.442 369 F N 1.508 121.225 119.950 -0.388 0.000 2.084 369 F HA -0.154 4.372 4.527 -0.002 0.000 0.296 369 F C 2.428 177.738 175.800 -0.817 0.000 1.111 369 F CA 1.628 59.269 58.000 -0.598 0.000 1.224 369 F CB -0.214 38.418 39.000 -0.615 0.000 0.991 369 F HN 0.040 nan 8.300 nan 0.000 0.471 370 Q N -0.503 119.008 119.800 -0.482 0.000 2.096 370 Q HA -0.303 4.036 4.340 -0.002 0.000 0.204 370 Q C 2.132 177.927 176.000 -0.341 0.000 0.982 370 Q CA 2.037 57.626 55.803 -0.357 0.000 0.850 370 Q CB -0.339 28.375 28.738 -0.040 0.000 0.901 370 Q HN 0.399 nan 8.270 nan 0.000 0.422 371 Q N 0.436 119.973 119.800 -0.438 0.000 1.965 371 Q HA -0.139 4.200 4.340 -0.002 0.000 0.200 371 Q C 1.857 177.646 176.000 -0.351 0.000 0.981 371 Q CA 1.498 57.061 55.803 -0.400 0.000 0.834 371 Q CB -0.092 28.283 28.738 -0.604 0.000 0.900 371 Q HN 0.266 nan 8.270 nan 0.000 0.426 372 I N 0.670 120.994 120.570 -0.410 0.000 2.130 372 I HA -0.202 3.967 4.170 -0.002 0.000 0.234 372 I C 1.975 177.825 176.117 -0.445 0.000 1.067 372 I CA 1.584 62.672 61.300 -0.354 0.000 1.339 372 I CB -1.710 36.106 38.000 -0.308 0.000 1.073 372 I HN 0.379 nan 8.210 nan 0.000 0.405 373 N N -0.623 117.625 118.700 -0.755 0.000 2.223 373 N HA -0.199 4.540 4.740 -0.002 0.000 0.185 373 N C 1.628 176.702 175.510 -0.728 0.000 1.016 373 N CA 1.303 53.795 53.050 -0.931 0.000 0.863 373 N CB 0.054 37.408 38.487 -1.888 0.000 0.983 373 N HN 0.386 nan 8.380 nan 0.000 0.429 374 W N 0.538 121.306 121.300 -0.886 0.000 3.203 374 W HA 0.398 5.057 4.660 -0.002 0.000 0.255 374 W C 2.494 178.791 176.519 -0.371 0.000 0.959 374 W CA -0.132 56.690 57.345 -0.871 0.000 2.066 374 W CB -1.465 27.451 29.460 -0.907 0.000 1.143 374 W HN -0.112 nan 8.180 nan 0.000 0.595 375 A N 1.508 124.309 122.820 -0.033 0.000 1.884 375 A HA -0.256 4.062 4.320 -0.002 0.000 0.219 375 A C 1.688 179.233 177.584 -0.065 0.000 1.197 375 A CA 2.396 54.408 52.037 -0.041 0.000 0.637 375 A CB -1.114 17.845 19.000 -0.068 0.000 0.827 375 A HN 0.345 nan 8.150 nan 0.000 0.450 376 N N 0.177 118.811 118.700 -0.111 0.000 2.515 376 N HA -0.047 4.692 4.740 -0.002 0.000 0.185 376 N C 0.125 175.591 175.510 -0.073 0.000 1.109 376 N CA 0.257 53.249 53.050 -0.097 0.000 0.903 376 N CB -0.395 38.022 38.487 -0.118 0.000 0.969 376 N HN 0.439 nan 8.380 nan 0.000 0.450 377 N N 1.091 119.753 118.700 -0.063 0.000 2.437 377 N HA 0.203 4.942 4.740 -0.002 0.000 0.243 377 N C 0.681 176.206 175.510 0.026 0.000 1.041 377 N CA -0.138 52.903 53.050 -0.015 0.000 0.940 377 N CB 1.196 39.677 38.487 -0.011 