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 2bii_1_B DATA FIRST_RESID 64 DATA SEQUENCE PFNSEPPLTK LYDSGFLTPV SLHFVRNHGP VPYVPDENIL DWEVSIEGMV DATA SEQUENCE ETPYKIKLSD IMEQFDIYST PVTMVCAGNR RKEQNMVKKG AGFNWGAAGT DATA SEQUENCE STSLWTGCML GDVIGKARPS KRARFVWMEG ADNPANGAYG TCIRLSWCMD DATA SEQUENCE PERCIMIAYQ QNGEWLHPDH GKPLRVVIPG VIGGRSVKWL KKLVVSDRPS DATA SEQUENCE ENWYHYFDNR VLPTMVTPEM AKSDDRWWKD ERYAIYDLNL QTIICKPENQ DATA SEQUENCE QVIKISEDEY EIAGFGYNGG GVRIGRIEVS LDKGKSWKLA DIDYPEDRYR DATA SEQUENCE EAGYFRLFGG LVNVCDRMSC LCWCFWKLKV PLSELARSKD ILIRGMDERM DATA SEQUENCE MVQPRTMYWN VTSMLNNWWY RVAIIREGES LRFEHPVVAN KPGGWMDRVK DATA SEQUENCE AEGGDILDNN WGEVD 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 64 P HA 0.000 nan 4.420 nan 0.000 0.216 64 P C 0.000 177.374 177.300 0.123 0.000 1.155 64 P CA 0.000 63.152 63.100 0.086 0.000 0.800 64 P CB 0.000 31.721 31.700 0.034 0.000 0.726 65 F N 1.080 120.992 119.950 -0.065 0.000 2.547 65 F HA 0.587 5.114 4.527 0.000 0.000 0.316 65 F C -1.264 174.427 175.800 -0.182 0.000 1.121 65 F CA -0.320 57.620 58.000 -0.101 0.000 0.911 65 F CB 1.954 40.920 39.000 -0.057 0.000 1.179 65 F HN 0.200 nan 8.300 nan 0.000 0.443 66 N N 3.597 121.519 118.700 -1.298 0.000 2.225 66 N HA 0.407 5.147 4.740 0.001 0.000 0.298 66 N C -1.812 172.782 175.510 -1.526 0.000 1.076 66 N CA -0.676 51.574 53.050 -1.334 0.000 0.792 66 N CB 2.236 39.491 38.487 -2.054 0.000 1.498 66 N HN 0.491 nan 8.380 nan 0.000 0.474 67 S N 0.493 115.725 115.700 -0.781 0.000 2.571 67 S HA 0.279 4.749 4.470 0.001 0.000 0.284 67 S C -1.437 173.219 174.600 0.093 0.000 1.128 67 S CA -0.660 57.335 58.200 -0.343 0.000 0.970 67 S CB 1.433 64.589 63.200 -0.073 0.000 1.039 67 S HN 0.580 nan 8.310 nan 0.000 0.485 68 E N 4.353 124.654 120.200 0.168 0.000 2.199 68 E HA 0.546 4.897 4.350 0.001 0.000 0.265 68 E C -2.469 174.302 176.600 0.285 0.000 0.882 68 E CA -2.378 54.257 56.400 0.391 0.000 0.759 68 E CB 1.353 31.320 29.700 0.444 0.000 1.148 68 E HN 0.414 nan 8.360 nan 0.000 0.412 69 P HA 0.241 nan 4.420 nan 0.000 0.274 69 P C -2.656 174.771 177.300 0.211 0.000 1.237 69 P CA -1.439 61.793 63.100 0.220 0.000 0.793 69 P CB -0.093 31.729 31.700 0.203 0.000 0.977 70 P HA 0.037 nan 4.420 nan 0.000 0.268 70 P C 1.019 178.436 177.300 0.196 0.000 1.204 70 P CA -0.260 62.940 63.100 0.165 0.000 0.768 70 P CB 0.287 32.067 31.700 0.132 0.000 0.842 71 L N 3.861 125.204 121.223 0.201 0.000 2.012 71 L HA -0.184 4.156 4.340 0.001 0.000 0.210 71 L C 1.890 178.919 176.870 0.265 0.000 1.073 71 L CA 2.345 57.339 54.840 0.257 0.000 0.748 71 L CB -1.523 40.672 42.059 0.227 0.000 0.891 71 L HN 0.327 nan 8.230 nan 0.000 0.431 72 T N -0.774 113.889 114.554 0.181 0.000 2.746 72 T HA -0.225 4.125 4.350 0.001 0.000 0.267 72 T C 1.938 176.775 174.700 0.228 0.000 1.039 72 T CA 1.721 63.934 62.100 0.187 0.000 1.142 72 T CB -0.185 68.749 68.868 0.110 0.000 0.866 72 T HN 0.298 nan 8.240 nan 0.000 0.444 73 K N 0.338 120.850 120.400 0.187 0.000 2.057 73 K HA -0.046 4.275 4.320 0.001 0.000 0.207 73 K C 2.203 178.922 176.600 0.199 0.000 1.049 73 K CA 0.845 57.233 56.287 0.169 0.000 0.931 73 K CB -0.294 32.291 32.500 0.140 0.000 0.714 73 K HN 0.146 nan 8.250 nan 0.000 0.440 74 L N 0.356 121.727 121.223 0.247 0.000 2.012 74 L HA -0.211 4.129 4.340 0.001 0.000 0.210 74 L C 2.110 179.205 176.870 0.374 0.000 1.073 74 L CA 1.782 56.796 54.840 0.291 0.000 0.748 74 L CB -0.803 41.437 42.059 0.301 0.000 0.891 74 L HN 0.250 nan 8.230 nan 0.000 0.431 75 Y N 0.415 120.891 120.300 0.293 0.000 2.145 75 Y HA -0.259 4.292 4.550 0.001 0.000 0.286 75 Y C 2.246 178.225 175.900 0.133 0.000 1.145 75 Y CA 2.161 60.428 58.100 0.280 0.000 1.148 75 Y CB -0.382 38.233 38.460 0.258 0.000 0.981 75 Y HN 0.317 nan 8.280 nan 0.000 0.507 76 D N -0.746 119.761 120.400 0.177 0.000 2.218 76 D HA -0.137 4.504 4.640 0.001 0.000 0.204 76 D C 2.235 178.505 176.300 -0.050 0.000 0.976 76 D CA 1.401 55.422 54.000 0.035 0.000 0.853 76 D CB -0.199 40.672 40.800 0.119 0.000 0.939 76 D HN 0.309 nan 8.370 nan 0.000 0.481 77 S N -0.469 115.242 115.700 0.018 0.000 2.447 77 S HA 0.184 4.654 4.470 0.001 0.000 0.233 77 S C 1.324 175.908 174.600 -0.027 0.000 1.006 77 S CA 0.681 58.895 58.200 0.024 0.000 0.957 77 S CB -0.042 63.212 63.200 0.089 0.000 0.773 77 S HN 0.559 nan 8.310 nan 0.000 0.507 78 G N 0.927 109.645 108.800 -0.136 0.000 2.584 78 G HA2 -0.278 3.683 3.960 0.001 0.000 0.229 78 G HA3 -0.278 3.683 3.960 0.001 0.000 0.229 78 G C 0.260 175.182 174.900 0.037 0.000 1.320 78 G CA -0.057 44.863 45.100 -0.301 0.000 0.891 78 G HN 0.236 nan 8.290 nan 0.000 0.573 79 F N 0.607 120.489 119.950 -0.113 0.000 2.161 79 F HA 0.256 4.783 4.527 0.000 0.000 0.300 79 F C 1.411 177.524 175.800 0.522 0.000 1.089 79 F CA 1.768 59.950 58.000 0.304 0.000 1.282 79 F CB -0.079 39.049 39.000 0.213 0.000 1.010 79 F HN 0.314 nan 8.300 nan 0.000 0.485 80 L N 1.369 122.728 121.223 0.227 0.000 2.280 80 L HA 0.289 4.630 4.340 0.001 0.000 0.287 80 L C 0.020 176.919 176.870 0.048 0.000 1.023 80 L CA -0.645 54.215 54.840 0.032 0.000 0.819 80 L CB 1.340 43.435 42.059 0.060 0.000 1.212 80 L HN -0.206 nan 8.230 nan 0.000 0.420 81 T N 4.007 118.548 114.554 -0.022 0.000 2.851 81 T HA 0.202 4.552 4.350 0.001 0.000 0.298 81 T C -2.300 172.373 174.700 -0.044 0.000 0.977 81 T CA -1.069 61.023 62.100 -0.013 0.000 1.126 81 T CB 0.598 69.406 68.868 -0.099 0.000 0.916 81 T HN 0.282 nan 8.240 nan 0.000 0.529 82 P HA 0.030 nan 4.420 nan 0.000 0.264 82 P C 1.113 178.389 177.300 -0.040 0.000 1.183 82 P CA -0.113 62.976 63.100 -0.020 0.000 0.763 82 P CB 0.403 32.117 31.700 0.024 0.000 0.807 83 V N 2.696 122.544 119.914 -0.109 0.000 2.324 83 V HA -0.294 3.826 4.120 0.001 0.000 0.250 83 V C 2.290 178.396 176.094 0.020 0.000 1.060 83 V CA 2.773 64.972 62.300 -0.168 0.000 1.042 83 V CB -1.440 30.194 31.823 -0.316 0.000 0.650 83 V HN 0.732 nan 8.190 nan 0.000 0.450 84 S N -0.496 115.253 115.700 0.083 0.000 2.442 84 S HA -0.105 4.365 4.470 0.001 0.000 0.236 84 S C 1.721 176.415 174.600 0.157 0.000 1.007 84 S CA 1.332 59.622 58.200 0.150 0.000 0.965 84 S CB -0.302 62.972 63.200 0.123 0.000 0.773 84 S HN 0.424 nan 8.310 nan 0.000 0.504 85 L N 0.801 122.101 121.223 0.129 0.000 2.554 85 L HA 0.403 4.743 4.340 0.001 0.000 0.225 85 L C 0.687 177.659 176.870 0.170 0.000 1.104 85 L CA 0.084 55.009 54.840 0.142 0.000 0.866 85 L CB -0.639 41.485 42.059 0.110 0.000 1.047 85 L HN 0.436 nan 8.230 nan 0.000 0.468 86 H N -0.048 119.045 119.070 0.039 0.000 2.964 86 H HA 0.085 4.641 4.556 0.001 0.000 0.328 86 H C 0.177 175.575 175.328 0.118 0.000 1.030 86 H CA -0.183 55.854 56.048 -0.019 0.000 1.445 86 H CB 0.306 29.890 29.762 -0.297 0.000 1.449 86 H HN 0.171 nan 8.280 nan 0.000 0.581 87 F N 3.481 123.492 119.950 0.101 0.000 2.589 87 F HA 0.354 4.881 4.527 0.001 0.000 0.352 87 F C -1.022 175.029 175.800 0.418 0.000 1.168 87 F CA -0.751 57.398 58.000 0.248 0.000 1.353 87 F CB 0.134 39.221 39.000 0.145 0.000 1.116 87 F HN 0.174 nan 8.300 nan 0.000 0.608 88 V N 3.870 123.979 119.914 0.325 0.000 2.656 88 V HA 0.559 4.680 4.120 0.001 0.000 0.307 88 V C -0.492 175.749 176.094 0.245 0.000 1.051 88 V CA -0.927 61.456 62.300 0.138 0.000 0.893 88 V CB 1.689 33.608 31.823 0.161 0.000 0.999 88 V HN 0.858 nan 8.190 nan 0.000 0.426 89 R N 3.718 124.319 120.500 0.168 0.000 2.518 89 R HA 0.442 4.782 4.340 0.001 0.000 0.296 89 R C -1.682 174.663 176.300 0.075 0.000 1.080 89 R CA -0.349 55.854 56.100 0.171 0.000 0.922 89 R CB 1.560 32.050 30.300 0.317 0.000 1.184 89 R HN 0.794 nan 8.270 nan 0.000 0.445 90 N N 2.247 120.996 118.700 0.082 0.000 2.314 90 N HA 0.224 4.964 4.740 0.001 0.000 0.294 90 N C 0.221 175.747 175.510 0.027 0.000 1.029 90 N CA -0.536 52.602 53.050 0.147 0.000 0.845 90 N CB 1.580 40.224 38.487 0.261 0.000 1.321 90 N HN 0.523 nan 8.380 nan 0.000 0.481 91 H N 0.164 119.250 119.070 0.026 0.000 2.502 91 H HA 0.220 4.776 4.556 0.001 0.000 0.283 91 H C 1.337 176.703 175.328 0.063 0.000 1.015 91 H CA 1.226 57.296 56.048 0.036 0.000 1.298 91 H CB 0.555 30.262 29.762 -0.092 0.000 1.411 91 H HN 0.703 nan 8.280 nan 0.000 0.556 92 G N -1.128 107.753 108.800 0.135 0.000 2.772 92 G HA2 0.325 4.286 3.960 0.001 0.000 0.284 92 G HA3 0.325 4.286 3.960 0.001 0.000 0.284 92 G C -2.499 172.408 174.900 0.012 0.000 1.217 92 G CA -1.065 44.078 45.100 0.073 0.000 0.831 92 G HN -0.161 nan 8.290 nan 0.000 0.523 93 P HA 0.358 nan 4.420 nan 0.000 0.268 93 P C -0.356 176.794 177.300 -0.250 0.000 1.205 93 P CA -0.291 62.743 63.100 -0.110 0.000 0.771 93 P CB 1.181 32.821 31.700 -0.100 0.000 0.858 94 V N 5.870 125.623 119.914 -0.268 0.000 2.432 94 V HA 0.193 4.313 4.120 0.001 0.000 0.271 94 V C -1.739 174.056 176.094 -0.498 0.000 1.046 94 V CA -1.378 60.626 62.300 -0.494 0.000 0.945 94 V CB 0.522 32.255 31.823 -0.150 0.000 0.992 94 V HN 0.599 nan 8.190 nan 0.000 0.471 95 P HA 0.095 nan 4.420 nan 0.000 0.271 95 P C -1.048 176.107 177.300 -0.242 0.000 1.233 95 P CA -0.077 62.766 63.100 -0.429 0.000 0.764 95 P CB 0.226 31.674 31.700 -0.420 0.000 0.825 96 Y N 4.205 124.404 120.300 -0.168 0.000 2.327 96 Y HA 0.362 4.912 4.550 0.001 0.000 0.336 96 Y C -0.625 175.258 175.900 -0.028 0.000 1.035 96 Y CA -0.342 57.705 58.100 -0.088 0.000 1.165 96 Y CB 0.992 39.406 38.460 -0.078 0.000 1.181 96 Y HN 0.113 nan 8.280 nan 0.000 0.494 97 V N 9.296 128.838 119.914 -0.619 0.000 2.407 97 V HA 0.378 4.499 4.120 0.001 0.000 0.291 97 V C -2.180 173.581 176.094 -0.555 0.000 1.018 97 V CA -1.990 60.087 62.300 -0.372 0.000 0.842 97 V CB 1.393 33.096 31.823 -0.200 0.000 0.996 97 V HN 0.719 nan 8.190 nan 0.000 0.426 98 P HA 0.216 nan 4.420 nan 0.000 0.274 98 P C 0.105 177.302 177.300 -0.172 0.000 1.231 98 P CA -0.171 62.809 63.100 -0.199 0.000 0.790 98 P CB 1.180 32.873 31.700 -0.013 0.000 0.951 99 D N 1.234 121.543 120.400 -0.152 0.000 2.149 99 D HA -0.204 4.436 4.640 0.001 0.000 0.194 99 D C 1.514 177.714 176.300 -0.167 0.000 1.001 99 D CA 1.694 55.586 54.000 -0.179 0.000 0.849 99 D CB -0.302 40.406 40.800 -0.154 0.000 0.939 99 D HN 0.588 nan 8.370 nan 0.000 0.449 100 E N -0.216 119.921 120.200 -0.105 0.000 2.401 100 E HA -0.098 4.252 4.350 0.001 0.000 0.199 100 E C 1.042 177.603 176.600 -0.064 0.000 1.023 100 E CA 0.446 56.797 56.400 -0.082 0.000 0.859 100 E CB -0.019 29.654 29.700 -0.046 0.000 0.780 100 E HN 0.219 nan 8.360 nan 0.000 0.523 101 N N 0.114 118.780 118.700 -0.056 0.000 2.254 101 N HA 0.124 4.864 4.740 0.001 0.000 0.190 101 N C 1.443 176.965 175.510 0.021 0.000 1.107 101 N CA 0.032 53.081 53.050 -0.002 0.000 0.869 101 N CB 0.281 38.789 38.487 0.034 0.000 0.983 101 N HN 0.122 nan 8.380 nan 0.000 0.487 102 I N 0.712 121.242 120.570 -0.067 0.000 2.118 102 I HA -0.296 3.874 4.170 0.001 0.000 0.241 102 I C 1.683 177.800 176.117 0.000 0.000 1.070 102 I CA 1.279 62.529 61.300 -0.083 0.000 1.327 102 I CB -0.098 37.737 38.000 -0.274 0.000 1.034 102 I HN 0.123 nan 8.210 nan 0.000 0.405 103 L N -0.184 121.010 121.223 -0.048 0.000 2.376 103 L HA -0.156 4.185 4.340 0.001 0.000 0.219 103 L C 1.302 178.207 176.870 0.059 0.000 1.133 103 L CA 0.741 55.575 54.840 -0.010 0.000 0.816 103 L CB -0.513 41.518 42.059 -0.047 0.000 0.933 103 L HN 0.268 nan 8.230 nan 0.000 0.449 104 D N -1.295 119.152 120.400 0.079 0.000 2.339 104 D HA -0.073 4.567 4.640 0.001 0.000 0.217 104 D C 0.566 176.944 176.300 0.130 0.000 1.050 104 D CA -0.026 54.023 54.000 0.082 0.000 0.856 104 D CB 0.097 40.925 40.800 0.047 0.000 0.922 104 D HN 0.209 nan 8.370 nan 0.000 0.518 105 W N 2.687 123.986 121.300 -0.002 0.000 2.347 105 W HA 0.041 4.701 4.660 0.001 0.000 0.333 105 W C 0.064 176.599 176.519 0.027 0.000 1.383 105 W CA 0.443 57.798 57.345 0.017 0.000 1.283 105 W CB 0.263 29.742 29.460 0.031 0.000 1.253 105 W HN -0.111 nan 8.180 nan 0.000 0.563 106 E N 4.083 124.087 120.200 -0.326 0.000 2.183 106 E HA 0.400 4.750 4.350 0.001 0.000 0.271 106 E C -1.383 175.069 176.600 -0.247 0.000 0.919 106 E CA -0.601 55.686 56.400 -0.189 0.000 0.781 106 E CB 1.891 31.493 29.700 -0.164 0.000 1.140 106 E HN 0.188 nan 8.360 nan 0.000 0.402 107 V N 2.825 122.702 119.914 -0.063 0.000 2.459 107 V HA 0.302 4.422 4.120 0.001 0.000 0.295 107 V C -0.133 175.899 176.094 -0.102 0.000 1.029 107 V CA -0.670 61.602 62.300 -0.048 0.000 0.874 107 V CB 1.732 33.579 31.823 0.041 0.000 0.985 107 V HN 0.616 nan 8.190 nan 0.000 0.438 108 S N 4.336 119.970 115.700 -0.109 0.000 2.462 108 S HA 0.690 5.160 4.470 0.001 0.000 0.294 108 S C -0.677 173.818 174.600 -0.174 0.000 1.144 108 S CA -0.454 57.663 58.200 -0.138 0.000 1.088 108 S CB 0.401 63.547 63.200 -0.091 0.000 1.009 108 S HN 0.452 nan 8.310 nan 0.000 0.484 109 I N 4.997 125.392 120.570 -0.292 0.000 2.328 109 I HA 0.443 4.613 4.170 0.001 0.000 0.287 109 I C 0.267 176.286 176.117 -0.164 