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 1q79_1_A DATA FIRST_RESID 19 DATA SEQUENCE HYGITSPISL AAPKETDXLL TQKLVETLKP FGVFEEEEEL QRRILILGKL DATA SEQUENCE NNLVKEWIRE ISESKNLPQS VIENVGGKIF TFGSYRLGVH TKGADIDALC DATA SEQUENCE VAPRHVDRSD FFTSFYDKLK LQEEVKDLRA VEEAFVPVIK LXFDGIEIDI DATA SEQUENCE LFARLALQTI PEDLDLRDDS LLKNLDIRXI RSLNGCRVTD EILHLVPNID DATA SEQUENCE NFRLTLRAIK LWAKRHNIYS NILGFLGGVS WAMLVARTCQ LYPNAIASTL DATA SEQUENCE VHKFFLVFSK WEWPNPVLLK QPEECNLNLP VWDPRVNPSD RYHLMPIITP DATA SEQUENCE AYPQQNSTYN VSVSTRMVMV EEFKQGLAIT DEILLSKAEW SKLFEAPNFF DATA SEQUENCE QKYKHYIVLL ASAPTEKQRL EWVGLVESKI RILVGSLEKN EFITLAHVNP DATA SEQUENCE QSFPAPKENP DKEEFRTMWV IGLVFKXXXX XXXXXXDLTY DIQSFTDTVY DATA SEQUENCE RQAINSKMFE VDMKIAAMHV KRKQLHQLLP 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 19 H HA 0.000 nan 4.556 nan 0.000 0.296 19 H C 0.000 175.241 175.328 -0.145 0.000 0.993 19 H CA 0.000 56.011 56.048 -0.062 0.000 1.023 19 H CB 0.000 29.777 29.762 0.025 0.000 1.292 20 Y N 0.309 120.610 120.300 0.002 0.000 2.387 20 Y HA 0.563 5.113 4.550 0.001 0.000 0.330 20 Y C 1.301 177.204 175.900 0.004 0.000 1.133 20 Y CA 1.015 59.086 58.100 -0.048 0.000 1.152 20 Y CB 1.682 40.150 38.460 0.013 0.000 1.215 20 Y HN 1.193 nan 8.280 nan 0.000 0.466 21 G N 0.969 109.840 108.800 0.118 0.000 2.612 21 G HA2 -0.155 3.805 3.960 0.001 0.000 0.686 21 G HA3 -0.155 3.805 3.960 0.001 0.000 0.686 21 G C 0.051 174.993 174.900 0.071 0.000 1.274 21 G CA -0.456 44.719 45.100 0.126 0.000 0.849 21 G HN 1.054 nan 8.290 nan 0.000 0.595 22 I N -1.531 119.099 120.570 0.101 0.000 3.684 22 I HA 0.377 4.548 4.170 0.001 0.000 0.304 22 I C 0.916 177.100 176.117 0.111 0.000 1.278 22 I CA 0.924 62.275 61.300 0.086 0.000 1.272 22 I CB -0.393 37.659 38.000 0.087 0.000 1.029 22 I HN 0.912 nan 8.210 nan 0.000 0.458 23 T N -2.558 112.093 114.554 0.162 0.000 2.864 23 T HA 0.482 4.832 4.350 0.001 0.000 0.299 23 T C -0.085 174.715 174.700 0.166 0.000 1.166 23 T CA -0.618 61.558 62.100 0.127 0.000 1.007 23 T CB 1.747 70.633 68.868 0.031 0.000 1.219 23 T HN 0.067 nan 8.240 nan 0.000 0.506 24 S N 2.938 118.611 115.700 -0.044 0.000 2.584 24 S HA 0.424 4.895 4.470 0.001 0.000 0.270 24 S C -2.005 172.432 174.600 -0.271 0.000 1.346 24 S CA -0.698 57.276 58.200 -0.376 0.000 1.018 24 S CB 0.019 63.050 63.200 -0.282 0.000 0.899 24 S HN 0.759 nan 8.310 nan 0.000 0.542 25 P HA 0.214 nan 4.420 nan 0.000 0.274 25 P C 0.633 177.764 177.300 -0.281 0.000 1.246 25 P CA -0.488 62.466 63.100 -0.244 0.000 0.795 25 P CB 0.469 32.055 31.700 -0.191 0.000 1.006 26 I N -0.813 119.506 120.570 -0.418 0.000 2.233 26 I HA -0.040 4.131 4.170 0.001 0.000 0.243 26 I C 1.427 177.387 176.117 -0.262 0.000 1.093 26 I CA 1.656 62.735 61.300 -0.370 0.000 1.380 26 I CB -0.963 36.730 38.000 -0.511 0.000 1.067 26 I HN 0.373 nan 8.210 nan 0.000 0.413 27 S N -0.540 114.970 115.700 -0.316 0.000 2.536 27 S HA 0.542 5.013 4.470 0.001 0.000 0.271 27 S C -0.015 174.571 174.600 -0.025 0.000 1.134 27 S CA -0.622 57.534 58.200 -0.073 0.000 0.897 27 S CB 1.476 64.745 63.200 0.115 0.000 1.094 27 S HN 0.120 nan 8.310 nan 0.000 0.473 28 L N 2.728 123.956 121.223 0.008 0.000 2.640 28 L HA 0.453 4.793 4.340 0.001 0.000 0.230 28 L C 1.242 178.149 176.870 0.062 0.000 1.123 28 L CA -0.145 54.714 54.840 0.030 0.000 0.900 28 L CB -0.199 41.866 42.059 0.010 0.000 1.146 28 L HN 0.762 nan 8.230 nan 0.000 0.484 29 A N 1.127 123.993 122.820 0.077 0.000 2.565 29 A HA 0.444 4.765 4.320 0.001 0.000 0.237 29 A C 0.619 178.255 177.584 0.087 0.000 1.053 29 A CA 0.383 52.466 52.037 0.078 0.000 0.755 29 A CB 0.119 19.170 19.000 0.084 0.000 0.980 29 A HN 0.291 nan 8.150 nan 0.000 0.506 30 A N 3.773 126.634 122.820 0.067 0.000 2.252 30 A HA 0.786 5.106 4.320 0.001 0.000 0.305 30 A C -1.802 175.818 177.584 0.060 0.000 1.097 30 A CA -1.459 50.617 52.037 0.065 0.000 0.849 30 A CB -0.134 18.897 19.000 0.052 0.000 1.142 30 A HN 0.790 nan 8.150 nan 0.000 0.499 31 P HA 0.345 nan 4.420 nan 0.000 0.274 31 P C -0.976 176.349 177.300 0.042 0.000 1.256 31 P CA -0.183 62.948 63.100 0.052 0.000 0.795 31 P CB 0.652 32.384 31.700 0.053 0.000 1.038 32 K N 0.051 120.474 120.400 0.038 0.000 2.185 32 K HA 0.231 4.551 4.320 0.001 0.000 0.240 32 K C 1.333 177.953 176.600 0.032 0.000 0.983 32 K CA -0.678 55.628 56.287 0.031 0.000 0.873 32 K CB 1.193 33.709 32.500 0.026 0.000 1.118 32 K HN 0.333 nan 8.250 nan 0.000 0.441 33 E N 0.370 120.587 120.200 0.028 0.000 2.219 33 E HA -0.200 4.151 4.350 0.001 0.000 0.198 33 E C 1.284 177.903 176.600 0.033 0.000 0.998 33 E CA 1.461 57.878 56.400 0.028 0.000 0.818 33 E CB -0.063 29.651 29.700 0.023 0.000 0.741 33 E HN 0.526 nan 8.360 nan 0.000 0.477 34 T N 1.298 115.870 114.554 0.029 0.000 2.746 34 T HA -0.105 4.246 4.350 0.001 0.000 0.267 34 T C 0.747 175.475 174.700 0.046 0.000 1.039 34 T CA 0.947 63.065 62.100 0.030 0.000 1.142 34 T CB -0.154 68.725 68.868 0.018 0.000 0.866 34 T HN 0.165 nan 8.240 nan 0.000 0.444 38 L N 0.563 121.879 121.223 0.155 0.000 2.093 38 L HA -0.121 4.220 4.340 0.001 0.000 0.208 38 L C 2.307 179.375 176.870 0.330 0.000 1.085 38 L CA 1.904 56.917 54.840 0.287 0.000 0.755 38 L CB -0.282 41.941 42.059 0.272 0.000 0.904 38 L HN 0.290 nan 8.230 nan 0.000 0.435 39 T N -1.517 113.138 114.554 0.169 0.000 2.857 39 T HA -0.220 4.130 4.350 0.001 0.000 0.266 39 T C 1.759 176.469 174.700 0.016 0.000 1.048 39 T CA 1.087 63.221 62.100 0.057 0.000 1.139 39 T CB -0.021 68.870 68.868 0.038 0.000 0.874 39 T HN 0.175 nan 8.240 nan 0.000 0.455 40 Q N 1.349 121.179 119.800 0.051 0.000 2.167 40 Q HA 0.025 4.366 4.340 0.001 0.000 0.202 40 Q C 2.067 178.098 176.000 0.051 0.000 0.970 40 Q CA 1.530 57.352 55.803 0.033 0.000 0.855 40 Q CB -0.126 28.633 28.738 0.036 0.000 0.911 40 Q HN 0.352 nan 8.270 nan 0.000 0.438 41 K N -0.453 120.020 120.400 0.121 0.000 2.155 41 K HA -0.101 4.219 4.320 0.001 0.000 0.203 41 K C 1.912 178.586 176.600 0.123 0.000 1.052 41 K CA 0.965 57.368 56.287 0.193 0.000 0.948 41 K CB -0.178 32.527 32.500 0.342 0.000 0.728 41 K HN 0.220 nan 8.250 nan 0.000 0.448 42 L N 0.994 122.123 121.223 -0.156 0.000 2.046 42 L HA -0.145 4.196 4.340 0.001 0.000 0.208 42 L C 1.975 178.724 176.870 -0.202 0.000 1.077 42 L CA 1.447 55.918 54.840 -0.615 0.000 0.747 42 L CB -0.349 41.114 42.059 -0.993 0.000 0.896 42 L HN -0.153 nan 8.230 nan 0.000 0.432 43 V N 0.003 119.871 119.914 -0.078 0.000 2.343 43 V HA -0.228 3.892 4.120 0.001 0.000 0.247 43 V C 2.669 178.811 176.094 0.080 0.000 1.051 43 V CA 1.824 64.155 62.300 0.051 0.000 1.036 43 V CB -0.712 31.110 31.823 -0.001 0.000 0.654 43 V HN 0.473 nan 8.190 nan 0.000 0.451 44 E N -0.055 120.175 120.200 0.049 0.000 2.106 44 E HA -0.145 4.205 4.350 0.001 0.000 0.192 44 E C 2.312 178.978 176.600 0.111 0.000 0.984 44 E CA 1.633 58.072 56.400 0.065 0.000 0.806 44 E CB -0.591 29.148 29.700 0.064 0.000 0.750 44 E HN 0.574 nan 8.360 nan 0.000 0.458 45 T N 1.507 116.148 114.554 0.145 0.000 2.915 45 T HA -0.008 4.343 4.350 0.001 0.000 0.269 45 T C 2.041 176.878 174.700 0.228 0.000 1.071 45 T CA 0.552 62.790 62.100 0.229 0.000 1.132 45 T CB -0.030 69.049 68.868 0.351 0.000 0.878 45 T HN 0.075 nan 8.240 nan 0.000 0.479 46 L N 0.240 121.520 121.223 0.097 0.000 2.179 46 L HA 0.054 4.395 4.340 0.001 0.000 0.208 46 L C 2.554 179.534 176.870 0.185 0.000 1.096 46 L CA 0.929 55.774 54.840 0.007 0.000 0.779 46 L CB -0.370 41.577 42.059 -0.186 0.000 0.922 46 L HN 0.148 nan 8.230 nan 0.000 0.443 47 K N 0.390 120.943 120.400 0.255 0.000 2.059 47 K HA -0.208 4.113 4.320 0.001 0.000 0.212 47 K C -0.301 176.364 176.600 0.108 0.000 1.050 47 K CA 1.758 58.186 56.287 0.234 0.000 0.927 47 K CB -1.288 31.279 32.500 0.111 0.000 0.714 47 K HN 0.269 nan 8.250 nan 0.000 0.447 48 P HA -0.128 nan 4.420 nan 0.000 0.221 48 P C 0.657 177.830 177.300 -0.211 0.000 1.145 48 P CA 1.108 64.134 63.100 -0.124 0.000 0.795 48 P CB 0.017 31.586 31.700 -0.219 0.000 0.775 49 F N -1.481 118.415 119.950 -0.089 0.000 2.710 49 F HA 0.242 4.769 4.527 0.000 0.000 0.298 49 F C 1.816 177.538 175.800 -0.129 0.000 1.137 49 F CA 0.897 58.819 58.000 -0.129 0.000 1.444 49 F CB -0.689 38.183 39.000 -0.214 0.000 1.111 49 F HN -0.036 nan 8.300 nan 0.000 0.580 50 G N 0.480 109.310 108.800 0.050 0.000 2.137 50 G HA2 -0.295 3.665 3.960 0.001 0.000 0.237 50 G HA3 -0.295 3.665 3.960 0.001 0.000 0.237 50 G C 0.982 175.843 174.900 -0.066 0.000 1.002 50 G CA 0.467 45.567 45.100 0.001 0.000 0.702 50 G HN 0.497 nan 8.290 nan 0.000 0.515 51 V N -3.515 116.311 119.914 -0.147 0.000 3.217 51 V HA 0.491 4.612 4.120 0.001 0.000 0.264 51 V C 1.001 176.832 176.094 -0.439 0.000 1.135 51 V CA 0.708 62.795 62.300 -0.354 0.000 1.142 51 V CB -0.508 30.982 31.823 -0.554 0.000 0.754 51 V HN 0.325 nan 8.190 nan 0.000 0.484 52 F N 1.416 121.286 119.950 -0.133 0.000 2.388 52 F HA 0.552 5.079 4.527 0.000 0.000 0.358 52 F C 0.524 176.248 175.800 -0.127 0.000 1.122 52 F CA -1.205 56.714 58.000 -0.135 0.000 1.056 52 F CB 1.088 40.028 39.000 -0.100 0.000 1.155 52 F HN 0.069 nan 8.300 nan 0.000 0.461 53 E N 2.569 122.769 120.200 0.001 0.000 2.383 53 E HA 0.061 4.411 4.350 0.001 0.000 0.264 53 E C -0.225 176.401 176.600 0.043 0.000 1.050 53 E CA -0.632 55.758 56.400 -0.017 0.000 0.896 53 E CB 0.720 30.376 29.700 -0.074 0.000 0.982 53 E HN 0.426 nan 8.360 nan 0.000 0.424 54 E N 2.882 123.104 120.200 0.037 0.000 2.392 54 E HA -0.062 4.288 4.350 0.001 0.000 0.264 54 E C 0.788 177.412 176.600 0.041 0.000 1.024 54 E CA 0.056 56.474 56.400 0.030 0.000 0.903 54 E CB 0.758 30.471 29.700 0.021 0.000 0.963 54 E HN 0.512 nan 8.360 nan 0.000 0.432 55 E N 2.283 122.498 120.200 0.026 0.000 2.097 55 E HA -0.255 4.096 4.350 0.001 0.000 0.196 55 E C 1.681 178.306 176.600 0.041 0.000 1.000 55 E CA 1.264 57.683 56.400 0.033 0.000 0.804 55 E CB 0.044 29.751 29.700 0.012 0.000 0.740 55 E HN 0.649 nan 8.360 nan 0.000 0.454 56 E N 0.478 120.696 120.200 0.031 0.000 2.118 56 E HA -0.199 4.152 4.350 0.001 0.000 0.195 56 E C 1.898 178.525 176.600 0.045 0.000 0.992 56 E CA 1.033 57.452 56.400 0.031 0.000 0.804 56 E CB 0.188 29.901 29.700 0.021 0.000 0.741 56 E HN 0.058 nan 8.360 nan 0.000 0.458 57 E N 0.367 120.599 120.200 0.054 0.000 2.107 57 E HA -0.122 4.228 4.350 0.001 0.000 0.191 57 E C 2.258 178.919 176.600 0.102 0.000 0.982 57 E CA 0.589 57.031 56.400 0.069 0.000 0.809 57 E CB -0.140 29.603 29.700 0.071 0.000 0.756 57 E HN 0.393 nan 8.360 nan 0.000 0.459 58 L N 0.777 122.076 121.223 0.126 0.000 2.042 58 L HA -0.216 4.125 4.340 0.001 0.000 0.210 58 L C 2.817 179.762 176.870 0.125 0.000 1.076 58 L CA 1.322 56.267 54.840 0.175 0.000 0.749 58 L CB -0.415 41.742 42.059 0.163 0.000 0.893 58 L HN 0.189 nan 8.230 nan 0.000 0.432 59 Q N 0.341 120.191 119.800 0.083 0.000 2.079 59 Q HA -0.248 4.093 4.340 0.001 0.000 0.200 59 Q C 2.369 178.400 176.000 0.051 0.000 0.974 59 Q CA 1.459 57.299 55.803 0.061 0.000 0.840 59 Q CB 0.051 28.815 28.738 0.044 0.000 0.898 59 Q HN 0.346 nan 8.270 nan 0.000 0.430 60 R N -0.072 120.458 120.500 0.050 0.000 2.091 60 R HA -0.121 4.220 4.340 0.001 0.000 0.238 60 R C 2.409 178.722 176.300 0.022 0.000 1.136 60 R CA 1.677 57.801 56.100 0.040 0.000 0.959 60 R CB 0.025 30.351 30.300 0.042 0.000 0.856 60 R HN 0.213 nan 8.270 nan 0.000 0.437 61 R N -0.114 120.397 120.500 0.018 0.000 2.096 61 R HA -0.087 4.254 4.340 0.001 0.000 0.235 61 R C 2.195 178.461 176.300 -0.057 0.000 1.127 61 R CA 1.068 57.132 56.100 -0.060 0.000 0.968 61 R CB -0.221 30.021 30.300 -0.098 0.000 0.861 61 R HN 0.227 nan 8.270 nan 0.000 0.440 62 I N 1.132 121.720 120.570 0.030 0.000 2.226 62 I HA -0.246 3.924 4.170 0.001 0.000 0.245 62 I C 2.277 178.392 176.117 -0.004 0.000 1.100 62 I CA 1.476 62.801 61.300 0.041 0.000 1.374 62 I CB -0.809 37.230 38.000 0.065 0.000 1.057 62 I HN 0.213 nan 8.210 nan 0.000 0.413 63 L N 0.004 121.227 121.223 0.000 0.000 2.093 63 L HA -0.187 4.154 4.340 0.001 0.000 0.208 63 L C 2.565 179.411 176.870 -0.040 0.000 1.085 63 L CA 1.171 56.010 54.840 -0.002 0.000 0.755 63 L CB -0.418 41.655 42.059 0.024 0.000 0.904 63 L HN 0.146 nan 8.230 nan 0.000 0.435 64 I N -0.175 120.347 120.570 -0.080 0.000 2.226 64 I HA -0.318 3.853 4.170 0.001 0.000 0.245 64 I C 2.444 178.352 176.117 -0.348 0.000 1.100 64 I CA 1.398 62.555 61.300 -0.237 0.000 1.374 64 I CB -0.204 37.652 38.000 -0.241 0.000 1.057 64 I HN 0.237 nan 8.210 nan 0.000 0.413 65 L N 0.339 121.429 121.223 -0.222 0.000 2.083 65 L HA -0.132 4.209 4.340 0.001 0.000 0.209 65 L C 2.645 179.445 176.870 -0.116 0.000 1.083 65 L CA 1.441 56.176 54.840 -0.174 0.000 0.752 65 L CB -0.967 41.033 42.059 -0.098 0.000 0.899 65 L HN 0.311 nan 8.230 nan 0.000 0.433 66 G N -0.177 108.575 108.800 -0.080 0.000 2.418 66 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 66 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 66 G C 1.688 176.566 174.900 -0.037 0.000 1.158 66 G CA 0.467 45.543 45.100 -0.040 0.000 0.771 66 G HN 0.277 nan 8.290 nan 0.000 0.545 67 K N -0.144 120.218 120.400 -0.063 0.000 2.026 67 K HA 0.068 4.388 4.320 0.001 0.000 0.208 67 K C 2.528 179.107 176.600 -0.035 0.000 1.048 67 K CA 0.803 57.076 56.287 -0.023 0.000 0.929 67 K CB -0.330 32.184 32.500 0.025 0.000 0.713 67 K HN 0.243 nan 8.250 nan 0.000 0.439 68 L N 1.052 122.178 121.223 -0.161 0.000 2.042 68 L HA -0.240 4.100 4.340 0.001 0.000 0.210 68 L C 2.285 179.191 176.870 0.059 0.000 1.076 68 L CA 1.180 55.977 54.840 -0.072 0.000 0.749 68 L CB -0.511 41.450 42.059 -0.162 0.000 0.893 68 L HN 0.252 nan 8.230 nan 0.000 0.432 69 N N 0.406 119.116 118.700 0.016 0.000 2.120 69 N HA -0.197 4.544 4.740 0.001 0.000 0.188 69 N C 1.514 177.069 175.510 0.076 0.000 1.024 69 N CA 1.639 54.712 53.050 0.039 0.000 0.852 69 N CB -0.125 38.357 38.487 -0.008 0.000 1.003 69 N HN 0.310 nan 8.380 nan 0.000 0.424 70 N N -0.680 118.061 118.700 0.069 0.000 2.188 70 N HA -0.022 4.719 4.740 0.001 0.000 0.184 70 N C 1.465 177.060 175.510 0.141 0.000 1.018 70 N CA 0.523 53.626 53.050 0.087 0.000 0.858 70 N CB 0.031 38.559 38.487 0.067 0.000 0.989 70 N HN 0.212 nan 8.380 nan 0.000 0.426 71 L N 0.375 121.701 121.223 0.171 0.000 2.056 71 L HA -0.118 4.222 4.340 0.001 0.000 0.207 71 L C 2.197 179.314 176.870 0.411 0.000 1.078 71 L CA 0.720 55.710 54.840 0.250 0.000 0.749 71 L CB -0.352 41.837 42.059 0.218 0.000 0.901 71 L HN 0.061 nan 8.230 nan 0.000 0.433 72 V N 0.029 120.176 119.914 0.389 0.000 2.295 72 V HA -0.302 3.819 4.120 0.001 0.000 0.246 72 V C 2.503 178.799 176.094 0.338 0.000 1.049 72 V CA 1.786 64.322 62.300 0.393 0.000 1.024 72 V CB -0.427 31.522 31.823 0.209 0.000 0.648 72 V HN 0.404 nan 8.190 nan 0.000 0.447 73 K N -0.262 120.264 120.400 0.210 0.000 2.032 73 K HA -0.262 4.058 4.320 0.001 0.000 0.209 73 K C 2.244 178.939 176.600 0.159 0.000 1.048 73 K CA 1.968 58.340 56.287 0.143 0.000 0.927 73 K CB -0.232 32.325 32.500 0.096 0.000 0.712 73 K HN 0.585 nan 8.250 nan 0.000 0.441 74 E N 0.093 120.412 120.200 0.198 0.000 2.051 74 E HA -0.242 4.108 4.350 0.001 0.000 0.192 74 E C 1.892 178.646 176.600 0.257 0.000 0.991 74 E CA 1.349 57.864 56.400 0.192 0.000 0.799 74 E CB -0.179 29.633 29.700 0.186 0.000 0.748 74 E HN 0.425 nan 8.360 nan 0.000 0.449 75 W N 1.442 122.835 121.300 0.156 0.000 2.355 75 W HA -0.144 4.517 4.660 0.001 0.000 0.309 75 W C 1.830 178.428 176.519 0.131 0.000 1.206 75 W CA 1.616 59.069 57.345 0.180 0.000 1.284 75 W CB -0.478 29.177 29.460 0.324 0.000 1.145 75 W HN 0.066 nan 8.180 nan 0.000 0.502 76 I N 0.541 121.043 120.570 -0.113 0.000 2.394 76 I HA -0.274 3.896 4.170 0.001 0.000 0.251 76 I C 2.777 178.814 176.117 -0.134 0.000 1.136 76 I CA 1.621 62.711 61.300 -0.351 0.000 1.425 76 I CB -0.674 37.205 38.000 -0.202 0.000 1.079 76 I HN 0.019 nan 8.210 nan 0.000 0.425 77 R N 1.309 121.801 120.500 -0.014 0.000 2.073 77 R HA -0.194 4.147 4.340 0.001 0.000 0.234 77 R C 2.097 178.404 176.300 0.011 0.000 1.134 77 R CA 1.724 57.836 56.100 0.018 0.000 0.952 77 R CB -0.107 30.221 30.300 0.046 0.000 0.850 77 R HN 0.374 nan 8.270 nan 0.000 0.433 78 E N 0.313 120.529 120.200 0.027 0.000 2.058 78 E