0.000 1.133 377 N HN 0.002 nan 8.380 nan 0.000 0.506 378 A N 4.136 126.965 122.820 0.015 0.000 1.940 378 A HA -0.148 4.170 4.320 -0.002 0.000 0.219 378 A C 1.291 178.887 177.584 0.020 0.000 1.176 378 A CA 1.158 53.203 52.037 0.013 0.000 0.631 378 A CB -0.177 18.828 19.000 0.008 0.000 0.814 378 A HN 0.730 nan 8.150 nan 0.000 0.446 379 N N -1.282 117.452 118.700 0.057 0.000 2.413 379 N HA 0.159 4.898 4.740 -0.002 0.000 0.207 379 N C -0.813 174.716 175.510 0.032 0.000 1.206 379 N CA 0.255 53.352 53.050 0.080 0.000 0.832 379 N CB -0.145 38.445 38.487 0.173 0.000 1.037 379 N HN 0.503 nan 8.380 nan 0.000 0.467 380 F N 1.098 120.907 119.950 -0.236 0.000 2.540 380 F HA 0.456 4.982 4.527 -0.002 0.000 0.317 380 F C -2.473 173.089 175.800 -0.397 0.000 1.104 380 F CA -2.461 55.236 58.000 -0.505 0.000 0.913 380 F CB 2.064 40.711 39.000 -0.588 0.000 1.170 380 F HN -0.171 nan 8.300 nan 0.000 0.450 381 P HA 0.004 nan 4.420 nan 0.000 0.267 381 P C -0.777 175.866 177.300 -1.096 0.000 1.200 381 P CA 0.324 62.208 63.100 -2.028 0.000 0.772 381 P CB 0.251 31.177 31.700 -1.291 0.000 0.855 382 F N 0.275 119.800 119.950 -0.708 0.000 2.444 382 F HA 0.091 4.617 4.527 -0.002 0.000 0.331 382 F C 1.221 176.829 175.800 -0.321 0.000 1.167 382 F CA -0.186 57.621 58.000 -0.321 0.000 1.262 382 F CB -0.723 38.197 39.000 -0.134 0.000 1.196 382 F HN 0.417 nan 8.300 nan 0.000 0.583 383 S N 0.360 116.073 115.700 0.020 0.000 3.336 383 S HA -0.217 4.252 4.470 -0.002 0.000 0.362 383 S C -0.555 173.937 174.600 -0.180 0.000 0.941 383 S CA 0.109 58.267 58.200 -0.070 0.000 1.297 383 S CB -1.754 61.423 63.200 -0.037 0.000 0.915 383 S HN 0.534 nan 8.310 nan 0.000 0.527 384 K N 0.620 120.854 120.400 -0.275 0.000 2.203 384 K HA 0.472 4.791 4.320 -0.002 0.000 0.251 384 K C -1.733 174.776 176.600 -0.152 0.000 0.944 384 K CA -2.497 53.541 56.287 -0.414 0.000 0.829 384 K CB 0.988 32.840 32.500 -1.079 0.000 1.125 384 K HN 0.013 nan 8.250 nan 0.000 0.430 385 P HA -0.089 nan 4.420 nan 0.000 0.217 385 P C 0.042 177.402 177.300 0.100 0.000 1.148 385 P CA 1.199 64.341 63.100 0.069 0.000 0.828 385 P CB 0.292 32.066 31.700 0.122 0.000 0.783 386 I N -2.236 118.458 120.570 0.207 0.000 2.646 386 I HA 0.161 4.330 4.170 -0.002 0.000 0.299 386 I C 0.268 176.476 176.117 0.152 0.000 1.036 386 I CA -0.927 60.481 61.300 0.180 0.000 1.074 386 I CB 0.995 39.117 38.000 0.205 0.000 1.258 386 I HN -0.355 nan 8.210 nan 0.000 0.430 387 T N 7.565 122.169 114.554 0.085 0.000 2.817 387 T HA 0.101 4.450 4.350 -0.002 0.000 0.295 387 