0.000 1.012 109 I CA 0.142 61.273 61.300 -0.281 0.000 1.195 109 I CB 1.284 38.968 38.000 -0.526 0.000 1.350 109 I HN 0.685 nan 8.210 nan 0.000 0.464 110 E N 3.036 123.168 120.200 -0.113 0.000 2.440 110 E HA 0.875 5.225 4.350 0.001 0.000 0.263 110 E C 0.164 176.695 176.600 -0.116 0.000 0.938 110 E CA -0.902 55.446 56.400 -0.088 0.000 0.831 110 E CB 1.732 31.388 29.700 -0.073 0.000 1.456 110 E HN 0.647 nan 8.360 nan 0.000 0.427 111 G N 0.582 109.311 108.800 -0.119 0.000 2.513 111 G HA2 -0.258 3.703 3.960 0.001 0.000 0.227 111 G HA3 -0.258 3.703 3.960 0.001 0.000 0.227 111 G C -0.249 174.576 174.900 -0.126 0.000 1.176 111 G CA -0.255 44.742 45.100 -0.172 0.000 0.967 111 G HN 0.393 nan 8.290 nan 0.000 0.587 112 M N 1.952 121.464 119.600 -0.147 0.000 3.596 112 M HA 0.431 4.911 4.480 0.001 0.000 0.219 112 M C 0.300 176.562 176.300 -0.063 0.000 1.471 112 M CA 0.091 55.332 55.300 -0.098 0.000 1.644 112 M CB -0.425 32.110 32.600 -0.108 0.000 1.083 112 M HN 0.914 nan 8.290 nan 0.000 0.579 113 V N -2.826 117.064 119.914 -0.040 0.000 2.925 113 V HA 0.407 4.527 4.120 0.001 0.000 0.311 113 V C 0.601 176.699 176.094 0.006 0.000 1.104 113 V CA -0.882 61.413 62.300 -0.008 0.000 0.954 113 V CB 2.074 33.905 31.823 0.013 0.000 1.022 113 V HN 0.552 nan 8.190 nan 0.000 0.427 114 E N 1.604 121.814 120.200 0.016 0.000 2.106 114 E HA -0.058 4.292 4.350 0.001 0.000 0.192 114 E C 0.228 176.846 176.600 0.030 0.000 0.984 114 E CA 1.645 58.055 56.400 0.017 0.000 0.806 114 E CB 0.235 29.944 29.700 0.014 0.000 0.750 114 E HN 0.898 nan 8.360 nan 0.000 0.458 115 T N 2.954 117.543 114.554 0.057 0.000 3.133 115 T HA 0.310 4.660 4.350 0.001 0.000 0.368 115 T C -2.652 172.145 174.700 0.162 0.000 1.190 115 T CA -1.278 60.871 62.100 0.081 0.000 1.282 115 T CB 1.597 70.497 68.868 0.054 0.000 1.042 115 T HN 0.014 nan 8.240 nan 0.000 0.536 116 P HA 0.321 nan 4.420 nan 0.000 0.269 116 P C -0.961 176.478 177.300 0.232 0.000 1.209 116 P CA -0.211 62.964 63.100 0.126 0.000 0.776 116 P CB 0.251 31.975 31.700 0.041 0.000 0.876 117 Y N -1.606 118.705 120.300 0.018 0.000 2.670 117 Y HA 0.670 5.220 4.550 0.001 0.000 0.334 117 Y C -1.221 174.696 175.900 0.029 0.000 1.185 117 Y CA -1.345 56.771 58.100 0.027 0.000 1.053 117 Y CB 1.469 39.956 38.460 0.044 0.000 1.298 117 Y HN 0.109 nan 8.280 nan 0.000 0.459 118 K N 2.247 122.695 120.400 0.081 0.000 2.318 118 K HA 0.743 5.063 4.320 0.001 0.000 0.249 118 K C -1.816 174.859 176.600 0.125 0.000 0.942 118 K CA -0.927 55.351 56.287 -0.015 0.000 0.808 118 K CB 3.105 35.603 32.500 -0.004 0.000 1.189 118 K HN 0.801 nan 8.250 nan 0.000 0.428 119 I N 1.427 122.044 120.570 0.078 0.000 2.656 119 I HA 0.256 4.426 4.170 0.001 0.000 0.292 119 I C -1.353 174.839 176.117 0.124 0.000 1.144 119 I CA -0.722 60.684 61.300 0.176 0.000 1.038 119 I CB 1.828 40.025 38.000 0.328 0.000 1.244 119 I HN 0.465 nan 8.210 nan 0.000 0.420 120 K N 5.352 125.828 120.400 0.127 0.000 2.118 120 K HA 0.215 4.535 4.320 0.001 0.000 0.264 120 K C 0.624 177.312 176.600 0.148 0.000 1.000 120 K CA -0.616 55.742 56.287 0.119 0.000 0.929 120 K CB 1.310 33.863 32.500 0.088 0.000 1.021 120 K HN 0.497 nan 8.250 nan 0.000 0.463 121 L N 2.640 123.964 121.223 0.167 0.000 2.021 121 L HA -0.301 4.040 4.340 0.001 0.000 0.215 121 L C 2.121 179.022 176.870 0.052 0.000 1.074 121 L CA 2.346 57.257 54.840 0.118 0.000 0.760 121 L CB -0.886 41.243 42.059 0.116 0.000 0.889 121 L HN 0.876 nan 8.230 nan 0.000 0.433 122 S N -1.777 113.955 115.700 0.054 0.000 2.382 122 S HA -0.200 4.270 4.470 0.001 0.000 0.228 122 S C 1.735 176.377 174.600 0.069 0.000 1.027 122 S CA 1.264 59.488 58.200 0.040 0.000 0.991 122 S CB -0.815 62.406 63.200 0.034 0.000 0.823 122 S HN 0.540 nan 8.310 nan 0.000 0.469 123 D N 1.641 122.101 120.400 0.101 0.000 2.144 123 D HA 0.116 4.756 4.640 0.001 0.000 0.200 123 D C 1.832 178.260 176.300 0.213 0.000 0.978 123 D CA 0.856 54.935 54.000 0.131 0.000 0.833 123 D CB -0.396 40.489 40.800 0.141 0.000 0.961 123 D HN 0.447 nan 8.370 nan 0.000 0.470 124 I N 0.296 121.023 120.570 0.262 0.000 2.151 124 I HA -0.312 3.858 4.170 0.001 0.000 0.243 124 I C 2.322 178.643 176.117 0.340 0.000 1.080 124 I CA 1.059 62.595 61.300 0.393 0.000 1.339 124 I CB -0.241 37.910 38.000 0.252 0.000 1.039 124 I HN 0.026 nan 8.210 nan 0.000 0.409 125 M N -0.330 119.369 119.600 0.165 0.000 2.213 125 M HA -0.215 4.265 4.480 0.001 0.000 0.263 125 M C 1.918 178.299 176.300 0.136 0.000 1.062 125 M CA 1.766 57.144 55.300 0.131 0.000 1.105 125 M CB -0.349 32.251 32.600 -0.001 0.000 1.385 125 M HN 0.241 nan 8.290 nan 0.000 0.417 126 E N -0.588 119.677 120.200 0.109 0.000 2.276 126 E HA -0.072 4.278 4.350 0.001 0.000 0.193 126 E C 1.757 178.374 176.600 0.027 0.000 0.983 126 E CA 0.543 56.980 56.400 0.062 0.000 0.861 126 E CB 0.204 29.930 29.700 0.042 0.000 0.817 126 E HN 0.600 nan 8.360 nan 0.000 0.485 127 Q N -0.635 119.181 119.800 0.026 0.000 2.378 127 Q HA 0.150 4.490 4.340 0.001 0.000 0.216 127 Q C -0.195 175.584 176.000 -0.367 0.000 0.892 127 Q CA 0.195 55.896 55.803 -0.170 0.000 0.931 127 Q CB 0.667 29.263 28.738 -0.237 0.000 1.086 127 Q HN 0.050 nan 8.270 nan 0.000 0.528 128 F N 0.979 120.972 119.950 0.073 0.000 2.507 128 F HA 0.244 4.771 4.527 0.001 0.000 0.327 128 F C 0.117 175.954 175.800 0.062 0.000 1.068 128 F CA -1.341 56.711 58.000 0.086 0.000 0.965 128 F CB 1.168 40.248 39.000 0.133 0.000 1.192 128 F HN -0.191 nan 8.300 nan 0.000 0.476 129 D N 2.719 123.263 120.400 0.240 0.000 2.458 129 D HA 0.130 4.771 4.640 0.001 0.000 0.243 129 D C -0.100 176.197 176.300 -0.006 0.000 1.146 129 D CA 0.417 54.437 54.000 0.033 0.000 0.877 129 D CB 0.771 41.559 40.800 -0.021 0.000 1.176 129 D HN 0.053 nan 8.370 nan 0.000 0.461 130 I N 2.767 123.241 120.570 -0.160 0.000 2.392 130 I HA 0.256 4.427 4.170 0.001 0.000 0.295 130 I C -0.105 175.813 176.117 -0.333 0.000 0.985 130 I CA -0.630 60.625 61.300 -0.075 0.000 1.221 130 I CB 0.254 38.282 38.000 0.046 0.000 1.366 130 I HN 0.230 nan 8.210 nan 0.000 0.467 131 Y N 2.701 123.000 120.300 -0.002 0.000 2.562 131 Y HA 0.516 5.066 4.550 0.000 0.000 0.343 131 Y C 0.299 176.173 175.900 -0.044 0.000 1.025 131 Y CA -0.761 57.324 58.100 -0.025 0.000 1.082 131 Y CB 2.045 40.497 38.460 -0.013 0.000 1.264 131 Y HN 0.386 nan 8.280 nan 0.000 0.478 132 S N 0.940 116.706 115.700 0.110 0.000 2.605 132 S HA 0.688 5.158 4.470 0.001 0.000 0.308 132 S C -1.026 173.604 174.600 0.050 0.000 1.113 132 S CA -0.708 57.530 58.200 0.063 0.000 1.049 132 S CB 1.298 64.512 63.200 0.022 0.000 1.001 132 S HN 0.578 nan 8.310 nan 0.000 0.480 133 T N 5.335 119.929 114.554 0.066 0.000 2.928 133 T HA 0.489 4.839 4.350 0.001 0.000 0.296 133 T C -2.964 171.758 174.700 0.038 0.000 1.000 133 T CA -1.344 60.782 62.100 0.042 0.000 0.989 133 T CB 1.949 70.847 68.868 0.051 0.000 1.005 133 T HN 0.269 nan 8.240 nan 0.000 0.442 134 P HA 0.470 nan 4.420 nan 0.000 0.281 134 P C -1.113 176.196 177.300 0.014 0.000 1.252 134 P CA -0.380 62.675 63.100 -0.074 0.000 0.778 134 P CB 0.919 32.515 31.700 -0.174 0.000 0.895 135 V N 2.966 122.911 119.914 0.052 0.000 2.777 135 V HA 0.275 4.395 4.120 0.001 0.000 0.306 135 V C 0.146 176.217 176.094 -0.039 0.000 1.112 135 V CA -0.500 61.829 62.300 0.048 0.000 0.917 135 V CB 2.235 34.110 31.823 0.087 0.000 1.018 135 V HN 0.427 nan 8.190 nan 0.000 0.426 136 T N 6.132 120.594 114.554 -0.154 0.000 2.780 136 T HA 0.527 4.878 4.350 0.001 0.000 0.294 136 T C -0.103 174.452 174.700 -0.243 0.000 0.949 136 T CA -0.058 61.836 62.100 -0.343 0.000 1.074 136 T CB 0.486 69.097 68.868 -0.429 0.000 0.910 136 T HN 0.457 nan 8.240 nan 0.000 0.501 137 M N 3.372 122.850 119.600 -0.203 0.000 2.363 137 M HA 0.556 5.037 4.480 0.001 0.000 0.343 137 M C -0.980 175.227 176.300 -0.155 0.000 1.165 137 M CA -0.841 54.419 55.300 -0.066 0.000 1.046 137 M CB 1.853 34.547 32.600 0.156 0.000 1.648 137 M HN 0.263 nan 8.290 nan 0.000 0.452 138 V N 1.925 121.712 119.914 -0.211 0.000 2.686 138 V HA 0.257 4.377 4.120 0.001 0.000 0.306 138 V C -0.745 175.111 176.094 -0.396 0.000 1.065 138 V CA -1.067 60.941 62.300 -0.487 0.000 0.894 138 V CB 2.070 33.502 31.823 -0.651 0.000 1.004 138 V HN 1.038 nan 8.190 nan 0.000 0.424 139 C N 4.136 122.970 119.300 -0.777 0.000 2.527 139 C HA 0.585 5.045 4.460 0.001 0.000 0.396 139 C C 2.036 176.782 174.990 -0.407 0.000 1.289 139 C CA 0.304 58.968 59.018 -0.590 0.000 2.047 139 C CB 0.465 27.568 27.740 -1.062 0.000 2.568 139 C HN 1.141 nan 8.230 nan 0.000 0.573 140 A N 4.138 126.847 122.820 -0.186 0.000 2.032 140 A HA -0.017 4.303 4.320 0.001 0.000 0.221 140 A C 2.073 179.597 177.584 -0.100 0.000 1.165 140 A CA 2.157 54.144 52.037 -0.084 0.000 0.645 140 A CB -0.916 18.085 19.000 0.002 0.000 0.807 140 A HN 1.367 nan 8.150 nan 0.000 0.453 141 G N -0.764 107.918 108.800 -0.196 0.000 2.848 141 G HA2 -0.010 3.950 3.960 0.001 0.000 0.208 141 G HA3 -0.010 3.950 3.960 0.001 0.000 0.208 141 G C 0.596 175.384 174.900 -0.186 0.000 1.152 141 G CA 0.169 45.214 45.100 -0.090 0.000 0.789 141 G HN 0.500 nan 8.290 nan 0.000 0.531 142 N N 0.895 119.370 118.700 -0.376 0.000 2.356 142 N HA -0.007 4.733 4.740 0.001 0.000 0.252 142 N C 1.055 176.634 175.510 0.115 0.000 1.241 142 N CA 0.277 53.237 53.050 -0.150 0.000 0.861 142 N CB 0.017 38.426 38.487 -0.130 0.000 1.075 142 N HN 0.319 nan 8.380 nan 0.000 0.461 143 R N -0.026 120.618 120.500 0.240 0.000 3.872 143 R HA -0.260 4.081 4.340 0.001 0.000 0.341 143 R C 1.186 177.616 176.300 0.216 0.000 1.172 143 R CA 1.041 57.303 56.100 0.270 0.000 0.901 143 R CB -1.401 29.079 30.300 0.300 0.000 1.422 143 R HN 0.684 nan 8.270 nan 0.000 0.523 144 R N 1.893 122.529 120.500 0.228 0.000 2.075 144 R HA -0.119 4.222 4.340 0.001 0.000 0.232 144 R C 1.981 178.345 176.300 0.106 0.000 1.126 144 R CA 1.912 58.105 56.100 0.156 0.000 0.963 144 R CB -0.072 30.366 30.300 0.229 0.000 0.858 144 R HN 0.278 nan 8.270 nan 0.000 0.435 145 K N 0.712 121.179 120.400 0.112 0.000 2.113 145 K HA -0.208 4.113 4.320 0.001 0.000 0.208 145 K C 1.707 178.335 176.600 0.047 0.000 1.047 145 K CA 2.035 58.348 56.287 0.042 0.000 0.928 145 K CB -0.006 32.499 32.500 0.008 0.000 0.716 145 K HN 0.332 nan 8.250 nan 0.000 0.446 146 E N 0.223 120.477 120.200 0.090 0.000 2.097 146 E HA -0.251 4.099 4.350 0.001 0.000 0.196 146 E C 2.226 178.860 176.600 0.057 0.000 1.000 146 E CA 1.543 57.999 56.400 0.094 0.000 0.804 146 E CB 0.006 29.852 29.700 0.243 0.000 0.740 146 E HN 0.444 nan 8.360 nan 0.000 0.454 147 Q N 0.119 119.943 119.800 0.039 0.000 2.119 147 Q HA -0.145 4.196 4.340 0.001 0.000 0.201 147 Q C 1.957 178.077 176.000 0.199 0.000 0.972 147 Q CA 1.049 56.889 55.803 0.062 0.000 0.847 147 Q CB -0.201 28.458 28.738 -0.132 0.000 0.903 147 Q HN 0.179 nan 8.270 nan 0.000 0.433 148 N N 0.180 118.953 118.700 0.121 0.000 2.289 148 N HA -0.124 4.616 4.740 0.001 0.000 0.184 148 N C 1.607 177.172 175.510 0.092 0.000 1.016 148 N CA 0.927 54.055 53.050 0.130 0.000 0.872 148 N CB 0.123 38.644 38.487 0.055 0.000 0.973 148 N HN 0.095 nan 8.380 nan 0.000 0.433 149 M N -0.462 119.169 119.600 0.052 0.000 2.296 149 M HA -0.049 4.431 4.480 0.001 0.000 0.265 149 M C 1.711 178.025 176.300 0.023 0.000 1.064 149 M CA 0.707 56.017 55.300 0.016 0.000 1.109 149 M CB -0.627 31.957 32.600 -0.026 0.000 1.396 149 M HN 0.072 nan 8.290 nan 0.000 0.430 150 V N -0.296 119.646 119.914 0.046 0.000 2.331 150 V HA -0.056 4.064 4.120 0.001 0.000 0.242 150 V C 1.068 177.110 176.094 -0.086 0.000 1.034 150 V CA 1.048 63.342 62.300 -0.010 0.000 1.027 150 V CB -0.101 31.715 31.823 -0.011 0.000 0.667 150 V HN 0.377 nan 8.190 nan 0.000 0.457 151 K N 0.616 121.010 120.400 -0.011 0.000 2.588 151 K HA 0.305 4.626 4.320 0.001 0.000 0.250 151 K C -0.937 175.779 176.600 0.194 0.000 0.972 151 K CA -0.601 55.624 56.287 -0.102 0.000 0.821 151 K CB 1.420 33.512 32.500 -0.679 0.000 1.249 151 K HN 0.094 nan 8.250 nan 0.000 0.442 152 K N 1.602 122.067 120.400 0.107 0.000 2.448 152 K HA 0.229 4.549 4.320 0.001 0.000 0.278 152 K C 0.279 177.015 176.600 0.227 0.000 1.009 152 K CA 0.203 56.575 56.287 0.141 0.000 0.995 152 K CB 0.957 33.498 32.500 0.068 0.000 0.917 152 K HN 0.740 nan 8.250 nan 0.000 0.481 153 G N 0.274 109.197 108.800 0.205 0.000 2.788 153 G HA2 0.614 4.574 3.960 0.001 0.000 0.293 153 G HA3 0.614 4.574 3.960 0.001 0.000 0.293 153 G C -1.518 173.456 174.900 0.122 0.000 1.392 153 G CA -0.836 44.384 45.100 0.201 0.000 0.810 153 G HN 0.662 nan 8.290 nan 0.000 0.508 154 A N -1.464 121.427 122.820 0.120 0.000 2.304 154 A HA 0.882 5.203 4.320 0.001 0.000 0.271 154 A C 0.824 178.475 177.584 0.113 0.000 1.091 154 A CA 0.735 52.840 52.037 0.112 0.000 0.812 154 A CB 0.314 19.391 19.000 0.129 0.000 1.056 154 A HN 2.686 nan 8.150 nan 0.000 0.489 155 G N -0.906 107.966 108.800 0.120 0.000 2.576 