HA -0.204 4.147 4.350 0.001 0.000 0.194 78 E C 2.055 178.658 176.600 0.004 0.000 0.997 78 E CA 1.316 57.741 56.400 0.042 0.000 0.801 78 E CB -0.059 29.706 29.700 0.109 0.000 0.746 78 E HN 0.318 nan 8.360 nan 0.000 0.450 79 I N 1.144 121.666 120.570 -0.080 0.000 2.163 79 I HA -0.243 3.928 4.170 0.001 0.000 0.243 79 I C 2.337 178.454 176.117 0.001 0.000 1.085 79 I CA 1.254 62.505 61.300 -0.083 0.000 1.347 79 I CB -1.208 36.627 38.000 -0.275 0.000 1.044 79 I HN 0.012 nan 8.210 nan 0.000 0.408 80 S N 0.489 116.202 115.700 0.022 0.000 2.370 80 S HA -0.215 4.255 4.470 0.001 0.000 0.226 80 S C 1.855 176.432 174.600 -0.038 0.000 1.033 80 S CA 1.433 59.637 58.200 0.007 0.000 1.011 80 S CB -0.260 62.960 63.200 0.034 0.000 0.852 80 S HN 0.511 nan 8.310 nan 0.000 0.457 81 E N 1.187 121.380 120.200 -0.012 0.000 2.047 81 E HA -0.105 4.246 4.350 0.001 0.000 0.191 81 E C 2.374 178.972 176.600 -0.003 0.000 0.987 81 E CA 1.338 57.733 56.400 -0.008 0.000 0.799 81 E CB -0.228 29.476 29.700 0.008 0.000 0.752 81 E HN 0.624 nan 8.360 nan 0.000 0.449 82 S N 0.817 116.523 115.700 0.010 0.000 2.500 82 S HA -0.110 4.360 4.470 0.001 0.000 0.239 82 S C 1.469 176.075 174.600 0.011 0.000 0.989 82 S CA 0.926 59.137 58.200 0.018 0.000 0.951 82 S CB -0.092 63.129 63.200 0.035 0.000 0.759 82 S HN 0.076 nan 8.310 nan 0.000 0.523 83 K N 0.746 121.143 120.400 -0.005 0.000 2.493 83 K HA 0.258 4.578 4.320 0.001 0.000 0.207 83 K C -0.344 176.235 176.600 -0.036 0.000 1.033 83 K CA -0.095 56.183 56.287 -0.015 0.000 1.161 83 K CB -0.103 32.385 32.500 -0.020 0.000 0.873 83 K HN 0.306 nan 8.250 nan 0.000 0.491 84 N N 1.071 119.754 118.700 -0.028 0.000 2.644 84 N HA -0.223 4.518 4.740 0.001 0.000 0.248 84 N C -0.567 174.913 175.510 -0.050 0.000 1.150 84 N CA 0.623 53.655 53.050 -0.030 0.000 0.727 84 N CB -1.296 37.180 38.487 -0.019 0.000 1.091 84 N HN 0.277 nan 8.380 nan 0.000 0.556 85 L N 0.728 121.901 121.223 -0.084 0.000 2.506 85 L HA 0.090 4.431 4.340 0.001 0.000 0.281 85 L C -1.161 175.661 176.870 -0.079 0.000 1.228 85 L CA -1.171 53.598 54.840 -0.117 0.000 0.850 85 L CB -0.118 41.811 42.059 -0.217 0.000 1.110 85 L HN 0.030 nan 8.230 nan 0.000 0.496 86 P HA -0.124 nan 4.420 nan 0.000 0.264 86 P C -0.058 177.217 177.300 -0.042 0.000 1.183 86 P CA -0.045 63.028 63.100 -0.046 0.000 0.763 86 P CB 0.623 32.299 31.700 -0.040 0.000 0.807 87 Q N 2.058 121.841 119.800 -0.028 0.000 2.443 87 Q HA -0.107 4.234 4.340 0.001 0.000 0.213 87 Q C 1.528 177.517 176.000 -0.018 0.000 0.982 87 Q CA 1.354 57.145 55.803 -0.020 0.000 0.894 87 Q CB -0.237 28.494 28.738 -0.011 0.000 0.947 87 Q HN 0.463 nan 8.270 nan 0.000 0.480 88 S N -0.593 115.094 115.700 -0.021 0.000 2.344 88 S HA -0.123 4.347 4.470 0.001 0.000 0.217 88 S C 2.049 176.639 174.600 -0.017 0.000 1.033 88 S CA 1.517 59.707 58.200 -0.016 0.000 1.017 88 S CB -0.445 62.744 63.200 -0.018 0.000 0.941 88 S HN 0.233 nan 8.310 nan 0.000 0.430 89 V N 2.503 122.399 119.914 -0.030 0.000 2.307 89 V HA -0.127 3.993 4.120 0.001 0.000 0.245 89 V C 2.150 178.232 176.094 -0.019 0.000 1.045 89 V CA 1.336 63.619 62.300 -0.029 0.000 1.024 89 V CB -0.905 30.880 31.823 -0.064 0.000 0.651 89 V HN 0.420 nan 8.190 nan 0.000 0.449 90 I N 0.201 120.751 120.570 -0.032 0.000 2.229 90 I HA -0.307 3.863 4.170 0.001 0.000 0.250 90 I C 2.552 178.672 176.117 0.005 0.000 1.096 90 I CA 1.612 62.902 61.300 -0.015 0.000 1.358 90 I CB -0.423 37.565 38.000 -0.019 0.000 1.047 90 I HN 0.381 nan 8.210 nan 0.000 0.422 91 E N 0.375 120.577 120.200 0.003 0.000 2.347 91 E HA -0.102 4.248 4.350 0.001 0.000 0.196 91 E C 0.727 177.335 176.600 0.014 0.000 1.008 91 E CA 0.831 57.236 56.400 0.009 0.000 0.852 91 E CB -0.208 29.496 29.700 0.006 0.000 0.783 91 E HN 0.584 nan 8.360 nan 0.000 0.505 92 N N -0.968 117.741 118.700 0.015 0.000 2.194 92 N HA -0.019 4.721 4.740 0.001 0.000 0.231 92 N C 1.357 176.885 175.510 0.030 0.000 1.247 92 N CA 0.152 53.214 53.050 0.020 0.000 0.884 92 N CB 1.036 39.532 38.487 0.015 0.000 1.146 92 N HN -0.065 nan 8.380 nan 0.000 0.516 93 V N -1.945 117.993 119.914 0.040 0.000 2.469 93 V HA 0.047 4.167 4.120 0.001 0.000 0.251 93 V C 1.662 177.781 176.094 0.042 0.000 1.064 93 V CA 1.341 63.681 62.300 0.066 0.000 1.066 93 V CB -1.532 30.357 31.823 0.111 0.000 0.667 93 V HN 0.330 nan 8.190 nan 0.000 0.461 94 G N 0.301 109.120 108.800 0.033 0.000 2.550 94 G HA2 0.261 4.221 3.960 0.001 0.000 0.277 94 G HA3 0.261 4.221 3.960 0.001 0.000 0.277 94 G C 0.720 175.634 174.900 0.024 0.000 1.190 94 G CA 0.335 45.451 45.100 0.027 0.000 0.971 94 G HN 2.615 nan 8.290 nan 0.000 0.559 95 G N -1.361 107.455 108.800 0.027 0.000 2.770 95 G HA2 0.617 4.577 3.960 0.001 0.000 0.686 95 G HA3 0.617 4.577 3.960 0.001 0.000 0.686 95 G C -0.632 174.294 174.900 0.042 0.000 1.180 95 G CA 0.676 45.797 45.100 0.036 0.000 0.767 95 G HN 2.373 nan 8.290 nan 0.000 0.646 96 K N 0.384 120.818 120.400 0.055 0.000 2.617 96 K HA 0.780 5.101 4.320 0.001 0.000 0.293 96 K C -1.058 175.552 176.600 0.018 0.000 1.034 96 K CA -1.322 54.958 56.287 -0.013 0.000 0.884 96 K CB 1.280 33.683 32.500 -0.162 0.000 1.541 96 K HN 0.457 nan 8.250 nan 0.000 0.409 97 I N 1.646 122.183 120.570 -0.055 0.000 2.359 97 I HA 0.369 4.539 4.170 0.001 0.000 0.294 97 I C -0.957 175.112 176.117 -0.080 0.000 0.987 97 I CA -0.554 60.763 61.300 0.029 0.000 1.225 97 I CB 0.676 38.698 38.000 0.036 0.000 1.366 97 I HN 0.533 nan 8.210 nan 0.000 0.466 98 F N 3.730 123.734 119.950 0.091 0.000 2.449 98 F HA 0.317 4.844 4.527 0.001 0.000 0.342 98 F C 0.878 176.805 175.800 0.212 0.000 1.127 98 F CA -0.651 57.421 58.000 0.120 0.000 0.975 98 F CB 1.796 40.849 39.000 0.088 0.000 1.146 98 F HN 0.407 nan 8.300 nan 0.000 0.444 99 T N 1.039 115.799 114.554 0.343 0.000 2.899 99 T HA 0.761 5.111 4.350 0.001 0.000 0.284 99 T C -0.548 174.406 174.700 0.422 0.000 1.004 99 T CA -0.354 61.936 62.100 0.315 0.000 1.043 99 T CB 1.306 70.338 68.868 0.272 0.000 1.013 99 T HN 0.457 nan 8.240 nan 0.000 0.518 100 F N -1.778 118.275 119.950 0.171 0.000 3.016 100 F HA 0.834 5.362 4.527 0.001 0.000 0.324 100 F C 0.479 176.364 175.800 0.142 0.000 1.196 100 F CA -0.499 57.586 58.000 0.141 0.000 0.929 100 F CB 0.516 39.585 39.000 0.114 0.000 1.440 100 F HN 1.165 nan 8.300 nan 0.000 0.505 101 G N 0.871 109.824 108.800 0.255 0.000 2.598 101 G HA2 -0.132 3.829 3.960 0.001 0.000 0.244 101 G HA3 -0.132 3.829 3.960 0.001 0.000 0.244 101 G C 0.799 175.764 174.900 0.109 0.000 1.302 101 G CA 1.204 46.375 45.100 0.119 0.000 0.903 101 G HN 2.063 nan 8.290 nan 0.000 0.575 102 S N -1.232 114.531 115.700 0.105 0.000 2.370 102 S HA -0.232 4.238 4.470 0.001 0.000 0.226 102 S C 2.098 176.780 174.600 0.137 0.000 1.033 102 S CA 2.501 60.783 58.200 0.136 0.000 1.011 102 S CB -0.539 62.754 63.200 0.155 0.000 0.852 102 S HN 1.580 nan 8.310 nan 0.000 0.457 103 Y N 3.004 123.275 120.300 -0.048 0.000 2.145 103 Y HA -0.071 4.479 4.550 0.001 0.000 0.286 103 Y C 2.694 178.539 175.900 -0.092 0.000 1.145 103 Y CA 2.035 59.994 58.100 -0.234 0.000 1.148 103 Y CB -0.594 37.648 38.460 -0.363 0.000 0.981 103 Y HN 0.266 nan 8.280 nan 0.000 0.507 104 R N 0.725 121.160 120.500 -0.107 0.000 2.096 104 R HA -0.087 4.253 4.340 0.001 0.000 0.235 104 R C 1.951 178.219 176.300 -0.054 0.000 1.127 104 R CA 1.845 57.883 56.100 -0.103 0.000 0.968 104 R CB -0.981 29.378 30.300 0.097 0.000 0.861 104 R HN 0.540 nan 8.270 nan 0.000 0.440 105 L N -0.840 120.406 121.223 0.038 0.000 2.376 105 L HA 0.157 4.497 4.340 0.001 0.000 0.219 105 L C 1.188 178.095 176.870 0.063 0.000 1.133 105 L CA 0.782 55.691 54.840 0.114 0.000 0.816 105 L CB -0.280 41.890 42.059 0.185 0.000 0.933 105 L HN 0.605 nan 8.230 nan 0.000 0.449 106 G N 0.187 108.989 108.800 0.003 0.000 2.137 106 G HA2 -0.252 3.708 3.960 0.001 0.000 0.237 106 G HA3 -0.252 3.708 3.960 0.001 0.000 0.237 106 G C 0.598 175.547 174.900 0.081 0.000 1.002 106 G CA 0.337 45.462 45.100 0.041 0.000 0.702 106 G HN 0.341 nan 8.290 nan 0.000 0.515 107 V N -1.624 118.343 119.914 0.088 0.000 3.276 107 V HA 0.407 4.527 4.120 0.001 0.000 0.319 107 V C 1.093 177.169 176.094 -0.030 0.000 1.427 107 V CA 0.120 62.394 62.300 -0.043 0.000 1.102 107 V CB -0.663 31.101 31.823 -0.098 0.000 1.020 107 V HN 0.793 nan 8.190 nan 0.000 0.456 108 H N 1.214 120.279 119.070 -0.009 0.000 2.852 108 H HA 0.495 5.051 4.556 0.001 0.000 0.362 108 H C 0.128 175.452 175.328 -0.007 0.000 1.122 108 H CA 0.682 56.746 56.048 0.026 0.000 1.419 108 H CB 0.793 30.628 29.762 0.123 0.000 1.401 108 H HN 0.503 nan 8.280 nan 0.000 0.609 109 T N -0.559 113.939 114.554 -0.093 0.000 2.938 109 T HA 0.386 4.737 4.350 0.001 0.000 0.285 109 T C -0.077 174.590 174.700 -0.056 0.000 1.028 109 T CA -1.344 60.664 62.100 -0.153 0.000 1.005 109 T CB 1.287 70.075 68.868 -0.133 0.000 1.157 109 T HN 0.559 nan 8.240 nan 0.000 0.550 110 K N 0.710 121.077 120.400 -0.054 0.000 2.472 110 K HA 0.375 4.696 4.320 0.001 0.000 0.280 110 K C 1.265 177.869 176.600 0.007 0.000 1.028 110 K CA 0.826 57.110 56.287 -0.005 0.000 1.045 110 K CB -0.042 32.450 32.500 -0.013 0.000 0.902 110 K HN 1.067 nan 8.250 nan 0.000 0.478 111 G N 1.228 110.047 108.800 0.031 0.000 2.213 111 G HA2 -0.258 3.703 3.960 0.001 0.000 0.226 111 G HA3 -0.258 3.703 3.960 0.001 0.000 0.226 111 G C 0.204 175.126 174.900 0.036 0.000 0.992 111 G CA -0.148 44.967 45.100 0.024 0.000 0.632 111 G HN 0.845 nan 8.290 nan 0.000 0.511 112 A N 0.917 123.774 122.820 0.063 0.000 2.371 112 A HA 0.573 4.894 4.320 0.001 0.000 0.257 112 A C 0.708 178.322 177.584 0.050 0.000 1.089 112 A CA 0.636 52.717 52.037 0.073 0.000 0.794 112 A CB 0.290 19.368 19.000 0.130 0.000 1.029 112 A HN 0.846 nan 8.150 nan 0.000 0.488 113 D N 0.375 120.788 120.400 0.022 0.000 2.414 113 D HA 0.386 5.027 4.640 0.001 0.000 0.259 113 D C -0.343 175.906 176.300 -0.085 0.000 1.269 113 D CA -0.257 53.730 54.000 -0.022 0.000 1.028 113 D CB 0.386 41.182 40.800 -0.007 0.000 1.093 113 D HN 0.322 nan 8.370 nan 0.000 0.545 114 I N -0.067 120.416 120.570 -0.146 0.000 2.410 114 I HA 0.173 4.343 4.170 0.001 0.000 0.286 114 I C -0.716 175.280 176.117 -0.202 0.000 1.009 114 I CA -0.866 60.285 61.300 -0.248 0.000 1.111 114 I CB 1.592 39.348 38.000 -0.406 0.000 1.262 114 I HN 0.144 nan 8.210 nan 0.000 0.443 115 D N 6.916 127.133 120.400 -0.304 0.000 2.280 115 D HA 0.558 5.199 4.640 0.001 0.000 0.243 115 D C -0.372 175.677 176.300 -0.419 0.000 1.129 115 D CA -0.014 53.684 54.000 -0.504 0.000 0.848 115 D CB 2.409 42.529 40.800 -1.134 0.000 1.107 115 D HN 0.561 nan 8.370 nan 0.000 0.471 116 A N 2.248 125.072 122.820 0.006 0.000 2.435 116 A HA 0.564 4.884 4.320 0.001 0.000 0.304 116 A C -1.353 176.486 177.584 0.426 0.000 1.064 116 A CA -0.763 51.421 52.037 0.246 0.000 0.727 116 A CB 1.712 20.790 19.000 0.131 0.000 1.284 116 A HN 0.429 nan 8.150 nan 0.000 0.415 117 L N 2.206 123.678 121.223 0.415 0.000 2.325 117 L HA 0.624 4.964 4.340 0.001 0.000 0.281 117 L C -0.429 176.553 176.870 0.187 0.000 1.004 117 L CA -0.431 54.555 54.840 0.243 0.000 0.823 117 L CB 1.113 43.235 42.059 0.105 0.000 1.236 117 L HN 0.825 nan 8.230 nan 0.000 0.415 118 C N 6.260 125.609 119.300 0.082 0.000 2.373 118 C HA 0.660 5.120 4.460 0.001 0.000 0.354 118 C C -0.033 174.919 174.990 -0.063 0.000 1.249 118 C CA -0.481 58.577 59.018 0.067 0.000 1.784 118 C CB -0.485 27.300 27.740 0.075 0.000 2.408 118 C HN 0.632 nan 8.230 nan 0.000 0.542 119 V N 7.100 127.031 119.914 0.029 0.000 2.347 119 V HA 0.718 4.839 4.120 0.001 0.000 0.280 119 V C 0.657 176.711 176.094 -0.067 0.000 1.021 119 V CA 0.058 62.306 62.300 -0.085 0.000 0.847 119 V CB 0.931 32.790 31.823 0.059 0.000 0.990 119 V HN 1.124 nan 8.190 nan 0.000 0.444 120 A N 7.953 130.654 122.820 -0.197 0.000 2.384 120 A HA 1.013 5.334 4.320 0.001 0.000 0.312 120 A C -2.790 174.676 177.584 -0.196 0.000 1.113 120 A CA -1.974 49.979 52.037 -0.140 0.000 0.779 120 A CB 1.919 20.895 19.000 -0.040 0.000 1.307 120 A HN 0.576 nan 8.150 nan 0.000 0.436 121 P HA 0.144 nan 4.420 nan 0.000 0.273 121 P C 0.264 177.395 177.300 -0.281 0.000 1.250 121 P CA -0.231 62.732 63.100 -0.228 0.000 0.793 121 P CB 0.749 32.321 31.700 -0.212 0.000 1.011 122 R N 1.038 121.456 120.500 -0.138 0.000 2.105 122 R HA -0.186 4.154 4.340 0.001 0.000 0.239 122 R C 2.228 178.500 176.300 -0.046 0.000 1.135 122 R CA 1.839 57.900 56.100 -0.065 0.000 0.967 122 R CB -1.552 28.753 30.300 0.008 0.000 0.861 122 R HN 0.622 nan 8.270 nan 0.000 0.442 123 H N -1.817 117.245 119.070 -0.013 0.000 2.567 123 H HA 0.080 4.636 4.556 0.001 0.000 0.276 123 H C -0.331 174.987 175.328 -0.017 0.000 1.016 123 H CA 0.225 56.265 56.048 -0.013 0.000 1.186 123 H CB -0.380 29.365 29.762 -0.029 0.000 1.351 123 H HN -0.051 nan 8.280 nan 0.000 0.605 124 V N 3.272 123.046 119.914 -0.232 0.000 2.350 124 V HA 0.096 4.217 4.120 0.001 0.000 0.276 124 V C -0.249 175.906 176.094 0.102 0.000 1.028 124 V CA -0.703 61.519 62.300 -0.131 0.000 0.860 124 V CB 1.535 33.193 31.823 -0.276 0.000 0.990 124 V HN 0.199 nan 8.190 nan 0.000 0.453 125 D N 3.399 123.868 120.400 0.115 0.000 2.312 125 D HA 0.351 4.992 4.640 0.001 0.000 0.248 125 D C 1.171 177.554 176.300 0.138 0.000 1.086 125 D CA -0.568 53.532 54.000 0.166 0.000 0.948 125 D CB 1.295 42.171 40.800 0.126 0.000 1.162 125 D HN 0.296 nan 8.370 nan 0.000 0.446 126 R N 0.250 120.869 120.500 0.197 0.000 2.096 126 R HA -0.123 4.218 4.340 0.001 0.000 0.235 126 R C 2.047 178.455 176.300 0.180 0.000 1.127 126 R CA 1.415 57.582 56.100 0.112 0.000 0.968 126 R CB -0.200 30.286 30.300 0.311 0.000 0.861 126 R HN 0.496 nan 8.270 nan 0.000 0.440 127 S N 0.844 116.664 115.700 0.201 0.000 2.419 127 S HA -0.143 4.328 4.470 0.001 0.000 0.233 127 S C 1.343 176.065 174.600 0.203 0.000 1.016 127 S CA 1.317 59.645 58.200 0.213 0.000 0.974 127 S CB -0.122 63.165 63.200 0.144 0.000 0.786 127 S HN 0.212 nan 8.310 nan 0.000 0.492 128 D N 0.878 121.395 120.400 0.196 0.000 2.117 128 D HA -0.012 4.629 4.640 0.001 0.000 0.198 128 D C 1.536 178.044 176.300 0.348 0.000 0.982 128 D CA 0.845 55.028 54.000 0.306 0.000 0.828 128 D CB -0.506 40.504 40.800 0.350 0.000 0.967 128 D HN 0.457 nan 8.370 nan 0.000 0.464 129 F N 1.116 121.027 119.950 -0.064 0.000 2.091 129 F HA -0.224 4.303 4.527 0.001 0.000 0.299 129 F C 1.769 177.315 175.800 -0.424 0.000 1.103 129 F CA 1.309 58.991 58.000 -0.530 0.000 1.228 129 F CB -0.484 37.782 39.000 -1.223 0.000 0.984 129 F HN -0.171 nan 8.300 nan 0.000 0.477 130 F N 0.101 120.014 119.950 -0.062 0.000 2.811 130 F HA 0.044 4.571 4.527 0.001 0.000 0.301 130 F C 2.029 177.753 175.800 -0.127 0.000 1.151 130 F CA 0.978 58.889 58.000 -0.149 0.000 1.412 130 F CB -0.812 38.148 39.000 -0.067 0.000 1.113 130 F HN 0.127 nan 8.300 nan 0.000 0.579 131 T N -4.756 109.847 114.554 0.082 0.000 3.447 131 T HA 0.017 4.368 4.350 0.001 0.000 0.218 131 T C 2.132 176.891 174.700 0.099 0.000 0.972 131 T CA 0.590 62.745 62.100 0.090 0.000 1.264 131 T CB -0.771 68.164 68.868 0.112 0.000 1.284 131 T HN 0.057 nan 8.240 nan 0.000 0.361 132 S N 1.361 117.160 115.700 0.164 0.000 2.368 132 S HA 0.010 4.480 4.470 0.001 0.000 0.224 132 S C 1.822 176.401 174.600 -0.035 0.000 1.029 132 S CA 0.763 59.074 58.200 0.186 0.000 0.988 132 S CB -1.028 62.425 63.200 0.422 0.000 0.838 132 S HN 0.351 nan 8.310 nan 0.000 0.462 133 F N 1.814 121.414 119.950 -0.583 0.000 2.113 133 F HA 0.008 4.535 4.527 0.001 0.000 0.297 133 F C 2.259 177.692 175.800 -0.612 0.000 1.103 133 F CA 0.776 58.097 58.000 -1.133 0.000 1.248 133 F CB -0.954 36.878 39.000 -1.947 0.000 0.999 133 F HN 0.220 nan 8.300 nan 0.000 0.475 134 Y N 1.348 121.275 120.300 -0.621 0.000 2.081 134 Y HA -0.313 4.237 4.550 0.001 0.000 0.280 134 Y C 2.279 177.948 175.900 -0.385 0.000 1.163 134 Y CA 2.380 60.175 58.100 -0.509 0.000 1.135 134 Y CB -0.708 37.574 38.460 -0.298 0.000 0.970 134 Y HN 0.066 nan 8.280 nan 0.000 0.498 135 D N -0.033 120.295 120.400 -0.119 0.000 2.219 135 D HA -0.164 4.477 4.640 0.001 0.000 0.205 135 D C 2.057 178.218 176.300 -0.230 0.000 0.970 135 D CA 1.265 55.190 54.000 -0.126 0.000 0.851 135 D CB -0.276 40.531 40.800 0.011 