T C -1.433 173.319 174.700 0.088 0.000 0.958 387 T CA -0.420 61.708 62.100 0.047 0.000 1.157 387 T CB 0.678 69.564 68.868 0.030 0.000 0.898 387 T HN 0.426 nan 8.240 nan 0.000 0.536 388 P HA 0.010 nan 4.420 nan 0.000 0.213 388 P C 0.936 178.264 177.300 0.046 0.000 1.170 388 P CA 1.530 64.677 63.100 0.079 0.000 0.902 388 P CB -0.111 31.554 31.700 -0.058 0.000 0.789 389 G N -1.744 107.066 108.800 0.017 0.000 2.500 389 G HA2 -0.109 3.850 3.960 -0.002 0.000 0.209 389 G HA3 -0.109 3.850 3.960 -0.002 0.000 0.209 389 G C -1.157 173.738 174.900 -0.007 0.000 1.283 389 G CA -0.733 44.373 45.100 0.010 0.000 0.960 389 G HN 0.094 nan 8.290 nan 0.000 0.528 390 I N 1.377 121.935 120.570 -0.020 0.000 2.315 390 I HA 0.301 4.469 4.170 -0.002 0.000 0.291 390 I C 0.915 176.997 176.117 -0.058 0.000 1.006 390 I CA -1.000 60.276 61.300 -0.041 0.000 1.265 390 I CB 1.198 39.166 38.000 -0.053 0.000 1.387 390 I HN 0.578 nan 8.210 nan 0.000 0.475 391 E N 9.728 129.894 120.200 -0.058 0.000 2.752 391 E HA -0.078 4.271 4.350 -0.002 0.000 0.241 391 E C -1.456 175.076 176.600 -0.115 0.000 1.016 391 E CA -0.916 55.441 56.400 -0.072 0.000 0.952 391 E CB 0.873 30.550 29.700 -0.039 0.000 0.921 391 E HN 0.334 nan 8.360 nan 0.000 0.515 392 P HA -0.198 nan 4.420 nan 0.000 0.216 392 P C 1.295 178.469 177.300 -0.210 0.000 1.150 392 P CA 0.971 63.964 63.100 -0.179 0.000 0.843 392 P CB 0.289 31.877 31.700 -0.188 0.000 0.787 393 I N -0.054 120.339 120.570 -0.295 0.000 2.277 393 I HA -0.096 4.073 4.170 -0.002 0.000 0.243 393 I C 2.358 178.312 176.117 -0.272 0.000 1.094 393 I CA 1.302 62.384 61.300 -0.363 0.000 1.393 393 I CB -0.841 36.687 38.000 -0.786 0.000 1.078 393 I HN -0.017 nan 8.210 nan 0.000 0.417 394 I N -3.056 117.388 120.570 -0.210 0.000 4.240 394 I HA 0.473 4.642 4.170 -0.002 0.000 0.331 394 I C 1.109 177.141 176.117 -0.142 0.000 1.381 394 I CA -0.367 60.807 61.300 -0.210 0.000 1.136 394 I CB -0.375 37.512 38.000 -0.190 0.000 1.137 394 I HN -0.012 nan 8.210 nan 0.000 0.411 395 G N 1.456 110.187 108.800 -0.116 0.000 2.380 395 G HA2 0.218 4.177 3.960 -0.002 0.000 0.242 395 G HA3 0.218 4.177 3.960 -0.002 0.000 0.242 395 G C 0.114 174.950 174.900 -0.107 0.000 1.298 395 G CA -0.125 44.915 45.100 -0.100 0.000 0.878 395 G HN 0.496 nan 8.290 nan 0.000 0.542 396 Q N 0.441 120.188 119.800 -0.089 0.000 2.189 396 Q HA 0.061 4.400 4.340 -0.002 0.000 0.223 396 Q C 0.581 176.540 176.000 -0.069 0.000 0.828 396 Q CA -0.003 55.754 55.803 -0.077 0.000 0.967 396 Q CB 0.740 29.448 28.738 -0.050 0.000 1.139 