155 G HA2 0.290 4.250 3.960 0.001 0.000 0.686 155 G HA3 0.290 4.250 3.960 0.001 0.000 0.686 155 G C -0.539 174.439 174.900 0.131 0.000 1.242 155 G CA -0.404 44.792 45.100 0.161 0.000 0.819 155 G HN 1.665 nan 8.290 nan 0.000 0.655 156 F N 1.613 121.549 119.950 -0.022 0.000 2.578 156 F HA 0.343 4.870 4.527 0.001 0.000 0.376 156 F C 0.961 176.634 175.800 -0.212 0.000 1.085 156 F CA -0.322 57.553 58.000 -0.208 0.000 1.260 156 F CB 0.619 39.358 39.000 -0.434 0.000 1.095 156 F HN 0.362 nan 8.300 nan 0.000 0.573 157 N N 7.468 125.680 118.700 -0.814 0.000 3.050 157 N HA -0.024 4.717 4.740 0.001 0.000 0.289 157 N C -1.047 174.164 175.510 -0.498 0.000 1.209 157 N CA -0.051 52.707 53.050 -0.487 0.000 1.154 157 N CB -0.276 37.993 38.487 -0.362 0.000 1.444 157 N HN 0.539 nan 8.380 nan 0.000 0.529 158 W N 0.568 121.816 121.300 -0.086 0.000 2.257 158 W HA 0.113 4.774 4.660 0.001 0.000 0.337 158 W C 1.648 178.203 176.519 0.060 0.000 1.321 158 W CA -0.278 57.126 57.345 0.098 0.000 1.267 158 W CB 0.414 29.973 29.460 0.165 0.000 1.187 158 W HN 0.281 nan 8.180 nan 0.000 0.565 159 G N 1.095 110.102 108.800 0.346 0.000 2.935 159 G HA2 0.343 4.303 3.960 0.001 0.000 0.157 159 G HA3 0.343 4.303 3.960 0.001 0.000 0.157 159 G C 0.564 175.679 174.900 0.358 0.000 1.712 159 G CA 0.244 45.520 45.100 0.294 0.000 1.071 159 G HN 0.672 nan 8.290 nan 0.000 0.539 160 A N -1.267 121.767 122.820 0.355 0.000 2.390 160 A HA 0.647 4.967 4.320 0.001 0.000 0.232 160 A C 1.538 179.346 177.584 0.373 0.000 1.233 160 A CA 1.105 53.352 52.037 0.350 0.000 0.907 160 A CB 0.237 19.419 19.000 0.304 0.000 0.967 160 A HN 1.110 nan 8.150 nan 0.000 0.512 161 A N -0.097 122.929 122.820 0.343 0.000 2.507 161 A HA 0.489 4.809 4.320 0.001 0.000 0.270 161 A C 1.284 178.947 177.584 0.131 0.000 1.318 161 A CA 0.449 52.661 52.037 0.291 0.000 0.924 161 A CB -0.698 18.485 19.000 0.306 0.000 1.061 161 A HN 0.618 nan 8.150 nan 0.000 0.516 162 G N 0.076 108.853 108.800 -0.038 0.000 3.353 162 G HA2 0.386 4.347 3.960 0.001 0.000 0.247 162 G HA3 0.386 4.347 3.960 0.001 0.000 0.247 162 G C 0.146 174.365 174.900 -1.135 0.000 1.025 162 G CA 0.749 45.403 45.100 -0.743 0.000 1.863 162 G HN 0.399 nan 8.290 nan 0.000 0.635 163 T N -1.056 113.090 114.554 -0.680 0.000 2.932 163 T HA 0.662 5.013 4.350 0.001 0.000 0.318 163 T C -1.042 173.418 174.700 -0.401 0.000 1.265 163 T CA -0.371 61.364 62.100 -0.609 0.000 1.036 163 T CB 1.809 70.312 68.868 -0.608 0.000 1.209 163 T HN 0.080 nan 8.240 nan 0.000 0.484 164 S N 1.456 116.869 115.700 -0.478 0.000 2.547 164 S HA 0.698 5.168 4.470 0.001 0.000 0.270 164 S C -1.266 172.920 174.600 -0.690 0.000 1.150 164 S CA -0.743 57.046 58.200 -0.684 0.000 0.850 164 S CB 2.211 64.800 63.200 -1.017 0.000 1.118 164 S HN 0.840 nan 8.310 nan 0.000 0.461 165 T N 2.285 116.430 114.554 -0.682 0.000 2.841 165 T HA 0.796 5.146 4.350 0.001 0.000 0.283 165 T C -0.828 173.653 174.700 -0.365 0.000 1.000 165 T CA -0.541 61.205 62.100 -0.590 0.000 0.977 165 T CB 1.499 69.778 68.868 -0.981 0.000 0.979 165 T HN 0.501 nan 8.240 nan 0.000 0.446 166 S N 1.749 117.264 115.700 -0.308 0.000 2.588 166 S HA 0.558 5.028 4.470 0.001 0.000 0.275 166 S C -0.900 173.421 174.600 -0.466 0.000 1.130 166 S CA -0.892 57.012 58.200 -0.493 0.000 0.855 166 S CB 1.189 63.789 63.200 -1.001 0.000 1.116 166 S HN 0.545 nan 8.310 nan 0.000 0.472 167 L N 1.883 122.863 121.223 -0.404 0.000 2.313 167 L HA 0.340 4.681 4.340 0.001 0.000 0.282 167 L C -1.163 175.455 176.870 -0.420 0.000 1.092 167 L CA 0.015 54.717 54.840 -0.230 0.000 0.831 167 L CB 0.203 42.294 42.059 0.053 0.000 1.159 167 L HN 0.620 nan 8.230 nan 0.000 0.442 168 W N 2.610 123.836 121.300 -0.124 0.000 2.520 168 W HA 0.492 5.153 4.660 0.000 0.000 0.323 168 W C -0.055 176.364 176.519 -0.167 0.000 1.062 168 W CA -0.435 56.800 57.345 -0.182 0.000 1.215 168 W CB 1.885 31.232 29.460 -0.187 0.000 1.340 168 W HN 0.262 nan 8.180 nan 0.000 0.516 169 T N 2.049 116.571 114.554 -0.054 0.000 2.824 169 T HA 0.819 5.169 4.350 0.001 0.000 0.282 169 T C 0.082 174.483 174.700 -0.497 0.000 0.993 169 T CA -0.392 61.585 62.100 -0.205 0.000 0.967 169 T CB 1.535 70.257 68.868 -0.243 0.000 0.960 169 T HN 0.789 nan 8.240 nan 0.000 0.441 170 G N 0.534 109.129 108.800 -0.343 0.000 2.367 170 G HA2 0.411 4.371 3.960 0.001 0.000 0.272 170 G HA3 0.411 4.371 3.960 0.001 0.000 0.272 170 G C -0.672 174.266 174.900 0.065 0.000 1.271 170 G CA -0.139 44.775 45.100 -0.310 0.000 0.893 170 G HN 1.139 nan 8.290 nan 0.000 0.485 171 C N -0.516 118.861 119.300 0.128 0.000 2.345 171 C HA 0.892 5.352 4.460 0.001 0.000 0.370 171 C C 0.735 175.769 174.990 0.074 0.000 1.209 171 C CA -1.131 57.989 59.018 0.171 0.000 2.133 171 C CB 0.604 28.393 27.740 0.082 0.000 2.293 171 C HN 0.748 nan 8.230 nan 0.000 0.544 172 M N 2.364 122.008 119.600 0.073 0.000 2.185 172 M HA 0.175 4.656 4.480 0.001 0.000 0.357 172 M C 0.788 177.048 176.300 -0.067 0.000 1.260 172 M CA -0.562 54.713 55.300 -0.041 0.000 1.124 172 M CB 0.683 33.244 32.600 -0.066 0.000 1.600 172 M HN 0.962 nan 8.290 nan 0.000 0.467 173 L N 4.527 125.710 121.223 -0.066 0.000 2.083 173 L HA -0.011 4.330 4.340 0.001 0.000 0.209 173 L C 1.943 178.790 176.870 -0.038 0.000 1.083 173 L CA 2.241 57.043 54.840 -0.062 0.000 0.752 173 L CB -0.882 41.155 42.059 -0.037 0.000 0.899 173 L HN 0.887 nan 8.230 nan 0.000 0.433 174 G N -1.257 107.533 108.800 -0.016 0.000 2.432 174 G HA2 -0.254 3.706 3.960 0.001 0.000 0.219 174 G HA3 -0.254 3.706 3.960 0.001 0.000 0.219 174 G C 1.222 176.149 174.900 0.045 0.000 1.135 174 G CA 0.821 45.928 45.100 0.012 0.000 0.767 174 G HN 0.413 nan 8.290 nan 0.000 0.550 175 D N 0.086 120.519 120.400 0.055 0.000 2.117 175 D HA -0.057 4.583 4.640 0.001 0.000 0.198 175 D C 2.742 179.156 176.300 0.190 0.000 0.982 175 D CA 0.451 54.551 54.000 0.166 0.000 0.828 175 D CB -0.273 40.692 40.800 0.275 0.000 0.967 175 D HN 0.194 nan 8.370 nan 0.000 0.464 176 V N 1.234 121.113 119.914 -0.058 0.000 2.358 176 V HA -0.174 3.946 4.120 0.001 0.000 0.246 176 V C 2.343 178.536 176.094 0.164 0.000 1.047 176 V CA 0.905 63.169 62.300 -0.059 0.000 1.035 176 V CB -0.147 31.520 31.823 -0.259 0.000 0.658 176 V HN 0.186 nan 8.190 nan 0.000 0.452 177 I N 1.011 121.627 120.570 0.078 0.000 2.252 177 I HA -0.108 4.063 4.170 0.001 0.000 0.245 177 I C 2.680 178.872 176.117 0.125 0.000 1.102 177 I CA 1.866 63.215 61.300 0.083 0.000 1.385 177 I CB -1.917 36.099 38.000 0.027 0.000 1.064 177 I HN 0.380 nan 8.210 nan 0.000 0.414 178 G N 0.873 109.744 108.800 0.118 0.000 2.469 178 G HA2 -0.316 3.644 3.960 0.001 0.000 0.220 178 G HA3 -0.316 3.644 3.960 0.001 0.000 0.220 178 G C 1.809 176.785 174.900 0.127 0.000 1.136 178 G CA 0.902 46.066 45.100 0.107 0.000 0.759 178 G HN 0.352 nan 8.290 nan 0.000 0.562 179 K N 0.515 121.032 120.400 0.194 0.000 2.152 179 K HA 0.036 4.356 4.320 0.001 0.000 0.206 179 K C 2.572 179.236 176.600 0.105 0.000 1.048 179 K CA 1.144 57.509 56.287 0.131 0.000 0.933 179 K CB -0.218 32.375 32.500 0.155 0.000 0.721 179 K HN 0.262 nan 8.250 nan 0.000 0.447 180 A N 0.872 123.841 122.820 0.249 0.000 2.169 180 A HA 0.036 4.356 4.320 0.001 0.000 0.212 180 A C -0.145 177.503 177.584 0.106 0.000 1.153 180 A CA 0.289 52.464 52.037 0.231 0.000 0.756 180 A CB -0.146 19.020 19.000 0.278 0.000 0.813 180 A HN 0.425 nan 8.150 nan 0.000 0.471 181 R N -1.548 118.999 120.500 0.078 0.000 2.855 181 R HA -0.100 4.240 4.340 0.001 0.000 0.288 181 R C -2.799 173.516 176.300 0.025 0.000 0.942 181 R CA 0.305 56.430 56.100 0.041 0.000 0.705 181 R CB -1.999 28.317 30.300 0.027 0.000 1.791 181 R HN 0.323 nan 8.270 nan 0.000 0.478 182 P HA -0.009 nan 4.420 nan 0.000 0.269 182 P C 0.274 177.565 177.300 -0.014 0.000 1.209 182 P CA -0.100 62.996 63.100 -0.007 0.000 0.776 182 P CB 0.946 32.636 31.700 -0.017 0.000 0.876 183 S N 1.544 117.229 115.700 -0.024 0.000 2.563 183 S HA -0.034 4.436 4.470 0.001 0.000 0.284 183 S C 1.287 175.873 174.600 -0.024 0.000 1.331 183 S CA -0.038 58.148 58.200 -0.024 0.000 1.047 183 S CB -0.004 63.177 63.200 -0.032 0.000 0.859 183 S HN 0.282 nan 8.310 nan 0.000 0.514 184 K N 2.587 122.976 120.400 -0.019 0.000 2.211 184 K HA -0.080 4.240 4.320 0.001 0.000 0.204 184 K C 1.976 178.562 176.600 -0.023 0.000 1.047 184 K CA 1.344 57.620 56.287 -0.019 0.000 0.935 184 K CB -0.085 32.407 32.500 -0.013 0.000 0.728 184 K HN 0.546 nan 8.250 nan 0.000 0.452 185 R N 0.399 120.886 120.500 -0.022 0.000 2.297 185 R HA 0.149 4.490 4.340 0.001 0.000 0.197 185 R C 0.350 176.635 176.300 -0.024 0.000 0.943 185 R CA -0.089 55.999 56.100 -0.019 0.000 1.038 185 R CB 0.286 30.578 30.300 -0.013 0.000 0.957 185 R HN 0.050 nan 8.270 nan 0.000 0.484 186 A N 1.114 123.911 122.820 -0.038 0.000 2.462 186 A HA 0.141 4.462 4.320 0.001 0.000 0.243 186 A C 0.683 178.226 177.584 -0.068 0.000 1.076 186 A CA 0.033 52.040 52.037 -0.050 0.000 0.773 186 A CB 0.425 19.387 19.000 -0.065 0.000 1.010 186 A HN 0.158 nan 8.150 nan 0.000 0.493 187 R N 0.393 120.856 120.500 -0.061 0.000 2.576 187 R HA 0.257 4.598 4.340 0.001 0.000 0.237 187 R C -1.055 174.965 176.300 -0.467 0.000 0.917 187 R CA 0.506 56.469 56.100 -0.230 0.000 1.002 187 R CB 0.226 30.423 30.300 -0.172 0.000 1.428 187 R HN 0.667 nan 8.270 nan 0.000 0.603 188 F N -0.440 119.442 119.950 -0.113 0.000 2.603 188 F HA 0.495 5.023 4.527 0.000 0.000 0.317 188 F C -0.195 175.537 175.800 -0.113 0.000 1.066 188 F CA -1.167 56.774 58.000 -0.098 0.000 0.941 188 F CB 2.075 41.083 39.000 0.013 0.000 1.291 188 F HN -0.469 nan 8.300 nan 0.000 0.472 189 V N 1.836 121.847 119.914 0.162 0.000 2.378 189 V HA 0.274 4.394 4.120 0.001 0.000 0.288 189 V C -1.083 175.150 176.094 0.233 0.000 1.016 189 V CA -0.890 61.458 62.300 0.080 0.000 0.840 189 V CB 0.817 32.660 31.823 0.034 0.000 0.994 189 V HN 0.523 nan 8.190 nan 0.000 0.431 190 W N 5.113 126.403 121.300 -0.018 0.000 2.261 190 W HA 0.650 5.310 4.660 0.001 0.000 0.323 190 W C -0.025 176.475 176.519 -0.032 0.000 1.243 190 W CA -1.470 55.839 57.345 -0.060 0.000 1.210 190 W CB 0.270 29.674 29.460 -0.092 0.000 1.149 190 W HN 0.364 nan 8.180 nan 0.000 0.562 191 M N 1.977 121.694 119.600 0.194 0.000 2.321 191 M HA 0.304 4.785 4.480 0.001 0.000 0.315 191 M C -0.410 175.962 176.300 0.121 0.000 1.052 191 M CA -0.415 54.966 55.300 0.135 0.000 0.936 191 M CB 2.727 35.395 32.600 0.112 0.000 1.639 191 M HN 0.397 nan 8.290 nan 0.000 0.433 192 E N 1.223 121.505 120.200 0.136 0.000 2.248 192 E HA 0.664 5.014 4.350 0.001 0.000 0.267 192 E C -0.806 175.913 176.600 0.197 0.000 0.877 192 E CA -0.555 55.931 56.400 0.142 0.000 0.759 192 E CB 2.200 31.973 29.700 0.122 0.000 1.182 192 E HN 0.868 nan 8.360 nan 0.000 0.418 193 G N 1.181 110.134 108.800 0.255 0.000 2.502 193 G HA2 0.464 4.424 3.960 0.001 0.000 0.305 193 G HA3 0.464 4.424 3.960 0.001 0.000 0.305 193 G C 0.313 175.402 174.900 0.315 0.000 1.190 193 G CA 0.016 45.325 45.100 0.349 0.000 0.933 193 G HN 0.549 nan 8.290 nan 0.000 0.503 194 A N -0.180 122.881 122.820 0.403 0.000 2.251 194 A HA 0.206 4.527 4.320 0.001 0.000 0.209 194 A C 1.000 178.663 177.584 0.132 0.000 1.187 194 A CA 0.486 52.690 52.037 0.278 0.000 0.823 194 A CB -0.462 18.805 19.000 0.446 0.000 0.846 194 A HN 0.711 nan 8.150 nan 0.000 0.486 195 D N -0.660 119.813 120.400 0.122 0.000 2.377 195 D HA 0.145 4.785 4.640 0.001 0.000 0.245 195 D C -0.401 175.908 176.300 0.015 0.000 1.196 195 D CA -0.450 53.513 54.000 -0.062 0.000 0.962 195 D CB 0.418 41.132 40.800 -0.142 0.000 1.127 195 D HN 0.031 nan 8.370 nan 0.000 0.471 196 N N 0.172 118.858 118.700 -0.023 0.000 2.733 196 N HA 0.253 4.994 4.740 0.001 0.000 0.271 196 N C -2.735 172.789 175.510 0.023 0.000 1.720 196 N CA -1.349 51.712 53.050 0.017 0.000 0.803 196 N CB 0.672 39.159 38.487 0.001 0.000 1.208 196 N HN 0.149 nan 8.380 nan 0.000 0.498 197 P HA 0.161 nan 4.420 nan 0.000 0.293 197 P C 0.721 178.087 177.300 0.109 0.000 1.298 197 P CA -0.248 62.904 63.100 0.086 0.000 0.757 197 P CB 0.557 32.316 31.700 0.098 0.000 1.262 198 A N 0.230 123.115 122.820 0.109 0.000 1.986 198 A HA -0.189 4.131 4.320 0.001 0.000 0.220 198 A C 1.495 179.011 177.584 -0.115 0.000 1.171 198 A CA 1.678 53.709 52.037 -0.010 0.000 0.640 198 A CB -1.085 17.888 19.000 -0.045 0.000 0.811 198 A HN 0.579 nan 8.150 nan 0.000 0.451 199 N N -0.342 118.287 118.700 -0.119 0.000 2.321 199 N HA 0.356 5.096 4.740 0.001 0.000 0.242 199 N C 0.634 176.124 175.510 -0.034 0.000 1.141 199 N CA 0.868 53.688 53.050 -0.383 0.000 0.864 199 N CB 0.582 38.248 38.487 -1.367 0.000 1.100 199 N HN 0.659 nan 8.380 nan 0.000 0.510 200 G N 0.773 109.632 108.800 0.098 0.000 2.660 200 G HA2 -0.095 3.865 3.960 0.001 0.000 0.247 200 G HA3 -0.095 3.865 3.960 0.001 0.000 0.247 200 G C -0.442 174.584 174.900 0.209 0.000 1.328 200 G CA -0.538 44.634 45.100 