0.000 0.943 135 D HN 0.447 nan 8.370 nan 0.000 0.488 136 K N 0.714 120.937 120.400 -0.294 0.000 2.026 136 K HA -0.084 4.236 4.320 0.001 0.000 0.208 136 K C 2.227 178.613 176.600 -0.358 0.000 1.048 136 K CA 0.677 56.803 56.287 -0.268 0.000 0.929 136 K CB -0.118 32.226 32.500 -0.260 0.000 0.713 136 K HN 0.076 nan 8.250 nan 0.000 0.439 137 L N 1.149 122.023 121.223 -0.582 0.000 2.083 137 L HA -0.166 4.175 4.340 0.001 0.000 0.209 137 L C 2.702 179.325 176.870 -0.411 0.000 1.083 137 L CA 1.324 55.853 54.840 -0.519 0.000 0.752 137 L CB -0.410 41.238 42.059 -0.685 0.000 0.899 137 L HN 0.266 nan 8.230 nan 0.000 0.433 138 K N 0.741 120.860 120.400 -0.468 0.000 2.113 138 K HA -0.177 4.144 4.320 0.001 0.000 0.208 138 K C 1.710 178.168 176.600 -0.235 0.000 1.047 138 K CA 1.314 57.378 56.287 -0.371 0.000 0.928 138 K CB -0.037 32.256 32.500 -0.346 0.000 0.716 138 K HN 0.320 nan 8.250 nan 0.000 0.446 139 L N 1.523 122.627 121.223 -0.198 0.000 2.629 139 L HA 0.079 4.419 4.340 0.001 0.000 0.230 139 L C 0.109 176.896 176.870 -0.137 0.000 1.151 139 L CA -0.281 54.475 54.840 -0.140 0.000 0.924 139 L CB 0.213 42.212 42.059 -0.100 0.000 1.137 139 L HN 0.133 nan 8.230 nan 0.000 0.457 140 Q N 0.636 120.331 119.800 -0.175 0.000 2.261 140 Q HA 0.082 4.422 4.340 0.001 0.000 0.252 140 Q C 0.905 176.776 176.000 -0.214 0.000 0.915 140 Q CA -0.079 55.620 55.803 -0.173 0.000 0.915 140 Q CB 1.479 30.108 28.738 -0.182 0.000 1.204 140 Q HN 0.121 nan 8.270 nan 0.000 0.421 141 E N 1.960 122.049 120.200 -0.185 0.000 2.160 141 E HA -0.192 4.159 4.350 0.001 0.000 0.195 141 E C 0.812 177.252 176.600 -0.266 0.000 0.991 141 E CA 1.209 57.499 56.400 -0.183 0.000 0.810 141 E CB 0.381 30.003 29.700 -0.129 0.000 0.742 141 E HN 0.565 nan 8.360 nan 0.000 0.466 142 E N 0.093 120.038 120.200 -0.425 0.000 2.427 142 E HA 0.002 4.352 4.350 0.001 0.000 0.196 142 E C 0.269 176.453 176.600 -0.694 0.000 1.028 142 E CA 0.044 56.062 56.400 -0.636 0.000 0.864 142 E CB 0.292 29.339 29.700 -1.087 0.000 0.813 142 E HN -0.084 nan 8.360 nan 0.000 0.514 143 V N 1.738 121.319 119.914 -0.555 0.000 2.461 143 V HA 0.261 4.381 4.120 0.001 0.000 0.275 143 V C -0.029 175.927 176.094 -0.229 0.000 1.047 143 V CA -0.388 61.689 62.300 -0.372 0.000 0.955 143 V CB 1.157 32.799 31.823 -0.303 0.000 0.988 143 V HN 0.010 nan 8.190 nan 0.000 0.471 144 K N 2.262 122.564 120.400 -0.162 0.000 2.477 144 K HA 0.567 4.887 4.320 0.001 0.000 0.255 144 K C -0.434 176.122 176.600 -0.074 0.000 0.952 144 K CA -0.726 55.495 56.287 -0.110 0.000 0.826 144 K CB 1.310 33.756 32.500 -0.091 0.000 1.331 144 K HN 0.539 nan 8.250 nan 0.000 0.437 145 D N 0.480 120.847 120.400 -0.056 0.000 2.772 145 D HA -0.199 4.441 4.640 0.001 0.000 0.233 145 D C -0.619 175.670 176.300 -0.019 0.000 1.143 145 D CA 0.438 54.422 54.000 -0.027 0.000 0.700 145 D CB -1.272 39.522 40.800 -0.011 0.000 1.076 145 D HN 0.273 nan 8.370 nan 0.000 0.430 146 L N 0.954 122.144 121.223 -0.055 0.000 2.477 146 L HA 0.187 4.527 4.340 0.001 0.000 0.272 146 L C 0.715 177.621 176.870 0.059 0.000 1.157 146 L CA 0.483 55.281 54.840 -0.070 0.000 0.889 146 L CB 0.284 42.190 42.059 -0.255 0.000 1.158 146 L HN 0.230 nan 8.230 nan 0.000 0.473 147 R N 4.973 125.551 120.500 0.131 0.000 2.604 147 R HA 0.879 5.220 4.340 0.001 0.000 0.281 147 R C -1.697 174.756 176.300 0.255 0.000 1.020 147 R CA -0.648 55.569 56.100 0.194 0.000 0.899 147 R CB 1.241 31.609 30.300 0.113 0.000 1.205 147 R HN 0.652 nan 8.270 nan 0.000 0.450 148 A N 2.262 125.224 122.820 0.236 0.000 2.324 148 A HA 0.603 4.923 4.320 0.001 0.000 0.330 148 A C -0.542 177.111 177.584 0.115 0.000 1.165 148 A CA -0.784 51.389 52.037 0.227 0.000 0.813 148 A CB 1.748 20.814 19.000 0.111 0.000 1.197 148 A HN 0.474 nan 8.150 nan 0.000 0.484 149 V N 3.025 123.036 119.914 0.161 0.000 2.384 149 V HA 0.181 4.302 4.120 0.001 0.000 0.257 149 V C 0.997 177.084 176.094 -0.011 0.000 0.969 149 V CA -0.039 62.303 62.300 0.070 0.000 0.910 149 V CB 0.193 32.093 31.823 0.128 0.000 1.150 149 V HN 1.153 nan 8.190 nan 0.000 0.481 150 E N 1.489 121.497 120.200 -0.320 0.000 2.268 150 E HA -0.136 4.214 4.350 0.001 0.000 0.195 150 E C 1.290 177.722 176.600 -0.280 0.000 0.995 150 E CA 0.924 56.904 56.400 -0.701 0.000 0.836 150 E CB 0.482 29.482 29.700 -1.168 0.000 0.763 150 E HN 0.634 nan 8.360 nan 0.000 0.491 151 E N 0.074 120.190 120.200 -0.140 0.000 2.444 151 E HA 0.162 4.512 4.350 0.001 0.000 0.191 151 E C 0.051 176.666 176.600 0.025 0.000 1.041 151 E CA 0.068 56.437 56.400 -0.052 0.000 0.883 151 E CB 0.631 30.305 29.700 -0.043 0.000 1.024 151 E HN 0.223 nan 8.360 nan 0.000 0.470 152 A N 0.348 123.205 122.820 0.062 0.000 2.296 152 A HA 0.187 4.508 4.320 0.001 0.000 0.264 152 A C 0.880 178.566 177.584 0.170 0.000 1.097 152 A CA -0.500 51.616 52.037 0.132 0.000 0.811 152 A CB 0.075 19.169 19.000 0.157 0.000 1.072 152 A HN 0.153 nan 8.150 nan 0.000 0.495 153 F N 1.086 121.072 119.950 0.061 0.000 2.115 153 F HA -0.110 4.417 4.527 0.001 0.000 0.300 153 F C 0.724 176.566 175.800 0.069 0.000 1.092 153 F CA 2.073 60.107 58.000 0.057 0.000 1.245 153 F CB 0.083 39.117 39.000 0.056 0.000 0.995 153 F HN 0.123 nan 8.300 nan 0.000 0.481 154 V N 2.157 122.180 119.914 0.181 0.000 2.325 154 V HA 0.289 4.409 4.120 0.001 0.000 0.280 154 V C -2.274 173.931 176.094 0.185 0.000 1.016 154 V CA -1.938 60.429 62.300 0.111 0.000 0.818 154 V CB 0.798 32.725 31.823 0.174 0.000 1.019 154 V HN -0.069 nan 8.190 nan 0.000 0.434 155 P HA 0.165 nan 4.420 nan 0.000 0.265 155 P C -0.572 177.012 177.300 0.473 0.000 1.187 155 P CA 0.507 63.814 63.100 0.346 0.000 0.766 155 P CB 0.952 32.918 31.700 0.443 0.000 0.820 156 V N 4.205 124.455 119.914 0.559 0.000 3.204 156 V HA 0.495 4.616 4.120 0.001 0.000 0.298 156 V C -1.543 174.881 176.094 0.551 0.000 1.328 156 V CA -0.860 61.753 62.300 0.521 0.000 1.035 156 V CB 2.159 34.188 31.823 0.345 0.000 1.095 156 V HN 0.274 nan 8.190 nan 0.000 0.442 157 I N 4.390 125.225 120.570 0.443 0.000 2.389 157 I HA 0.502 4.673 4.170 0.001 0.000 0.288 157 I C -0.347 175.902 176.117 0.220 0.000 0.999 157 I CA -0.619 60.861 61.300 0.300 0.000 1.129 157 I CB 1.756 39.810 38.000 0.089 0.000 1.288 157 I HN 0.533 nan 8.210 nan 0.000 0.444 158 K N 7.698 128.207 120.400 0.181 0.000 2.164 158 K HA 0.845 5.165 4.320 0.001 0.000 0.258 158 K C -0.870 175.778 176.600 0.079 0.000 0.951 158 K CA -0.602 55.762 56.287 0.128 0.000 0.844 158 K CB 2.390 34.964 32.500 0.122 0.000 1.099 158 K HN 0.508 nan 8.250 nan 0.000 0.435 162 D N 4.374 124.715 120.400 -0.099 0.000 2.708 162 D HA -0.177 4.463 4.640 0.001 0.000 0.236 162 D C 1.173 177.495 176.300 0.037 0.000 1.146 162 D CA 2.491 56.481 54.000 -0.017 0.000 0.662 162 D CB -0.834 40.035 40.800 0.116 0.000 1.059 162 D HN 1.636 nan 8.370 nan 0.000 0.428 163 G N -1.190 107.619 108.800 0.015 0.000 2.217 163 G HA2 -0.274 3.686 3.960 0.001 0.000 0.246 163 G HA3 -0.274 3.686 3.960 0.001 0.000 0.246 163 G C 0.312 175.231 174.900 0.032 0.000 0.990 163 G CA 0.313 45.424 45.100 0.018 0.000 0.627 163 G HN 0.448 nan 8.290 nan 0.000 0.522 164 I N 1.709 122.314 120.570 0.057 0.000 2.354 164 I HA 0.356 4.527 4.170 0.001 0.000 0.292 164 I C 0.428 176.567 176.117 0.037 0.000 0.989 164 I CA -1.061 60.259 61.300 0.034 0.000 1.188 164 I CB 1.307 39.310 38.000 0.005 0.000 1.342 164 I HN 0.158 nan 8.210 nan 0.000 0.457 165 E N 5.832 126.042 120.200 0.017 0.000 2.344 165 E HA 0.300 4.650 4.350 0.001 0.000 0.270 165 E C -0.689 175.912 176.600 0.001 0.000 1.021 165 E CA -0.063 56.349 56.400 0.020 0.000 0.887 165 E CB 1.155 30.868 29.700 0.021 0.000 0.997 165 E HN 0.288 nan 8.360 nan 0.000 0.429 166 I N 2.705 123.289 120.570 0.023 0.000 2.498 166 I HA 0.266 4.436 4.170 0.001 0.000 0.290 166 I C -0.541 175.608 176.117 0.052 0.000 1.032 166 I CA -0.768 60.538 61.300 0.009 0.000 1.073 166 I CB 1.782 39.791 38.000 0.014 0.000 1.251 166 I HN 0.369 nan 8.210 nan 0.000 0.426 167 D N 6.569 126.999 120.400 0.050 0.000 2.381 167 D HA 0.533 5.174 4.640 0.001 0.000 0.235 167 D C -0.360 176.042 176.300 0.169 0.000 1.068 167 D CA -0.069 54.000 54.000 0.114 0.000 0.832 167 D CB 1.716 42.573 40.800 0.094 0.000 1.101 167 D HN 0.292 nan 8.370 nan 0.000 0.515 168 I N 3.645 124.365 120.570 0.250 0.000 2.382 168 I HA 0.261 4.431 4.170 0.001 0.000 0.286 168 I C -0.456 175.904 176.117 0.406 0.000 1.002 168 I CA -0.787 60.714 61.300 0.334 0.000 1.135 168 I CB 1.144 39.390 38.000 0.410 0.000 1.288 168 I HN 0.012 nan 8.210 nan 0.000 0.448 169 L N 6.188 127.590 121.223 0.298 0.000 2.400 169 L HA 0.558 4.899 4.340 0.001 0.000 0.264 169 L C -0.607 176.204 176.870 -0.098 0.000 1.061 169 L CA -0.386 54.555 54.840 0.168 0.000 0.799 169 L CB 1.036 43.188 42.059 0.156 0.000 1.240 169 L HN 0.372 nan 8.230 nan 0.000 0.461 170 F N 0.471 120.145 119.950 -0.461 0.000 2.565 170 F HA 0.813 5.341 4.527 0.001 0.000 0.313 170 F C -0.925 174.668 175.800 -0.345 0.000 1.091 170 F CA -0.675 56.906 58.000 -0.698 0.000 0.915 170 F CB 1.799 39.892 39.000 -1.511 0.000 1.208 170 F HN 0.483 nan 8.300 nan 0.000 0.453 171 A N 5.289 127.268 122.820 -1.401 0.000 2.465 171 A HA 0.653 4.973 4.320 0.001 0.000 0.292 171 A C -1.587 175.342 177.584 -1.091 0.000 1.041 171 A CA -0.971 50.487 52.037 -0.966 0.000 0.718 171 A CB 1.255 19.950 19.000 -0.508 0.000 1.266 171 A HN 0.835 nan 8.150 nan 0.000 0.403 172 R N 3.327 123.401 120.500 -0.710 0.000 2.239 172 R HA 0.658 4.998 4.340 0.001 0.000 0.332 172 R C -1.152 175.012 176.300 -0.227 0.000 0.988 172 R CA -0.524 55.342 56.100 -0.391 0.000 0.859 172 R CB 0.519 30.759 30.300 -0.100 0.000 1.148 172 R HN 0.532 nan 8.270 nan 0.000 0.482 173 L N 2.092 123.190 121.223 -0.208 0.000 2.439 173 L HA 0.352 4.692 4.340 0.001 0.000 0.261 173 L C 0.939 177.756 176.870 -0.090 0.000 1.153 173 L CA -0.809 53.946 54.840 -0.141 0.000 0.808 173 L CB 1.137 43.113 42.059 -0.137 0.000 1.126 173 L HN 0.783 nan 8.230 nan 0.000 0.460 174 A N 4.524 127.306 122.820 -0.064 0.000 3.029 174 A HA 0.466 4.787 4.320 0.001 0.000 0.251 174 A C -0.130 177.439 177.584 -0.025 0.000 1.749 174 A CA 0.092 52.108 52.037 -0.035 0.000 1.386 174 A CB -1.014 17.970 19.000 -0.028 0.000 1.043 174 A HN 0.518 nan 8.150 nan 0.000 0.638 175 L N -0.993 120.215 121.223 -0.024 0.000 2.409 175 L HA 0.330 4.670 4.340 0.001 0.000 0.262 175 L C 1.189 178.071 176.870 0.020 0.000 0.992 175 L CA -0.541 54.295 54.840 -0.007 0.000 0.817 175 L CB 1.980 44.028 42.059 -0.018 0.000 1.350 175 L HN 0.549 nan 8.230 nan 0.000 0.411 176 Q N 0.505 120.330 119.800 0.041 0.000 2.269 176 Q HA 0.004 4.344 4.340 0.001 0.000 0.201 176 Q C 0.127 176.189 176.000 0.104 0.000 0.946 176 Q CA 1.123 56.980 55.803 0.090 0.000 0.877 176 Q CB 0.519 29.288 28.738 0.053 0.000 0.963 176 Q HN 0.797 nan 8.270 nan 0.000 0.472 177 T N -2.108 112.478 114.554 0.052 0.000 2.903 177 T HA 0.513 4.863 4.350 0.001 0.000 0.299 177 T C -0.499 174.215 174.700 0.024 0.000 1.093 177 T CA -0.940 61.187 62.100 0.045 0.000 1.002 177 T CB 1.492 70.383 68.868 0.037 0.000 1.127 177 T HN 0.010 nan 8.240 nan 0.000 0.488 178 I N 3.885 124.469 120.570 0.023 0.000 2.307 178 I HA 0.349 4.519 4.170 0.001 0.000 0.287 178 I C -1.986 174.157 176.117 0.043 0.000 1.054 178 I CA -2.824 58.495 61.300 0.031 0.000 1.218 178 I CB 0.538 38.560 38.000 0.038 0.000 1.398 178 I HN 0.553 nan 8.210 nan 0.000 0.475 179 P HA 0.106 nan 4.420 nan 0.000 0.271 179 P C 0.541 177.875 177.300 0.056 0.000 1.218 179 P CA -0.181 62.944 63.100 0.042 0.000 0.780 179 P CB 1.585 33.306 31.700 0.035 0.000 0.901 180 E N 1.521 121.743 120.200 0.037 0.000 2.204 180 E HA -0.158 4.192 4.350 0.001 0.000 0.195 180 E C 0.866 177.492 176.600 0.044 0.000 0.990 180 E CA 1.298 57.713 56.400 0.025 0.000 0.821 180 E CB -0.230 29.475 29.700 0.008 0.000 0.750 180 E HN 0.604 nan 8.360 nan 0.000 0.477 181 D N -0.122 120.311 120.400 0.055 0.000 2.342 181 D HA -0.029 4.611 4.640 0.001 0.000 0.221 181 D C 0.676 177.031 176.300 0.091 0.000 1.101 181 D CA -0.441 53.599 54.000 0.067 0.000 0.837 181 D CB -0.646 40.181 40.800 0.046 0.000 0.938 181 D HN -0.021 nan 8.370 nan 0.000 0.508 182 L N 1.510 122.807 121.223 0.123 0.000 2.601 182 L HA 0.134 4.474 4.340 0.001 0.000 0.277 182 L C -0.250 176.697 176.870 0.129 0.000 1.219 182 L CA 0.512 55.424 54.840 0.119 0.000 0.915 182 L CB 0.380 42.531 42.059 0.153 0.000 1.160 182 L HN -0.054 nan 8.230 nan 0.000 0.494 183 D N 4.888 125.309 120.400 0.034 0.000 2.349 183 D HA 0.155 4.796 4.640 0.001 0.000 0.232 183 D C 0.792 177.036 176.300 -0.093 0.000 1.071 183 D CA -0.346 53.649 54.000 -0.007 0.000 0.832 183 D CB 1.110 41.895 40.800 -0.026 0.000 1.086 183 D HN 0.692 nan 8.370 nan 0.000 0.504 184 L N 3.451 124.568 121.223 -0.176 0.000 2.610 184 L HA 0.070 4.410 4.340 0.001 0.000 0.232 184 L C 2.247 179.022 176.870 -0.158 0.000 1.149 184 L CA 0.243 54.939 54.840 -0.240 0.000 0.872 184 L CB -0.019 41.790 42.059 -0.416 0.000 0.992 184 L HN 0.206 nan 8.230 nan 0.000 0.447 185 R N -0.244 120.183 120.500 -0.120 0.000 2.235 185 R HA -0.059 4.282 4.340 0.001 0.000 0.213 185 R C 0.498 176.757 176.300 -0.068 0.000 1.059 185 R CA 0.137 56.182 56.100 -0.093 0.000 0.997 185 R CB -0.206 30.026 30.300 -0.113 0.000 0.884 185 R HN 0.180 nan 8.270 nan 0.000 0.462 186 D N 1.431 121.788 120.400 -0.072 0.000 2.412 186 D HA -0.078 4.562 4.640 0.001 0.000 0.257 186 D C 0.335 176.611 176.300 -0.040 0.000 1.217 186 D CA 0.284 54.252 54.000 -0.054 0.000 0.897 186 D CB 0.602 41.369 40.800 -0.055 0.000 1.132 186 D HN -0.017 nan 8.370 nan 0.000 0.493 187 D N 1.897 122.282 120.400 -0.024 0.000 2.218 187 D HA -0.176 4.464 4.640 0.001 0.000 0.204 187 D C 1.908 178.203 176.300 -0.009 0.000 0.976 187 D CA 1.156 55.158 54.000 0.004 0.000 0.853 187 D CB -0.070 40.717 40.800 -0.022 0.000 0.939 187 D HN 0.553 nan 8.370 nan 0.000 0.481 188 S N 0.333 116.015 115.700 -0.031 0.000 2.442 188 S HA -0.111 4.359 4.470 0.001 0.000 0.236 188 S C 2.167 176.749 174.600 -0.030 0.000 1.007 188 S CA 0.423 58.605 58.200 -0.031 0.000 0.965 188 S CB -0.646 62.533 63.200 -0.035 0.000 0.773 188 S HN 0.276 nan 8.310 nan 0.000 0.504 189 L N 0.546 121.745 121.223 -0.040 0.000 2.265 189 L HA 0.021 4.362 4.340 0.001 0.000 0.215 189 L C 2.203 179.042 176.870 -0.051 0.000 1.117 189 L CA 0.914 55.720 54.840 -0.057 0.000 0.782 189 L CB -0.587 41.421 42.059 -0.085 0.000 0.914 189 L HN 0.364 nan 8.230 nan 0.000 0.441 190 L N 0.144 121.353 121.223 -0.023 0.000 2.492 190 L HA -0.015 4.326 4.340 0.001 0.000 0.223 190 L C 1.525 178.395 176.870 0.000 0.000 1.132 190 L CA -0.155 54.680 54.840 -0.010 0.000 0.850 190 L CB -0.961 41.124 42.059 0.043 0.000 0.966 190 L HN 0.142 nan 8.230 nan 0.000 0.454 191 K N 1.192 121.590 120.400 -0.002 0.000 2.441 191 K HA -0.147 4.173 4.320 0.001 0.000 0.273 191 K C 0.634 177.230 176.600 -0.006 0.000 1.090 191 K CA 0.759 57.044 56.287 -0.002 0.000 1.158 191 K CB -1.319 31.173 32.500 -0.012 0.000 0.847 191 K HN 0.520 nan 8.250 nan 0.000 0.483 192 N N -0.206 118.495 118.700 0.002 0.000 2.698 192 N HA -0.152 4.589 4.740 0.001 0.000 0.258 192 N C -0.669 174.836 175.510 -0.009 0.000 0.978 192 N CA 0.807 53.856 53.050 -0.001 0.000 0.777 192 N CB -0.965 37.522 38.487 -0.001 0.000 0.907 192 N HN 0.624 nan 8.380 nan 0.000 0.543 193 L N -0.057 121.156 121.223 -0.017 0.000 2.344 193 L HA 0.374 4.714 4.340 0.001 0.000 0.272 193 L C 0.768 177.622 176.870 -0.026 0.000 1.035 193 L CA -0.584 54.239 54.840 -0.028 0.000 0.807 193 L CB 1.113 43.142 42.059 -0.051 0.000 1.237 193 L HN 0.181 nan 8.230 nan 0.000 0.442 194 D N 0.143 120.530 120.400 -0.021 0.000 2.449 194 D HA 0.022 4.663 4.640 0.001 0.000 0.236 194 D C 1.282 177.556 176.300 -0.043 0.000 1.149 194 D CA 0.005 53.994 54.000 -0.018 0.000 0.878 194 D CB 0.755 41.556 40.800 0.002 0.000 1.198 194 D HN 0.380 nan 8.370 nan 0.000 0.446 195 I N 0.760 121.298 120.570 -0.053 0.000 2.423 195 I HA -0.095 4.076 4.170 0.001 0.000 0.254 195 I C 1.424 177.460 176.117 -0.134 0.000 1.151 195 I CA 0.973 62.218 61.300 -0.092 0.000 1.421 195 I CB -0.936 37.005 38.000 -0.099 0.000 1.079 195 I HN 0.232 nan 8.210 nan 0.000 