396 Q HN 0.574 nan 8.270 nan 0.000 0.497 397 T N 2.089 116.602 114.554 -0.069 0.000 2.930 397 T HA 0.133 4.482 4.350 -0.002 0.000 0.306 397 T C 0.334 174.999 174.700 -0.059 0.000 1.045 397 T CA 0.311 62.375 62.100 -0.059 0.000 1.134 397 T CB 0.870 69.706 68.868 -0.054 0.000 0.961 397 T HN 0.221 nan 8.240 nan 0.000 0.545 398 T N 1.405 115.928 114.554 -0.052 0.000 2.885 398 T HA 0.635 4.984 4.350 -0.002 0.000 0.285 398 T C -2.505 172.171 174.700 -0.040 0.000 1.019 398 T CA -1.811 60.258 62.100 -0.052 0.000 1.010 398 T CB 1.143 69.979 68.868 -0.053 0.000 1.022 398 T HN 0.420 nan 8.240 nan 0.000 0.466 399 P HA 0.254 nan 4.420 nan 0.000 0.271 399 P C -0.535 176.737 177.300 -0.047 0.000 1.216 399 P CA -0.557 62.519 63.100 -0.041 0.000 0.771 399 P CB 0.651 32.333 31.700 -0.029 0.000 0.864 400 R N 1.724 122.184 120.500 -0.067 0.000 3.688 400 R HA 0.204 4.542 4.340 -0.002 0.000 0.194 400 R C -0.127 176.142 176.300 -0.052 0.000 1.677 400 R CA 0.084 56.136 56.100 -0.081 0.000 1.351 400 R CB -0.508 29.712 30.300 -0.133 0.000 1.338 400 R HN 0.437 nan 8.270 nan 0.000 0.731 401 T N 1.220 115.759 114.554 -0.024 0.000 2.770 401 T HA 0.264 4.613 4.350 -0.002 0.000 0.283 401 T C -0.633 174.081 174.700 0.023 0.000 0.988 401 T CA -0.486 61.622 62.100 0.013 0.000 0.957 401 T CB 1.971 70.846 68.868 0.013 0.000 0.930 401 T HN 0.114 nan 8.240 nan 0.000 0.443 402 V N 3.049 122.998 119.914 0.058 0.000 2.604 402 V HA 0.918 5.037 4.120 -0.002 0.000 0.305 402 V C 0.057 176.224 176.094 0.121 0.000 1.043 402 V CA -0.241 62.087 62.300 0.047 0.000 0.888 402 V CB 1.728 33.541 31.823 -0.018 0.000 0.995 402 V HN 0.977 nan 8.190 nan 0.000 0.429 403 G N 2.895 111.748 108.800 0.088 0.000 2.489 403 G HA2 0.610 4.568 3.960 -0.002 0.000 0.327 403 G HA3 0.610 4.568 3.960 -0.002 0.000 0.327 403 G C 0.683 175.612 174.900 0.049 0.000 1.189 403 G CA -0.213 44.958 45.100 0.119 0.000 0.962 403 G HN 1.991 nan 8.290 nan 0.000 0.486 404 G N -0.799 108.034 108.800 0.055 0.000 2.175 404 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.244 404 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.244 404 G C 1.327 176.165 174.900 -0.104 0.000 0.982 404 G CA 0.500 45.562 45.100 -0.064 0.000 0.641 404 G HN 0.624 nan 8.290 nan 0.000 0.527 405 L N 0.262 121.421 121.223 -0.107 0.000 2.012 405 L HA 0.021 4.360 4.340 -0.002 0.000 0.210 405 L C 1.348 178.099 176.870 -0.198 0.000 1.073 405 L CA 1.649 56.291 54.840 -0.331 0.000 0.748 405 L CB -0.367 41.160 42.059 -0.886 0.000 0.891 405 L HN 0.290 nan 8.230 nan 