0.120 0.000 0.884 200 G HN 0.381 nan 8.290 nan 0.000 0.531 201 A N -0.573 122.340 122.820 0.155 0.000 2.565 201 A HA 0.456 4.776 4.320 0.001 0.000 0.237 201 A C 0.130 177.829 177.584 0.192 0.000 1.053 201 A CA 0.856 52.986 52.037 0.154 0.000 0.755 201 A CB 0.046 19.120 19.000 0.125 0.000 0.980 201 A HN 1.936 nan 8.150 nan 0.000 0.506 202 Y N 1.741 122.043 120.300 0.004 0.000 2.377 202 Y HA 0.455 5.006 4.550 0.000 0.000 0.330 202 Y C 0.739 176.660 175.900 0.036 0.000 1.108 202 Y CA 1.079 59.115 58.100 -0.106 0.000 1.308 202 Y CB 0.558 38.875 38.460 -0.239 0.000 1.216 202 Y HN 0.832 nan 8.280 nan 0.000 0.518 203 G N 3.351 111.899 108.800 -0.420 0.000 2.718 203 G HA2 0.509 4.469 3.960 0.001 0.000 0.295 203 G HA3 0.509 4.469 3.960 0.001 0.000 0.295 203 G C -1.351 173.306 174.900 -0.405 0.000 1.421 203 G CA -0.211 44.734 45.100 -0.258 0.000 0.902 203 G HN 0.762 nan 8.290 nan 0.000 0.501 204 T N -1.909 112.505 114.554 -0.234 0.000 2.626 204 T HA 0.704 5.054 4.350 0.001 0.000 0.285 204 T C -1.035 173.567 174.700 -0.164 0.000 1.194 204 T CA 0.388 62.364 62.100 -0.206 0.000 1.112 204 T CB 0.835 69.685 68.868 -0.029 0.000 1.714 204 T HN 1.973 nan 8.240 nan 0.000 0.457 205 C N 0.588 119.854 119.300 -0.057 0.000 3.321 205 C HA 0.948 5.408 4.460 0.001 0.000 0.329 205 C C -1.654 173.482 174.990 0.244 0.000 1.394 205 C CA -0.943 58.123 59.018 0.080 0.000 1.291 205 C CB 0.258 27.988 27.740 -0.017 0.000 1.606 205 C HN 1.033 nan 8.230 nan 0.000 0.463 206 I N 0.438 121.137 120.570 0.215 0.000 2.913 206 I HA 0.601 4.771 4.170 0.001 0.000 0.302 206 I C -0.186 175.850 176.117 -0.135 0.000 1.246 206 I CA -0.639 60.695 61.300 0.057 0.000 1.010 206 I CB 2.098 40.158 38.000 0.100 0.000 1.259 206 I HN 0.869 nan 8.210 nan 0.000 0.434 207 R N 3.983 124.084 120.500 -0.665 0.000 2.570 207 R HA 0.090 4.431 4.340 0.001 0.000 0.277 207 R C 0.865 176.897 176.300 -0.448 0.000 1.039 207 R CA -0.198 55.364 56.100 -0.896 0.000 1.065 207 R CB 0.302 29.750 30.300 -1.420 0.000 0.964 207 R HN 0.592 nan 8.270 nan 0.000 0.428 208 L N 3.302 124.302 121.223 -0.372 0.000 2.046 208 L HA -0.215 4.125 4.340 0.001 0.000 0.208 208 L C 2.140 178.960 176.870 -0.083 0.000 1.077 208 L CA 2.323 57.064 54.840 -0.166 0.000 0.747 208 L CB -0.616 41.351 42.059 -0.152 0.000 0.896 208 L HN 0.824 nan 8.230 nan 0.000 0.432 209 S N -1.755 113.885 115.700 -0.100 0.000 2.399 209 S HA -0.222 4.248 4.470 0.001 0.000 0.231 209 S C 1.762 176.475 174.600 0.189 0.000 1.022 209 S CA 1.051 59.271 58.200 0.032 0.000 0.983 209 S CB -1.159 62.062 63.200 0.035 0.000 0.803 209 S HN 0.590 nan 8.310 nan 0.000 0.480 210 W N 1.423 122.655 121.300 -0.114 0.000 2.388 210 W HA 0.124 4.784 4.660 0.000 0.000 0.294 210 W C 2.784 179.262 176.519 -0.068 0.000 1.212 210 W CA -0.876 56.417 57.345 -0.085 0.000 1.271 210 W CB -1.667 27.741 29.460 -0.087 0.000 1.126 210 W HN 0.362 nan 8.180 nan 0.000 0.535 211 C N -0.206 119.188 119.300 0.157 0.000 2.422 211 C HA -0.170 4.291 4.460 0.001 0.000 0.279 211 C C 2.418 177.431 174.990 0.037 0.000 1.305 211 C CA 0.715 59.775 59.018 0.069 0.000 1.757 211 C CB -1.144 26.615 27.740 0.032 0.000 1.962 211 C HN 0.183 nan 8.230 nan 0.000 0.499 212 M N 0.280 119.905 119.600 0.041 0.000 2.561 212 M HA 0.153 4.634 4.480 0.001 0.000 0.238 212 M C 0.131 176.439 176.300 0.013 0.000 1.131 212 M CA 0.579 55.893 55.300 0.023 0.000 1.046 212 M CB -1.140 31.472 32.600 0.020 0.000 1.532 212 M HN 0.267 nan 8.290 nan 0.000 0.497 213 D N 1.932 122.341 120.400 0.014 0.000 2.347 213 D HA 0.213 4.854 4.640 0.001 0.000 0.235 213 D C -1.845 174.430 176.300 -0.042 0.000 1.149 213 D CA -1.992 51.998 54.000 -0.016 0.000 0.850 213 D CB 1.873 42.653 40.800 -0.034 0.000 1.061 213 D HN -0.044 nan 8.370 nan 0.000 0.487 214 P HA -0.079 nan 4.420 nan 0.000 0.222 214 P C 0.887 178.145 177.300 -0.069 0.000 1.147 214 P CA 0.643 63.706 63.100 -0.062 0.000 0.790 214 P CB 0.430 32.107 31.700 -0.038 0.000 0.780 215 E N -0.424 119.736 120.200 -0.066 0.000 2.268 215 E HA -0.090 4.260 4.350 0.001 0.000 0.195 215 E C 1.890 178.434 176.600 -0.093 0.000 0.995 215 E CA 0.721 57.077 56.400 -0.073 0.000 0.836 215 E CB -0.165 29.487 29.700 -0.080 0.000 0.763 215 E HN 0.377 nan 8.360 nan 0.000 0.491 216 R N -0.467 119.969 120.500 -0.107 0.000 2.223 216 R HA 0.075 4.416 4.340 0.001 0.000 0.198 216 R C 0.944 177.192 176.300 -0.087 0.000 0.984 216 R CA 0.203 56.232 56.100 -0.118 0.000 1.018 216 R CB -0.124 30.091 30.300 -0.140 0.000 0.945 216 R HN 0.050 nan 8.270 nan 0.000 0.479 217 C N 2.308 121.551 119.300 -0.094 0.000 3.899 217 C HA -0.162 4.298 4.460 0.001 0.000 0.297 217 C C 0.470 175.397 174.990 -0.105 0.000 1.371 217 C CA -0.422 58.524 59.018 -0.121 0.000 2.088 217 C CB -2.365 25.307 27.740 -0.114 0.000 1.346 217 C HN 0.311 nan 8.230 nan 0.000 0.658 218 I N 2.391 122.916 120.570 -0.075 0.000 2.533 218 I HA 0.232 4.402 4.170 0.001 0.000 0.284 218 I C 0.761 176.827 176.117 -0.084 0.000 1.109 218 I CA 0.900 62.164 61.300 -0.060 0.000 1.412 218 I CB 0.544 38.544 38.000 0.001 0.000 1.396 218 I HN 0.421 nan 8.210 nan 0.000 0.543 219 M N 6.754 126.290 119.600 -0.108 0.000 2.664 219 M HA 0.541 5.022 4.480 0.001 0.000 0.314 219 M C -0.703 175.537 176.300 -0.101 0.000 1.200 219 M CA -0.688 54.552 55.300 -0.101 0.000 0.916 219 M CB 2.622 35.159 32.600 -0.105 0.000 1.717 219 M HN 0.353 nan 8.290 nan 0.000 0.470 220 I N 1.768 122.300 120.570 -0.063 0.000 2.328 220 I HA 0.496 4.666 4.170 0.001 0.000 0.287 220 I C -0.183 175.925 176.117 -0.015 0.000 1.012 220 I CA -0.521 60.755 61.300 -0.040 0.000 1.195 220 I CB 1.254 39.251 38.000 -0.004 0.000 1.350 220 I HN 0.684 nan 8.210 nan 0.000 0.464 221 A N 5.571 128.356 122.820 -0.059 0.000 2.312 221 A HA 0.637 4.957 4.320 0.001 0.000 0.328 221 A C -0.354 177.242 177.584 0.020 0.000 1.158 221 A CA -0.370 51.619 52.037 -0.080 0.000 0.821 221 A CB 0.536 19.538 19.000 0.003 0.000 1.170 221 A HN 0.794 nan 8.150 nan 0.000 0.490 222 Y N -1.157 119.161 120.300 0.029 0.000 2.563 222 Y HA 0.464 5.015 4.550 0.000 0.000 0.250 222 Y C 0.229 176.085 175.900 -0.072 0.000 1.126 222 Y CA -0.419 57.698 58.100 0.028 0.000 1.231 222 Y CB -0.009 38.515 38.460 0.107 0.000 1.288 222 Y HN 0.562 nan 8.280 nan 0.000 0.537 223 Q N 1.446 121.074 119.800 -0.286 0.000 2.423 223 Q HA 0.431 4.771 4.340 0.001 0.000 0.278 223 Q C -1.585 174.186 176.000 -0.381 0.000 1.097 223 Q CA -0.919 54.659 55.803 -0.376 0.000 0.809 223 Q CB 3.225 31.608 28.738 -0.590 0.000 1.391 223 Q HN 0.332 nan 8.270 nan 0.000 0.428 224 Q N 1.717 121.185 119.800 -0.553 0.000 2.290 224 Q HA 0.266 4.606 4.340 0.001 0.000 0.269 224 Q C -1.028 174.503 176.000 -0.781 0.000 1.016 224 Q CA -0.072 55.202 55.803 -0.883 0.000 0.754 224 Q CB 0.823 28.922 28.738 -1.064 0.000 1.247 224 Q HN 0.847 nan 8.270 nan 0.000 0.451 225 N N 2.987 121.248 118.700 -0.730 0.000 2.721 225 N HA -0.301 4.439 4.740 0.001 0.000 0.249 225 N C 0.472 175.408 175.510 -0.956 0.000 1.072 225 N CA 0.469 53.183 53.050 -0.561 0.000 0.710 225 N CB -0.821 37.429 38.487 -0.395 0.000 0.993 225 N HN 1.070 nan 8.380 nan 0.000 0.547 226 G N -0.702 107.200 108.800 -1.496 0.000 2.179 226 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 226 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 226 G C -0.175 174.173 174.900 -0.920 0.000 0.977 226 G CA 0.761 44.646 45.100 -2.025 0.000 0.641 226 G HN 0.584 nan 8.290 nan 0.000 0.533 227 E N -0.710 119.102 120.200 -0.645 0.000 2.231 227 E HA 0.451 4.801 4.350 0.001 0.000 0.277 227 E C -0.100 176.305 176.600 -0.324 0.000 0.999 227 E CA -1.143 55.039 56.400 -0.364 0.000 0.827 227 E CB 0.767 30.331 29.700 -0.227 0.000 1.101 227 E HN 0.338 nan 8.360 nan 0.000 0.393 228 W N 2.499 123.748 121.300 -0.085 0.000 2.314 228 W HA -0.041 4.619 4.660 0.000 0.000 0.339 228 W C 0.303 176.799 176.519 -0.038 0.000 1.293 228 W CA -0.241 57.092 57.345 -0.020 0.000 1.288 228 W CB 0.087 29.556 29.460 0.016 0.000 1.186 228 W HN 0.285 nan 8.180 nan 0.000 0.566 229 L N 3.840 125.183 121.223 0.200 0.000 2.514 229 L HA 0.001 4.341 4.340 0.001 0.000 0.280 229 L C 0.835 177.822 176.870 0.196 0.000 1.223 229 L CA -0.069 54.817 54.840 0.076 0.000 0.864 229 L CB -0.143 41.959 42.059 0.071 0.000 1.118 229 L HN 0.434 nan 8.230 nan 0.000 0.494 230 H N 3.042 122.162 119.070 0.083 0.000 2.615 230 H HA 0.046 4.602 4.556 0.000 0.000 0.363 230 H C -1.483 173.889 175.328 0.074 0.000 1.148 230 H CA -1.726 54.372 56.048 0.083 0.000 1.401 230 H CB 0.784 30.610 29.762 0.107 0.000 1.461 230 H HN 0.426 nan 8.280 nan 0.000 0.588 231 P HA -0.217 nan 4.420 nan 0.000 0.215 231 P C 0.973 178.474 177.300 0.335 0.000 1.157 231 P CA 1.309 64.556 63.100 0.245 0.000 0.874 231 P CB 0.212 32.039 31.700 0.211 0.000 0.790 232 D N -1.974 118.511 120.400 0.140 0.000 2.265 232 D HA -0.142 4.498 4.640 0.001 0.000 0.208 232 D C 1.017 177.152 176.300 -0.276 0.000 0.977 232 D CA 1.206 55.198 54.000 -0.014 0.000 0.871 232 D CB -0.458 40.218 40.800 -0.207 0.000 0.925 232 D HN 0.425 nan 8.370 nan 0.000 0.485 233 H N -2.006 117.058 119.070 -0.011 0.000 2.542 233 H HA 0.386 4.942 4.556 0.000 0.000 0.283 233 H C 1.167 176.286 175.328 -0.347 0.000 1.059 233 H CA 0.316 56.241 56.048 -0.205 0.000 1.162 233 H CB 0.985 30.625 29.762 -0.203 0.000 1.539 233 H HN 0.114 nan 8.280 nan 0.000 0.543 234 G N 1.159 109.702 108.800 -0.428 0.000 2.159 234 G HA2 -0.268 3.692 3.960 0.001 0.000 0.170 234 G HA3 -0.268 3.692 3.960 0.001 0.000 0.170 234 G C 0.133 174.782 174.900 -0.419 0.000 1.007 234 G CA -0.395 44.136 45.100 -0.947 0.000 0.672 234 G HN 0.362 nan 8.290 nan 0.000 0.507 235 K N 1.283 121.649 120.400 -0.056 0.000 2.530 235 K HA 0.136 4.456 4.320 0.001 0.000 0.280 235 K C -1.075 175.374 176.600 -0.251 0.000 1.004 235 K CA 0.105 56.356 56.287 -0.060 0.000 1.071 235 K CB 0.819 33.321 32.500 0.004 0.000 0.876 235 K HN 0.127 nan 8.250 nan 0.000 0.487 236 P HA 0.111 nan 4.420 nan 0.000 0.267 236 P C -0.828 176.365 177.300 -0.177 0.000 1.289 236 P CA -0.011 62.915 63.100 -0.289 0.000 0.866 236 P CB 0.360 31.870 31.700 -0.316 0.000 1.309 237 L N 0.457 121.501 121.223 -0.298 0.000 2.549 237 L HA 0.519 4.860 4.340 0.001 0.000 0.259 237 L C -0.873 175.927 176.870 -0.117 0.000 0.934 237 L CA -0.759 54.023 54.840 -0.096 0.000 0.865 237 L CB 2.136 44.187 42.059 -0.013 0.000 1.352 237 L HN -0.094 nan 8.230 nan 0.000 0.410 238 R N 2.904 123.345 120.500 -0.098 0.000 2.817 238 R HA 0.895 5.235 4.340 0.001 0.000 0.268 238 R C -1.781 174.431 176.300 -0.146 0.000 1.027 238 R CA -0.962 55.038 56.100 -0.165 0.000 0.928 238 R CB 1.629 31.747 30.300 -0.303 0.000 1.228 238 R HN 0.266 nan 8.270 nan 0.000 0.469 239 V N 1.426 121.250 119.914 -0.151 0.000 2.567 239 V HA 0.406 4.527 4.120 0.001 0.000 0.289 239 V C -0.397 175.525 176.094 -0.287 0.000 1.049 239 V CA -0.649 61.559 62.300 -0.154 0.000 0.969 239 V CB 1.610 33.393 31.823 -0.068 0.000 0.995 239 V HN 0.508 nan 8.190 nan 0.000 0.471 240 V N 5.817 125.528 119.914 -0.339 0.000 2.444 240 V HA 0.490 4.610 4.120 0.001 0.000 0.294 240 V C -0.301 175.627 176.094 -0.277 0.000 1.022 240 V CA -0.315 61.692 62.300 -0.489 0.000 0.850 240 V CB 1.705 33.015 31.823 -0.854 0.000 0.992 240 V HN 0.670 nan 8.190 nan 0.000 0.426 241 I N 6.714 127.167 120.570 -0.195 0.000 2.428 241 I HA 0.347 4.517 4.170 0.001 0.000 0.279 241 I C -2.483 173.596 176.117 -0.063 0.000 1.040 241 I CA -1.893 59.368 61.300 -0.065 0.000 1.171 241 I CB 1.844 39.873 38.000 0.047 0.000 1.312 241 I HN 0.386 nan 8.210 nan 0.000 0.470 242 P HA 0.077 nan 4.420 nan 0.000 0.267 242 P C 0.990 178.269 177.300 -0.034 0.000 1.200 242 P CA 0.615 63.675 63.100 -0.066 0.000 0.772 242 P CB 0.678 32.340 31.700 -0.063 0.000 0.855 243 G N 0.273 109.057 108.800 -0.026 0.000 2.162 243 G HA2 -0.185 3.775 3.960 0.001 0.000 0.260 243 G HA3 -0.185 3.775 3.960 0.001 0.000 0.260 243 G C -0.047 174.876 174.900 0.039 0.000 0.976 243 G CA 0.055 45.153 45.100 -0.003 0.000 0.655 243 G HN 0.557 nan 8.290 nan 0.000 0.533 244 V N 1.705 121.652 119.914 0.055 0.000 2.876 244 V HA 0.636 4.756 4.120 0.001 0.000 0.312 244 V C 1.025 177.159 176.094 0.068 0.000 1.085 244 V CA -0.752 61.627 62.300 0.132 0.000 0.945 244 V CB 1.948 33.913 31.823 0.237 0.000 1.017 244 V HN 0.699 nan 8.190 nan 0.000 0.428 245 I N 0.983 121.597 120.570 0.073 0.000 3.003 245 I HA 0.254 4.424 4.170 0.001 0.000 0.294 245 I C 1.616 177.751 176.117 0.031 0.000 1.237 245 I CA 0.683 61.995 61.300 0.020 0.000 1.417 245 I CB 0.125 38.136 38.000 0.019 0.000 1.340 245 I HN 0.695 nan 8.210 nan 0.000 0.594 246 G N 3.527 112.341 108.800 0.023 0.000 2.462 246 G HA2 -0.180 3.780 3.960 0.001 0.000 0.220 246 G HA3 -0.180 3.780 3.960 0.001 0.000 0.220 246 G C 1.429 176.373 174.900 0.074 0.000 1.121 246 G CA 0.733 45.871 45.100 0.062 0.000 0.758 246 G