0.431 199 R N 1.452 121.853 120.500 -0.166 0.000 2.096 199 R HA -0.024 4.316 4.340 0.001 0.000 0.235 199 R C 2.049 178.266 176.300 -0.138 0.000 1.127 199 R CA 2.113 58.108 56.100 -0.174 0.000 0.968 199 R CB -0.153 29.949 30.300 -0.329 0.000 0.861 199 R HN 0.231 nan 8.270 nan 0.000 0.440 200 S N 0.063 115.678 115.700 -0.142 0.000 2.474 200 S HA 0.000 4.471 4.470 0.001 0.000 0.235 200 S C 1.494 175.955 174.600 -0.231 0.000 0.997 200 S CA 0.693 58.807 58.200 -0.143 0.000 0.949 200 S CB 0.023 63.150 63.200 -0.122 0.000 0.766 200 S HN 0.224 nan 8.310 nan 0.000 0.517 201 L N 1.181 122.266 121.223 -0.230 0.000 2.416 201 L HA 0.123 4.464 4.340 0.001 0.000 0.216 201 L C 2.276 178.987 176.870 -0.266 0.000 1.098 201 L CA 0.238 54.917 54.840 -0.268 0.000 0.840 201 L CB -0.380 41.542 42.059 -0.229 0.000 0.981 201 L HN 0.353 nan 8.230 nan 0.000 0.462 202 N N 0.714 119.289 118.700 -0.209 0.000 2.094 202 N HA -0.198 4.542 4.740 0.001 0.000 0.191 202 N C 1.840 177.235 175.510 -0.192 0.000 1.023 202 N CA 1.547 54.501 53.050 -0.160 0.000 0.857 202 N CB 0.012 38.444 38.487 -0.091 0.000 1.013 202 N HN 0.357 nan 8.380 nan 0.000 0.426 203 G N 0.749 109.353 108.800 -0.327 0.000 2.459 203 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 203 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 203 G C 1.908 176.585 174.900 -0.373 0.000 1.183 203 G CA 1.022 45.876 45.100 -0.411 0.000 0.776 203 G HN 0.462 nan 8.290 nan 0.000 0.552 204 C N 0.001 118.961 119.300 -0.567 0.000 2.425 204 C HA 0.060 4.521 4.460 0.001 0.000 0.277 204 C C 3.062 177.998 174.990 -0.090 0.000 1.280 204 C CA 0.780 59.673 59.018 -0.208 0.000 1.744 204 C CB -0.823 26.768 27.740 -0.247 0.000 1.989 204 C HN 0.467 nan 8.230 nan 0.000 0.491 205 R N -0.028 120.389 120.500 -0.138 0.000 2.075 205 R HA -0.089 4.251 4.340 0.001 0.000 0.232 205 R C 2.088 178.378 176.300 -0.017 0.000 1.126 205 R CA 1.252 57.304 56.100 -0.079 0.000 0.963 205 R CB -0.484 29.760 30.300 -0.093 0.000 0.858 205 R HN 0.378 nan 8.270 nan 0.000 0.435 206 V N 0.490 120.398 119.914 -0.009 0.000 2.295 206 V HA -0.256 3.865 4.120 0.001 0.000 0.246 206 V C 2.077 178.215 176.094 0.074 0.000 1.049 206 V CA 2.255 64.576 62.300 0.034 0.000 1.024 206 V CB -0.514 31.334 31.823 0.041 0.000 0.648 206 V HN 0.429 nan 8.190 nan 0.000 0.447 207 T N -0.680 113.940 114.554 0.110 0.000 2.746 207 T HA -0.219 4.131 4.350 0.001 0.000 0.267 207 T C 1.734 176.514 174.700 0.133 0.000 1.039 207 T CA 1.805 63.996 62.100 0.151 0.000 1.142 207 T CB -0.377 68.628 68.868 0.230 0.000 0.866 207 T HN 0.465 nan 8.240 nan 0.000 0.444 208 D N 0.586 121.065 120.400 0.131 0.000 2.144 208 D HA -0.080 4.561 4.640 0.001 0.000 0.200 208 D C 2.319 178.749 176.300 0.215 0.000 0.978 208 D CA 0.753 54.862 54.000 0.182 0.000 0.833 208 D CB -0.023 40.852 40.800 0.125 0.000 0.961 208 D HN 0.216 nan 8.370 nan 0.000 0.470 209 E N 0.147 120.410 120.200 0.106 0.000 2.051 209 E HA -0.127 4.223 4.350 0.001 0.000 0.192 209 E C 2.497 179.148 176.600 0.085 0.000 0.991 209 E CA 0.466 56.918 56.400 0.087 0.000 0.799 209 E CB -0.284 29.446 29.700 0.049 0.000 0.748 209 E HN 0.440 nan 8.360 nan 0.000 0.449 210 I N 1.080 121.676 120.570 0.043 0.000 2.151 210 I HA -0.304 3.866 4.170 0.001 0.000 0.243 210 I C 2.487 178.502 176.117 -0.170 0.000 1.080 210 I CA 1.039 62.310 61.300 -0.048 0.000 1.339 210 I CB -0.319 37.673 38.000 -0.013 0.000 1.039 210 I HN 0.070 nan 8.210 nan 0.000 0.409 211 L N -0.435 120.731 121.223 -0.095 0.000 2.191 211 L HA -0.216 4.124 4.340 0.001 0.000 0.212 211 L C 1.866 178.583 176.870 -0.254 0.000 1.103 211 L CA 1.266 55.986 54.840 -0.200 0.000 0.769 211 L CB -0.672 41.324 42.059 -0.105 0.000 0.908 211 L HN 0.347 nan 8.230 nan 0.000 0.438 212 H N -1.406 117.625 119.070 -0.066 0.000 2.551 212 H HA 0.177 4.733 4.556 0.001 0.000 0.271 212 H C 1.439 176.792 175.328 0.043 0.000 0.984 212 H CA 0.261 56.310 56.048 0.001 0.000 1.164 212 H CB 0.370 30.155 29.762 0.039 0.000 1.437 212 H HN 0.175 nan 8.280 nan 0.000 0.550 213 L N 0.430 121.665 121.223 0.020 0.000 2.693 213 L HA 0.181 4.522 4.340 0.001 0.000 0.235 213 L C -0.120 176.616 176.870 -0.223 0.000 1.127 213 L CA -0.231 54.635 54.840 0.044 0.000 0.914 213 L CB 0.740 42.826 42.059 0.045 0.000 1.193 213 L HN 0.075 nan 8.230 nan 0.000 0.502 214 V N -3.965 115.659 119.914 -0.483 0.000 2.581 214 V HA 0.444 4.565 4.120 0.001 0.000 0.303 214 V C -1.684 173.877 176.094 -0.889 0.000 1.041 214 V CA -1.557 60.393 62.300 -0.582 0.000 0.907 214 V CB 1.286 32.807 31.823 -0.504 0.000 0.994 214 V HN -0.126 nan 8.190 nan 0.000 0.442 215 P HA -0.060 nan 4.420 nan 0.000 0.219 215 P C 0.157 177.328 177.300 -0.215 0.000 1.150 215 P CA 1.080 63.835 63.100 -0.574 0.000 0.814 215 P CB 0.299 31.910 31.700 -0.148 0.000 0.787 216 N N -0.353 118.264 118.700 -0.137 0.000 2.558 216 N HA 0.187 4.927 4.740 0.001 0.000 0.285 216 N C 0.865 176.382 175.510 0.012 0.000 1.112 216 N CA -0.383 52.646 53.050 -0.035 0.000 0.857 216 N CB 1.293 39.793 38.487 0.021 0.000 1.376 216 N HN -0.216 nan 8.380 nan 0.000 0.526 217 I N 1.492 122.060 120.570 -0.004 0.000 2.226 217 I HA -0.250 3.920 4.170 0.001 0.000 0.245 217 I C 1.286 177.504 176.117 0.168 0.000 1.100 217 I CA 1.030 62.375 61.300 0.075 0.000 1.374 217 I CB 0.107 38.111 38.000 0.007 0.000 1.057 217 I HN 0.464 nan 8.210 nan 0.000 0.413 218 D N 0.829 121.282 120.400 0.089 0.000 2.117 218 D HA -0.155 4.485 4.640 0.001 0.000 0.197 218 D C 1.915 178.256 176.300 0.069 0.000 0.987 218 D CA 1.143 55.186 54.000 0.071 0.000 0.829 218 D CB -0.476 40.350 40.800 0.043 0.000 0.961 218 D HN 0.294 nan 8.370 nan 0.000 0.460 219 N N 0.228 118.975 118.700 0.079 0.000 2.188 219 N HA -0.132 4.608 4.740 0.001 0.000 0.184 219 N C 1.712 177.271 175.510 0.080 0.000 1.018 219 N CA 0.342 53.432 53.050 0.067 0.000 0.858 219 N CB -0.527 38.005 38.487 0.074 0.000 0.989 219 N HN 0.237 nan 8.380 nan 0.000 0.426 220 F N 2.296 122.237 119.950 -0.016 0.000 2.102 220 F HA -0.077 4.451 4.527 0.001 0.000 0.298 220 F C 2.543 178.328 175.800 -0.024 0.000 1.105 220 F CA 1.255 59.247 58.000 -0.014 0.000 1.239 220 F CB -0.245 38.742 39.000 -0.021 0.000 0.991 220 F HN -0.125 nan 8.300 nan 0.000 0.474 221 R N 0.247 120.630 120.500 -0.195 0.000 2.080 221 R HA -0.196 4.144 4.340 0.001 0.000 0.236 221 R C 2.289 178.419 176.300 -0.284 0.000 1.137 221 R CA 1.970 57.885 56.100 -0.308 0.000 0.943 221 R CB -0.833 29.441 30.300 -0.045 0.000 0.846 221 R HN 0.459 nan 8.270 nan 0.000 0.431 222 L N 0.877 122.007 121.223 -0.155 0.000 2.042 222 L HA -0.138 4.202 4.340 0.001 0.000 0.210 222 L C 1.940 178.673 176.870 -0.228 0.000 1.076 222 L CA 2.127 56.880 54.840 -0.146 0.000 0.749 222 L CB -0.801 41.224 42.059 -0.057 0.000 0.893 222 L HN 0.213 nan 8.230 nan 0.000 0.432 223 T N -0.237 114.180 114.554 -0.229 0.000 2.746 223 T HA -0.186 4.164 4.350 0.001 0.000 0.267 223 T C 1.801 176.295 174.700 -0.345 0.000 1.039 223 T CA 1.629 63.578 62.100 -0.253 0.000 1.142 223 T CB -0.419 68.344 68.868 -0.174 0.000 0.866 223 T HN 0.292 nan 8.240 nan 0.000 0.444 224 L N 1.260 122.224 121.223 -0.432 0.000 2.083 224 L HA 0.027 4.367 4.340 0.001 0.000 0.209 224 L C 2.430 179.095 176.870 -0.343 0.000 1.083 224 L CA 1.598 56.186 54.840 -0.420 0.000 0.752 224 L CB -0.500 41.218 42.059 -0.568 0.000 0.899 224 L HN 0.075 nan 8.230 nan 0.000 0.433 225 R N -0.629 119.656 120.500 -0.358 0.000 2.091 225 R HA -0.162 4.179 4.340 0.001 0.000 0.238 225 R C 2.243 178.318 176.300 -0.376 0.000 1.136 225 R CA 1.430 57.297 56.100 -0.387 0.000 0.959 225 R CB -0.689 29.306 30.300 -0.508 0.000 0.856 225 R HN 0.534 nan 8.270 nan 0.000 0.437 226 A N 1.373 123.994 122.820 -0.332 0.000 1.858 226 A HA -0.148 4.172 4.320 0.001 0.000 0.216 226 A C 2.084 179.617 177.584 -0.086 0.000 1.190 226 A CA 1.206 53.122 52.037 -0.202 0.000 0.617 226 A CB -0.391 18.518 19.000 -0.150 0.000 0.827 226 A HN 0.093 nan 8.150 nan 0.000 0.443 227 I N 0.120 120.524 120.570 -0.277 0.000 2.226 227 I HA -0.216 3.954 4.170 0.001 0.000 0.245 227 I C 2.234 178.172 176.117 -0.298 0.000 1.100 227 I CA 1.631 62.702 61.300 -0.383 0.000 1.374 227 I CB -1.250 36.280 38.000 -0.784 0.000 1.057 227 I HN 0.377 nan 8.210 nan 0.000 0.413 228 K N 0.155 120.372 120.400 -0.306 0.000 2.097 228 K HA -0.184 4.136 4.320 0.001 0.000 0.206 228 K C 2.055 178.500 176.600 -0.258 0.000 1.049 228 K CA 1.013 57.130 56.287 -0.284 0.000 0.933 228 K CB -0.292 32.117 32.500 -0.152 0.000 0.717 228 K HN 0.128 nan 8.250 nan 0.000 0.442 229 L N 0.236 121.320 121.223 -0.233 0.000 2.056 229 L HA -0.127 4.213 4.340 0.001 0.000 0.207 229 L C 2.050 178.895 176.870 -0.043 0.000 1.078 229 L CA 1.585 56.272 54.840 -0.255 0.000 0.749 229 L CB -0.656 41.108 42.059 -0.492 0.000 0.901 229 L HN 0.304 nan 8.230 nan 0.000 0.433 230 W N 0.576 121.883 121.300 0.012 0.000 2.338 230 W HA -0.241 4.419 4.660 -0.000 0.000 0.304 230 W C 2.284 178.834 176.519 0.052 0.000 1.212 230 W CA 2.693 60.125 57.345 0.145 0.000 1.264 230 W CB -0.500 29.013 29.460 0.089 0.000 1.142 230 W HN 0.260 nan 8.180 nan 0.000 0.512 231 A N 0.589 123.270 122.820 -0.232 0.000 1.877 231 A HA -0.204 4.117 4.320 0.001 0.000 0.216 231 A C 1.975 179.396 177.584 -0.271 0.000 1.186 231 A CA 2.087 53.820 52.037 -0.507 0.000 0.620 231 A CB -0.759 17.814 19.000 -0.711 0.000 0.822 231 A HN 0.395 nan 8.150 nan 0.000 0.443 232 K N -0.758 119.526 120.400 -0.194 0.000 2.026 232 K HA -0.087 4.233 4.320 0.001 0.000 0.208 232 K C 2.128 178.605 176.600 -0.204 0.000 1.048 232 K CA 1.203 57.374 56.287 -0.193 0.000 0.929 232 K CB -0.173 32.128 32.500 -0.332 0.000 0.713 232 K HN 0.225 nan 8.250 nan 0.000 0.439 233 R N 0.403 120.783 120.500 -0.200 0.000 2.241 233 R HA -0.082 4.259 4.340 0.001 0.000 0.224 233 R C 0.841 176.899 176.300 -0.403 0.000 1.101 233 R CA 1.205 57.172 56.100 -0.222 0.000 0.995 233 R CB -0.326 29.902 30.300 -0.120 0.000 0.870 233 R HN 0.408 nan 8.270 nan 0.000 0.463 234 H N 0.425 119.234 119.070 -0.434 0.000 2.505 234 H HA 0.211 4.768 4.556 0.000 0.000 0.286 234 H C -0.129 175.018 175.328 -0.301 0.000 1.072 234 H CA -0.420 55.368 56.048 -0.432 0.000 1.141 234 H CB -0.009 29.287 29.762 -0.777 0.000 1.550 234 H HN 0.123 nan 8.280 nan 0.000 0.547 235 N N 0.826 119.392 118.700 -0.223 0.000 2.735 235 N HA -0.185 4.556 4.740 0.001 0.000 0.248 235 N C 0.033 175.328 175.510 -0.359 0.000 1.083 235 N CA 1.253 54.159 53.050 -0.239 0.000 0.703 235 N CB -1.759 36.576 38.487 -0.253 0.000 1.005 235 N HN 0.652 nan 8.380 nan 0.000 0.550 236 I N -4.999 115.348 120.570 -0.371 0.000 3.426 236 I HA 0.258 4.428 4.170 0.001 0.000 0.329 236 I C -0.582 175.510 176.117 -0.041 0.000 1.553 236 I CA -0.716 60.214 61.300 -0.617 0.000 1.019 236 I CB 0.189 38.015 38.000 -0.290 0.000 1.376 236 I HN -0.021 nan 8.210 nan 0.000 0.525 237 Y N 2.138 122.391 120.300 -0.079 0.000 2.478 237 Y HA 0.702 5.252 4.550 0.001 0.000 0.329 237 Y C -0.218 175.771 175.900 0.148 0.000 0.967 237 Y CA -0.769 57.438 58.100 0.178 0.000 1.255 237 Y CB 0.944 39.445 38.460 0.068 0.000 1.103 237 Y HN 0.305 nan 8.280 nan 0.000 0.497 238 S N 5.216 120.983 115.700 0.113 0.000 2.574 238 S HA 0.049 4.520 4.470 0.001 0.000 0.331 238 S C -0.337 174.291 174.600 0.046 0.000 0.901 238 S CA -0.568 57.716 58.200 0.140 0.000 0.834 238 S CB -0.061 63.287 63.200 0.247 0.000 1.102 238 S HN 0.943 nan 8.310 nan 0.000 0.473 239 N N 4.340 123.004 118.700 -0.060 0.000 2.171 239 N HA -0.034 4.707 4.740 0.001 0.000 0.184 239 N C 1.607 177.036 175.510 -0.136 0.000 1.021 239 N CA 1.339 54.303 53.050 -0.142 0.000 0.854 239 N CB -0.117 38.273 38.487 -0.161 0.000 0.994 239 N HN 0.790 nan 8.380 nan 0.000 0.426 240 I N 1.231 121.761 120.570 -0.067 0.000 2.264 240 I HA -0.241 3.929 4.170 0.001 0.000 0.248 240 I C 1.527 177.591 176.117 -0.088 0.000 1.111 240 I CA 1.004 62.261 61.300 -0.073 0.000 1.382 240 I CB -0.090 37.902 38.000 -0.012 0.000 1.060 240 I HN 0.175 nan 8.210 nan 0.000 0.418 241 L N 0.433 121.639 121.223 -0.028 0.000 2.653 241 L HA 0.238 4.578 4.340 0.001 0.000 0.232 241 L C 1.336 178.073 176.870 -0.221 0.000 1.169 241 L CA 0.380 55.191 54.840 -0.049 0.000 0.951 241 L CB -0.183 41.949 42.059 0.122 0.000 1.181 241 L HN 0.491 nan 8.230 nan 0.000 0.460 242 G N -0.985 107.647 108.800 -0.281 0.000 2.157 242 G HA2 -0.289 3.671 3.960 0.001 0.000 0.239 242 G HA3 -0.289 3.671 3.960 0.001 0.000 0.239 242 G C 0.126 174.668 174.900 -0.596 0.000 0.982 242 G CA -0.142 44.684 45.100 -0.457 0.000 0.650 242 G HN 0.202 nan 8.290 nan 0.000 0.527 243 F N -0.837 119.000 119.950 -0.188 0.000 2.616 243 F HA 0.864 5.391 4.527 0.001 0.000 0.278 243 F C 0.847 176.459 175.800 -0.313 0.000 1.125 243 F CA -1.084 56.797 58.000 -0.198 0.000 1.056 243 F CB 0.040 38.997 39.000 -0.072 0.000 1.992 243 F HN -0.021 nan 8.300 nan 0.000 0.571 244 L N -0.171 120.971 121.223 -0.134 0.000 2.334 244 L HA 0.650 4.990 4.340 0.001 0.000 0.276 244 L C 0.350 176.916 176.870 -0.507 0.000 1.014 244 L CA -0.182 54.321 54.840 -0.562 0.000 0.815 244 L CB 1.256 42.467 42.059 -1.415 0.000 1.268 244 L HN 0.564 nan 8.230 nan 0.000 0.428 245 G N 0.324 108.843 108.800 -0.469 0.000 2.552 245 G HA2 0.460 4.420 3.960 0.001 0.000 0.318 245 G HA3 0.460 4.420 3.960 0.001 0.000 0.318 245 G C 0.816 175.597 174.900 -0.197 0.000 1.240 245 G CA -0.096 44.782 45.100 -0.369 0.000 1.002 245 G HN 0.794 nan 8.290 nan 0.000 0.493 246 G N -0.940 107.876 108.800 0.027 0.000 2.491 246 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 246 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 246 G C 1.674 176.684 174.900 0.182 0.000 1.180 246 G CA 1.682 46.933 45.100 0.252 0.000 0.774 246 G HN 0.498 nan 8.290 nan 0.000 0.562 247 V N 0.985 120.959 119.914 0.100 0.000 2.343 247 V HA -0.193 3.928 4.120 0.001 0.000 0.247 247 V C 3.111 179.222 176.094 0.029 0.000 1.051 247 V CA 2.253 64.605 62.300 0.088 0.000 1.036 247 V CB -0.674 31.190 31.823 0.068 0.000 0.654 247 V HN 0.373 nan 8.190 nan 0.000 0.451 248 S N -1.345 114.297 115.700 -0.096 0.000 2.368 248 S HA -0.222 4.249 4.470 0.001 0.000 0.225 248 S C 1.598 176.088 174.600 -0.183 0.000 1.030 248 S CA 1.747 59.813 58.200 -0.224 0.000 0.999 248 S CB -0.455 62.489 63.200 -0.426 0.000 0.844 248 S HN 0.717 nan 8.310 nan 0.000 0.459 249 W N 1.668 122.956 121.300 -0.020 0.000 2.363 249 W HA -0.025 4.636 4.660 0.001 0.000 0.296 249 W C 2.720 179.270 176.519 0.052 0.000 1.212 249 W CA 0.539 57.901 57.345 0.029 0.000 1.260 249 W CB -0.399 29.088 29.460 0.044 0.000 1.131 249 W HN 0.275 nan 8.180 nan 0.000 0.530 250 A N -0.072 122.921 122.820 0.289 0.000 1.933 250 A HA -0.203 4.117 4.320 0.001 0.000 0.218 250 A C 1.907 179.680 177.584 0.315 0.000 1.175 250 A CA 1.675 53.888 52.037 0.293 0.000 0.628 250 A CB -0.717 18.465 19.000 0.303 0.000 0.814 250 A HN 0.270 nan 8.150 nan 0.000 0.444 251 M N -0.692 119.013 119.600 0.175 0.000 2.200 251 M HA -0.016 4.464 4.480 0.001 0.000 0.265 251 M C 1.999 178.362 176.300 0.105 0.000 1.066 251 M CA 1.034 56.403 55.300 0.115 0.000 1.127 251 M CB -0.409 32.205 32.600 0.023 0.000 1.379 251 M HN 0.358 nan 8.290 nan 0.000 0.420 252 L N -0.670 120.581 121.223 0.046 0.000 2.056 252 L HA -0.151 4.189 4.340 0.001 0.000 0.207 252 L C 2.440 179.492 176.870 0.304 0.000 1.078 252 L CA 0.847 55.636 54.840 -0.085 0.000 0.749 252 L CB -0.685 41.147 42.059 -0.379 0.000 0.901 252 L HN 0.121 nan 8.230 nan 0.000 0.433 253 V N 0.270 120.438 119.914 0.423 0.000 2.343 253 V HA -0.280 3.841 4.120 0.001 0.000 0.247 253 V C 2.786 179.146 176.094 0.443 0.000 1.051 253 V CA 1.774 64.330 62.300 0.428 0.000 1.036 253 V CB -0.788 31.138 31.823 0.172 0.000 0.654 253 V HN 0.471 nan 8.190 nan 0.000 0.451 254 A N 0.236 123.331 122.820 0.458 0.000 1.908 254 A HA -0.283 4.038 4.320 0.001 0.000 0.218 254 A C 2.300 180.015 177.584 0.217 0.000 1.181 254 A CA 2.262 54.477 52.037 0.297 0.000 0.627 254 A CB -0.546 18.524 19.000 0.117 0.000 0.818 254 A HN 0.470 nan 8.150 nan 0.000 0.445 255 R N -0.320 120.325 120.500 0.240 0.000 2.081 255 R HA -0.091 4.249 4.340 0.001 0.000 0.235 255 R C 2.145 178.596 176.300 0.253 0.000 