0.000 0.431 406 D N 0.873 121.307 120.400 0.058 0.000 2.336 406 D HA 0.056 4.695 4.640 -0.002 0.000 0.249 406 D C -1.496 174.851 176.300 0.077 0.000 1.213 406 D CA -1.811 52.261 54.000 0.119 0.000 0.870 406 D CB 1.646 42.577 40.800 0.219 0.000 1.076 406 D HN 0.016 nan 8.370 nan 0.000 0.483 407 P HA -0.147 nan 4.420 nan 0.000 0.218 407 P C 1.748 179.085 177.300 0.062 0.000 1.148 407 P CA 0.751 63.895 63.100 0.074 0.000 0.822 407 P CB 0.610 32.410 31.700 0.167 0.000 0.784 408 L N 0.512 121.785 121.223 0.083 0.000 1.960 408 L HA -0.042 4.297 4.340 -0.002 0.000 0.209 408 L C 1.411 178.305 176.870 0.040 0.000 1.090 408 L CA 1.275 56.148 54.840 0.056 0.000 0.759 408 L CB -1.275 40.819 42.059 0.059 0.000 0.892 408 L HN 0.059 nan 8.230 nan 0.000 0.436 409 N N 0.786 119.513 118.700 0.045 0.000 2.868 409 N HA 0.026 4.765 4.740 -0.002 0.000 0.252 409 N C 0.432 175.963 175.510 0.036 0.000 1.130 409 N CA -0.121 52.946 53.050 0.029 0.000 1.026 409 N CB 1.226 39.723 38.487 0.016 0.000 1.335 409 N HN 0.405 nan 8.380 nan 0.000 0.516 410 Q N 1.199 121.012 119.800 0.022 0.000 2.096 410 Q HA -0.171 4.168 4.340 -0.002 0.000 0.204 410 Q C 0.878 176.894 176.000 0.027 0.000 0.982 410 Q CA 1.673 57.483 55.803 0.012 0.000 0.850 410 Q CB -0.153 28.565 28.738 -0.034 0.000 0.901 410 Q HN 0.555 nan 8.270 nan 0.000 0.422 411 N N 0.995 119.706 118.700 0.018 0.000 2.334 411 N HA -0.153 4.586 4.740 -0.002 0.000 0.187 411 N C 0.132 175.646 175.510 0.008 0.000 1.016 411 N CA 0.556 53.617 53.050 0.017 0.000 0.879 411 N CB -0.066 38.426 38.487 0.007 0.000 0.965 411 N HN 0.289 nan 8.380 nan 0.000 0.438 412 E N 0.672 120.870 120.200 -0.003 0.000 2.452 412 E HA -0.016 4.333 4.350 -0.002 0.000 0.261 412 E C -0.293 176.282 176.600 -0.042 0.000 0.987 412 E CA 0.137 56.489 56.400 -0.080 0.000 0.926 412 E CB 0.444 30.065 29.700 -0.131 0.000 0.934 412 E HN 0.250 nan 8.360 nan 0.000 0.452 413 T N 1.210 115.678 114.554 -0.143 0.000 2.950 413 T HA 0.621 4.969 4.350 -0.002 0.000 0.288 413 T C -0.507 174.087 174.700 -0.178 0.000 1.035 413 T CA -0.812 61.294 62.100 0.009 0.000 1.028 413 T CB 0.707 69.587 68.868 0.020 0.000 1.109 413 T HN 0.352 nan 8.240 nan 0.000 0.514 414 F N -0.266 119.687 119.950 0.004 0.000 2.561 414 F HA 0.454 4.980 4.527 -0.002 0.000 0.313 414 F C 0.292 176.108 175.800 0.027 0.000 1.126 414 F CA -1.045 56.978 58.000 0.039 0.000 0.918 414 F CB 2.669 41.717 39.000 0.081 0.000 1.199 414 F HN 0.492 nan 8.300 nan 0.000 0.444 415 T N 3.682 118.351 114.554 0.191 0.000 2.762 415 T HA 0.428 