HN 1.042 nan 8.290 nan 0.000 0.559 247 G N 0.584 109.452 108.800 0.114 0.000 2.485 247 G HA2 -0.205 3.755 3.960 0.001 0.000 0.221 247 G HA3 -0.205 3.755 3.960 0.001 0.000 0.221 247 G C 1.819 176.862 174.900 0.238 0.000 1.115 247 G CA 0.544 45.769 45.100 0.209 0.000 0.751 247 G HN 0.372 nan 8.290 nan 0.000 0.567 248 R N 0.393 120.983 120.500 0.151 0.000 2.300 248 R HA 0.146 4.486 4.340 0.001 0.000 0.199 248 R C 0.657 177.020 176.300 0.105 0.000 0.920 248 R CA 0.000 56.195 56.100 0.159 0.000 1.046 248 R CB -0.157 30.255 30.300 0.187 0.000 0.984 248 R HN 0.159 nan 8.270 nan 0.000 0.493 249 S N 1.753 117.473 115.700 0.033 0.000 3.869 249 S HA 0.172 4.642 4.470 0.001 0.000 0.241 249 S C 0.125 174.668 174.600 -0.095 0.000 1.363 249 S CA -0.296 57.854 58.200 -0.083 0.000 0.894 249 S CB 0.388 63.470 63.200 -0.197 0.000 1.519 249 S HN -0.104 nan 8.310 nan 0.000 0.470 250 V N 4.376 124.284 119.914 -0.009 0.000 2.529 250 V HA 0.056 4.176 4.120 0.001 0.000 0.292 250 V C 0.729 176.755 176.094 -0.113 0.000 1.028 250 V CA 0.257 62.577 62.300 0.034 0.000 1.074 250 V CB 0.184 32.099 31.823 0.154 0.000 0.958 250 V HN 0.573 nan 8.190 nan 0.000 0.481 251 K N 4.513 124.755 120.400 -0.262 0.000 2.087 251 K HA 0.291 4.611 4.320 0.001 0.000 0.255 251 K C -0.218 176.237 176.600 -0.243 0.000 0.988 251 K CA -0.545 55.375 56.287 -0.612 0.000 0.915 251 K CB 0.718 32.344 32.500 -1.456 0.000 1.043 251 K HN 0.730 nan 8.250 nan 0.000 0.457 252 W N 1.217 122.514 121.300 -0.005 0.000 5.963 252 W HA -0.207 4.453 4.660 0.000 0.000 0.400 252 W C -0.284 176.431 176.519 0.326 0.000 1.530 252 W CA -0.408 56.966 57.345 0.048 0.000 1.004 252 W CB -2.121 27.389 29.460 0.084 0.000 2.706 252 W HN 0.406 nan 8.180 nan 0.000 1.495 253 L N 1.695 123.144 121.223 0.377 0.000 2.462 253 L HA 0.094 4.435 4.340 0.001 0.000 0.272 253 L C 1.261 178.427 176.870 0.493 0.000 1.166 253 L CA 1.044 56.097 54.840 0.354 0.000 0.880 253 L CB 0.662 42.845 42.059 0.206 0.000 1.142 253 L HN -0.066 nan 8.230 nan 0.000 0.473 254 K N 3.514 124.090 120.400 0.293 0.000 2.424 254 K HA 0.252 4.572 4.320 0.001 0.000 0.198 254 K C -0.123 176.500 176.600 0.039 0.000 1.190 254 K CA 0.358 56.712 56.287 0.113 0.000 0.935 254 K CB 0.471 33.003 32.500 0.054 0.000 1.087 254 K HN 0.603 nan 8.250 nan 0.000 0.524 255 K N 0.582 121.025 120.400 0.072 0.000 2.525 255 K HA 0.407 4.727 4.320 0.001 0.000 0.254 255 K C -1.554 175.077 176.600 0.052 0.000 0.934 255 K CA -0.411 55.898 56.287 0.037 0.000 0.802 255 K CB 1.543 34.073 32.500 0.050 0.000 1.295 255 K HN -0.132 nan 8.250 nan 0.000 0.433 256 L N 4.031 125.257 121.223 0.006 0.000 2.343 256 L HA 0.496 4.836 4.340 0.001 0.000 0.278 256 L C -0.950 175.897 176.870 -0.039 0.000 0.996 256 L CA -1.130 53.711 54.840 0.001 0.000 0.831 256 L CB 1.894 43.932 42.059 -0.035 0.000 1.232 256 L HN 0.244 nan 8.230 nan 0.000 0.413 257 V N 4.117 124.010 119.914 -0.035 0.000 2.378 257 V HA 0.323 4.443 4.120 0.001 0.000 0.288 257 V C 0.173 176.043 176.094 -0.372 0.000 1.016 257 V CA -0.742 61.440 62.300 -0.197 0.000 0.840 257 V CB 1.982 33.671 31.823 -0.223 0.000 0.994 257 V HN 0.391 nan 8.190 nan 0.000 0.431 258 V N 4.426 124.157 119.914 -0.305 0.000 2.455 258 V HA 0.504 4.624 4.120 0.001 0.000 0.273 258 V C 0.492 176.338 176.094 -0.413 0.000 1.045 258 V CA 0.579 62.712 62.300 -0.278 0.000 0.976 258 V CB 1.278 33.011 31.823 -0.150 0.000 0.993 258 V HN 0.962 nan 8.190 nan 0.000 0.475 259 S N 2.028 117.474 115.700 -0.424 0.000 2.697 259 S HA 0.469 4.939 4.470 0.001 0.000 0.289 259 S C 0.049 174.606 174.600 -0.072 0.000 1.149 259 S CA -0.338 57.624 58.200 -0.398 0.000 0.850 259 S CB 1.970 64.653 63.200 -0.862 0.000 1.151 259 S HN 0.880 nan 8.310 nan 0.000 0.491 260 D N 0.528 120.931 120.400 0.005 0.000 2.369 260 D HA 0.167 4.807 4.640 0.001 0.000 0.211 260 D C 0.503 176.944 176.300 0.234 0.000 1.077 260 D CA -0.127 53.934 54.000 0.103 0.000 0.842 260 D CB -0.060 40.767 40.800 0.044 0.000 0.947 260 D HN 0.594 nan 8.370 nan 0.000 0.509 261 R N -1.222 119.428 120.500 0.250 0.000 2.764 261 R HA 0.622 4.963 4.340 0.001 0.000 0.270 261 R C -3.359 172.781 176.300 -0.268 0.000 1.014 261 R CA -1.793 54.357 56.100 0.083 0.000 0.904 261 R CB 0.540 30.896 30.300 0.094 0.000 1.236 261 R HN -0.292 nan 8.270 nan 0.000 0.466 262 P HA -0.013 nan 4.420 nan 0.000 0.272 262 P C -0.278 176.600 177.300 -0.703 0.000 1.240 262 P CA -0.295 62.160 63.100 -1.074 0.000 0.791 262 P CB 0.643 31.875 31.700 -0.779 0.000 0.978 263 S N 0.235 115.229 115.700 -1.177 0.000 2.561 263 S HA -0.078 4.393 4.470 0.001 0.000 0.294 263 S C 0.548 174.446 174.600 -1.170 0.000 1.294 263 S CA 0.323 57.536 58.200 -1.646 0.000 1.055 263 S CB -0.374 62.000 63.200 -1.376 0.000 0.819 263 S HN 0.351 nan 8.310 nan 0.000 0.503 264 E N 2.286 121.821 120.200 -1.109 0.000 2.558 264 E HA 0.130 4.480 4.350 0.001 0.000 0.205 264 E C -0.178 176.089 176.600 -0.554 0.000 1.006 264 E CA -0.232 55.763 56.400 -0.675 0.000 0.961 264 E CB 0.181 29.694 29.700 -0.312 0.000 1.044 264 E HN 0.709 nan 8.360 nan 0.000 0.465 265 N N 0.047 118.378 118.700 -0.614 0.000 2.492 265 N HA -0.074 4.666 4.740 0.001 0.000 0.260 265 N C 0.487 175.858 175.510 -0.232 0.000 1.215 265 N CA -0.096 52.770 53.050 -0.307 0.000 0.923 265 N CB 0.487 38.810 38.487 -0.274 0.000 1.092 265 N HN 0.172 nan 8.380 nan 0.000 0.448 266 W N 3.183 124.396 121.300 -0.145 0.000 2.305 266 W HA -0.284 4.376 4.660 0.000 0.000 0.308 266 W C 0.916 177.303 176.519 -0.221 0.000 1.226 266 W CA 1.381 58.681 57.345 -0.075 0.000 1.253 266 W CB -0.279 29.073 29.460 -0.179 0.000 1.146 266 W HN 0.722 nan 8.180 nan 0.000 0.507 267 Y N -1.796 118.597 120.300 0.155 0.000 2.373 267 Y HA -0.180 4.370 4.550 0.000 0.000 0.293 267 Y C 2.424 178.150 175.900 -0.289 0.000 1.129 267 Y CA 1.844 59.923 58.100 -0.034 0.000 1.226 267 Y CB -1.052 37.249 38.460 -0.264 0.000 1.000 267 Y HN 0.054 nan 8.280 nan 0.000 0.549 268 H N -1.165 117.676 119.070 -0.383 0.000 2.423 268 H HA -0.161 4.395 4.556 0.001 0.000 0.297 268 H C 1.521 176.549 175.328 -0.500 0.000 1.075 268 H CA 1.923 57.680 56.048 -0.485 0.000 1.342 268 H CB -0.302 29.069 29.762 -0.652 0.000 1.395 268 H HN 0.421 nan 8.280 nan 0.000 0.530 269 Y N -1.652 118.305 120.300 -0.572 0.000 2.176 269 Y HA -0.036 4.514 4.550 0.000 0.000 0.291 269 Y C 1.251 176.624 175.900 -0.878 0.000 1.122 269 Y CA 0.486 58.063 58.100 -0.871 0.000 1.128 269 Y CB 0.006 37.592 38.460 -1.456 0.000 1.005 269 Y HN 0.079 nan 8.280 nan 0.000 0.509 270 F N -0.451 119.105 119.950 -0.656 0.000 2.645 270 F HA 0.183 4.711 4.527 0.001 0.000 0.300 270 F C 0.024 175.411 175.800 -0.688 0.000 1.115 270 F CA -0.152 57.170 58.000 -1.129 0.000 1.355 270 F CB 0.386 38.173 39.000 -2.022 0.000 1.026 270 F HN -0.044 nan 8.300 nan 0.000 0.536 271 D N -0.713 119.614 120.400 -0.122 0.000 2.579 271 D HA 0.231 4.871 4.640 0.001 0.000 0.257 271 D C -0.584 175.802 176.300 0.143 0.000 1.176 271 D CA -0.723 53.363 54.000 0.143 0.000 0.914 271 D CB 1.153 42.156 40.800 0.339 0.000 1.431 271 D HN 0.006 nan 8.370 nan 0.000 0.454 272 N N 0.512 119.328 118.700 0.193 0.000 2.738 272 N HA -0.201 4.539 4.740 0.001 0.000 0.249 272 N C -0.808 174.721 175.510 0.032 0.000 1.047 272 N CA 0.618 53.728 53.050 0.100 0.000 0.707 272 N CB -0.501 38.025 38.487 0.065 0.000 0.937 272 N HN 0.206 nan 8.380 nan 0.000 0.545 273 R N -0.058 120.511 120.500 0.115 0.000 2.686 273 R HA 0.519 4.859 4.340 0.001 0.000 0.283 273 R C -0.873 175.448 176.300 0.034 0.000 0.978 273 R CA -0.848 55.297 56.100 0.075 0.000 0.897 273 R CB 2.054 32.431 30.300 0.127 0.000 1.192 273 R HN -0.102 nan 8.270 nan 0.000 0.457 274 V N 4.985 124.902 119.914 0.006 0.000 2.288 274 V HA 0.234 4.354 4.120 0.001 0.000 0.266 274 V C 0.445 176.463 176.094 -0.127 0.000 1.048 274 V CA -0.496 61.779 62.300 -0.042 0.000 0.842 274 V CB 0.515 32.316 31.823 -0.035 0.000 1.064 274 V HN 0.519 nan 8.190 nan 0.000 0.472 275 L N 6.170 127.240 121.223 -0.255 0.000 2.452 275 L HA 0.301 4.641 4.340 0.001 0.000 0.267 275 L C -2.000 174.618 176.870 -0.419 0.000 1.188 275 L CA -1.628 52.921 54.840 -0.484 0.000 0.821 275 L CB 0.251 41.938 42.059 -0.619 0.000 1.102 275 L HN 0.332 nan 8.230 nan 0.000 0.470 276 P HA -0.033 nan 4.420 nan 0.000 0.265 276 P C 0.616 177.719 177.300 -0.328 0.000 1.187 276 P CA 0.100 62.996 63.100 -0.340 0.000 0.766 276 P CB 0.453 31.909 31.700 -0.406 0.000 0.820 277 T N -0.215 114.122 114.554 -0.362 0.000 2.881 277 T HA -0.169 4.181 4.350 0.001 0.000 0.270 277 T C 1.389 175.911 174.700 -0.297 0.000 1.068 277 T CA 1.083 62.875 62.100 -0.513 0.000 1.131 277 T CB -0.597 67.820 68.868 -0.752 0.000 0.871 277 T HN 0.418 nan 8.240 nan 0.000 0.479 278 M N 0.779 120.212 119.600 -0.278 0.000 2.618 278 M HA 0.266 4.747 4.480 0.001 0.000 0.240 278 M C 0.067 176.203 176.300 -0.272 0.000 1.123 278 M CA 0.167 55.334 55.300 -0.222 0.000 1.060 278 M CB -1.248 31.256 32.600 -0.160 0.000 1.535 278 M HN -0.053 nan 8.290 nan 0.000 0.507 279 V N 3.931 123.595 119.914 -0.417 0.000 2.427 279 V HA 0.201 4.321 4.120 0.001 0.000 0.268 279 V C 0.860 176.766 176.094 -0.312 0.000 1.046 279 V CA -0.232 61.721 62.300 -0.579 0.000 0.970 279 V CB 0.400 31.557 31.823 -1.109 0.000 1.001 279 V HN 0.607 nan 8.190 nan 0.000 0.476 280 T N 3.861 118.292 114.554 -0.204 0.000 2.849 280 T HA 0.303 4.653 4.350 0.001 0.000 0.284 280 T C -1.684 173.006 174.700 -0.016 0.000 1.004 280 T CA -1.802 60.259 62.100 -0.066 0.000 1.021 280 T CB 1.327 70.161 68.868 -0.055 0.000 1.013 280 T HN 0.392 nan 8.240 nan 0.000 0.527 281 P HA -0.096 nan 4.420 nan 0.000 0.216 281 P C 1.221 178.589 177.300 0.114 0.000 1.150 281 P CA 1.108 64.286 63.100 0.131 0.000 0.843 281 P CB 0.046 31.844 31.700 0.163 0.000 0.787 282 E N -1.097 119.148 120.200 0.075 0.000 2.051 282 E HA -0.139 4.212 4.350 0.001 0.000 0.192 282 E C 2.070 178.729 176.600 0.098 0.000 0.991 282 E CA 1.328 57.774 56.400 0.077 0.000 0.799 282 E CB -0.896 28.832 29.700 0.047 0.000 0.748 282 E HN 0.223 nan 8.360 nan 0.000 0.449 283 M N -0.002 119.638 119.600 0.067 0.000 2.108 283 M HA -0.165 4.315 4.480 0.001 0.000 0.261 283 M C 2.254 178.675 176.300 0.202 0.000 1.066 283 M CA 1.696 57.063 55.300 0.112 0.000 1.107 283 M CB -0.203 32.390 32.600 -0.010 0.000 1.356 283 M HN 0.193 nan 8.290 nan 0.000 0.406 284 A N -0.310 122.580 122.820 0.117 0.000 1.968 284 A HA -0.147 4.174 4.320 0.001 0.000 0.217 284 A C 2.114 180.015 177.584 0.527 0.000 1.169 284 A CA 1.514 53.724 52.037 0.288 0.000 0.638 284 A CB -0.493 18.612 19.000 0.175 0.000 0.812 284 A HN 0.430 nan 8.150 nan 0.000 0.446 285 K N -0.251 120.345 120.400 0.326 0.000 2.103 285 K HA -0.042 4.278 4.320 0.001 0.000 0.204 285 K C 1.929 178.651 176.600 0.204 0.000 1.052 285 K CA 1.405 57.837 56.287 0.241 0.000 0.945 285 K CB -0.059 32.534 32.500 0.155 0.000 0.722 285 K HN 0.431 nan 8.250 nan 0.000 0.443 286 S N 0.266 116.087 115.700 0.203 0.000 2.446 286 S HA -0.059 4.412 4.470 0.001 0.000 0.225 286 S C 0.178 174.888 174.600 0.183 0.000 1.016 286 S CA 0.538 58.835 58.200 0.162 0.000 0.943 286 S CB 0.148 63.431 63.200 0.139 0.000 0.786 286 S HN 0.301 nan 8.310 nan 0.000 0.508 287 D N 0.709 121.275 120.400 0.277 0.000 2.420 287 D HA 0.264 4.905 4.640 0.001 0.000 0.255 287 D C -0.434 176.068 176.300 0.337 0.000 1.185 287 D CA -0.424 53.721 54.000 0.243 0.000 0.904 287 D CB 0.851 41.782 40.800 0.218 0.000 1.102 287 D HN -0.247 nan 8.370 nan 0.000 0.534 288 D N 2.096 122.669 120.400 0.289 0.000 2.265 288 D HA -0.118 4.523 4.640 0.001 0.000 0.208 288 D C 1.734 178.202 176.300 0.280 0.000 0.977 288 D CA 0.710 54.960 54.000 0.417 0.000 0.871 288 D CB 0.260 41.226 40.800 0.275 0.000 0.925 288 D HN 0.460 nan 8.370 nan 0.000 0.485 289 R N -0.625 119.901 120.500 0.044 0.000 2.159 289 R HA -0.136 4.204 4.340 0.001 0.000 0.237 289 R C 2.091 178.308 176.300 -0.139 0.000 1.131 289 R CA 0.925 56.947 56.100 -0.131 0.000 0.982 289 R CB -0.352 29.791 30.300 -0.261 0.000 0.868 289 R HN 0.352 nan 8.270 nan 0.000 0.453 290 W N -0.657 120.643 121.300 0.000 0.000 2.364 290 W HA -0.192 4.469 4.660 0.001 0.000 0.281 290 W C 0.968 177.356 176.519 -0.218 0.000 1.219 290 W CA 0.253 57.517 57.345 -0.135 0.000 1.220 290 W CB -0.128 29.135 29.460 -0.329 0.000 1.127 290 W HN 0.191 nan 8.180 nan 0.000 0.556 291 W N -0.528 120.859 121.300 0.144 0.000 3.278 291 W HA 0.161 4.821 4.660 0.000 0.000 0.308 291 W C 1.298 177.681 176.519 -0.226 0.000 1.253 291 W CA 0.016 57.319 57.345 -0.069 0.000 1.759 291 W CB -0.048 29.250 29.460 -0.270 0.000 1.093 291 W HN -0.302 nan 8.180 nan 0.000 0.648 292 K N 0.185 120.550 120.400 -0.058 0.000 2.438 292 K HA 0.073 4.393 4.320 0.001 0.000 0.205 292 K C -0.350 176.187 176.600 -0.104 0.000 1.033 292 K CA 0.008 56.195 56.287 -0.167 0.000 1.089 292 K CB 0.642 