1.131 255 R CA 2.457 58.699 56.100 0.236 0.000 0.960 255 R CB -1.243 29.227 30.300 0.282 0.000 0.856 255 R HN 0.474 nan 8.270 nan 0.000 0.436 256 T N -0.481 114.270 114.554 0.329 0.000 2.720 256 T HA -0.191 4.159 4.350 0.001 0.000 0.268 256 T C 2.012 176.908 174.700 0.328 0.000 1.037 256 T CA 1.552 63.846 62.100 0.324 0.000 1.144 256 T CB -0.586 68.505 68.868 0.372 0.000 0.864 256 T HN 0.352 nan 8.240 nan 0.000 0.444 257 C N 1.439 120.907 119.300 0.280 0.000 2.425 257 C HA -0.069 4.392 4.460 0.001 0.000 0.277 257 C C 2.908 177.998 174.990 0.166 0.000 1.280 257 C CA 0.479 59.633 59.018 0.226 0.000 1.744 257 C CB -1.168 26.698 27.740 0.210 0.000 1.989 257 C HN 0.610 nan 8.230 nan 0.000 0.491 258 Q N 0.176 120.062 119.800 0.143 0.000 2.167 258 Q HA -0.073 4.268 4.340 0.001 0.000 0.202 258 Q C 1.965 178.026 176.000 0.101 0.000 0.970 258 Q CA 1.133 57.016 55.803 0.133 0.000 0.855 258 Q CB -0.169 28.662 28.738 0.156 0.000 0.911 258 Q HN 0.686 nan 8.270 nan 0.000 0.438 259 L N -1.067 120.187 121.223 0.052 0.000 2.418 259 L HA -0.032 4.308 4.340 0.001 0.000 0.218 259 L C 0.057 176.605 176.870 -0.537 0.000 1.125 259 L CA 0.474 55.186 54.840 -0.213 0.000 0.835 259 L CB 0.320 42.236 42.059 -0.238 0.000 0.953 259 L HN 0.181 nan 8.230 nan 0.000 0.454 260 Y N -1.289 119.049 120.300 0.064 0.000 2.497 260 Y HA 0.245 4.796 4.550 0.001 0.000 0.333 260 Y C -1.655 174.285 175.900 0.067 0.000 1.046 260 Y CA -1.952 56.183 58.100 0.058 0.000 1.160 260 Y CB 0.185 38.680 38.460 0.059 0.000 1.123 260 Y HN -0.107 nan 8.280 nan 0.000 0.638 261 P HA -0.174 nan 4.420 nan 0.000 0.218 261 P C 0.309 177.678 177.300 0.115 0.000 1.146 261 P CA 1.614 64.789 63.100 0.125 0.000 0.813 261 P CB 0.553 32.334 31.700 0.135 0.000 0.778 262 N N -0.908 117.866 118.700 0.122 0.000 2.203 262 N HA 0.179 4.920 4.740 0.001 0.000 0.207 262 N C 0.617 176.190 175.510 0.105 0.000 1.130 262 N CA -0.059 53.052 53.050 0.101 0.000 0.861 262 N CB 0.537 39.076 38.487 0.087 0.000 1.005 262 N HN 0.109 nan 8.380 nan 0.000 0.507 263 A N 1.275 124.176 122.820 0.134 0.000 2.322 263 A HA 0.575 4.895 4.320 0.001 0.000 0.269 263 A C 0.615 178.251 177.584 0.087 0.000 1.094 263 A CA -0.513 51.592 52.037 0.114 0.000 0.807 263 A CB 0.275 19.353 19.000 0.130 0.000 1.047 263 A HN 0.274 nan 8.150 nan 0.000 0.487 264 I N -1.869 118.742 120.570 0.068 0.000 2.947 264 I HA 0.675 4.845 4.170 0.001 0.000 0.314 264 I C 1.301 177.443 176.117 0.042 0.000 1.028 264 I CA -0.488 60.844 61.300 0.053 0.000 1.077 264 I CB 1.333 39.361 38.000 0.047 0.000 1.274 264 I HN 0.649 nan 8.210 nan 0.000 0.485 265 A N 2.408 125.237 122.820 0.014 0.000 1.909 265 A HA -0.279 4.041 4.320 0.001 0.000 0.221 265 A C 2.381 179.958 177.584 -0.012 0.000 1.223 265 A CA 3.410 55.431 52.037 -0.027 0.000 0.658 265 A CB -1.641 17.312 19.000 -0.078 0.000 0.831 265 A HN 1.032 nan 8.150 nan 0.000 0.462 266 S N -1.312 114.413 115.700 0.041 0.000 2.370 266 S HA -0.188 4.282 4.470 0.001 0.000 0.226 266 S C 1.835 176.583 174.600 0.247 0.000 1.033 266 S CA 2.132 60.458 58.200 0.210 0.000 1.011 266 S CB -1.315 62.089 63.200 0.340 0.000 0.852 266 S HN 0.555 nan 8.310 nan 0.000 0.457 267 T N 2.742 117.378 114.554 0.137 0.000 2.812 267 T HA 0.207 4.557 4.350 0.001 0.000 0.264 267 T C 1.763 176.487 174.700 0.041 0.000 1.042 267 T CA 1.199 63.356 62.100 0.094 0.000 1.140 267 T CB -0.478 68.415 68.868 0.041 0.000 0.870 267 T HN 0.290 nan 8.240 nan 0.000 0.445 268 L N 0.813 122.047 121.223 0.019 0.000 2.083 268 L HA -0.081 4.260 4.340 0.001 0.000 0.209 268 L C 2.612 179.477 176.870 -0.008 0.000 1.083 268 L CA 0.808 55.644 54.840 -0.007 0.000 0.752 268 L CB -0.642 41.437 42.059 0.033 0.000 0.899 268 L HN 0.146 nan 8.230 nan 0.000 0.433 269 V N -0.739 119.177 119.914 0.003 0.000 2.358 269 V HA -0.323 3.797 4.120 0.001 0.000 0.246 269 V C 2.486 178.590 176.094 0.016 0.000 1.047 269 V CA 1.944 64.205 62.300 -0.064 0.000 1.035 269 V CB -0.776 31.057 31.823 0.018 0.000 0.658 269 V HN 0.565 nan 8.190 nan 0.000 0.452 270 H N 0.360 119.487 119.070 0.094 0.000 2.357 270 H HA -0.104 4.452 4.556 0.001 0.000 0.301 270 H C 2.203 177.550 175.328 0.033 0.000 1.082 270 H CA 1.338 57.464 56.048 0.129 0.000 1.342 270 H CB 0.240 30.050 29.762 0.081 0.000 1.389 270 H HN 0.223 nan 8.280 nan 0.000 0.511 271 K N 0.634 120.911 120.400 -0.205 0.000 2.148 271 K HA -0.132 4.188 4.320 0.001 0.000 0.204 271 K C 2.122 178.591 176.600 -0.217 0.000 1.050 271 K CA 0.536 56.608 56.287 -0.358 0.000 0.942 271 K CB -0.884 31.207 32.500 -0.680 0.000 0.724 271 K HN 0.284 nan 8.250 nan 0.000 0.446 272 F N 0.967 120.733 119.950 -0.307 0.000 2.126 272 F HA -0.228 4.300 4.527 0.000 0.000 0.299 272 F C 1.753 177.350 175.800 -0.338 0.000 1.096 272 F CA 1.453 59.277 58.000 -0.293 0.000 1.255 272 F CB -0.207 38.497 39.000 -0.493 0.000 0.997 272 F HN -0.133 nan 8.300 nan 0.000 0.479 273 F N -0.428 119.526 119.950 0.007 0.000 2.259 273 F HA -0.054 4.474 4.527 0.001 0.000 0.298 273 F C 2.069 177.763 175.800 -0.177 0.000 1.088 273 F CA 0.833 58.776 58.000 -0.095 0.000 1.358 273 F CB -1.210 37.747 39.000 -0.071 0.000 1.040 273 F HN 0.051 nan 8.300 nan 0.000 0.505 274 L N -0.263 120.891 121.223 -0.115 0.000 1.994 274 L HA -0.144 4.197 4.340 0.001 0.000 0.208 274 L C 2.268 179.050 176.870 -0.146 0.000 1.071 274 L CA 1.573 56.325 54.840 -0.147 0.000 0.745 274 L CB -0.887 41.029 42.059 -0.238 0.000 0.892 274 L HN -0.046 nan 8.230 nan 0.000 0.431 275 V N -0.553 119.212 119.914 -0.248 0.000 2.261 275 V HA -0.292 3.828 4.120 0.001 0.000 0.246 275 V C 2.272 178.070 176.094 -0.493 0.000 1.047 275 V CA 2.235 64.305 62.300 -0.382 0.000 1.015 275 V CB -0.725 30.764 31.823 -0.557 0.000 0.642 275 V HN 0.376 nan 8.190 nan 0.000 0.446 276 F N 0.826 120.584 119.950 -0.320 0.000 2.615 276 F HA -0.034 4.493 4.527 0.000 0.000 0.297 276 F C 2.598 178.357 175.800 -0.069 0.000 1.124 276 F CA 1.008 58.786 58.000 -0.369 0.000 1.451 276 F CB -0.702 37.674 39.000 -1.039 0.000 1.103 276 F HN 0.246 nan 8.300 nan 0.000 0.569 277 S N -0.291 115.492 115.700 0.137 0.000 2.453 277 S HA -0.089 4.381 4.470 0.001 0.000 0.231 277 S C 1.519 176.269 174.600 0.250 0.000 1.005 277 S CA 0.664 59.078 58.200 0.356 0.000 0.949 277 S CB -0.345 63.038 63.200 0.305 0.000 0.774 277 S HN 0.393 nan 8.310 nan 0.000 0.510 278 K N -0.183 120.283 120.400 0.111 0.000 2.358 278 K HA 0.168 4.489 4.320 0.001 0.000 0.200 278 K C 0.053 176.627 176.600 -0.043 0.000 1.030 278 K CA -0.519 55.788 56.287 0.034 0.000 1.097 278 K CB 0.191 32.672 32.500 -0.033 0.000 0.862 278 K HN 0.439 nan 8.250 nan 0.000 0.534 279 W N 3.145 124.288 121.300 -0.262 0.000 2.223 279 W HA -0.030 4.630 4.660 0.000 0.000 0.334 279 W C -0.239 175.935 176.519 -0.575 0.000 1.334 279 W CA 0.620 57.645 57.345 -0.534 0.000 1.246 279 W CB 0.399 29.372 29.460 -0.813 0.000 1.184 279 W HN 0.087 nan 8.180 nan 0.000 0.563 280 E N 6.149 125.935 120.200 -0.690 0.000 1.964 280 E HA 0.041 4.391 4.350 0.001 0.000 0.264 280 E C -0.627 175.875 176.600 -0.163 0.000 1.120 280 E CA -0.464 55.727 56.400 -0.349 0.000 1.061 280 E CB -0.178 29.326 29.700 -0.326 0.000 1.190 280 E HN 0.262 nan 8.360 nan 0.000 0.459 281 W N 3.396 124.884 121.300 0.314 0.000 2.170 281 W HA 0.105 4.766 4.660 0.000 0.000 0.342 281 W C -1.123 175.507 176.519 0.185 0.000 1.294 281 W CA -1.457 56.076 57.345 0.314 0.000 1.246 281 W CB 0.281 29.904 29.460 0.272 0.000 1.156 281 W HN 0.421 nan 8.180 nan 0.000 0.572 282 P HA 0.015 nan 4.420 nan 0.000 0.249 282 P C -0.538 177.054 177.300 0.487 0.000 1.544 282 P CA -0.008 63.405 63.100 0.522 0.000 0.932 282 P CB -0.097 31.826 31.700 0.372 0.000 1.524 283 N N 3.246 122.169 118.700 0.372 0.000 2.412 283 N HA 0.057 4.797 4.740 0.001 0.000 0.258 283 N C -2.075 173.766 175.510 0.552 0.000 1.236 283 N CA -0.988 52.246 53.050 0.307 0.000 0.882 283 N CB -0.117 38.377 38.487 0.011 0.000 1.066 283 N HN 0.317 nan 8.380 nan 0.000 0.465 284 P HA 0.086 nan 4.420 nan 0.000 0.278 284 P C -0.591 176.949 177.300 0.401 0.000 1.238 284 P CA -0.340 62.987 63.100 0.380 0.000 0.794 284 P CB 0.915 32.778 31.700 0.272 0.000 0.955 285 V N 4.643 124.689 119.914 0.221 0.000 2.368 285 V HA 0.215 4.336 4.120 0.001 0.000 0.266 285 V C 0.585 176.739 176.094 0.099 0.000 1.045 285 V CA -0.135 62.239 62.300 0.123 0.000 0.899 285 V CB 0.101 31.859 31.823 -0.109 0.000 1.006 285 V HN 0.365 nan 8.190 nan 0.000 0.470 286 L N 5.442 126.765 121.223 0.166 0.000 2.346 286 L HA 0.516 4.857 4.340 0.001 0.000 0.274 286 L C 0.625 177.571 176.870 0.127 0.000 1.007 286 L CA -0.508 54.409 54.840 0.130 0.000 0.818 286 L CB 2.219 44.372 42.059 0.156 0.000 1.284 286 L HN 0.484 nan 8.230 nan 0.000 0.424 287 L N 1.809 123.092 121.223 0.100 0.000 2.513 287 L HA 0.206 4.547 4.340 0.001 0.000 0.222 287 L C 0.433 177.360 176.870 0.096 0.000 1.096 287 L CA 0.425 55.324 54.840 0.098 0.000 0.857 287 L CB -0.008 42.096 42.059 0.076 0.000 1.026 287 L HN 0.660 nan 8.230 nan 0.000 0.469 288 K N -1.796 118.658 120.400 0.090 0.000 2.578 288 K HA 0.305 4.625 4.320 0.001 0.000 0.287 288 K C -1.186 175.460 176.600 0.077 0.000 1.010 288 K CA -0.937 55.395 56.287 0.074 0.000 0.889 288 K CB 1.156 33.694 32.500 0.063 0.000 1.514 288 K HN -0.344 nan 8.250 nan 0.000 0.424 289 Q N 2.270 122.105 119.800 0.058 0.000 2.286 289 Q HA 0.228 4.569 4.340 0.001 0.000 0.267 289 Q C -2.000 174.040 176.000 0.066 0.000 1.028 289 Q CA -1.379 54.460 55.803 0.061 0.000 0.901 289 Q CB 0.791 29.551 28.738 0.037 0.000 1.183 289 Q HN 0.446 nan 8.270 nan 0.000 0.392 290 P HA 0.167 nan 4.420 nan 0.000 0.275 290 P C -0.605 176.733 177.300 0.064 0.000 1.227 290 P CA -0.100 63.060 63.100 0.099 0.000 0.781 290 P CB 1.346 33.131 31.700 0.142 0.000 0.906 291 E N 0.628 120.856 120.200 0.046 0.000 2.222 291 E HA 0.221 4.571 4.350 0.001 0.000 0.267 291 E C -0.344 176.238 176.600 -0.030 0.000 0.963 291 E CA -0.820 55.578 56.400 -0.003 0.000 0.837 291 E CB 1.599 31.278 29.700 -0.034 0.000 1.183 291 E HN 0.485 nan 8.360 nan 0.000 0.403 292 E N 1.428 121.594 120.200 -0.056 0.000 2.229 292 E HA 0.203 4.553 4.350 0.001 0.000 0.283 292 E C -1.509 174.981 176.600 -0.182 0.000 1.030 292 E CA -0.400 55.952 56.400 -0.079 0.000 0.836 292 E CB 0.956 30.629 29.700 -0.046 0.000 1.068 292 E HN 0.325 nan 8.360 nan 0.000 0.401 293 C N 4.015 123.132 119.300 -0.304 0.000 2.441 293 C HA 0.454 4.914 4.460 0.001 0.000 0.318 293 C C 1.581 176.429 174.990 -0.237 0.000 1.222 293 C CA 0.253 59.008 59.018 -0.438 0.000 1.474 293 C CB 0.059 27.138 27.740 -1.102 0.000 2.125 293 C HN 1.005 nan 8.230 nan 0.000 0.479 294 N N 3.935 122.548 118.700 -0.146 0.000 2.184 294 N HA -0.107 4.633 4.740 0.001 0.000 0.190 294 N C 0.715 176.222 175.510 -0.005 0.000 1.011 294 N CA 1.451 54.465 53.050 -0.059 0.000 0.867 294 N CB -0.695 37.763 38.487 -0.049 0.000 0.993 294 N HN 0.795 nan 8.380 nan 0.000 0.433 295 L N -0.214 121.020 121.223 0.020 0.000 2.516 295 L HA 0.019 4.359 4.340 0.001 0.000 0.288 295 L C 0.550 177.507 176.870 0.145 0.000 1.246 295 L CA 0.049 54.958 54.840 0.115 0.000 0.844 295 L CB 0.216 42.419 42.059 0.240 0.000 1.106 295 L HN 0.388 nan 8.230 nan 0.000 0.509 296 N N 2.344 121.105 118.700 0.101 0.000 3.271 296 N HA 0.347 5.088 4.740 0.001 0.000 0.303 296 N C -1.011 174.541 175.510 0.070 0.000 1.415 296 N CA -0.109 52.988 53.050 0.079 0.000 1.159 296 N CB -0.064 38.449 38.487 0.044 0.000 1.432 296 N HN 0.385 nan 8.380 nan 0.000 0.521 297 L N 0.640 121.920 121.223 0.094 0.000 2.334 297 L HA 0.635 4.976 4.340 0.001 0.000 0.272 297 L C -1.864 175.012 176.870 0.009 0.000 1.020 297 L CA -2.302 52.544 54.840 0.010 0.000 0.812 297 L CB 1.246 43.238 42.059 -0.113 0.000 1.264 297 L HN 0.168 nan 8.230 nan 0.000 0.439 298 P HA 0.106 nan 4.420 nan 0.000 0.267 298 P C -1.154 176.161 177.300 0.025 0.000 1.209 298 P CA 0.014 63.126 63.100 0.021 0.000 0.763 298 P CB 0.636 32.354 31.700 0.030 0.000 0.816 299 V N 4.591 124.545 119.914 0.067 0.000 2.525 299 V HA 0.224 4.345 4.120 0.001 0.000 0.299 299 V C -0.621 175.563 176.094 0.149 0.000 1.034 299 V CA -0.850 61.521 62.300 0.119 0.000 0.863 299 V CB 1.559 33.476 31.823 0.157 0.000 0.999 299 V HN 0.604 nan 8.190 nan 0.000 0.423 300 W N 5.735 127.062 121.300 0.045 0.000 2.397 300 W HA 0.440 5.101 4.660 0.001 0.000 0.327 300 W C -0.001 176.546 176.519 0.047 0.000 1.421 300 W CA 0.718 58.095 57.345 0.052 0.000 1.288 300 W CB 0.371 29.886 29.460 0.092 0.000 1.312 300 W HN 0.682 nan 8.180 nan 0.000 0.559 301 D N 7.463 127.479 120.400 -0.640 0.000 2.266 301 D HA 0.098 4.738 4.640 0.001 0.000 0.218 301 D C -2.086 173.840 176.300 -0.622 0.000 1.311 301 D CA -1.339 52.318 54.000 -0.572 0.000 0.918 301 D CB 1.327 42.017 40.800 -0.184 0.000 1.530 301 D HN 0.053 nan 8.370 nan 0.000 0.514 302 P HA -0.101 nan 4.420 nan 0.000 0.218 302 P C 1.367 178.496 177.300 -0.285 0.000 1.146 302 P CA 0.771 63.561 63.100 -0.517 0.000 0.813 302 P CB 0.278 31.701 31.700 -0.461 0.000 0.778 303 R N 0.246 120.607 120.500 -0.231 0.000 2.092 303 R HA -0.078 4.262 4.340 0.001 0.000 0.231 303 R C 1.507 177.734 176.300 -0.120 0.000 1.119 303 R CA 1.778 57.795 56.100 -0.138 0.000 0.970 303 R CB -0.252 29.990 30.300 -0.097 0.000 0.864 303 R HN 0.192 nan 8.270 nan 0.000 0.440 304 V N -2.810 117.023 119.914 -0.135 0.000 3.605 304 V HA 0.298 4.418 4.120 0.001 0.000 0.284 304 V C -0.131 175.899 176.094 -0.107 0.000 1.386 304 V CA -0.343 61.897 62.300 -0.100 0.000 1.053 304 V CB 0.364 32.144 31.823 -0.072 0.000 0.857 304 V HN 0.094 nan 8.190 nan 0.000 0.436 305 N N 1.258 119.863 118.700 -0.159 0.000 2.623 305 N HA 0.469 5.210 4.740 0.001 0.000 0.256 305 N C -2.323 173.094 175.510 -0.155 0.000 1.045 305 N CA -1.893 51.069 53.050 -0.147 0.000 0.863 305 N CB 2.173 40.555 38.487 -0.174 0.000 1.182 305 N HN -0.004 nan 8.380 nan 0.000 0.523 306 P HA -0.125 nan 4.420 nan 0.000 0.218 306 P C 1.322 178.644 177.300 0.037 0.000 1.146 306 P CA 0.967 64.039 63.100 -0.047 0.000 0.813 306 P CB 0.469 32.169 31.700 0.001 0.000 0.778 307 S N -0.793 114.927 115.700 0.034 0.000 2.402 307 S HA -0.155 4.316 4.470 0.001 0.000 0.229 307 S C 1.538 176.139 174.600 0.002 0.000 1.021 307 S CA 1.392 59.654 58.200 0.103 0.000 0.974 307 S CB -0.980 62.226 63.200 0.010 0.000 0.800 307 S HN 0.070 nan 8.310 nan 0.000 0.484 308 D N 0.956 121.196 120.400 -0.266 0.000 2.312 308 D HA 0.011 4.652 4.640 0.001 0.000 0.211 308 D C 1.940 178.002 176.300 -0.397 0.000 0.964 308 D CA 0.505 54.121 54.000 -0.640 0.000 0.877 308 D CB -0.228 40.037 40.800 -0.890 0.000 0.924 308 D HN 0.472 nan 8.370 nan 0.000 0.515 309 R N -0.450 119.926 120.500 -0.207 0.000 2.235 309 R HA -0.066 4.274 4.340 0.001 0.000 0.213 309 R C 1.404 177.637 176.300 -0.110 0.000 1.059 309 R CA 0.570 56.570 56.100 -0.167 0.000 0.997 309 R CB -0.113 30.034 30.300 -0.255 0.000 0.884 309 R HN 0.312 nan 8.270 nan 0.000 0.462 310 Y N -0.302 120.004 120.300 0.009 0.000 2.519 310 Y HA 0.032 4.582 4.550 0.001 0.000 0.287 310 Y C 0.579 176.627 175.900 0.247 0.000 1.128 310 Y CA 0.081 58.248 58.100 0.113 0.000 1.282 310 Y CB -0.142 38.383 38.460 0.109 0.000 1.027 310 Y HN 0.082 nan 8.280 nan 0.000 0.551 311 H N 0.836 120.093 119.070 0.311 0.000 3.034 311 H HA -0.012 4.544 4.556 0.001 0.000 0.324 311 H C 0.762 176.216 175.328 0.211 0.000 1.015 311 H CA -0.156 56.053 56.048 0.269 0.000 1.429 311 H CB 0.922 30.910 29.762 0.377 0.000 1.429 311 H HN 0.222 nan 8.280 nan 0.000 0.585 312 L N 2.637 123.996 121.223 0.227 0.000 2.416 312 L HA 0.112 4.452 4.340 0.001 0.000 0.216 312 L C 1.105 178.023 176.870 0.080 0.000 1.098 312 L CA 0.718 55.643 54.840 0.140 0.000 0.840 312 L CB 0.362 42.446 42.059 0.042 0.000 0.981 312 L HN 0.597 nan 8.230 nan 0.000 0.462 313 M N 0.897 120.469 119.600 -0.047 0.000 3.432 313 M HA 0.326 4.806 4.480 0.001 0.000 0.390 313 M C -2.817 173.359 176.300 -0.207 0.000 1.811 313 M CA -1.429 53.673 55.300 -0.329 0.000 0.536 313 M CB 1.445 33.551 32.600 -0.823 0.000 1.681 313 M HN -0.271 nan 8.290 nan 0.000 0.462 314 P HA 0.280 nan 4.420 nan 0.000 0.271 314 P C -1.009 176.219 177.300 -0.121 0.000 1.226 314 P CA 0.269 