4.777 4.350 -0.002 0.000 0.303 415 T C -0.232 174.502 174.700 0.056 0.000 0.977 415 T CA -0.386 61.761 62.100 0.079 0.000 0.961 415 T CB 0.413 69.299 68.868 0.030 0.000 0.944 415 T HN 0.238 nan 8.240 nan 0.000 0.481 416 V N 7.488 127.362 119.914 -0.066 0.000 2.567 416 V HA 0.350 4.468 4.120 -0.002 0.000 0.289 416 V C -2.061 173.756 176.094 -0.463 0.000 1.049 416 V CA -2.157 59.940 62.300 -0.338 0.000 0.969 416 V CB 1.044 32.666 31.823 -0.336 0.000 0.995 416 V HN 0.628 nan 8.190 nan 0.000 0.471 417 P HA 0.242 nan 4.420 nan 0.000 0.279 417 P C -0.678 175.929 177.300 -1.154 0.000 1.239 417 P CA -0.603 62.047 63.100 -0.750 0.000 0.789 417 P CB 0.610 31.913 31.700 -0.661 0.000 0.933 418 L N 3.692 124.498 121.223 -0.696 0.000 2.433 418 L HA 0.184 4.523 4.340 -0.002 0.000 0.275 418 L C -0.115 176.422 176.870 -0.555 0.000 1.128 418 L CA 0.607 55.121 54.840 -0.543 0.000 0.875 418 L CB -0.899 40.994 42.059 -0.277 0.000 1.171 418 L HN 0.298 nan 8.230 nan 0.000 0.463 419 F N 4.322 124.241 119.950 -0.051 0.000 2.721 419 F HA 0.251 4.777 4.527 -0.002 0.000 0.301 419 F C 0.574 176.443 175.800 0.115 0.000 1.096 419 F CA -0.259 57.779 58.000 0.064 0.000 1.308 419 F CB 0.025 39.078 39.000 0.090 0.000 1.086 419 F HN 0.134 nan 8.300 nan 0.000 0.587 420 V N 3.079 123.047 119.914 0.090 0.000 2.347 420 V HA 0.336 4.455 4.120 -0.002 0.000 0.280 420 V C -0.082 175.944 176.094 -0.113 0.000 1.021 420 V CA -0.696 61.554 62.300 -0.084 0.000 0.847 420 V CB 1.701 33.321 31.823 -0.339 0.000 0.990 420 V HN -0.013 nan 8.190 nan 0.000 0.444 421 I N 7.035 127.583 120.570 -0.037 0.000 2.382 421 I HA 0.359 4.527 4.170 -0.002 0.000 0.285 421 I C -2.551 173.586 176.117 0.034 0.000 1.007 421 I CA -2.139 59.160 61.300 -0.002 0.000 1.142 421 I CB 2.443 40.439 38.000 -0.006 0.000 1.289 421 I HN 0.372 nan 8.210 nan 0.000 0.453 422 P HA 0.041 nan 4.420 nan 0.000 0.265 422 P C -0.025 177.043 177.300 -0.386 0.000 1.222 422 P CA -0.030 63.032 63.100 -0.063 0.000 0.767 422 P CB 0.492 32.253 31.700 0.100 0.000 0.801 423 K N 1.947 121.940 120.400 -0.678 0.000 2.358 423 K HA 0.406 4.725 4.320 -0.002 0.000 0.200 423 K C 0.891 176.924 176.600 -0.944 0.000 1.030 423 K CA 0.101 55.967 56.287 -0.701 0.000 1.097 423 K CB 0.726 32.723 32.500 -0.839 0.000 0.862 423 K HN 0.680 nan 8.250 nan 0.000 0.534 424 G N -0.622 107.245 108.800 -1.555 0.000 2.350 424 G HA2 0.398 4.357 3.960 -0.002 0.000 0.305 424 G HA3 0.398 4.357 3.960 -0.002 0.000 0.305 424 G C -0.954 172.851 174.900 -1.825 0.000 1.479 424 G CA -0.333 43.537 