32.928 32.500 -0.356 0.000 0.857 292 K HN -0.128 nan 8.250 nan 0.000 0.522 293 D N 2.095 122.419 120.400 -0.127 0.000 2.412 293 D HA 0.055 4.695 4.640 0.001 0.000 0.224 293 D C 0.754 176.892 176.300 -0.270 0.000 1.093 293 D CA 0.010 53.850 54.000 -0.266 0.000 0.850 293 D CB 1.189 41.683 40.800 -0.510 0.000 1.046 293 D HN -0.079 nan 8.370 nan 0.000 0.507 294 E N 2.722 122.846 120.200 -0.128 0.000 2.267 294 E HA -0.168 4.182 4.350 0.001 0.000 0.197 294 E C 1.447 178.036 176.600 -0.018 0.000 0.998 294 E CA 0.604 56.999 56.400 -0.009 0.000 0.830 294 E CB 0.189 29.932 29.700 0.071 0.000 0.751 294 E HN 0.541 nan 8.360 nan 0.000 0.491 295 R N -0.623 119.764 120.500 -0.189 0.000 2.241 295 R HA -0.119 4.222 4.340 0.001 0.000 0.224 295 R C 1.423 177.762 176.300 0.064 0.000 1.101 295 R CA 0.945 56.977 56.100 -0.113 0.000 0.995 295 R CB -0.055 30.115 30.300 -0.217 0.000 0.870 295 R HN 0.403 nan 8.270 nan 0.000 0.463 296 Y N -0.877 119.454 120.300 0.052 0.000 2.444 296 Y HA 0.349 4.899 4.550 0.001 0.000 0.249 296 Y C 0.903 176.793 175.900 -0.018 0.000 1.134 296 Y CA -0.948 57.160 58.100 0.012 0.000 1.261 296 Y CB 0.527 38.979 38.460 -0.013 0.000 1.143 296 Y HN -0.056 nan 8.280 nan 0.000 0.523 297 A N 1.841 124.714 122.820 0.089 0.000 2.450 297 A HA 0.338 4.659 4.320 0.001 0.000 0.255 297 A C -0.185 177.330 177.584 -0.114 0.000 1.096 297 A CA -0.277 51.713 52.037 -0.077 0.000 0.778 297 A CB -0.315 18.609 19.000 -0.127 0.000 1.031 297 A HN 0.346 nan 8.150 nan 0.000 0.494 298 I N 2.658 123.096 120.570 -0.219 0.000 2.371 298 I HA 0.255 4.426 4.170 0.001 0.000 0.290 298 I C 0.106 176.016 176.117 -0.346 0.000 1.028 298 I CA 0.293 61.513 61.300 -0.134 0.000 1.345 298 I CB 0.428 38.396 38.000 -0.054 0.000 1.407 298 I HN 0.845 nan 8.210 nan 0.000 0.501 299 Y N 2.118 122.515 120.300 0.162 0.000 3.131 299 Y HA 0.192 4.742 4.550 0.001 0.000 0.163 299 Y C 0.602 176.647 175.900 0.242 0.000 0.886 299 Y CA -0.462 57.776 58.100 0.230 0.000 1.800 299 Y CB -0.113 38.518 38.460 0.284 0.000 1.321 299 Y HN 0.339 nan 8.280 nan 0.000 0.387 300 D N 1.918 122.602 120.400 0.473 0.000 2.455 300 D HA 0.123 4.763 4.640 0.001 0.000 0.241 300 D C -0.256 176.152 176.300 0.181 0.000 1.138 300 D CA 0.419 54.574 54.000 0.258 0.000 0.877 300 D CB 0.621 41.526 40.800 0.175 0.000 1.187 300 D HN 0.107 nan 8.370 nan 0.000 0.451 301 L N 2.489 123.796 121.223 0.141 0.000 2.467 301 L HA 0.003 4.343 4.340 0.001 0.000 0.270 301 L C 1.169 178.125 176.870 0.142 0.000 1.205 301 L CA -0.499 54.429 54.840 0.146 0.000 0.828 301 L CB 0.130 42.296 42.059 0.179 0.000 1.101 301 L HN 0.448 nan 8.230 nan 0.000 0.479 302 N N 1.850 120.633 118.700 0.138 0.000 2.448 302 N HA 0.316 5.057 4.740 0.001 0.000 0.274 302 N C -0.727 174.850 175.510 0.112 0.000 1.239 302 N CA -0.731 52.383 53.050 0.107 0.000 0.982 302 N CB 0.664 39.194 38.487 0.072 0.000 1.199 302 N HN 0.522 nan 8.380 nan 0.000 0.576 303 L N -0.080 121.181 121.223 0.064 0.000 2.290 303 L HA 0.251 4.591 4.340 0.001 0.000 0.284 303 L C -0.586 176.251 176.870 -0.056 0.000 1.078 303 L CA -0.298 54.553 54.840 0.018 0.000 0.815 303 L CB 0.390 42.461 42.059 0.020 0.000 1.162 303 L HN 0.474 nan 8.230 nan 0.000 0.435 304 Q N 3.327 122.977 119.800 -0.249 0.000 2.353 304 Q HA 0.474 4.814 4.340 0.001 0.000 0.268 304 Q C -0.827 174.986 176.000 -0.312 0.000 1.045 304 Q CA -0.564 55.028 55.803 -0.351 0.000 0.811 304 Q CB 2.440 30.723 28.738 -0.759 0.000 1.305 304 Q HN 0.705 nan 8.270 nan 0.000 0.447 305 T N -0.745 113.692 114.554 -0.195 0.000 2.861 305 T HA 0.745 5.096 4.350 0.001 0.000 0.287 305 T C -0.276 174.280 174.700 -0.241 0.000 1.003 305 T CA -0.684 61.303 62.100 -0.189 0.000 0.977 305 T CB 0.991 69.708 68.868 -0.251 0.000 0.996 305 T HN 0.328 nan 8.240 nan 0.000 0.448 306 I N 2.978 123.313 120.570 -0.391 0.000 2.545 306 I HA 0.444 4.615 4.170 0.001 0.000 0.292 306 I C -0.175 175.665 176.117 -0.460 0.000 1.040 306 I CA -1.468 59.355 61.300 -0.796 0.000 1.068 306 I CB 1.956 39.228 38.000 -1.212 0.000 1.251 306 I HN 0.776 nan 8.210 nan 0.000 0.424 307 I N 4.605 124.934 120.570 -0.402 0.000 2.371 307 I HA 0.216 4.386 4.170 0.001 0.000 0.290 307 I C 0.574 176.604 176.117 -0.145 0.000 1.028 307 I CA 0.020 61.278 61.300 -0.071 0.000 1.345 307 I CB 1.290 39.373 38.000 0.139 0.000 1.407 307 I HN 0.647 nan 8.210 nan 0.000 0.501 308 C N 4.084 123.207 119.300 -0.295 0.000 3.097 308 C HA 0.232 4.692 4.460 0.001 0.000 0.335 308 C C 0.608 175.463 174.990 -0.226 0.000 1.283 308 C CA -0.112 58.761 59.018 -0.241 0.000 1.778 308 C CB -0.341 27.051 27.740 -0.580 0.000 2.365 308 C HN 0.570 nan 8.230 nan 0.000 0.627 309 K N 1.903 122.121 120.400 -0.302 0.000 2.471 309 K HA 0.401 4.721 4.320 0.001 0.000 0.252 309 K C -3.002 173.574 176.600 -0.040 0.000 0.938 309 K CA -1.663 54.542 56.287 -0.136 0.000 0.796 309 K CB 1.569 33.948 32.500 -0.202 0.000 1.161 309 K HN 0.030 nan 8.250 nan 0.000 0.425 310 P HA 0.122 nan 4.420 nan 0.000 0.272 310 P C -0.456 176.878 177.300 0.058 0.000 1.230 310 P CA -0.189 62.790 63.100 -0.202 0.000 0.788 310 P CB 0.944 32.075 31.700 -0.948 0.000 0.949 311 E N 0.483 120.712 120.200 0.049 0.000 2.345 311 E HA 0.140 4.490 4.350 0.001 0.000 0.259 311 E C 0.255 176.883 176.600 0.046 0.000 1.117 311 E CA -0.702 55.710 56.400 0.020 0.000 0.913 311 E CB 0.239 29.933 29.700 -0.010 0.000 1.057 311 E HN 0.379 nan 8.360 nan 0.000 0.432 312 N N 1.800 120.373 118.700 -0.211 0.000 2.412 312 N HA -0.123 4.617 4.740 0.001 0.000 0.258 312 N C -0.423 175.133 175.510 0.076 0.000 1.236 312 N CA 0.734 53.780 53.050 -0.008 0.000 0.882 312 N CB 0.280 38.701 38.487 -0.110 0.000 1.066 312 N HN 0.413 nan 8.380 nan 0.000 0.465 313 Q N -0.966 118.920 119.800 0.144 0.000 2.362 313 Q HA -0.313 4.027 4.340 0.001 0.000 0.220 313 Q C -0.502 175.568 176.000 0.117 0.000 0.713 313 Q CA 0.857 56.726 55.803 0.111 0.000 1.345 313 Q CB -1.908 26.872 28.738 0.069 0.000 1.570 313 Q HN 0.898 nan 8.270 nan 0.000 0.701 314 Q N 0.556 120.454 119.800 0.163 0.000 2.330 314 Q HA 0.301 4.641 4.340 0.001 0.000 0.279 314 Q C -0.620 175.506 176.000 0.210 0.000 1.024 314 Q CA 0.191 56.090 55.803 0.161 0.000 0.900 314 Q CB 0.745 29.559 28.738 0.127 0.000 1.221 314 Q HN 0.101 nan 8.270 nan 0.000 0.396 315 V N 6.364 126.352 119.914 0.123 0.000 2.495 315 V HA 0.503 4.623 4.120 0.001 0.000 0.298 315 V C -0.287 175.858 176.094 0.085 0.000 1.031 315 V CA -0.595 61.753 62.300 0.080 0.000 0.871 315 V CB 1.599 33.441 31.823 0.031 0.000 0.988 315 V HN 0.692 nan 8.190 nan 0.000 0.432 316 I N 3.676 124.296 120.570 0.084 0.000 2.499 316 I HA 0.441 4.611 4.170 0.001 0.000 0.288 316 I C -0.161 175.980 176.117 0.039 0.000 1.048 316 I CA -0.819 60.526 61.300 0.073 0.000 1.062 316 I CB 2.061 40.109 38.000 0.080 0.000 1.238 316 I HN 0.496 nan 8.210 nan 0.000 0.426 317 K N 5.955 126.376 120.400 0.036 0.000 2.412 317 K HA 0.339 4.660 4.320 0.001 0.000 0.281 317 K C -0.388 176.229 176.600 0.028 0.000 1.027 317 K CA -0.242 56.059 56.287 0.023 0.000 0.989 317 K CB 0.592 33.107 32.500 0.024 0.000 0.935 317 K HN 0.484 nan 8.250 nan 0.000 0.475 318 I N 4.053 124.631 120.570 0.012 0.000 2.618 318 I HA -0.044 4.126 4.170 0.001 0.000 0.284 318 I C 0.490 176.619 176.117 0.021 0.000 1.146 318 I CA 0.528 61.837 61.300 0.015 0.000 1.425 318 I CB 0.660 38.659 38.000 -0.002 0.000 1.383 318 I HN 0.770 nan 8.210 nan 0.000 0.562 319 S N 3.430 119.148 115.700 0.030 0.000 2.757 319 S HA 0.238 4.709 4.470 0.001 0.000 0.285 319 S C 0.255 174.873 174.600 0.029 0.000 1.196 319 S CA -0.765 57.451 58.200 0.027 0.000 0.856 319 S CB 1.185 64.404 63.200 0.032 0.000 1.212 319 S HN 0.718 nan 8.310 nan 0.000 0.516 320 E N -0.054 120.161 120.200 0.025 0.000 2.511 320 E HA 0.073 4.423 4.350 0.001 0.000 0.196 320 E C -0.696 175.922 176.600 0.029 0.000 1.066 320 E CA 0.106 56.520 56.400 0.023 0.000 0.871 320 E CB -0.382 29.328 29.700 0.016 0.000 0.863 320 E HN 0.486 nan 8.360 nan 0.000 0.520 321 D N 2.178 122.602 120.400 0.040 0.000 2.339 321 D HA 0.114 4.754 4.640 0.001 0.000 0.245 321 D C -0.051 176.287 176.300 0.062 0.000 1.115 321 D CA -0.036 53.992 54.000 0.047 0.000 0.917 321 D CB 0.823 41.657 40.800 0.057 0.000 1.192 321 D HN 0.109 nan 8.370 nan 0.000 0.428 322 E N 0.158 120.390 120.200 0.053 0.000 2.319 322 E HA 0.211 4.561 4.350 0.001 0.000 0.268 322 E C -0.836 175.825 176.600 0.101 0.000 1.050 322 E CA -0.494 55.944 56.400 0.064 0.000 0.878 322 E CB 1.224 30.938 29.700 0.024 0.000 1.066 322 E HN 0.365 nan 8.360 nan 0.000 0.406 323 Y N 0.736 121.034 120.300 -0.003 0.000 2.393 323 Y HA 0.157 4.707 4.550 0.001 0.000 0.341 323 Y C -0.538 175.341 175.900 -0.036 0.000 0.988 323 Y CA -0.803 57.283 58.100 -0.023 0.000 1.078 323 Y CB 1.527 39.968 38.460 -0.031 0.000 1.203 323 Y HN 0.457 nan 8.280 nan 0.000 0.453 324 E N 7.040 126.722 120.200 -0.862 0.000 1.963 324 E HA 0.295 4.645 4.350 0.001 0.000 0.274 324 E C -0.725 175.559 176.600 -0.527 0.000 1.061 324 E CA -0.321 55.767 56.400 -0.520 0.000 0.847 324 E CB 0.134 29.598 29.700 -0.393 0.000 1.083 324 E HN 0.640 nan 8.360 nan 0.000 0.402 325 I N 3.173 123.671 120.570 -0.120 0.000 2.710 325 I HA 0.143 4.313 4.170 0.001 0.000 0.286 325 I C 0.415 176.400 176.117 -0.221 0.000 1.181 325 I CA 0.281 61.584 61.300 0.005 0.000 1.430 325 I CB 0.715 38.824 38.000 0.181 0.000 1.367 325 I HN 0.487 nan 8.210 nan 0.000 0.577 326 A N 4.195 126.696 122.820 -0.532 0.000 2.606 326 A HA 0.947 5.267 4.320 0.001 0.000 0.293 326 A C -0.346 176.357 177.584 -1.469 0.000 1.082 326 A CA 0.070 51.498 52.037 -1.016 0.000 0.685 326 A CB 1.816 20.509 19.000 -0.512 0.000 1.284 326 A HN 0.907 nan 8.150 nan 0.000 0.408 327 G N -0.928 106.755 108.800 -1.861 0.000 2.435 327 G HA2 0.719 4.679 3.960 0.001 0.000 0.296 327 G HA3 0.719 4.679 3.960 0.001 0.000 0.296 327 G C -1.207 173.279 174.900 -0.690 0.000 1.240 327 G CA 0.224 44.620 45.100 -1.175 0.000 0.872 327 G HN 1.901 nan 8.290 nan 0.000 0.480 328 F N -1.249 118.577 119.950 -0.207 0.000 2.640 328 F HA 0.957 5.484 4.527 0.001 0.000 0.324 328 F C 0.095 176.003 175.800 0.179 0.000 1.077 328 F CA -1.070 56.808 58.000 -0.203 0.000 0.965 328 F CB 1.698 40.351 39.000 -0.578 0.000 1.351 328 F HN 1.046 nan 8.300 nan 0.000 0.487 329 G N 0.025 109.079 108.800 0.424 0.000 2.696 329 G HA2 0.627 4.588 3.960 0.001 0.000 0.295 329 G HA3 0.627 4.588 3.960 0.001 0.000 0.295 329 G C -2.468 172.668 174.900 0.393 0.000 1.398 329 G CA -0.805 44.452 45.100 0.262 0.000 0.920 329 G HN 1.174 nan 8.290 nan 0.000 0.492 330 Y N -0.777 119.702 120.300 0.299 0.000 2.655 330 Y HA 0.853 5.403 4.550 0.000 0.000 0.336 330 Y C -0.965 175.031 175.900 0.159 0.000 1.154 330 Y CA -1.787 56.457 58.100 0.241 0.000 1.055 330 Y CB 1.887 40.481 38.460 0.224 0.000 1.295 330 Y HN 0.691 nan 8.280 nan 0.000 0.465 331 N N -1.066 117.876 118.700 0.403 0.000 2.823 331 N HA 0.599 5.340 4.740 0.001 0.000 0.251 331 N C -1.025 174.605 175.510 0.201 0.000 1.392 331 N CA -0.041 53.155 53.050 0.243 0.000 0.864 331 N CB 2.223 40.800 38.487 0.150 0.000 1.481 331 N HN 1.260 nan 8.380 nan 0.000 0.508 332 G N -1.419 107.464 108.800 0.139 0.000 2.511 332 G HA2 0.496 4.456 3.960 0.001 0.000 0.316 332 G HA3 0.496 4.456 3.960 0.001 0.000 0.316 332 G C 0.629 175.542 174.900 0.022 0.000 1.210 332 G CA -0.045 45.107 45.100 0.087 0.000 0.969 332 G HN 1.353 nan 8.290 nan 0.000 0.492 333 G N -1.598 107.175 108.800 -0.044 0.000 2.166 333 G HA2 0.173 4.134 3.960 0.001 0.000 0.260 333 G HA3 0.173 4.134 3.960 0.001 0.000 0.260 333 G C 1.483 176.301 174.900 -0.138 0.000 0.986 333 G CA 1.191 46.197 45.100 -0.157 0.000 0.683 333 G HN 2.581 nan 8.290 nan 0.000 0.527 334 G N -2.592 106.168 108.800 -0.067 0.000 2.148 334 G HA2 -0.030 3.931 3.960 0.001 0.000 0.254 334 G HA3 -0.030 3.931 3.960 0.001 0.000 0.254 334 G C 0.390 175.279 174.900 -0.019 0.000 0.981 334 G CA 0.644 45.719 45.100 -0.042 0.000 0.670 334 G HN 1.672 nan 8.290 nan 0.000 0.528 335 V N 1.290 121.202 119.914 -0.004 0.000 2.461 335 V HA 0.391 4.512 4.120 0.001 0.000 0.275 335 V C 1.236 177.355 176.094 0.041 0.000 1.047 335 V CA -0.606 61.697 62.300 0.005 0.000 0.955 335 V CB 1.373 33.198 31.823 0.003 0.000 0.988 335 V HN 0.501 nan 8.190 nan 0.000 0.471 336 R N 4.290 124.806 120.500 0.026 0.000 2.590 336 R HA 0.289 4.630 4.340 0.001 0.000 0.274 336 R C -0.364 175.993 176.300 0.095 0.000 1.061 336 R CA -0.385 55.748 56.100 0.055 0.000 1.081 336 R CB 0.374 30.648 30.300 -0.043 0.000 0.984 336 R HN 0.660 nan 8.270 nan 0.000 0.448 337 I N 4.118 124.799 120.570 0.185 0.000 2.436 337 I HA 0.037 4.207 4.170 0.001 0.000 0.289 337 I C 1.423 177.654 176.117 0.189 0.000 1.083 337 I CA 0.267 61.660 61.300 0.155 0.000 1.372 337 I CB 1.482 39.572 38.000 0.149 0.000 1.408 337 I HN 0.898 nan 8.210 nan 0.000 0.516 338 G N 7.047 115.902 