63.304 63.100 -0.107 0.000 0.765 314 P CB 0.423 32.030 31.700 -0.155 0.000 0.835 315 I N 4.727 125.149 120.570 -0.247 0.000 2.521 315 I HA 0.266 4.436 4.170 0.001 0.000 0.277 315 I C -0.240 175.738 176.117 -0.232 0.000 1.054 315 I CA -0.838 60.341 61.300 -0.203 0.000 1.117 315 I CB 1.105 38.965 38.000 -0.234 0.000 1.217 315 I HN 0.075 nan 8.210 nan 0.000 0.469 316 I N 4.597 125.033 120.570 -0.223 0.000 2.416 316 I HA 0.130 4.301 4.170 0.001 0.000 0.288 316 I C 1.146 177.228 176.117 -0.059 0.000 1.051 316 I CA -0.209 60.981 61.300 -0.183 0.000 1.375 316 I CB 0.811 38.712 38.000 -0.165 0.000 1.407 316 I HN 0.536 nan 8.210 nan 0.000 0.516 317 T N 5.007 119.541 114.554 -0.034 0.000 2.916 317 T HA 0.188 4.538 4.350 0.001 0.000 0.303 317 T C -1.320 173.401 174.700 0.035 0.000 1.025 317 T CA -1.124 60.979 62.100 0.005 0.000 1.142 317 T CB 0.922 69.797 68.868 0.011 0.000 0.947 317 T HN 0.526 nan 8.240 nan 0.000 0.544 318 P HA 0.130 nan 4.420 nan 0.000 0.229 318 P C 0.380 177.721 177.300 0.068 0.000 1.160 318 P CA 0.225 63.361 63.100 0.060 0.000 0.777 318 P CB 0.036 31.770 31.700 0.056 0.000 0.814 319 A N 0.054 122.906 122.820 0.052 0.000 2.310 319 A HA 0.313 4.633 4.320 0.001 0.000 0.299 319 A C -0.708 176.922 177.584 0.077 0.000 1.147 319 A CA -0.603 51.468 52.037 0.057 0.000 0.818 319 A CB -0.139 18.871 19.000 0.016 0.000 1.096 319 A HN 0.100 nan 8.150 nan 0.000 0.495 320 Y N 4.626 124.930 120.300 0.007 0.000 2.526 320 Y HA 0.371 4.921 4.550 0.001 0.000 0.330 320 Y C -1.986 173.917 175.900 0.005 0.000 1.156 320 Y CA -1.700 56.409 58.100 0.015 0.000 1.419 320 Y CB 0.678 39.141 38.460 0.005 0.000 1.250 320 Y HN 0.462 nan 8.280 nan 0.000 0.540 321 P HA 0.063 nan 4.420 nan 0.000 0.287 321 P C -1.425 175.773 177.300 -0.170 0.000 1.281 321 P CA -0.486 62.163 63.100 -0.751 0.000 0.781 321 P CB 1.236 32.485 31.700 -0.751 0.000 0.903 322 Q N 3.082 122.896 119.800 0.023 0.000 2.332 322 Q HA 0.228 4.568 4.340 0.001 0.000 0.263 322 Q C -0.239 175.840 176.000 0.131 0.000 0.979 322 Q CA 0.140 55.999 55.803 0.093 0.000 0.885 322 Q CB 0.828 29.663 28.738 0.161 0.000 1.218 322 Q HN 0.476 nan 8.270 nan 0.000 0.405 323 Q N 1.474 121.330 119.800 0.093 0.000 2.484 323 Q HA 0.335 4.675 4.340 0.001 0.000 0.285 323 Q C -0.960 175.035 176.000 -0.009 0.000 1.097 323 Q CA -0.669 55.203 55.803 0.115 0.000 0.802 323 Q CB 2.151 30.947 28.738 0.097 0.000 1.444 323 Q HN 0.802 nan 8.270 nan 0.000 0.429 324 N N 0.145 118.820 118.700 -0.041 0.000 2.415 324 N HA 0.017 4.757 4.740 0.001 0.000 0.246 324 N C 0.895 176.380 175.510 -0.041 0.000 1.078 324 N CA 0.095 53.008 53.050 -0.228 0.000 0.942 324 N CB 0.632 38.970 38.487 -0.248 0.000 1.140 324 N HN 0.558 nan 8.380 nan 0.000 0.501 325 S N 1.535 117.160 115.700 -0.125 0.000 2.507 325 S HA -0.104 4.367 4.470 0.001 0.000 0.235 325 S C 0.996 175.452 174.600 -0.241 0.000 0.988 325 S CA 0.976 59.097 58.200 -0.132 0.000 0.944 325 S CB -0.177 62.938 63.200 -0.140 0.000 0.762 325 S HN 0.643 nan 8.310 nan 0.000 0.526 326 T N -0.862 113.528 114.554 -0.273 0.000 3.355 326 T HA 0.316 4.666 4.350 0.001 0.000 0.276 326 T C 0.635 175.124 174.700 -0.353 0.000 1.003 326 T CA -0.555 61.330 62.100 -0.360 0.000 0.943 326 T CB -0.907 67.737 68.868 -0.374 0.000 1.158 326 T HN 0.535 nan 8.240 nan 0.000 0.513 327 Y N 0.131 120.230 120.300 -0.335 0.000 2.616 327 Y HA 0.304 4.854 4.550 0.001 0.000 0.296 327 Y C 1.477 177.180 175.900 -0.328 0.000 1.154 327 Y CA -0.291 57.534 58.100 -0.458 0.000 1.325 327 Y CB -0.812 37.306 38.460 -0.569 0.000 1.007 327 Y HN 0.152 nan 8.280 nan 0.000 0.542 328 N N 0.580 118.930 118.700 -0.585 0.000 2.463 328 N HA 0.002 4.743 4.740 0.001 0.000 0.181 328 N C -0.061 175.254 175.510 -0.325 0.000 1.078 328 N CA 0.297 53.092 53.050 -0.425 0.000 0.902 328 N CB 0.084 38.282 38.487 -0.481 0.000 0.970 328 N HN 0.179 nan 8.380 nan 0.000 0.451 329 V N 1.906 121.621 119.914 -0.331 0.000 2.599 329 V HA 0.024 4.145 4.120 0.001 0.000 0.300 329 V C 0.814 176.765 176.094 -0.239 0.000 1.034 329 V CA -0.009 62.095 62.300 -0.327 0.000 1.115 329 V CB 0.660 32.279 31.823 -0.341 0.000 0.934 329 V HN 0.265 nan 8.190 nan 0.000 0.485 330 S N 3.653 119.200 115.700 -0.255 0.000 2.726 330 S HA 0.508 4.978 4.470 0.001 0.000 0.308 330 S C 0.804 175.309 174.600 -0.158 0.000 1.115 330 S CA -0.558 57.538 58.200 -0.174 0.000 0.965 330 S CB 1.594 64.687 63.200 -0.179 0.000 1.145 330 S HN 0.229 nan 8.310 nan 0.000 0.532 331 V N 1.580 121.435 119.914 -0.098 0.000 2.324 331 V HA -0.191 3.929 4.120 0.001 0.000 0.250 331 V C 2.733 178.769 176.094 -0.097 0.000 1.060 331 V CA 2.638 64.896 62.300 -0.070 0.000 1.042 331 V CB -1.407 30.395 31.823 -0.035 0.000 0.650 331 V HN 0.924 nan 8.190 nan 0.000 0.450 332 S N 0.196 115.819 115.700 -0.129 0.000 2.348 332 S HA -0.216 4.255 4.470 0.001 0.000 0.221 332 S C 2.234 176.725 174.600 -0.180 0.000 1.033 332 S CA 2.090 60.207 58.200 -0.139 0.000 1.010 332 S CB -0.576 62.532 63.200 -0.153 0.000 0.891 332 S HN 0.884 nan 8.310 nan 0.000 0.442 333 T N 1.124 115.492 114.554 -0.310 0.000 2.746 333 T HA -0.106 4.245 4.350 0.001 0.000 0.267 333 T C 1.845 176.394 174.700 -0.251 0.000 1.039 333 T CA 1.150 62.977 62.100 -0.454 0.000 1.142 333 T CB -0.399 67.908 68.868 -0.935 0.000 0.866 333 T HN 0.265 nan 8.240 nan 0.000 0.444 334 R N 0.495 120.851 120.500 -0.240 0.000 2.083 334 R HA -0.016 4.324 4.340 0.001 0.000 0.237 334 R C 2.630 178.875 176.300 -0.092 0.000 1.137 334 R CA 1.705 57.682 56.100 -0.205 0.000 0.951 334 R CB -0.523 29.653 30.300 -0.208 0.000 0.851 334 R HN 0.508 nan 8.270 nan 0.000 0.434 335 M N 0.392 119.959 119.600 -0.055 0.000 2.108 335 M HA -0.166 4.315 4.480 0.001 0.000 0.261 335 M C 2.044 178.352 176.300 0.013 0.000 1.066 335 M CA 1.525 56.829 55.300 0.007 0.000 1.107 335 M CB 0.105 32.707 32.600 0.004 0.000 1.356 335 M HN 0.070 nan 8.290 nan 0.000 0.406 336 V N 0.515 120.416 119.914 -0.022 0.000 2.307 336 V HA -0.308 3.812 4.120 0.001 0.000 0.245 336 V C 2.298 178.375 176.094 -0.029 0.000 1.045 336 V CA 1.959 64.248 62.300 -0.019 0.000 1.024 336 V CB -0.522 31.224 31.823 -0.129 0.000 0.651 336 V HN 0.545 nan 8.190 nan 0.000 0.449 337 M N -0.895 118.668 119.600 -0.062 0.000 2.175 337 M HA -0.135 4.345 4.480 0.001 0.000 0.264 337 M C 2.196 178.274 176.300 -0.369 0.000 1.063 337 M CA 1.367 56.520 55.300 -0.245 0.000 1.119 337 M CB -0.456 31.999 32.600 -0.242 0.000 1.377 337 M HN 0.228 nan 8.290 nan 0.000 0.415 338 V N 0.461 120.353 119.914 -0.036 0.000 2.295 338 V HA -0.260 3.861 4.120 0.001 0.000 0.246 338 V C 2.326 178.545 176.094 0.209 0.000 1.049 338 V CA 2.262 64.700 62.300 0.230 0.000 1.024 338 V CB -0.684 31.310 31.823 0.285 0.000 0.648 338 V HN 0.447 nan 8.190 nan 0.000 0.447 339 E N 0.260 120.536 120.200 0.126 0.000 2.110 339 E HA -0.212 4.139 4.350 0.001 0.000 0.193 339 E C 2.127 178.812 176.600 0.142 0.000 0.988 339 E CA 1.334 57.813 56.400 0.132 0.000 0.804 339 E CB -0.213 29.550 29.700 0.105 0.000 0.745 339 E HN 0.537 nan 8.360 nan 0.000 0.458 340 E N -0.359 119.902 120.200 0.102 0.000 2.106 340 E HA -0.140 4.211 4.350 0.001 0.000 0.192 340 E C 1.902 178.736 176.600 0.391 0.000 0.984 340 E CA 0.709 57.223 56.400 0.190 0.000 0.806 340 E CB -0.409 29.355 29.700 0.106 0.000 0.750 340 E HN 0.353 nan 8.360 nan 0.000 0.458 341 F N 1.593 121.812 119.950 0.448 0.000 2.171 341 F HA -0.104 4.423 4.527 0.000 0.000 0.300 341 F C 2.233 178.138 175.800 0.175 0.000 1.090 341 F CA 0.869 59.117 58.000 0.412 0.000 1.293 341 F CB -0.568 38.717 39.000 0.475 0.000 1.013 341 F HN -0.018 nan 8.300 nan 0.000 0.486 342 K N -0.089 120.516 120.400 0.342 0.000 2.057 342 K HA -0.182 4.139 4.320 0.001 0.000 0.206 342 K C 2.030 178.677 176.600 0.077 0.000 1.050 342 K CA 1.423 57.823 56.287 0.188 0.000 0.935 342 K CB -0.365 32.236 32.500 0.169 0.000 0.715 342 K HN 0.338 nan 8.250 nan 0.000 0.439 343 Q N -0.227 119.616 119.800 0.071 0.000 2.167 343 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 343 Q C 2.231 178.155 176.000 -0.126 0.000 0.970 343 Q CA 1.287 57.097 55.803 0.013 0.000 0.855 343 Q CB -0.116 28.661 28.738 0.066 0.000 0.911 343 Q HN 0.463 nan 8.270 nan 0.000 0.438 344 G N 1.011 109.623 108.800 -0.313 0.000 2.402 344 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 344 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 344 G C 1.367 175.762 174.900 -0.843 0.000 1.162 344 G CA 0.544 45.024 45.100 -1.034 0.000 0.777 344 G HN 0.258 nan 8.290 nan 0.000 0.539 345 L N 1.489 122.479 121.223 -0.388 0.000 2.017 345 L HA 0.122 4.462 4.340 0.001 0.000 0.208 345 L C 3.045 179.908 176.870 -0.011 0.000 1.073 345 L CA 2.226 57.037 54.840 -0.049 0.000 0.745 345 L CB -0.810 41.281 42.059 0.053 0.000 0.894 345 L HN 0.230 nan 8.230 nan 0.000 0.432 346 A N -0.151 122.645 122.820 -0.040 0.000 1.883 346 A HA -0.216 4.104 4.320 0.001 0.000 0.217 346 A C 2.286 179.842 177.584 -0.046 0.000 1.186 346 A CA 2.300 54.326 52.037 -0.019 0.000 0.624 346 A CB -0.954 18.038 19.000 -0.014 0.000 0.822 346 A HN 0.544 nan 8.150 nan 0.000 0.444 347 I N 0.228 120.741 120.570 -0.095 0.000 2.252 347 I HA -0.223 3.948 4.170 0.001 0.000 0.245 347 I C 2.788 178.824 176.117 -0.135 0.000 1.102 347 I CA 1.805 63.037 61.300 -0.113 0.000 1.385 347 I CB -0.642 37.280 38.000 -0.130 0.000 1.064 347 I HN 0.550 nan 8.210 nan 0.000 0.414 348 T N -2.542 111.962 114.554 -0.082 0.000 2.915 348 T HA -0.140 4.211 4.350 0.001 0.000 0.269 348 T C 1.525 176.179 174.700 -0.078 0.000 1.071 348 T CA 1.061 63.140 62.100 -0.035 0.000 1.132 348 T CB -0.343 68.710 68.868 0.309 0.000 0.878 348 T HN 0.206 nan 8.240 nan 0.000 0.479 349 D N 1.658 122.059 120.400 0.001 0.000 2.117 349 D HA -0.063 4.577 4.640 0.001 0.000 0.197 349 D C 2.238 178.460 176.300 -0.130 0.000 0.987 349 D CA 1.172 55.133 54.000 -0.065 0.000 0.829 349 D CB -0.179 40.635 40.800 0.023 0.000 0.961 349 D HN 0.627 nan 8.370 nan 0.000 0.460 350 E N 0.312 120.442 120.200 -0.117 0.000 2.051 350 E HA -0.118 4.233 4.350 0.001 0.000 0.192 350 E C 2.402 178.889 176.600 -0.189 0.000 0.991 350 E CA 0.494 56.818 56.400 -0.127 0.000 0.799 350 E CB -0.037 29.600 29.700 -0.106 0.000 0.748 350 E HN 0.298 nan 8.360 nan 0.000 0.449 351 I N 1.131 121.533 120.570 -0.280 0.000 2.208 351 I HA -0.297 3.874 4.170 0.001 0.000 0.245 351 I C 2.283 178.189 176.117 -0.352 0.000 1.097 351 I CA 1.098 62.145 61.300 -0.420 0.000 1.363 351 I CB -0.269 37.260 38.000 -0.786 0.000 1.051 351 I HN 0.128 nan 8.210 nan 0.000 0.413 352 L N 0.044 121.078 121.223 -0.315 0.000 2.275 352 L HA -0.153 4.188 4.340 0.001 0.000 0.215 352 L C 2.038 178.807 176.870 -0.168 0.000 1.119 352 L CA 0.949 55.642 54.840 -0.245 0.000 0.790 352 L CB -0.295 41.578 42.059 -0.312 0.000 0.919 352 L HN 0.310 nan 8.230 nan 0.000 0.443 353 L N -1.374 119.757 121.223 -0.154 0.000 2.607 353 L HA 0.120 4.461 4.340 0.001 0.000 0.228 353 L C 0.840 177.654 176.870 -0.093 0.000 1.123 353 L CA -0.119 54.658 54.840 -0.104 0.000 0.890 353 L CB 0.122 42.129 42.059 -0.087 0.000 1.103 353 L HN 0.150 nan 8.230 nan 0.000 0.468 354 S N 0.007 115.636 115.700 -0.118 0.000 3.635 354 S HA -0.187 4.283 4.470 0.001 0.000 0.328 354 S C 0.993 175.544 174.600 -0.083 0.000 1.135 354 S CA 0.843 58.984 58.200 -0.098 0.000 0.942 354 S CB -1.100 62.062 63.200 -0.063 0.000 0.930 354 S HN 0.529 nan 8.310 nan 0.000 0.512 355 K N -0.076 120.267 120.400 -0.095 0.000 2.358 355 K HA 0.545 4.866 4.320 0.001 0.000 0.197 355 K C 0.372 176.926 176.600 -0.077 0.000 1.025 355 K CA 0.708 56.952 56.287 -0.072 0.000 1.104 355 K CB 0.879 33.340 32.500 -0.064 0.000 0.855 355 K HN 0.496 nan 8.250 nan 0.000 0.531 356 A N 0.950 123.705 122.820 -0.109 0.000 2.608 356 A HA 0.428 4.748 4.320 0.001 0.000 0.292 356 A C -1.452 176.043 177.584 -0.148 0.000 1.066 356 A CA -0.920 51.053 52.037 -0.107 0.000 0.676 356 A CB 1.235 20.166 19.000 -0.115 0.000 1.277 356 A HN -0.073 nan 8.150 nan 0.000 0.413 357 E N -0.245 119.902 120.200 -0.089 0.000 2.232 357 E HA 0.292 4.642 4.350 0.001 0.000 0.265 357 E C 0.109 176.687 176.600 -0.037 0.000 1.001 357 E CA -0.612 55.753 56.400 -0.059 0.000 0.870 357 E CB 0.601 30.336 29.700 0.058 0.000 1.175 357 E HN 0.764 nan 8.360 nan 0.000 0.407 358 W N 1.071 122.421 121.300 0.083 0.000 2.364 358 W HA -0.209 4.452 4.660 0.002 0.000 0.281 358 W C 2.279 178.889 176.519 0.153 0.000 1.219 358 W CA 1.469 58.876 57.345 0.103 0.000 1.220 358 W CB -0.121 29.466 29.460 0.212 0.000 1.127 358 W HN 0.534 nan 8.180 nan 0.000 0.556 359 S N 0.261 116.206 115.700 0.409 0.000 2.419 359 S HA -0.267 4.203 4.470 0.001 0.000 0.235 359 S C 1.733 176.492 174.600 0.265 0.000 1.019 359 S CA 1.480 59.917 58.200 0.396 0.000 0.982 359 S CB -0.481 62.893 63.200 0.290 0.000 0.789 359 S HN 0.424 nan 8.310 nan 0.000 0.490 360 K N 0.413 120.898 120.400 0.140 0.000 2.148 360 K HA 0.036 4.357 4.320 0.001 0.000 0.204 360 K C 2.063 178.696 176.600 0.053 0.000 1.050 360 K CA 1.008 57.342 56.287 0.077 0.000 0.942 360 K CB -0.271 32.239 32.500 0.016 0.000 0.724 360 K HN 0.387 nan 8.250 nan 0.000 0.446 361 L N 0.395 121.590 121.223 -0.046 0.000 2.141 361 L HA -0.027 4.313 4.340 0.001 0.000 0.209 361 L C 0.966 177.754 176.870 -0.138 0.000 1.094 361 L CA 1.583 56.317 54.840 -0.177 0.000 0.763 361 L CB -0.150 41.666 42.059 -0.406 0.000 0.908 361 L HN 0.076 nan 8.230 nan 0.000 0.437 362 F N -0.191 119.915 119.950 0.260 0.000 2.645 362 F HA 0.279 4.806 4.527 0.001 0.000 0.300 362 F C 0.902 176.768 175.800 0.109 0.000 1.115 362 F CA -0.740 57.334 58.000 0.123 0.000 1.355 362 F CB -0.683 38.196 39.000 -0.202 0.000 1.026 362 F HN 0.024 nan 8.300 nan 0.000 0.536 363 E N 1.205 121.538 120.200 0.221 0.000 2.344 363 E HA 0.391 4.741 4.350 0.001 0.000 0.270 363 E C 0.057 176.614 176.600 -0.072 0.000 1.021 363 E CA -0.358 56.110 56.400 0.114 0.000 0.887 363 E CB 0.989 30.740 29.700 0.085 0.000 0.997 363 E HN 0.170 nan 8.360 nan 0.000 0.429 364 A N 5.934 128.695 122.820 -0.098 0.000 2.650 364 A HA 0.316 4.637 4.320 0.001 0.000 0.320 364 A C -2.118 175.343 177.584 -0.206 0.000 1.466 364 A CA -1.388 50.500 52.037 -0.249 0.000 1.099 364 A CB -0.274 18.626 19.000 -0.165 0.000 1.136 364 A HN 0.404 nan 8.150 nan 0.000 0.532 365 P HA -0.050 nan 4.420 nan 0.000 0.269 365 P C 0.007 177.222 177.300 -0.142 0.000 1.211 365 P CA -0.191 62.821 63.100 -0.146 0.000 0.781 365 P CB 0.424 32.045 31.700 -0.132 0.000 0.877 366 N N 1.677 120.313 118.700 -0.106 0.000 2.402 366 N HA -0.018 4.723 4.740 0.001 0.000 0.259 366 N C 0.623 176.049 175.510 -0.140 0.000 1.167 366 N CA 0.056 53.038 53.050 -0.113 0.000 0.949 366 N CB -0.373 38.090 38.487 -0.040 0.000 1.212 366 N HN 0.333 nan 8.380 nan 0.000 0.493 367 F N 4.393 124.090 119.950 -0.422 0.000 2.161 367 F HA -0.112 4.415 4.527 0.001 0.000 0.300 367 F C 1.006 176.703 175.800 -0.171 0.000 1.089 367 F CA 1.248 59.025 58.000 -0.372 0.000 1.282 367 F CB -0.069 38.600 39.000 -0.552 0.000 1.010 367 F HN 0.404 nan 8.300 nan 0.000 0.485 368 F N 0.514 120.511 119.950 0.079 0.000 2.788 368 F HA 0.003 4.530 4.527 0.000 0.000 0.300 368 F C 1.589 177.328 175.800 -0.102 0.000 1.229 368 F CA 0.585 58.502 58.000 -0.137 0.000 1.446 368 F CB -1.015 37.905 39.000 -0.134 0.000 1.118 368 F HN 0.222 nan 8.300 nan 0.000 0.579 369 Q N -0.793 119.059 119.800 0.087 0.000 2.089 369 Q HA 0.038 4.379 4.340 0.001 0.000 0.227 369 Q C 1.764 177.755 176.000 -0.015 0.000 0.774 369 Q CA -0.053 55.797 55.803 0.078 0.000 0.960 369 Q CB 0.388 29.145 28.738 0.032 0.000 1.179 369 Q HN 0.435 nan 8.270 nan 0.000 0.460 370 K N -0.685 119.602 120.400 -0.189 0.000 2.432 370 K HA 0.027 4.348 4.320 0.001 0.000 0.196 370 K C -0.188 176.043 176.600 -0.616 0.000 1.038 370 K CA 0.733 56.757 56.287 -0.440 0.000 0.986 370 K CB 0.218 32.329 32.500 -0.648 0.000 0.782 370 K HN -0.078 nan 8.250 nan 0.000 0.485 371 Y N 0.840 121.047 120.300 -0.156 0.000 2.524 371 Y HA 0.341 4.892 4.550 0.002 0.000 0.344 371 Y C 0.723 176.475 175.900 -0.246 0.000 1.012 371 Y CA -1.476 56.418 58.100 -0.343 0.000 1.068 371 Y CB 2.038 40.040 38.460 -0.764 0.000 1.249 371 Y HN -0.281 nan 8.280 