45.100 -2.050 0.000 0.949 424 G HN 0.253 nan 8.290 nan 0.000 0.651 425 G N -1.048 106.910 108.800 -1.404 0.000 2.495 425 G HA2 0.842 4.801 3.960 -0.002 0.000 0.294 425 G HA3 0.842 4.801 3.960 -0.002 0.000 0.294 425 G C -1.647 173.260 174.900 0.012 0.000 1.397 425 G CA 0.595 45.359 45.100 -0.560 0.000 0.790 425 G HN 1.319 nan 8.290 nan 0.000 0.486 426 E N -1.921 118.273 120.200 -0.010 0.000 2.403 426 E HA 0.577 4.925 4.350 -0.002 0.000 0.280 426 E C -2.214 174.180 176.600 -0.342 0.000 1.101 426 E CA -0.739 55.522 56.400 -0.232 0.000 0.856 426 E CB 0.977 30.487 29.700 -0.317 0.000 1.303 426 E HN 0.419 nan 8.360 nan 0.000 0.441 427 Y N 1.489 121.647 120.300 -0.237 0.000 2.331 427 Y HA 0.632 5.181 4.550 -0.002 0.000 0.338 427 Y C -0.404 175.536 175.900 0.067 0.000 0.992 427 Y CA -0.682 57.441 58.100 0.039 0.000 1.121 427 Y CB 0.808 39.418 38.460 0.250 0.000 1.184 427 Y HN 0.321 nan 8.280 nan 0.000 0.469 428 F N 2.584 122.978 119.950 0.739 0.000 2.598 428 F HA 0.570 5.096 4.527 -0.002 0.000 0.327 428 F C -0.896 175.276 175.800 0.619 0.000 1.057 428 F CA -1.381 57.041 58.000 0.703 0.000 0.957 428 F CB 1.602 40.834 39.000 0.387 0.000 1.278 428 F HN 0.258 nan 8.300 nan 0.000 0.484 429 F N 2.252 122.496 119.950 0.491 0.000 2.493 429 F HA 0.703 5.228 4.527 -0.002 0.000 0.329 429 F C -1.702 174.157 175.800 0.098 0.000 1.126 429 F CA -1.095 56.863 58.000 -0.069 0.000 0.937 429 F CB 1.086 39.797 39.000 -0.483 0.000 1.146 429 F HN 0.169 nan 8.300 nan 0.000 0.442 430 L N 8.594 129.374 121.223 -0.738 0.000 2.277 430 L HA 0.519 4.858 4.340 -0.002 0.000 0.284 430 L C -2.309 174.080 176.870 -0.802 0.000 1.028 430 L CA -1.723 52.821 54.840 -0.492 0.000 0.835 430 L CB 0.993 42.882 42.059 -0.283 0.000 1.215 430 L HN 0.459 nan 8.230 nan 0.000 0.425 431 P HA 0.241 nan 4.420 nan 0.000 0.274 431 P C -0.511 176.742 177.300 -0.077 0.000 1.256 431 P CA -0.668 62.372 63.100 -0.101 0.000 0.795 431 P CB 0.654 32.585 31.700 0.385 0.000 1.038 432 S N -0.102 115.602 115.700 0.008 0.000 2.579 432 S HA 0.120 4.589 4.470 -0.002 0.000 0.275 432 S C 1.433 176.048 174.600 0.024 0.000 1.345 432 S CA -0.281 57.909 58.200 -0.017 0.000 1.031 432 S CB -0.438 62.772 63.200 0.017 0.000 0.892 432 S HN 0.295 nan 8.310 nan 0.000 0.529 433 I N 1.953 122.519 120.570 -0.007 0.000 2.248 433 I HA -0.255 3.914 4.170 -0.002 0.000 0.248 433 I C 2.871 179.011 176.117 0.038 0.000 1.107 433 I CA 1.792 63.100 61.300 0.014 0.000 1.373 433 I CB -0.745 37.247 38.000 -0.013 0.000 1.055 433 I HN 0.942 nan 8.210 nan 0.000 