108.800 0.092 0.000 2.595 338 G HA2 0.051 4.012 3.960 0.001 0.000 0.213 338 G HA3 0.051 4.012 3.960 0.001 0.000 0.213 338 G C 0.553 175.494 174.900 0.067 0.000 1.141 338 G CA -0.076 45.074 45.100 0.084 0.000 0.806 338 G HN 0.670 nan 8.290 nan 0.000 0.530 339 R N -0.899 119.604 120.500 0.005 0.000 2.604 339 R HA 0.627 4.967 4.340 0.001 0.000 0.270 339 R C -2.065 174.152 176.300 -0.138 0.000 1.052 339 R CA -0.866 55.202 56.100 -0.053 0.000 0.902 339 R CB 0.932 31.185 30.300 -0.079 0.000 1.233 339 R HN -0.001 nan 8.270 nan 0.000 0.455 340 I N 1.943 122.398 120.570 -0.192 0.000 2.466 340 I HA 0.360 4.530 4.170 0.001 0.000 0.289 340 I C -0.549 175.357 176.117 -0.351 0.000 1.026 340 I CA -0.738 60.345 61.300 -0.361 0.000 1.078 340 I CB 2.346 40.033 38.000 -0.522 0.000 1.249 340 I HN 0.623 nan 8.210 nan 0.000 0.429 341 E N 5.144 125.119 120.200 -0.374 0.000 2.266 341 E HA 0.654 5.005 4.350 0.001 0.000 0.268 341 E C -1.432 175.136 176.600 -0.054 0.000 0.879 341 E CA -0.807 55.484 56.400 -0.182 0.000 0.762 341 E CB 3.465 33.020 29.700 -0.243 0.000 1.199 341 E HN 0.192 nan 8.360 nan 0.000 0.422 342 V N 1.617 121.573 119.914 0.071 0.000 2.588 342 V HA 0.417 4.538 4.120 0.001 0.000 0.304 342 V C -0.527 175.489 176.094 -0.129 0.000 1.042 342 V CA -0.604 61.683 62.300 -0.022 0.000 0.877 342 V CB 1.949 33.723 31.823 -0.081 0.000 0.996 342 V HN 0.609 nan 8.190 nan 0.000 0.425 343 S N 3.754 119.168 115.700 -0.477 0.000 2.482 343 S HA 0.660 5.131 4.470 0.001 0.000 0.303 343 S C 0.182 174.507 174.600 -0.458 0.000 1.091 343 S CA -0.622 57.107 58.200 -0.784 0.000 1.057 343 S CB 1.312 63.502 63.200 -1.685 0.000 1.031 343 S HN 0.630 nan 8.310 nan 0.000 0.485 344 L N 2.960 123.979 121.223 -0.340 0.000 2.693 344 L HA 0.335 4.676 4.340 0.001 0.000 0.235 344 L C 0.165 176.903 176.870 -0.220 0.000 1.127 344 L CA 0.050 54.754 54.840 -0.228 0.000 0.914 344 L CB 0.038 42.014 42.059 -0.138 0.000 1.193 344 L HN 0.668 nan 8.230 nan 0.000 0.502 345 D N -1.297 118.939 120.400 -0.273 0.000 2.720 345 D HA 0.082 4.722 4.640 0.001 0.000 0.285 345 D C 0.233 176.431 176.300 -0.171 0.000 1.359 345 D CA -0.495 53.388 54.000 -0.196 0.000 0.818 345 D CB 0.150 40.852 40.800 -0.163 0.000 1.108 345 D HN -0.054 nan 8.370 nan 0.000 0.474 346 K N -0.139 120.148 120.400 -0.188 0.000 3.192 346 K HA -0.106 4.214 4.320 0.001 0.000 0.278 346 K C 0.945 177.602 176.600 0.095 0.000 1.164 346 K CA 0.483 56.780 56.287 0.018 0.000 0.816 346 K CB -1.785 30.813 32.500 0.164 0.000 1.256 346 K HN 0.617 nan 8.250 nan 0.000 0.497 347 G N -0.258 108.386 108.800 -0.260 0.000 2.175 347 G HA2 -0.305 3.656 3.960 0.001 0.000 0.244 347 G HA3 -0.305 3.656 3.960 0.001 0.000 0.244 347 G C 0.809 175.650 174.900 -0.098 0.000 0.982 347 G CA 0.428 45.398 45.100 -0.218 0.000 0.641 347 G HN 0.184 nan 8.290 nan 0.000 0.527 348 K N 0.478 120.785 120.400 -0.155 0.000 2.062 348 K HA 0.099 4.419 4.320 0.001 0.000 0.205 348 K C 1.548 178.089 176.600 -0.098 0.000 1.051 348 K CA 1.585 57.836 56.287 -0.061 0.000 0.941 348 K CB -0.151 32.319 32.500 -0.050 0.000 0.719 348 K HN 0.959 nan 8.250 nan 0.000 0.440 349 S N -1.079 114.451 115.700 -0.283 0.000 2.599 349 S HA 0.604 5.075 4.470 0.001 0.000 0.287 349 S C -1.430 172.858 174.600 -0.521 0.000 1.105 349 S CA -1.032 57.038 58.200 -0.217 0.000 0.899 349 S CB 1.369 64.501 63.200 -0.112 0.000 1.100 349 S HN 0.211 nan 8.310 nan 0.000 0.482 350 W N 0.566 121.814 121.300 -0.086 0.000 2.936 350 W HA 0.612 5.273 4.660 0.001 0.000 0.338 350 W C -0.506 175.951 176.519 -0.103 0.000 1.121 350 W CA -0.667 56.601 57.345 -0.128 0.000 1.209 350 W CB 2.046 31.410 29.460 -0.161 0.000 1.420 350 W HN 0.581 nan 8.180 nan 0.000 0.516 351 K N 2.332 122.797 120.400 0.108 0.000 2.270 351 K HA 0.544 4.864 4.320 0.001 0.000 0.255 351 K C -1.238 175.383 176.600 0.036 0.000 0.936 351 K CA -1.269 55.044 56.287 0.045 0.000 0.809 351 K CB 2.278 34.781 32.500 0.004 0.000 1.131 351 K HN 0.232 nan 8.250 nan 0.000 0.427 352 L N 2.903 124.138 121.223 0.019 0.000 2.315 352 L HA 0.264 4.604 4.340 0.001 0.000 0.283 352 L C -0.269 176.601 176.870 0.000 0.000 1.089 352 L CA 0.288 55.125 54.840 -0.006 0.000 0.833 352 L CB 0.499 42.558 42.059 -0.001 0.000 1.170 352 L HN 0.811 nan 8.230 nan 0.000 0.442 353 A N 3.814 126.619 122.820 -0.025 0.000 2.332 353 A HA 0.384 4.704 4.320 0.001 0.000 0.258 353 A C -0.383 177.236 177.584 0.058 0.000 1.087 353 A CA -0.595 51.468 52.037 0.044 0.000 0.802 353 A CB 0.102 19.131 19.000 0.048 0.000 1.042 353 A HN 0.701 nan 8.150 nan 0.000 0.489 354 D N 0.769 121.227 120.400 0.097 0.000 2.277 354 D HA 0.461 5.101 4.640 0.001 0.000 0.249 354 D C -0.378 175.967 176.300 0.074 0.000 1.134 354 D CA 0.546 54.587 54.000 0.068 0.000 0.863 354 D CB 0.915 41.747 40.800 0.053 0.000 1.143 354 D HN 0.356 nan 8.370 nan 0.000 0.458 355 I N 1.590 122.160 120.570 0.000 0.000 2.377 355 I HA 0.185 4.355 4.170 0.001 0.000 0.293 355 I C 0.051 176.028 176.117 -0.233 0.000 0.987 355 I CA -0.849 60.364 61.300 -0.145 0.000 1.185 355 I CB 1.647 39.425 38.000 -0.370 0.000 1.341 355 I HN 0.113 nan 8.210 nan 0.000 0.455 356 D N 5.302 125.579 120.400 -0.205 0.000 2.256 356 D HA 0.319 4.960 4.640 0.001 0.000 0.240 356 D C -1.420 174.766 176.300 -0.191 0.000 1.062 356 D CA -0.230 53.694 54.000 -0.128 0.000 0.832 356 D CB 0.781 41.558 40.800 -0.038 0.000 1.135 356 D HN 0.232 nan 8.370 nan 0.000 0.484 357 Y N 3.985 124.318 120.300 0.055 0.000 2.842 357 Y HA 0.304 4.855 4.550 0.001 0.000 0.334 357 Y C -1.639 174.229 175.900 -0.054 0.000 1.019 357 Y CA -2.032 56.102 58.100 0.057 0.000 1.258 357 Y CB 1.745 40.247 38.460 0.070 0.000 1.106 357 Y HN 0.375 nan 8.280 nan 0.000 0.545 358 P HA -0.205 nan 4.420 nan 0.000 0.219 358 P C 1.464 178.564 177.300 -0.335 0.000 1.146 358 P CA 1.299 64.142 63.100 -0.429 0.000 0.808 358 P CB 0.426 31.485 31.700 -1.069 0.000 0.779 359 E N -0.110 119.972 120.200 -0.196 0.000 2.209 359 E HA -0.218 4.132 4.350 0.001 0.000 0.196 359 E C 1.071 177.798 176.600 0.212 0.000 0.993 359 E CA 1.015 57.510 56.400 0.159 0.000 0.819 359 E CB -0.291 29.588 29.700 0.298 0.000 0.745 359 E HN 0.176 nan 8.360 nan 0.000 0.477 360 D N 0.014 120.497 120.400 0.137 0.000 2.219 360 D HA -0.117 4.523 4.640 0.001 0.000 0.205 360 D C 1.844 178.193 176.300 0.080 0.000 0.970 360 D CA 0.462 54.518 54.000 0.095 0.000 0.851 360 D CB -0.007 40.828 40.800 0.057 0.000 0.943 360 D HN 0.129 nan 8.370 nan 0.000 0.488 361 R N 0.100 120.634 120.500 0.057 0.000 2.075 361 R HA -0.113 4.227 4.340 0.001 0.000 0.232 361 R C 2.164 178.453 176.300 -0.019 0.000 1.126 361 R CA 0.735 56.812 56.100 -0.038 0.000 0.963 361 R CB -1.073 29.133 30.300 -0.157 0.000 0.858 361 R HN 0.388 nan 8.270 nan 0.000 0.435 362 Y N 0.758 121.097 120.300 0.065 0.000 2.242 362 Y HA -0.062 4.488 4.550 0.000 0.000 0.291 362 Y C 2.682 178.677 175.900 0.159 0.000 1.137 362 Y CA 1.117 59.331 58.100 0.192 0.000 1.181 362 Y CB -0.357 38.241 38.460 0.230 0.000 0.989 362 Y HN 0.001 nan 8.280 nan 0.000 0.527 363 R N 0.710 121.357 120.500 0.245 0.000 2.081 363 R HA -0.185 4.156 4.340 0.001 0.000 0.235 363 R C 1.675 178.014 176.300 0.065 0.000 1.131 363 R CA 1.862 58.038 56.100 0.127 0.000 0.960 363 R CB -0.130 30.218 30.300 0.080 0.000 0.856 363 R HN 0.418 nan 8.270 nan 0.000 0.436 364 E N -0.614 119.613 120.200 0.044 0.000 2.358 364 E HA -0.060 4.290 4.350 0.001 0.000 0.195 364 E C 1.438 178.028 176.600 -0.016 0.000 1.010 364 E CA 0.650 57.048 56.400 -0.003 0.000 0.856 364 E CB 0.186 29.873 29.700 -0.021 0.000 0.795 364 E HN 0.377 nan 8.360 nan 0.000 0.504 365 A N 1.058 123.887 122.820 0.014 0.000 2.206 365 A HA 0.252 4.573 4.320 0.001 0.000 0.211 365 A C 1.355 178.969 177.584 0.049 0.000 1.158 365 A CA 0.808 52.832 52.037 -0.022 0.000 0.761 365 A CB -0.637 18.282 19.000 -0.136 0.000 0.801 365 A HN 0.298 nan 8.150 nan 0.000 0.473 366 G N -1.221 107.597 108.800 0.031 0.000 2.569 366 G HA2 -0.286 3.674 3.960 0.001 0.000 0.259 366 G HA3 -0.286 3.674 3.960 0.001 0.000 0.259 366 G C -0.154 174.791 174.900 0.074 0.000 1.263 366 G CA 0.173 45.227 45.100 -0.075 0.000 0.928 366 G HN 0.538 nan 8.290 nan 0.000 0.572 367 Y N 0.560 120.973 120.300 0.189 0.000 2.304 367 Y HA 0.558 5.108 4.550 0.000 0.000 0.328 367 Y C 0.910 176.984 175.900 0.290 0.000 1.123 367 Y CA 0.328 58.526 58.100 0.164 0.000 1.218 367 Y CB 0.831 39.341 38.460 0.083 0.000 1.207 367 Y HN 0.738 nan 8.280 nan 0.000 0.495 368 F N -0.386 119.677 119.950 0.188 0.000 2.713 368 F HA 0.724 5.251 4.527 0.000 0.000 0.311 368 F C -1.637 174.192 175.800 0.048 0.000 1.141 368 F CA -1.737 56.312 58.000 0.081 0.000 0.939 368 F CB 1.431 40.451 39.000 0.034 0.000 1.325 368 F HN 0.207 nan 8.300 nan 0.000 0.453 369 R N 1.800 122.337 120.500 0.061 0.000 2.589 369 R HA 0.805 5.145 4.340 0.001 0.000 0.293 369 R C -1.597 174.643 176.300 -0.099 0.000 0.963 369 R CA -0.999 55.048 56.100 -0.088 0.000 0.905 369 R CB 2.270 32.543 30.300 -0.044 0.000 1.144 369 R HN 0.682 nan 8.270 nan 0.000 0.459 370 L N 3.410 124.490 121.223 -0.238 0.000 2.410 370 L HA 0.438 4.778 4.340 0.001 0.000 0.270 370 L C -0.304 176.313 176.870 -0.422 0.000 0.983 370 L CA -0.762 53.788 54.840 -0.484 0.000 0.822 370 L CB 1.515 43.189 42.059 -0.643 0.000 1.285 370 L HN 0.753 nan 8.230 nan 0.000 0.409 371 F N 1.729 121.663 119.950 -0.026 0.000 3.100 371 F HA -0.272 4.255 4.527 0.001 0.000 0.283 371 F C 1.456 177.218 175.800 -0.063 0.000 0.900 371 F CA 0.576 58.537 58.000 -0.066 0.000 1.010 371 F CB -1.868 37.056 39.000 -0.125 0.000 1.029 371 F HN 0.902 nan 8.300 nan 0.000 0.637 372 G N -0.785 108.052 108.800 0.061 0.000 2.162 372 G HA2 -0.031 3.929 3.960 0.001 0.000 0.260 372 G HA3 -0.031 3.929 3.960 0.001 0.000 0.260 372 G C 0.374 175.274 174.900 0.000 0.000 0.976 372 G CA 0.105 45.227 45.100 0.037 0.000 0.655 372 G HN 1.451 nan 8.290 nan 0.000 0.533 373 G N -0.860 107.925 108.800 -0.025 0.000 2.448 373 G HA2 0.708 4.668 3.960 0.001 0.000 0.324 373 G HA3 0.708 4.668 3.960 0.001 0.000 0.324 373 G C -0.427 174.396 174.900 -0.128 0.000 1.203 373 G CA -0.638 44.419 45.100 -0.072 0.000 0.954 373 G HN 0.927 nan 8.290 nan 0.000 0.480 374 L N 2.349 123.456 121.223 -0.193 0.000 2.410 374 L HA 0.399 4.739 4.340 0.001 0.000 0.273 374 L C 0.075 176.899 176.870 -0.077 0.000 1.144 374 L CA -0.058 54.677 54.840 -0.176 0.000 0.863 374 L CB 1.120 43.015 42.059 -0.273 0.000 1.140 374 L HN 0.194 nan 8.230 nan 0.000 0.463 375 V N 6.382 126.164 119.914 -0.221 0.000 2.385 375 V HA 0.305 4.425 4.120 0.001 0.000 0.269 375 V C 0.339 176.430 176.094 -0.006 0.000 1.043 375 V CA -0.337 61.812 62.300 -0.250 0.000 0.906 375 V CB 0.709 32.027 31.823 -0.842 0.000 0.995 375 V HN 0.952 nan 8.190 nan 0.000 0.467 376 N N 4.366 123.156 118.700 0.150 0.000 2.517 376 N HA 0.040 4.780 4.740 0.001 0.000 0.285 376 N C 0.606 176.204 175.510 0.148 0.000 1.528 376 N CA -0.280 52.929 53.050 0.264 0.000 0.892 376 N CB 0.764 39.500 38.487 0.415 0.000 1.356 376 N HN 0.283 nan 8.380 nan 0.000 0.495 377 V N 0.789 120.771 119.914 0.112 0.000 2.453 377 V HA -0.340 3.780 4.120 0.001 0.000 0.252 377 V C 2.754 178.890 176.094 0.071 0.000 1.068 377 V CA 2.118 64.478 62.300 0.099 0.000 1.070 377 V CB -1.219 30.695 31.823 0.153 0.000 0.664 377 V HN 0.794 nan 8.190 nan 0.000 0.461 378 C N -0.330 118.998 119.300 0.046 0.000 2.409 378 C HA -0.148 4.312 4.460 0.001 0.000 0.284 378 C C 2.003 176.967 174.990 -0.044 0.000 1.354 378 C CA 0.592 59.588 59.018 -0.036 0.000 1.787 378 C CB -1.290 26.349 27.740 -0.169 0.000 1.900 378 C HN 0.533 nan 8.230 nan 0.000 0.520 379 D N 0.529 120.938 120.400 0.015 0.000 2.347 379 D HA 0.095 4.736 4.640 0.001 0.000 0.213 379 D C 1.126 177.441 176.300 0.025 0.000 0.985 379 D CA 0.662 54.690 54.000 0.047 0.000 0.879 379 D CB 0.001 40.880 40.800 0.131 0.000 0.919 379 D HN 0.676 nan 8.370 nan 0.000 0.526 380 R N -0.436 120.074 120.500 0.016 0.000 2.832 380 R HA 0.528 4.869 4.340 0.001 0.000 0.271 380 R C 0.895 177.191 176.300 -0.006 0.000 0.996 380 R CA -0.475 55.626 56.100 0.001 0.000 0.977 380 R CB 1.678 31.977 30.300 -0.001 0.000 1.168 380 R HN -0.105 nan 8.270 nan 0.000 0.482 381 M N 0.213 119.802 119.600 -0.018 0.000 2.421 381 M HA 0.076 4.556 4.480 0.001 0.000 0.258 381 M C 0.396 176.678 176.300 -0.029 0.000 1.122 381 M CA 0.105 55.389 55.300 -0.027 0.000 1.078 381 M CB 0.750 33.331 32.600 -0.033 0.000 1.380 381 M HN 0.637 nan 8.290 nan 0.000 0.499 382 S N 0.167 115.851 115.700 -0.027 0.000 2.576 382 S HA 0.138 4.608 4.470 0.001 0.000 0.272 382 S C -0.054 174.549 174.600 0.005 0.000 1.352 382 S CA -0.666 57.519 58.200 -0.025 0.000 1.021 382 S CB 0.585 63.760 63.200 -0.041 0.000 0.887 382 S HN 0.353 nan 8.310 nan 0.000 0.542 383 C N 3.190 122.503 119.300 0.023 0.000 2.239 383 C HA 0.435 4.895 4.460 0.001 0.000 