nan 0.000 0.468 372 K N 0.113 120.521 120.400 0.014 0.000 2.243 372 K HA 0.076 4.397 4.320 0.001 0.000 0.201 372 K C -0.229 176.290 176.600 -0.134 0.000 1.051 372 K CA 0.763 57.056 56.287 0.010 0.000 0.970 372 K CB 0.192 32.756 32.500 0.107 0.000 0.755 372 K HN 0.539 nan 8.250 nan 0.000 0.465 373 H N -1.180 117.847 119.070 -0.071 0.000 2.768 373 H HA 0.321 4.877 4.556 0.001 0.000 0.371 373 H C -1.193 173.964 175.328 -0.283 0.000 1.151 373 H CA -0.615 55.467 56.048 0.056 0.000 1.165 373 H CB 1.571 31.478 29.762 0.243 0.000 1.722 373 H HN -0.149 nan 8.280 nan 0.000 0.543 374 Y N 0.162 120.636 120.300 0.289 0.000 2.615 374 Y HA 0.469 5.019 4.550 0.000 0.000 0.341 374 Y C -0.244 175.785 175.900 0.216 0.000 1.089 374 Y CA -0.796 57.421 58.100 0.196 0.000 1.049 374 Y CB 2.090 40.682 38.460 0.220 0.000 1.296 374 Y HN 0.335 nan 8.280 nan 0.000 0.470 375 I N 1.892 122.664 120.570 0.336 0.000 2.498 375 I HA 0.477 4.647 4.170 0.001 0.000 0.290 375 I C -1.300 174.967 176.117 0.251 0.000 1.032 375 I CA -1.042 60.401 61.300 0.238 0.000 1.073 375 I CB 1.956 40.020 38.000 0.105 0.000 1.251 375 I HN 0.202 nan 8.210 nan 0.000 0.426 376 V N 6.558 126.603 119.914 0.220 0.000 2.398 376 V HA 0.370 4.490 4.120 0.001 0.000 0.286 376 V C -0.448 175.749 176.094 0.172 0.000 1.026 376 V CA -0.644 61.771 62.300 0.191 0.000 0.868 376 V CB 1.913 33.828 31.823 0.154 0.000 0.982 376 V HN 0.372 nan 8.190 nan 0.000 0.443 377 L N 6.861 128.200 121.223 0.192 0.000 2.287 377 L HA 0.645 4.985 4.340 0.001 0.000 0.287 377 L C -0.804 176.211 176.870 0.241 0.000 1.022 377 L CA 0.009 54.975 54.840 0.209 0.000 0.814 377 L CB 1.208 43.382 42.059 0.192 0.000 1.217 377 L HN 0.547 nan 8.230 nan 0.000 0.420 378 L N 5.173 126.511 121.223 0.192 0.000 2.322 378 L HA 0.887 5.227 4.340 0.001 0.000 0.281 378 L C -0.393 176.606 176.870 0.214 0.000 1.014 378 L CA -0.355 54.589 54.840 0.173 0.000 0.815 378 L CB 1.834 43.973 42.059 0.133 0.000 1.247 378 L HN 0.800 nan 8.230 nan 0.000 0.421 379 A N 2.325 125.285 122.820 0.234 0.000 2.374 379 A HA 0.884 5.205 4.320 0.001 0.000 0.305 379 A C -0.704 177.088 177.584 0.347 0.000 1.053 379 A CA -0.410 51.819 52.037 0.319 0.000 0.726 379 A CB 1.751 20.877 19.000 0.210 0.000 1.229 379 A HN 0.615 nan 8.150 nan 0.000 0.431 380 S N 0.399 116.380 115.700 0.468 0.000 2.607 380 S HA 0.956 5.426 4.470 0.001 0.000 0.273 380 S C -0.515 174.238 174.600 0.255 0.000 1.148 380 S CA -0.117 58.276 58.200 0.322 0.000 0.833 380 S CB 1.658 64.983 63.200 0.208 0.000 1.130 380 S HN 2.400 nan 8.310 nan 0.000 0.470 381 A N 1.040 123.974 122.820 0.190 0.000 2.593 381 A HA 0.922 5.242 4.320 0.001 0.000 0.290 381 A C -2.460 175.201 177.584 0.129 0.000 1.126 381 A CA -1.636 50.430 52.037 0.049 0.000 0.695 381 A CB 0.731 19.734 19.000 0.004 0.000 1.290 381 A HN 0.602 nan 8.150 nan 0.000 0.414 382 P HA 0.002 nan 4.420 nan 0.000 0.221 382 P C 0.601 177.998 177.300 0.162 0.000 1.150 382 P CA 1.803 64.967 63.100 0.108 0.000 0.800 382 P CB 0.012 31.711 31.700 -0.002 0.000 0.787 383 T N -4.264 110.212 114.554 -0.130 0.000 2.906 383 T HA 0.362 4.713 4.350 0.001 0.000 0.295 383 T C 0.813 174.936 174.700 -0.962 0.000 1.075 383 T CA -0.613 61.111 62.100 -0.626 0.000 1.005 383 T CB 2.582 71.242 68.868 -0.346 0.000 1.136 383 T HN -0.257 nan 8.240 nan 0.000 0.498 384 E N 1.098 120.374 120.200 -1.541 0.000 2.160 384 E HA -0.147 4.203 4.350 0.001 0.000 0.195 384 E C 1.884 178.287 176.600 -0.327 0.000 0.991 384 E CA 1.571 57.485 56.400 -0.811 0.000 0.810 384 E CB -0.140 29.241 29.700 -0.531 0.000 0.742 384 E HN 0.683 nan 8.360 nan 0.000 0.466 385 K N -0.049 120.177 120.400 -0.290 0.000 2.057 385 K HA -0.177 4.144 4.320 0.001 0.000 0.206 385 K C 2.097 178.642 176.600 -0.091 0.000 1.050 385 K CA 1.603 57.803 56.287 -0.144 0.000 0.935 385 K CB -0.042 32.384 32.500 -0.123 0.000 0.715 385 K HN 0.261 nan 8.250 nan 0.000 0.439 386 Q N -0.195 119.533 119.800 -0.120 0.000 2.230 386 Q HA -0.090 4.251 4.340 0.001 0.000 0.202 386 Q C 2.156 178.182 176.000 0.044 0.000 0.963 386 Q CA 0.757 56.527 55.803 -0.056 0.000 0.866 386 Q CB 0.022 28.691 28.738 -0.115 0.000 0.931 386 Q HN 0.252 nan 8.270 nan 0.000 0.452 387 R N 0.943 121.458 120.500 0.026 0.000 2.073 387 R HA -0.132 4.209 4.340 0.001 0.000 0.234 387 R C 2.101 178.496 176.300 0.158 0.000 1.134 387 R CA 1.037 57.225 56.100 0.148 0.000 0.952 387 R CB -0.201 30.174 30.300 0.125 0.000 0.850 387 R HN 0.233 nan 8.270 nan 0.000 0.433 388 L N 0.673 121.943 121.223 0.077 0.000 2.012 388 L HA -0.210 4.130 4.340 0.001 0.000 0.210 388 L C 2.375 179.312 176.870 0.113 0.000 1.073 388 L CA 1.827 56.712 54.840 0.075 0.000 0.748 388 L CB -0.428 41.652 42.059 0.035 0.000 0.891 388 L HN 0.344 nan 8.230 nan 0.000 0.431 389 E N -0.977 119.297 120.200 0.124 0.000 2.047 389 E HA -0.263 4.087 4.350 0.001 0.000 0.191 389 E C 1.962 178.716 176.600 0.256 0.000 0.987 389 E CA 1.385 57.877 56.400 0.152 0.000 0.799 389 E CB -0.318 29.454 29.700 0.121 0.000 0.752 389 E HN 0.569 nan 8.360 nan 0.000 0.449 390 W N 1.599 122.929 121.300 0.051 0.000 2.333 390 W HA -0.234 4.427 4.660 0.001 0.000 0.316 390 W C 1.998 178.592 176.519 0.125 0.000 1.215 390 W CA 1.006 58.400 57.345 0.080 0.000 1.278 390 W CB -0.047 29.457 29.460 0.073 0.000 1.154 390 W HN -0.106 nan 8.180 nan 0.000 0.486 391 V N 1.398 121.412 119.914 0.166 0.000 2.392 391 V HA -0.284 3.836 4.120 0.001 0.000 0.249 391 V C 2.552 178.735 176.094 0.148 0.000 1.059 391 V CA 2.106 64.490 62.300 0.139 0.000 1.051 391 V CB -1.593 30.309 31.823 0.132 0.000 0.658 391 V HN 0.449 nan 8.190 nan 0.000 0.455 392 G N -0.607 108.261 108.800 0.113 0.000 2.402 392 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 392 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 392 G C 1.637 176.554 174.900 0.028 0.000 1.162 392 G CA 1.006 46.161 45.100 0.092 0.000 0.777 392 G HN 0.485 nan 8.290 nan 0.000 0.539 393 L N 0.501 121.726 121.223 0.003 0.000 2.017 393 L HA -0.066 4.274 4.340 0.001 0.000 0.208 393 L C 2.897 179.639 176.870 -0.212 0.000 1.073 393 L CA 1.137 55.943 54.840 -0.056 0.000 0.745 393 L CB -0.226 41.855 42.059 0.037 0.000 0.894 393 L HN 0.105 nan 8.230 nan 0.000 0.432 394 V N 0.072 119.746 119.914 -0.400 0.000 2.343 394 V HA -0.307 3.814 4.120 0.001 0.000 0.247 394 V C 2.522 178.371 176.094 -0.407 0.000 1.051 394 V CA 2.165 64.161 62.300 -0.507 0.000 1.036 394 V CB -0.660 30.768 31.823 -0.658 0.000 0.654 394 V HN 0.570 nan 8.190 nan 0.000 0.451 395 E N 0.760 120.788 120.200 -0.286 0.000 2.118 395 E HA -0.237 4.113 4.350 0.001 0.000 0.195 395 E C 2.245 178.737 176.600 -0.180 0.000 0.992 395 E CA 1.668 57.914 56.400 -0.256 0.000 0.804 395 E CB -0.108 29.650 29.700 0.097 0.000 0.741 395 E HN 0.749 nan 8.360 nan 0.000 0.458 396 S N -0.246 115.385 115.700 -0.115 0.000 2.515 396 S HA -0.016 4.455 4.470 0.001 0.000 0.231 396 S C 1.456 176.002 174.600 -0.091 0.000 0.987 396 S CA 0.435 58.584 58.200 -0.085 0.000 0.936 396 S CB 0.113 63.284 63.200 -0.050 0.000 0.766 396 S HN 0.117 nan 8.310 nan 0.000 0.528 397 K N 0.796 121.132 120.400 -0.107 0.000 2.367 397 K HA 0.397 4.717 4.320 0.001 0.000 0.195 397 K C 1.667 178.292 176.600 0.043 0.000 1.060 397 K CA 0.045 56.321 56.287 -0.019 0.000 1.022 397 K CB -0.299 32.182 32.500 -0.031 0.000 0.894 397 K HN 0.412 nan 8.250 nan 0.000 0.540 398 I N 1.143 121.637 120.570 -0.127 0.000 2.315 398 I HA -0.278 3.892 4.170 0.001 0.000 0.251 398 I C 2.423 178.339 176.117 -0.335 0.000 1.125 398 I CA 1.273 62.388 61.300 -0.308 0.000 1.392 398 I CB -0.225 37.511 38.000 -0.441 0.000 1.065 398 I HN 0.143 nan 8.210 nan 0.000 0.424 399 R N 0.673 121.041 120.500 -0.220 0.000 2.237 399 R HA -0.075 4.265 4.340 0.001 0.000 0.219 399 R C 2.215 178.402 176.300 -0.188 0.000 1.080 399 R CA 0.844 56.819 56.100 -0.209 0.000 0.995 399 R CB -0.070 30.125 30.300 -0.175 0.000 0.875 399 R HN 0.398 nan 8.270 nan 0.000 0.462 400 I N 0.308 120.798 120.570 -0.133 0.000 2.226 400 I HA -0.301 3.870 4.170 0.001 0.000 0.245 400 I C 2.200 178.212 176.117 -0.175 0.000 1.100 400 I CA 0.810 62.074 61.300 -0.059 0.000 1.374 400 I CB -0.213 37.866 38.000 0.131 0.000 1.057 400 I HN 0.206 nan 8.210 nan 0.000 0.413 401 L N 0.573 121.476 121.223 -0.534 0.000 2.027 401 L HA -0.128 4.212 4.340 0.001 0.000 0.206 401 L C 2.391 179.031 176.870 -0.384 0.000 1.074 401 L CA 1.755 56.168 54.840 -0.711 0.000 0.745 401 L CB -0.503 40.672 42.059 -1.474 0.000 0.898 401 L HN -0.044 nan 8.230 nan 0.000 0.433 402 V N 0.444 120.148 119.914 -0.350 0.000 2.332 402 V HA -0.239 3.881 4.120 0.001 0.000 0.248 402 V C 2.663 178.652 176.094 -0.175 0.000 1.055 402 V CA 1.844 64.001 62.300 -0.238 0.000 1.038 402 V CB -1.809 29.879 31.823 -0.225 0.000 0.651 402 V HN 0.646 nan 8.190 nan 0.000 0.450 403 G N 0.285 108.990 108.800 -0.158 0.000 2.446 403 G HA2 -0.319 3.641 3.960 0.001 0.000 0.217 403 G HA3 -0.319 3.641 3.960 0.001 0.000 0.217 403 G C 1.897 176.750 174.900 -0.078 0.000 1.168 403 G CA 1.551 46.588 45.100 -0.106 0.000 0.771 403 G HN 0.655 nan 8.290 nan 0.000 0.551 404 S N 0.453 116.108 115.700 -0.075 0.000 2.402 404 S HA 0.046 4.516 4.470 0.001 0.000 0.229 404 S C 2.368 176.949 174.600 -0.032 0.000 1.021 404 S CA 1.028 59.208 58.200 -0.033 0.000 0.974 404 S CB -0.365 62.829 63.200 -0.009 0.000 0.800 404 S HN 0.284 nan 8.310 nan 0.000 0.484 405 L N 1.012 122.192 121.223 -0.071 0.000 2.141 405 L HA -0.025 4.315 4.340 0.001 0.000 0.209 405 L C 2.776 179.616 176.870 -0.050 0.000 1.094 405 L CA 1.482 56.286 54.840 -0.060 0.000 0.763 405 L CB -0.531 41.461 42.059 -0.113 0.000 0.908 405 L HN 0.415 nan 8.230 nan 0.000 0.437 406 E N -0.139 120.022 120.200 -0.065 0.000 2.274 406 E HA -0.141 4.209 4.350 0.001 0.000 0.194 406 E C 1.808 178.387 176.600 -0.035 0.000 0.996 406 E CA 0.527 56.894 56.400 -0.055 0.000 0.840 406 E CB 0.183 29.844 29.700 -0.065 0.000 0.772 406 E HN 0.372 nan 8.360 nan 0.000 0.491 407 K N 0.836 121.219 120.400 -0.027 0.000 2.418 407 K HA 0.013 4.333 4.320 0.001 0.000 0.195 407 K C 0.706 177.291 176.600 -0.025 0.000 1.035 407 K CA 0.008 56.282 56.287 -0.021 0.000 1.003 407 K CB -0.035 32.460 32.500 -0.008 0.000 0.793 407 K HN 0.018 nan 8.250 nan 0.000 0.494 408 N N 2.712 121.406 118.700 -0.009 0.000 2.452 408 N HA -0.065 4.675 4.740 0.001 0.000 0.266 408 N C 0.843 176.308 175.510 -0.075 0.000 1.175 408 N CA 0.264 53.313 53.050 -0.002 0.000 0.945 408 N CB 1.032 39.571 38.487 0.087 0.000 1.063 408 N HN 0.233 nan 8.380 nan 0.000 0.472 409 E N 3.056 123.109 120.200 -0.245 0.000 2.273 409 E HA -0.205 4.145 4.350 0.001 0.000 0.198 409 E C 0.395 176.755 176.600 -0.400 0.000 1.002 409 E CA 1.463 57.622 56.400 -0.401 0.000 0.828 409 E CB -0.328 28.988 29.700 -0.641 0.000 0.747 409 E HN 0.562 nan 8.360 nan 0.000 0.491 410 F N 0.944 120.932 119.950 0.063 0.000 2.776 410 F HA 0.257 4.785 4.527 0.001 0.000 0.300 410 F C 0.802 176.743 175.800 0.235 0.000 1.116 410 F CA -0.202 57.864 58.000 0.110 0.000 1.375 410 F CB 0.312 39.342 39.000 0.050 0.000 1.109 410 F HN -0.058 nan 8.300 nan 0.000 0.585 411 I N 0.198 120.918 120.570 0.251 0.000 2.353 411 I HA 0.145 4.316 4.170 0.001 0.000 0.293 411 I C 1.137 177.272 176.117 0.029 0.000 0.992 411 I CA 0.129 61.498 61.300 0.116 0.000 1.268 411 I CB 1.271 39.281 38.000 0.016 0.000 1.387 411 I HN -0.027 nan 8.210 nan 0.000 0.478 412 T N 6.273 120.817 114.554 -0.017 0.000 3.004 412 T HA 0.239 4.590 4.350 0.001 0.000 0.243 412 T C 0.212 174.877 174.700 -0.059 0.000 1.020 412 T CA 0.652 62.742 62.100 -0.016 0.000 1.145 412 T CB 0.247 69.118 68.868 0.005 0.000 0.876 412 T HN 0.558 nan 8.240 nan 0.000 0.449 413 L N -1.844 119.305 121.223 -0.123 0.000 2.710 413 L HA 0.890 5.230 4.340 0.001 0.000 0.260 413 L C -1.966 174.768 176.870 -0.226 0.000 0.993 413 L CA -1.691 53.064 54.840 -0.142 0.000 0.877 413 L CB 1.381 43.381 42.059 -0.098 0.000 1.461 413 L HN -0.100 nan 8.230 nan 0.000 0.413 414 A N 0.053 122.762 122.820 -0.185 0.000 2.335 414 A HA 0.661 4.982 4.320 0.001 0.000 0.304 414 A C -1.434 176.119 177.584 -0.052 0.000 1.118 414 A CA -0.297 51.627 52.037 -0.187 0.000 0.757 414 A CB 0.473 19.370 19.000 -0.171 0.000 1.188 414 A HN 1.033 nan 8.150 nan 0.000 0.460 415 H N 2.865 121.846 119.070 -0.149 0.000 2.673 415 H HA 0.499 5.056 4.556 0.001 0.000 0.293 415 H C -1.114 174.386 175.328 0.288 0.000 1.065 415 H CA -0.676 55.446 56.048 0.123 0.000 1.236 415 H CB 0.849 30.715 29.762 0.174 0.000 1.389 415 H HN 0.400 nan 8.280 nan 0.000 0.481 416 V N 5.463 125.675 119.914 0.496 0.000 2.470 416 V HA -0.073 4.048 4.120 0.001 0.000 0.276 416 V C 0.751 176.982 176.094 0.229 0.000 1.040 416 V CA -0.511 61.971 62.300 0.302 0.000 1.008 416 V CB 0.621 32.552 31.823 0.179 0.000 0.990 416 V HN 0.754 nan 8.190 nan 0.000 0.477 417 N N 7.416 126.041 118.700 -0.125 0.000 2.399 417 N HA 0.149 4.889 4.740 0.001 0.000 0.259 417 N C -1.593 173.882 175.510 -0.059 0.000 1.160 417 N CA -1.694 51.058 53.050 -0.497 0.000 0.946 417 N CB 1.632 39.499 38.487 -1.034 0.000 1.156 417 N HN 0.294 nan 8.380 nan 0.000 0.489 418 P HA -0.160 nan 4.420 nan 0.000 0.218 418 P C -0.179 177.197 177.300 0.128 0.000 1.146 418 P CA 1.146 64.326 63.100 0.133 0.000 0.820 418 P CB 0.244 32.000 31.700 0.095 0.000 0.778 419 Q N 0.553 120.363 119.800 0.017 0.000 2.349 419 Q HA 0.266 4.607 4.340 0.001 0.000 0.254 419 Q C -0.107 175.886 176.000 -0.013 0.000 0.980 419 Q CA -0.448 55.358 55.803 0.006 0.000 0.924 419 Q CB -0.014 28.713 28.738 -0.018 0.000 1.209 419 Q HN 0.092 nan 8.270 nan 0.000 0.445 420 S N 3.102 118.662 115.700 -0.233 0.000 2.681 420 S HA 0.860 5.330 4.470 0.001 0.000 0.270 420 S C -0.363 174.073 174.600 -0.273 0.000 1.209 420 S CA -0.568 57.239 58.200 -0.655 0.000 0.988 420 S CB 0.578 62.898 63.200 -1.467 0.000 1.006 420 S HN 0.591 nan 8.310 nan 0.000 0.558 421 F N -4.192 115.562 119.950 -0.326 0.000 2.713 421 F HA 0.714 5.241 4.527 0.001 0.000 0.311 421 F C -3.537 172.165 175.800 -0.162 0.000 1.141 421 F CA -2.757 55.130 58.000 -0.188 0.000 0.939 421 F CB -0.010 38.927 39.000 -0.105 0.000 1.325 421 F HN 0.297 nan 8.300 nan 0.000 0.453 422 P HA 0.254 nan 4.420 nan 0.000 0.261 422 P C -0.672 176.690 177.300 0.104 0.000 1.183 422 P CA 0.401 63.538 63.100 0.063 0.000 0.761 422 P CB 0.516 32.259 31.700 0.071 0.000 0.785 423 A N 6.033 128.855 122.820 0.004 0.000 2.302 423 A HA 0.574 4.895 4.320 0.001 0.000 0.285 423 A C -2.135 175.468 177.584 0.032 0.000 1.105 423 A CA -1.573 50.474 52.037 0.016 0.000 0.816 423 A CB -0.689 18.295 19.000 -0.026 0.000 1.067 423 A HN 0.379 nan 8.150 nan 0.000 0.489 424 P HA 0.084 nan 4.420 nan 0.000 0.270 424 P C -0.299 177.005 177.300 0.006 0.000 1.227 424 P CA 0.054 63.165 63.100 0.018 0.000 0.788 424 P CB 0.389 32.101 31.700 0.019 0.000 0.926 425 K N 0.974 121.371 120.400 -0.006 0.000 2.180 425 K HA 0.100 4.421 4.320 0.001 0.000 0.251 425 K C 0.918 177.516 176.600 -0.003 0.000 1.014 425 K CA 0.043 56.321 56.287 -0.016 0.000 0.913 425 K CB 0.530 33.013 32.500 -0.028 0.000 1.008 425 K HN 0.507 nan 8.250 nan 0.000 0.490 426 E N 0.122 120.319 120.200 -0.005 0.000 2.571 426 E HA -0.024 4.326 4.350 0.001 0.000 0.204 426 E C -0.413 176.187 176.600 -0.000 0.000 0.851 426 E CA -0.048 56.356 56.400 0.006 0.000 1.358 426 E CB 0.612 30.324 29.700 0.020 0.000 1.327 426 E HN 0.550 nan 8.360 nan 0.000 0.665 427 N N 1.744 120.437 118.700 -0.011 0.000 2.501 427 N HA 0.178 4.919 4.740 0.001 0.000 0.245 427 N C -2.013 173.481 175.510 -0.026 0.000 0.974 427 N CA -1.740 51.302 53.050 -0.015 0.000 0.941 427 N CB 1.484 39.962 38.487 -0.015 0.000 1.122 427 N HN -0.006 nan 8.380 nan 0.000 0.507 428 P HA -0.043 nan 4.420 nan 0.000 0.229 428 P C -0.012 177.272 177.300 -0.027 0.000 1.160 428 P CA 0.852 63.937 63.100 -0.025 0.000 0.777 428 P CB 0.516 32.205 31.700 -0.017 0.000 0.814 429 D N 0.083 120.469 120.400 -0.023 0.000 2.249 429 D HA 0.011 4.651 4.640 0.001 0.000 0.205 429 D C 1.232 177.515 176.300 -0.028 0.000 0.962 429 D CA 1.070 55.057 54.000 -0.022 0.000 0.860 429 D CB 0.272 41.064 40.800 -0.014 0.000 0.955 429 D HN 0.283 nan 8.370 nan 0.000 