0.418 434 S N 1.215 116.936 115.700 0.035 0.000 2.383 434 S HA -0.116 4.353 4.470 -0.002 0.000 0.227 434 S C 2.242 176.881 174.600 0.065 0.000 1.026 434 S CA 0.801 59.025 58.200 0.041 0.000 0.981 434 S CB -0.505 62.716 63.200 0.036 0.000 0.818 434 S HN 0.405 nan 8.310 nan 0.000 0.472 435 A N 2.007 124.892 122.820 0.108 0.000 1.972 435 A HA 0.148 4.467 4.320 -0.002 0.000 0.219 435 A C 2.283 179.923 177.584 0.093 0.000 1.169 435 A CA 1.294 53.421 52.037 0.149 0.000 0.635 435 A CB -0.895 18.304 19.000 0.332 0.000 0.810 435 A HN 0.562 nan 8.150 nan 0.000 0.446 436 L N -0.219 121.076 121.223 0.119 0.000 2.079 436 L HA -0.207 4.132 4.340 -0.002 0.000 0.210 436 L C 2.886 179.802 176.870 0.076 0.000 1.081 436 L CA 1.942 56.866 54.840 0.139 0.000 0.752 436 L CB -0.617 41.544 42.059 0.170 0.000 0.896 436 L HN 0.711 nan 8.230 nan 0.000 0.433 437 T N -4.516 110.065 114.554 0.045 0.000 3.046 437 T HA 0.168 4.516 4.350 -0.002 0.000 0.242 437 T C 1.881 176.573 174.700 -0.013 0.000 1.018 437 T CA 0.440 62.549 62.100 0.014 0.000 1.131 437 T CB -0.103 68.772 68.868 0.013 0.000 0.904 437 T HN 0.186 nan 8.240 nan 0.000 0.459 438 A N 1.277 124.092 122.820 -0.007 0.000 2.015 438 A HA 0.132 4.451 4.320 -0.002 0.000 0.219 438 A C 2.265 179.805 177.584 -0.074 0.000 1.163 438 A CA 1.787 53.811 52.037 -0.022 0.000 0.646 438 A CB -0.802 18.203 19.000 0.007 0.000 0.806 438 A HN 0.569 nan 8.150 nan 0.000 0.448 439 T N -1.484 112.992 114.554 -0.129 0.000 3.174 439 T HA 0.163 4.511 4.350 -0.002 0.000 0.252 439 T C 1.557 176.065 174.700 -0.319 0.000 0.984 439 T CA 0.542 62.462 62.100 -0.299 0.000 1.113 439 T CB -0.257 68.264 68.868 -0.578 0.000 1.088 439 T HN 0.153 nan 8.240 nan 0.000 0.442 440 I N 2.626 123.036 120.570 -0.266 0.000 2.133 440 I HA 0.039 4.208 4.170 -0.002 0.000 0.238 440 I C 2.694 178.756 176.117 -0.092 0.000 1.074 440 I CA 1.238 62.408 61.300 -0.216 0.000 1.342 440 I CB -0.839 37.071 38.000 -0.149 0.000 1.053 440 I HN 0.262 nan 8.210 nan 0.000 0.404 441 A N 0.343 123.140 122.820 -0.038 0.000 2.168 441 A HA 0.333 4.651 4.320 -0.002 0.000 0.215 441 A C 1.684 179.246 177.584 -0.036 0.000 1.152 441 A CA 0.755 52.779 52.037 -0.021 0.000 0.716 441 A CB -0.994 17.995 19.000 -0.019 0.000 0.794 441 A HN 0.338 nan 8.150 nan 0.000 0.465 442 A N 0.000 122.783 122.820 -0.062 0.000 2.254 442 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 442 A CA 0.000 52.002 52.037 -0.059 0.000 0.836 442 A CB 0.000 18.952 19.000 -0.080 0.000 0.831 442 A HN 0.000 nan 8.150 nan 0.000 0.486