0.505 430 K N 1.447 121.824 120.400 -0.038 0.000 2.340 430 K HA 0.394 4.714 4.320 0.001 0.000 0.244 430 K C -0.241 176.302 176.600 -0.096 0.000 0.973 430 K CA -0.869 55.387 56.287 -0.051 0.000 0.828 430 K CB 0.885 33.364 32.500 -0.035 0.000 1.226 430 K HN 0.140 nan 8.250 nan 0.000 0.437 431 E N 0.819 120.937 120.200 -0.136 0.000 2.354 431 E HA 0.379 4.729 4.350 0.001 0.000 0.269 431 E C -0.718 175.625 176.600 -0.428 0.000 1.036 431 E CA -0.367 55.872 56.400 -0.268 0.000 0.876 431 E CB 0.855 30.384 29.700 -0.285 0.000 1.009 431 E HN 0.564 nan 8.360 nan 0.000 0.416 432 E N 1.561 121.455 120.200 -0.510 0.000 2.277 432 E HA 0.382 4.733 4.350 0.001 0.000 0.266 432 E C -1.339 174.854 176.600 -0.679 0.000 0.901 432 E CA -0.903 55.213 56.400 -0.474 0.000 0.782 432 E CB 1.349 30.940 29.700 -0.181 0.000 1.228 432 E HN 0.428 nan 8.360 nan 0.000 0.424 433 F N 2.248 122.212 119.950 0.023 0.000 2.453 433 F HA 0.318 4.846 4.527 0.001 0.000 0.358 433 F C -0.170 175.657 175.800 0.045 0.000 1.129 433 F CA -0.828 57.188 58.000 0.027 0.000 1.200 433 F CB 0.630 39.645 39.000 0.027 0.000 1.431 433 F HN 0.169 nan 8.300 nan 0.000 0.503 434 R N -0.041 120.535 120.500 0.127 0.000 2.561 434 R HA 0.830 5.171 4.340 0.001 0.000 0.297 434 R C -1.078 175.237 176.300 0.024 0.000 0.969 434 R CA -0.646 55.513 56.100 0.097 0.000 0.879 434 R CB 1.827 32.168 30.300 0.069 0.000 1.178 434 R HN 0.212 nan 8.270 nan 0.000 0.445 435 T N 3.888 118.430 114.554 -0.021 0.000 2.932 435 T HA 0.639 4.989 4.350 0.001 0.000 0.289 435 T C -0.107 174.420 174.700 -0.289 0.000 1.039 435 T CA -0.889 61.085 62.100 -0.210 0.000 1.024 435 T CB 1.495 70.169 68.868 -0.324 0.000 1.090 435 T HN 0.729 nan 8.240 nan 0.000 0.496 436 M N 0.364 119.626 119.600 -0.564 0.000 2.531 436 M HA 0.657 5.137 4.480 0.001 0.000 0.286 436 M C -2.171 173.678 176.300 -0.752 0.000 1.232 436 M CA -0.861 54.152 55.300 -0.479 0.000 0.877 436 M CB 2.536 34.925 32.600 -0.351 0.000 1.726 436 M HN 0.510 nan 8.290 nan 0.000 0.463 437 W N 1.591 122.703 121.300 -0.313 0.000 2.761 437 W HA 0.723 5.383 4.660 0.001 0.000 0.340 437 W C -1.549 174.943 176.519 -0.045 0.000 1.072 437 W CA -0.886 56.339 57.345 -0.200 0.000 1.215 437 W CB 2.321 31.725 29.460 -0.094 0.000 1.420 437 W HN 0.467 nan 8.180 nan 0.000 0.519 438 V N 4.356 124.474 119.914 0.341 0.000 2.487 438 V HA 0.431 4.552 4.120 0.001 0.000 0.298 438 V C -0.176 176.231 176.094 0.521 0.000 1.028 438 V CA -0.751 61.825 62.300 0.460 0.000 0.860 438 V CB 1.850 34.091 31.823 0.696 0.000 0.991 438 V HN 0.293 nan 8.190 nan 0.000 0.427 439 I N 3.908 124.764 120.570 0.477 0.000 2.362 439 I HA 0.551 4.721 4.170 0.001 0.000 0.289 439 I C 0.883 177.211 176.117 0.352 0.000 0.994 439 I CA -0.364 61.162 61.300 0.376 0.000 1.158 439 I CB 1.772 39.856 38.000 0.140 0.000 1.315 439 I HN 0.709 nan 8.210 nan 0.000 0.451 440 G N 6.957 115.895 108.800 0.231 0.000 2.415 440 G HA2 0.654 4.615 3.960 0.001 0.000 0.269 440 G HA3 0.654 4.615 3.960 0.001 0.000 0.269 440 G C -0.633 173.813 174.900 -0.756 0.000 1.209 440 G CA -0.376 44.423 45.100 -0.501 0.000 0.835 440 G HN 0.452 nan 8.290 nan 0.000 0.534 441 L N 0.806 121.528 121.223 -0.835 0.000 2.333 441 L HA 0.675 5.016 4.340 0.001 0.000 0.263 441 L C -0.684 175.786 176.870 -0.666 0.000 1.014 441 L CA -1.195 53.216 54.840 -0.715 0.000 0.820 441 L CB 2.559 44.197 42.059 -0.702 0.000 1.352 441 L HN 0.214 nan 8.230 nan 0.000 0.421 442 V N 1.353 120.912 119.914 -0.592 0.000 2.569 442 V HA 0.442 4.562 4.120 0.001 0.000 0.301 442 V C -0.904 174.974 176.094 -0.359 0.000 1.044 442 V CA -0.452 61.655 62.300 -0.321 0.000 0.874 442 V CB 1.833 33.588 31.823 -0.112 0.000 1.002 442 V HN 0.359 nan 8.190 nan 0.000 0.424 443 F N 2.568 122.523 119.950 0.010 0.000 2.425 443 F HA 0.568 5.095 4.527 0.000 0.000 0.331 443 F C 0.937 176.767 175.800 0.050 0.000 1.085 443 F CA -0.792 57.218 58.000 0.016 0.000 1.028 443 F CB 1.155 40.145 39.000 -0.017 0.000 1.177 443 F HN 0.344 nan 8.300 nan 0.000 0.487 456 L N 3.229 124.565 121.223 0.189 0.000 3.014 456 L HA 0.214 4.555 4.340 0.001 0.000 0.263 456 L C 2.029 179.006 176.870 0.179 0.000 1.207 456 L CA 0.288 55.233 54.840 0.175 0.000 1.017 456 L CB 0.264 42.392 42.059 0.115 0.000 1.360 456 L HN 0.619 nan 8.230 nan 0.000 0.560 457 T N -3.237 111.427 114.554 0.184 0.000 2.821 457 T HA -0.268 4.083 4.350 0.001 0.000 0.267 457 T C 1.760 176.560 174.700 0.166 0.000 1.046 457 T CA 1.209 63.408 62.100 0.165 0.000 1.139 457 T CB -0.404 68.553 68.868 0.148 0.000 0.871 457 T HN 0.345 nan 8.240 nan 0.000 0.454 458 Y N 2.368 122.719 120.300 0.084 0.000 2.200 458 Y HA -0.055 4.495 4.550 0.001 0.000 0.290 458 Y C 2.096 178.044 175.900 0.081 0.000 1.137 458 Y CA 1.661 59.806 58.100 0.076 0.000 1.163 458 Y CB -0.363 38.137 38.460 0.067 0.000 0.988 458 Y HN 0.158 nan 8.280 nan 0.000 0.518 459 D N 0.077 120.576 120.400 0.166 0.000 2.117 459 D HA -0.168 4.473 4.640 0.001 0.000 0.198 459 D C 2.288 178.619 176.300 0.052 0.000 0.982 459 D CA 1.650 55.702 54.000 0.087 0.000 0.828 459 D CB -0.174 40.693 40.800 0.112 0.000 0.967 459 D HN 0.433 nan 8.370 nan 0.000 0.464 460 I N 0.604 121.222 120.570 0.079 0.000 2.252 460 I HA -0.266 3.905 4.170 0.001 0.000 0.245 460 I C 2.485 178.665 176.117 0.104 0.000 1.102 460 I CA 0.843 62.215 61.300 0.119 0.000 1.385 460 I CB -0.053 38.022 38.000 0.125 0.000 1.064 460 I HN -0.077 nan 8.210 nan 0.000 0.414 461 Q N 0.564 120.378 119.800 0.023 0.000 2.119 461 Q HA -0.182 4.159 4.340 0.001 0.000 0.201 461 Q C 2.307 178.257 176.000 -0.084 0.000 0.972 461 Q CA 2.093 57.882 55.803 -0.022 0.000 0.847 461 Q CB -0.323 28.385 28.738 -0.049 0.000 0.903 461 Q HN 0.327 nan 8.270 nan 0.000 0.433 462 S N -0.946 114.650 115.700 -0.173 0.000 2.382 462 S HA -0.132 4.339 4.470 0.001 0.000 0.228 462 S C 1.644 176.224 174.600 -0.033 0.000 1.027 462 S CA 1.160 59.254 58.200 -0.178 0.000 0.991 462 S CB -0.537 62.504 63.200 -0.266 0.000 0.823 462 S HN 0.564 nan 8.310 nan 0.000 0.469 463 F N 2.263 122.148 119.950 -0.109 0.000 2.146 463 F HA 0.016 4.543 4.527 0.001 0.000 0.298 463 F C 2.290 178.032 175.800 -0.096 0.000 1.096 463 F CA 1.988 59.929 58.000 -0.097 0.000 1.275 463 F CB -1.150 37.792 39.000 -0.098 0.000 1.008 463 F HN 0.161 nan 8.300 nan 0.000 0.480 464 T N 0.531 114.937 114.554 -0.247 0.000 2.652 464 T HA -0.203 4.147 4.350 0.001 0.000 0.267 464 T C 1.450 176.018 174.700 -0.221 0.000 1.039 464 T CA 1.813 63.722 62.100 -0.318 0.000 1.153 464 T CB -0.495 68.341 68.868 -0.052 0.000 0.863 464 T HN 0.247 nan 8.240 nan 0.000 0.428 465 D N 0.862 121.217 120.400 -0.076 0.000 2.123 465 D HA -0.078 4.563 4.640 0.001 0.000 0.196 465 D C 2.337 178.599 176.300 -0.064 0.000 0.992 465 D CA 1.249 55.247 54.000 -0.004 0.000 0.833 465 D CB -0.763 40.019 40.800 -0.030 0.000 0.954 465 D HN 0.320 nan 8.370 nan 0.000 0.455 466 T N 0.520 114.988 114.554 -0.144 0.000 2.746 466 T HA -0.096 4.255 4.350 0.001 0.000 0.267 466 T C 2.241 176.823 174.700 -0.197 0.000 1.039 466 T CA 0.763 62.779 62.100 -0.140 0.000 1.142 466 T CB -0.308 68.496 68.868 -0.106 0.000 0.866 466 T HN -0.024 nan 8.240 nan 0.000 0.444 467 V N 0.253 119.932 119.914 -0.392 0.000 2.295 467 V HA -0.179 3.941 4.120 0.001 0.000 0.246 467 V C 2.152 178.139 176.094 -0.180 0.000 1.049 467 V CA 1.597 63.659 62.300 -0.397 0.000 1.024 467 V CB -0.743 30.657 31.823 -0.705 0.000 0.648 467 V HN 0.448 nan 8.190 nan 0.000 0.447 468 Y N 0.363 120.570 120.300 -0.155 0.000 2.145 468 Y HA -0.211 4.339 4.550 0.001 0.000 0.286 468 Y C 2.731 178.478 175.900 -0.254 0.000 1.145 468 Y CA 1.996 59.964 58.100 -0.220 0.000 1.148 468 Y CB -0.562 37.742 38.460 -0.259 0.000 0.981 468 Y HN 0.105 nan 8.280 nan 0.000 0.507 469 R N 0.242 120.738 120.500 -0.007 0.000 2.073 469 R HA -0.203 4.138 4.340 0.001 0.000 0.234 469 R C 2.124 178.407 176.300 -0.029 0.000 1.134 469 R CA 1.932 58.007 56.100 -0.042 0.000 0.952 469 R CB -0.194 30.084 30.300 -0.036 0.000 0.850 469 R HN 0.442 nan 8.270 nan 0.000 0.433 470 Q N -0.415 119.370 119.800 -0.024 0.000 2.079 470 Q HA -0.108 4.232 4.340 0.001 0.000 0.200 470 Q C 2.175 178.198 176.000 0.038 0.000 0.974 470 Q CA 1.448 57.249 55.803 -0.003 0.000 0.840 470 Q CB -0.115 28.612 28.738 -0.018 0.000 0.898 470 Q HN 0.424 nan 8.270 nan 0.000 0.430 471 A N 1.136 124.000 122.820 0.073 0.000 1.908 471 A HA -0.187 4.133 4.320 0.001 0.000 0.218 471 A C 2.056 179.744 177.584 0.174 0.000 1.181 471 A CA 1.243 53.395 52.037 0.192 0.000 0.627 471 A CB -0.642 18.602 19.000 0.407 0.000 0.818 471 A HN 0.295 nan 8.150 nan 0.000 0.445 472 I N -0.057 120.548 120.570 0.059 0.000 2.252 472 I HA -0.225 3.946 4.170 0.001 0.000 0.245 472 I C 1.866 178.018 176.117 0.059 0.000 1.102 472 I CA 1.087 62.419 61.300 0.053 0.000 1.385 472 I CB -0.413 37.532 38.000 -0.091 0.000 1.064 472 I HN 0.285 nan 8.210 nan 0.000 0.414 473 N N 0.354 119.074 118.700 0.032 0.000 2.381 473 N HA -0.090 4.651 4.740 0.001 0.000 0.182 473 N C 1.642 177.179 175.510 0.044 0.000 1.025 473 N CA 0.969 54.037 53.050 0.030 0.000 0.888 473 N CB -0.116 38.380 38.487 0.015 0.000 0.965 473 N HN 0.182 nan 8.380 nan 0.000 0.438 474 S N 0.521 116.259 115.700 0.063 0.000 2.593 474 S HA 0.107 4.578 4.470 0.001 0.000 0.217 474 S C 0.350 174.998 174.600 0.079 0.000 0.966 474 S CA -0.147 58.093 58.200 0.068 0.000 0.914 474 S CB 0.239 63.484 63.200 0.075 0.000 0.776 474 S HN 0.190 nan 8.310 nan 0.000 0.523 475 K N 0.099 120.553 120.400 0.090 0.000 3.160 475 K HA -0.175 4.145 4.320 0.001 0.000 0.280 475 K C -0.150 176.513 176.600 0.106 0.000 1.154 475 K CA 0.894 57.234 56.287 0.089 0.000 0.822 475 K CB -2.156 30.378 32.500 0.058 0.000 1.239 475 K HN 0.446 nan 8.250 nan 0.000 0.489 476 M N -0.072 119.621 119.600 0.155 0.000 2.778 476 M HA 0.251 4.732 4.480 0.001 0.000 0.359 476 M C -0.532 175.924 176.300 0.259 0.000 1.216 476 M CA -0.302 55.102 55.300 0.174 0.000 0.935 476 M CB 0.412 33.117 32.600 0.175 0.000 1.330 476 M HN 0.144 nan 8.290 nan 0.000 0.516 477 F N 0.569 120.545 119.950 0.044 0.000 2.518 477 F HA 0.601 5.128 4.527 0.001 0.000 0.323 477 F C -0.592 175.158 175.800 -0.083 0.000 1.129 477 F CA -0.631 57.355 58.000 -0.025 0.000 0.920 477 F CB 1.280 40.286 39.000 0.010 0.000 1.160 477 F HN -0.087 nan 8.300 nan 0.000 0.440 478 E N 3.293 122.908 120.200 -0.973 0.000 2.195 478 E HA 0.516 4.866 4.350 0.001 0.000 0.271 478 E C -1.043 174.936 176.600 -1.035 0.000 0.923 478 E CA -0.678 55.281 56.400 -0.734 0.000 0.790 478 E CB 2.012 31.444 29.700 -0.447 0.000 1.155 478 E HN 0.458 nan 8.360 nan 0.000 0.402 479 V N 4.342 123.925 119.914 -0.552 0.000 2.720 479 V HA -0.054 4.066 4.120 0.001 0.000 0.307 479 V C 0.214 176.097 176.094 -0.351 0.000 1.071 479 V CA 1.044 63.123 62.300 -0.369 0.000 1.199 479 V CB 0.153 31.878 31.823 -0.164 0.000 0.900 479 V HN 0.894 nan 8.190 nan 0.000 0.494 480 D N 0.824 121.084 120.400 -0.235 0.000 2.911 480 D HA -0.183 4.457 4.640 0.001 0.000 0.199 480 D C 0.165 176.343 176.300 -0.203 0.000 1.041 480 D CA 1.050 54.962 54.000 -0.148 0.000 1.013 480 D CB -1.050 39.685 40.800 -0.108 0.000 1.093 480 D HN 0.610 nan 8.370 nan 0.000 0.431 481 M N 0.706 120.026 119.600 -0.466 0.000 2.184 481 M HA 0.155 4.635 4.480 0.001 0.000 0.351 481 M C 0.500 176.699 176.300 -0.168 0.000 1.395 481 M CA 0.728 55.609 55.300 -0.697 0.000 1.117 481 M CB 0.840 32.508 32.600 -1.552 0.000 1.708 481 M HN -0.175 nan 8.290 nan 0.000 0.468 482 K N 3.596 124.068 120.400 0.120 0.000 2.295 482 K HA 0.787 5.107 4.320 0.001 0.000 0.239 482 K C -1.034 175.948 176.600 0.636 0.000 0.991 482 K CA -0.869 55.692 56.287 0.457 0.000 0.845 482 K CB 2.769 35.456 32.500 0.312 0.000 1.197 482 K HN 0.617 nan 8.250 nan 0.000 0.441 483 I N 0.747 121.564 120.570 0.412 0.000 2.649 483 I HA 0.494 4.664 4.170 0.001 0.000 0.289 483 I C -1.974 174.217 176.117 0.124 0.000 1.222 483 I CA -0.291 61.127 61.300 0.197 0.000 1.046 483 I CB 1.700 39.661 38.000 -0.065 0.000 1.272 483 I HN 0.832 nan 8.210 nan 0.000 0.425 484 A N 5.570 128.474 122.820 0.140 0.000 2.515 484 A HA 0.989 5.309 4.320 0.001 0.000 0.298 484 A C -1.558 176.108 177.584 0.137 0.000 1.059 484 A CA -0.275 51.844 52.037 0.137 0.000 0.698 484 A CB 1.974 21.064 19.000 0.150 0.000 1.289 484 A HN 1.036 nan 8.150 nan 0.000 0.404 485 A N 1.467 124.371 122.820 0.141 0.000 2.475 485 A HA 0.878 5.198 4.320 0.001 0.000 0.301 485 A C -0.778 176.897 177.584 0.152 0.000 1.059 485 A CA -0.421 51.708 52.037 0.153 0.000 0.710 485 A CB 1.210 20.314 19.000 0.173 0.000 1.288 485 A HN 0.856 nan 8.150 nan 0.000 0.408 486 M N 1.565 121.264 119.600 0.165 0.000 2.501 486 M HA 0.344 4.824 4.480 0.001 0.000 0.293 486 M C -0.680 175.771 176.300 0.252 0.000 1.192 486 M CA -0.380 55.030 55.300 0.183 0.000 0.886 486 M CB 2.517 35.209 32.600 0.153 0.000 1.710 486 M HN 0.964 nan 8.290 nan 0.000 0.457 487 H N 1.014 120.172 119.070 0.146 0.000 2.473 487 H HA 0.759 5.315 4.556 0.001 0.000 0.327 487 H C -1.849 173.596 175.328 0.195 0.000 1.105 487 H CA -0.835 55.322 56.048 0.183 0.000 1.280 487 H CB 1.603 31.472 29.762 0.178 0.000 1.450 487 H HN 0.507 nan 8.280 nan 0.000 0.492 488 V N 5.204 125.415 119.914 0.496 0.000 2.924 488 V HA 0.232 4.352 4.120 0.001 0.000 0.300 488 V C -1.187 175.095 176.094 0.313 0.000 1.227 488 V CA -0.900 61.542 62.300 0.236 0.000 0.954 488 V CB 2.061 34.001 31.823 0.196 0.000 1.055 488 V HN 0.879 nan 8.190 nan 0.000 0.429 489 K N 3.803 124.283 120.400 0.134 0.000 2.276 489 K HA 0.276 4.597 4.320 0.001 0.000 0.259 489 K C 1.182 177.863 176.600 0.134 0.000 1.001 489 K CA 0.017 56.320 56.287 0.027 0.000 0.927 489 K CB 0.684 33.145 32.500 -0.065 0.000 0.969 489 K HN 0.718 nan 8.250 nan 0.000 0.490 490 R N 1.845 122.431 120.500 0.144 0.000 2.096 490 R HA -0.206 4.135 4.340 0.001 0.000 0.240 490 R C 1.561 177.940 176.300 0.131 0.000 1.139 490 R CA 1.838 58.093 56.100 0.258 0.000 0.952 490 R CB 0.052 30.507 30.300 0.258 0.000 0.854 490 R HN 0.476 nan 8.270 nan 0.000 0.436 491 K N 0.821 121.269 120.400 0.080 0.000 2.103 491 K HA -0.215 4.106 4.320 0.001 0.000 0.207 491 K C 1.772 178.413 176.600 0.069 0.000 1.048 491 K CA 1.873 58.199 56.287 0.065 0.000 0.930 491 K CB -0.419 32.100 32.500 0.032 0.000 0.716 491 K HN 0.626 nan 8.250 nan 0.000 0.444 492 Q N 0.501 120.338 119.800 0.062 0.000 2.425 492 Q HA 0.127 4.467 4.340 0.001 0.000 0.204 492 Q C 1.874 177.917 176.000 0.073 0.000 0.933 492 Q CA -0.014 55.823 55.803 0.057 0.000 0.939 492 Q CB -0.201 28.561 28.738 0.041 0.000 1.044 492 Q HN 0.075 nan 8.270 nan 0.000 0.513 493 L N 1.167 122.431 121.223 0.068 0.000 2.191 493 L HA -0.190 4.150 4.340 0.001 0.000 0.212 493 L C 2.327 179.187 176.870 -0.017 0.000 1.103 493 L CA 1.790 56.630 54.840 -0.000 0.000 0.769 493 L CB -0.720 41.267 42.059 -0.121 0.000 0.908 493 L HN 0.350 nan 8.230 nan 0.000 0.438 494 H N 1.192 120.219 119.070 -0.072 0.000 2.265 494 H HA -0.221 4.335 4.556 0.000 0.000 0.293 494 H C 1.027 176.312 175.328 -0.071 0.000 1.089 494 H CA 2.114 58.115 56.048 -0.077 0.000 1.244 494 H CB -0.281 29.455 29.762 -0.043 0.000 1.355 494 H HN 0.661 nan 8.280 nan 0.000 0.485 495 Q N 0.200 120.124 119.800 0.207 0.000 2.600 495 Q HA 0.240 4.581 4.340 0.001 0.000 0.276 495 Q C 0.547 176.580 176.000 0.055 0.000 1.006 495 Q CA 0.221 56.095 55.803 0.119 0.000 0.942 495 Q CB -0.054 28.714 28.738 0.049 0.000 1.383 495 Q HN 0.385 nan 8.270 nan 0.000 0.414 496 L N 0.864 122.100 121.223 0.023 0.000 3.794 496 L HA 0.243 4.583 4.340 0.001 0.000 0.364 496 L C -1.426 175.434 176.870 -0.017 0.000 1.297 496 L CA -0.314 54.532 54.840 0.009 0.000 1.130 496 L CB 1.040 43.114 42.059 0.024 0.000 1.442 496 L HN 0.385 nan 8.230 nan 0.000 0.616 497 L N -2.040 119.147 121.223 -0.061 0.000 2.612 497 L HA 0.678 5.019 4.340 0.001 0.000 0.256 497 L C -2.802 173.991 176.870 -0.129 0.000 0.949 497 L CA -1.019 53.770 54.840 -0.085 0.000 0.867 497 L CB -0.150 41.794 42.059 -0.193 0.000 1.417 497 L HN -0.150 nan 8.230 nan 0.000 0.414 498 P HA 0.000 nan 4.420 nan 0.000 0.216 498 P CA 0.000 63.034 63.100 -0.110 0.000 0.800 498 P CB 0.000 31.654 31.700 -0.077 0.000 0.726