0.323 383 C C 1.183 176.232 174.990 0.098 0.000 1.205 383 C CA -0.723 58.344 59.018 0.082 0.000 1.584 383 C CB -1.225 26.577 27.740 0.104 0.000 2.201 383 C HN 0.909 nan 8.230 nan 0.000 0.475 384 L N 1.252 122.539 121.223 0.106 0.000 2.640 384 L HA 0.239 4.579 4.340 0.001 0.000 0.230 384 L C 0.349 177.285 176.870 0.110 0.000 1.123 384 L CA 0.423 55.308 54.840 0.075 0.000 0.900 384 L CB -0.173 41.906 42.059 0.033 0.000 1.146 384 L HN 0.605 nan 8.230 nan 0.000 0.484 385 C N -0.541 118.893 119.300 0.224 0.000 2.971 385 C HA 0.517 4.977 4.460 0.001 0.000 0.310 385 C C -0.086 175.203 174.990 0.498 0.000 1.285 385 C CA -1.264 57.945 59.018 0.318 0.000 1.593 385 C CB 1.462 29.529 27.740 0.545 0.000 2.076 385 C HN 0.438 nan 8.230 nan 0.000 0.472 386 W N 1.216 122.632 121.300 0.193 0.000 2.034 386 W HA 0.530 5.191 4.660 0.000 0.000 0.357 386 W C 0.061 176.738 176.519 0.262 0.000 1.326 386 W CA -1.207 56.253 57.345 0.192 0.000 1.318 386 W CB -1.186 28.281 29.460 0.012 0.000 1.193 386 W HN 0.901 nan 8.180 nan 0.000 0.620 387 C N -0.110 119.324 119.300 0.223 0.000 2.913 387 C HA 0.866 5.326 4.460 0.001 0.000 0.322 387 C C -0.816 173.981 174.990 -0.323 0.000 1.292 387 C CA -1.394 57.633 59.018 0.015 0.000 1.649 387 C CB 0.855 28.580 27.740 -0.026 0.000 2.139 387 C HN 0.552 nan 8.230 nan 0.000 0.475 388 F N 1.544 121.438 119.950 -0.093 0.000 2.522 388 F HA 0.808 5.335 4.527 0.000 0.000 0.324 388 F C 0.086 175.889 175.800 0.005 0.000 1.077 388 F CA -0.273 57.677 58.000 -0.083 0.000 0.944 388 F CB 1.463 40.335 39.000 -0.214 0.000 1.175 388 F HN 0.895 nan 8.300 nan 0.000 0.468 389 W N 1.425 122.780 121.300 0.092 0.000 3.033 389 W HA 0.801 5.461 4.660 0.000 0.000 0.336 389 W C -2.077 174.460 176.519 0.030 0.000 1.173 389 W CA -1.206 56.141 57.345 0.002 0.000 1.185 389 W CB 1.536 30.959 29.460 -0.060 0.000 1.425 389 W HN 0.432 nan 8.180 nan 0.000 0.536 390 K N 1.758 122.320 120.400 0.270 0.000 2.502 390 K HA 0.669 4.990 4.320 0.001 0.000 0.257 390 K C -1.987 174.741 176.600 0.215 0.000 0.938 390 K CA -0.977 55.376 56.287 0.109 0.000 0.819 390 K CB 2.959 35.461 32.500 0.004 0.000 1.333 390 K HN 0.377 nan 8.250 nan 0.000 0.434 391 L N 1.992 123.312 121.223 0.162 0.000 2.580 391 L HA 0.365 4.705 4.340 0.001 0.000 0.266 391 L C -1.622 175.280 176.870 0.053 0.000 0.955 391 L CA -0.351 54.566 54.840 0.129 0.000 0.886 391 L CB 1.614 43.783 42.059 0.183 0.000 1.263 391 L HN 0.451 nan 8.230 nan 0.000 0.406 392 K N 4.043 124.453 120.400 0.016 0.000 2.276 392 K HA 0.681 5.001 4.320 0.001 0.000 0.283 392 K C -0.687 175.929 176.600 0.027 0.000 1.044 392 K CA -0.401 55.883 56.287 -0.004 0.000 0.944 392 K CB 1.385 33.872 32.500 -0.020 0.000 1.012 392 K HN 0.514 nan 8.250 nan 0.000 0.472 393 V N 0.787 120.731 119.914 0.050 0.000 2.876 393 V HA 0.539 4.659 4.120 0.001 0.000 0.312 393 V C -2.807 173.328 176.094 0.069 0.000 1.085 393 V CA -3.212 59.122 62.300 0.056 0.000 0.945 393 V CB 1.702 33.562 31.823 0.062 0.000 1.017 393 V HN 0.527 nan 8.190 nan 0.000 0.428 394 P HA 0.191 nan 4.420 nan 0.000 0.268 394 P C 0.655 177.995 177.300 0.066 0.000 1.204 394 P CA -0.177 62.953 63.100 0.051 0.000 0.768 394 P CB 0.615 32.333 31.700 0.030 0.000 0.842 395 L N 3.091 124.362 121.223 0.080 0.000 2.187 395 L HA -0.176 4.165 4.340 0.001 0.000 0.213 395 L C 2.260 179.158 176.870 0.046 0.000 1.100 395 L CA 2.144 57.033 54.840 0.081 0.000 0.765 395 L CB -1.936 40.173 42.059 0.083 0.000 0.904 395 L HN 0.420 nan 8.230 nan 0.000 0.437 396 S N -1.480 114.238 115.700 0.031 0.000 2.383 396 S HA -0.225 4.245 4.470 0.001 0.000 0.227 396 S C 1.919 176.522 174.600 0.006 0.000 1.026 396 S CA 1.237 59.445 58.200 0.013 0.000 0.981 396 S CB -0.345 62.861 63.200 0.010 0.000 0.818 396 S HN 0.573 nan 8.310 nan 0.000 0.472 397 E N 1.026 121.233 120.200 0.011 0.000 2.046 397 E HA -0.023 4.328 4.350 0.001 0.000 0.190 397 E C 2.090 178.690 176.600 0.001 0.000 0.982 397 E CA 0.965 57.365 56.400 0.000 0.000 0.800 397 E CB -0.269 29.432 29.700 0.002 0.000 0.756 397 E HN 0.581 nan 8.360 nan 0.000 0.449 398 L N 0.495 121.735 121.223 0.028 0.000 2.079 398 L HA -0.188 4.153 4.340 0.001 0.000 0.210 398 L C 2.550 179.421 176.870 0.002 0.000 1.081 398 L CA 1.112 55.979 54.840 0.045 0.000 0.752 398 L CB -0.388 41.746 42.059 0.124 0.000 0.896 398 L HN 0.238 nan 8.230 nan 0.000 0.433 399 A N -0.340 122.475 122.820 -0.008 0.000 2.121 399 A HA -0.122 4.199 4.320 0.001 0.000 0.218 399 A C 2.186 179.742 177.584 -0.047 0.000 1.154 399 A CA 0.998 53.012 52.037 -0.038 0.000 0.679 399 A CB -0.334 18.649 19.000 -0.028 0.000 0.795 399 A HN 0.360 nan 8.150 nan 0.000 0.458 400 R N -0.229 120.248 120.500 -0.038 0.000 2.317 400 R HA 0.204 4.544 4.340 0.001 0.000 0.208 400 R C -0.312 175.954 176.300 -0.057 0.000 0.914 400 R CA 0.077 56.150 56.100 -0.044 0.000 1.060 400 R CB 0.250 30.529 30.300 -0.035 0.000 1.015 400 R HN 0.347 nan 8.270 nan 0.000 0.498 401 S N -0.110 115.552 115.700 -0.064 0.000 2.621 401 S HA 0.326 4.797 4.470 0.001 0.000 0.302 401 S C 0.485 175.022 174.600 -0.105 0.000 1.093 401 S CA -0.764 57.386 58.200 -0.083 0.000 1.017 401 S CB 2.316 65.470 63.200 -0.076 0.000 1.077 401 S HN 0.055 nan 8.310 nan 0.000 0.517 402 K N 0.303 120.625 120.400 -0.130 0.000 2.360 402 K HA 0.166 4.487 4.320 0.001 0.000 0.196 402 K C -0.888 175.581 176.600 -0.219 0.000 1.049 402 K CA 0.308 56.499 56.287 -0.159 0.000 1.049 402 K CB 0.244 32.657 32.500 -0.145 0.000 0.881 402 K HN 0.731 nan 8.250 nan 0.000 0.542 403 D N -0.663 119.600 120.400 -0.227 0.000 2.710 403 D HA 0.271 4.911 4.640 0.001 0.000 0.276 403 D C -0.933 175.228 176.300 -0.233 0.000 1.267 403 D CA -0.628 53.196 54.000 -0.293 0.000 0.772 403 D CB 0.800 41.279 40.800 -0.534 0.000 1.299 403 D HN -0.162 nan 8.370 nan 0.000 0.421 404 I N 0.068 120.510 120.570 -0.214 0.000 2.436 404 I HA 0.424 4.594 4.170 0.001 0.000 0.289 404 I C -0.780 175.212 176.117 -0.207 0.000 1.010 404 I CA -0.802 60.404 61.300 -0.156 0.000 1.098 404 I CB 1.515 39.489 38.000 -0.043 0.000 1.266 404 I HN 0.162 nan 8.210 nan 0.000 0.434 405 L N 6.798 127.886 121.223 -0.224 0.000 2.346 405 L HA 0.637 4.978 4.340 0.001 0.000 0.274 405 L C -0.628 176.200 176.870 -0.071 0.000 1.007 405 L CA -0.649 54.101 54.840 -0.150 0.000 0.818 405 L CB 2.586 44.554 42.059 -0.153 0.000 1.284 405 L HN 0.528 nan 8.230 nan 0.000 0.424 406 I N 3.138 123.693 120.570 -0.025 0.000 2.608 406 I HA 0.579 4.749 4.170 0.001 0.000 0.295 406 I C -1.153 174.827 176.117 -0.228 0.000 1.049 406 I CA -0.541 60.663 61.300 -0.160 0.000 1.063 406 I CB 1.952 39.771 38.000 -0.302 0.000 1.248 406 I HN 0.781 nan 8.210 nan 0.000 0.424 407 R N 4.972 125.222 120.500 -0.415 0.000 2.668 407 R HA 0.765 5.105 4.340 0.001 0.000 0.272 407 R C -1.334 174.711 176.300 -0.425 0.000 1.019 407 R CA -0.837 54.982 56.100 -0.468 0.000 0.894 407 R CB 1.754 31.500 30.300 -0.924 0.000 1.228 407 R HN 0.626 nan 8.270 nan 0.000 0.460 408 G N 1.707 110.341 108.800 -0.277 0.000 2.432 408 G HA2 0.598 4.558 3.960 0.001 0.000 0.331 408 G HA3 0.598 4.558 3.960 0.001 0.000 0.331 408 G C -1.208 173.594 174.900 -0.163 0.000 1.170 408 G CA -1.026 43.939 45.100 -0.225 0.000 0.943 408 G HN 0.590 nan 8.290 nan 0.000 0.483 409 M N 1.790 121.308 119.600 -0.138 0.000 2.326 409 M HA 0.348 4.828 4.480 0.001 0.000 0.306 409 M C -1.035 175.240 176.300 -0.041 0.000 1.054 409 M CA -0.889 54.358 55.300 -0.088 0.000 0.922 409 M CB 2.061 34.594 32.600 -0.112 0.000 1.632 409 M HN 0.718 nan 8.290 nan 0.000 0.436 410 D N 2.732 123.124 120.400 -0.015 0.000 2.511 410 D HA 0.135 4.775 4.640 0.001 0.000 0.276 410 D C 0.013 176.315 176.300 0.002 0.000 1.220 410 D CA -0.143 53.862 54.000 0.009 0.000 1.077 410 D CB 0.426 41.240 40.800 0.023 0.000 1.126 410 D HN 0.691 nan 8.370 nan 0.000 0.583 411 E N -1.457 118.747 120.200 0.006 0.000 2.502 411 E HA 0.043 4.393 4.350 0.001 0.000 0.194 411 E C 0.886 177.483 176.600 -0.006 0.000 1.062 411 E CA 0.056 56.453 56.400 -0.004 0.000 0.867 411 E CB 0.132 29.825 29.700 -0.011 0.000 0.888 411 E HN 0.272 nan 8.360 nan 0.000 0.510 412 R N 0.433 120.931 120.500 -0.003 0.000 2.427 412 R HA 0.159 4.500 4.340 0.001 0.000 0.262 412 R C 0.039 176.338 176.300 -0.002 0.000 0.943 412 R CA -0.116 55.983 56.100 -0.001 0.000 1.081 412 R CB 0.338 30.640 30.300 0.003 0.000 1.166 412 R HN 0.085 nan 8.270 nan 0.000 0.534 413 M N -0.203 119.392 119.600 -0.008 0.000 2.393 413 M HA -0.192 4.288 4.480 0.001 0.000 0.201 413 M C -0.757 175.538 176.300 -0.010 0.000 0.403 413 M CA 1.260 56.552 55.300 -0.014 0.000 0.471 413 M CB -1.740 30.852 32.600 -0.013 0.000 1.669 413 M HN 0.141 nan 8.290 nan 0.000 0.864 414 M N -0.221 119.377 119.600 -0.004 0.000 2.268 414 M HA 0.647 5.127 4.480 0.001 0.000 0.344 414 M C 0.021 176.321 176.300 -0.000 0.000 1.106 414 M CA -0.514 54.789 55.300 0.005 0.000 1.010 414 M CB 1.968 34.577 32.600 0.016 0.000 1.649 414 M HN 0.098 nan 8.290 nan 0.000 0.443 415 V N 3.863 123.782 119.914 0.009 0.000 2.919 415 V HA 0.390 4.510 4.120 0.001 0.000 0.316 415 V C -0.280 175.861 176.094 0.079 0.000 1.077 415 V CA -0.614 61.689 62.300 0.005 0.000 0.977 415 V CB 2.396 34.205 31.823 -0.024 0.000 1.039 415 V HN 0.883 nan 8.190 nan 0.000 0.441 416 Q N 5.251 125.123 119.800 0.118 0.000 2.392 416 Q HA 0.281 4.621 4.340 0.001 0.000 0.262 416 Q C -2.308 173.919 176.000 0.378 0.000 1.003 416 Q CA -1.215 54.732 55.803 0.240 0.000 0.888 416 Q CB 0.713 29.641 28.738 0.317 0.000 1.260 416 Q HN 0.554 nan 8.270 nan 0.000 0.435 417 P HA 0.094 nan 4.420 nan 0.000 0.281 417 P C -0.398 176.672 177.300 -0.383 0.000 1.249 417 P CA -0.276 62.861 63.100 0.061 0.000 0.810 417 P CB 1.170 32.913 31.700 0.071 0.000 1.008 418 R N 1.657 121.729 120.500 -0.714 0.000 2.092 418 R HA 0.003 4.343 4.340 0.001 0.000 0.231 418 R C 0.225 176.309 176.300 -0.359 0.000 1.119 418 R CA 1.689 57.033 56.100 -1.260 0.000 0.970 418 R CB -1.294 28.420 30.300 -0.976 0.000 0.864 418 R HN 0.421 nan 8.270 nan 0.000 0.440 419 T N 1.729 116.219 114.554 -0.107 0.000 2.780 419 T HA 0.202 4.552 4.350 0.001 0.000 0.294 419 T C 0.097 174.885 174.700 0.147 0.000 0.949 419 T CA -0.453 61.676 62.100 0.048 0.000 1.074 419 T CB 0.840 69.707 68.868 -0.003 0.000 0.910 419 T HN 0.237 nan 8.240 nan 0.000 0.501 420 M N 3.976 123.608 119.600 0.053 0.000 2.251 420 M HA 0.097 4.577 4.480 0.001 0.000 0.343 420 M C -0.913 175.351 176.300 -0.061 0.000 1.245 420 M CA 0.059 55.195 55.300 -0.273 0.000 1.061 420 M CB 0.180 32.273 32.600 -0.844 0.000 1.723 420 M HN 0.751 nan 8.290 nan 0.000 0.449 421 Y N 5.839 126.061 120.300 -0.129 0.000 2.931 421 Y HA 0.236 4.787 4.550 0.001 0.000 0.330 421 Y C -1.111 174.745 175.900 -0.073 0.000 1.115 421 Y CA -0.706 57.352 58.100 -0.071 0.000 1.283 421 Y CB 0.238 38.666 38.460 -0.052 0.000 1.215 421 Y HN 0.771 nan 8.280 nan 0.000 0.534 422 W N 6.824 127.936 121.300 -0.314 0.000 2.210 422 W HA 0.212 4.873 4.660 0.001 0.000 0.330 422 W C -0.589 175.770 176.519 -0.266 0.000 1.334 422 W CA 0.447 57.639 57.345 -0.254 0.000 1.227 422 W CB 0.373 29.678 29.460 -0.259 0.000 1.178 422 W HN 0.705 nan 8.180 nan 0.000 0.560 423 N N 1.886 120.146 118.700 -0.734 0.000 2.494 423 N HA 0.331 5.071 4.740 0.001 0.000 0.270 423 N C -0.430 174.526 175.510 -0.924 0.000 1.285 423 N CA -0.917 51.802 53.050 -0.550 0.000 0.812 423 N CB 1.454 39.815 38.487 -0.209 0.000 1.557 423 N HN 0.152 nan 8.380 nan 0.000 0.487 424 V N -0.172 119.464 119.914 -0.463 0.000 2.282 424 V HA -0.288 3.832 4.120 0.001 0.000 0.249 424 V C 2.202 178.182 176.094 -0.190 0.000 1.057 424 V CA 2.662 64.807 62.300 -0.259 0.000 1.032 424 V CB -1.050 30.732 31.823 -0.070 0.000 0.645 424 V HN 1.003 nan 8.190 nan 0.000 0.447 425 T N -3.699 110.790 114.554 -0.110 0.000 3.129 425 T HA 0.051 4.402 4.350 0.001 0.000 0.251 425 T C 0.839 175.480 174.700 -0.098 0.000 1.117 425 T CA 0.663 62.767 62.100 0.006 0.000 1.034 425 T CB 0.022 68.974 68.868 0.140 0.000 0.968 425 T HN 0.381 nan 8.240 nan 0.000 0.526 426 S N 1.086 116.591 115.700 -0.325 0.000 3.559 426 S HA -0.147 4.323 4.470 0.001 0.000 0.369 426 S C 0.050 174.574 174.600 -0.127 0.000 0.987 426 S CA 0.491 58.482 58.200 -0.349 0.000 1.187 426 S CB -1.933 61.093 63.200 -0.289 0.000 0.914 426 S HN 0.714 nan 8.310 nan 0.000 0.480 427 M N 0.090 119.639 119.600 -0.085 0.000 2.528 427 M HA 0.488 4.969 4.480 0.001 0.000 0.318 427 M C 0.652 176.951 176.300 -0.002 0.000 1.195 427 M CA -0.836 54.458 55.300 -0.011 0.000 1.000 427 M CB 0.723 33.334 32.600 0.018 0.000 1.615 427 M HN 0.055 nan 8.290 nan 0.000 0.469 428 L N 1.358 122.597 121.223 0.027 0.000 3.737 428 L HA -0.265 4.076 4.340 0.001 0.000 0.418 428 L C 0.252 177.166 176.870 0.073 0.000 1.216 428 L CA 0.685 55.558 54.840 0.055 0.000 0.915 428 L CB -2.169 39.914 42.059 0.040 0.000 1.834 428 L HN 0.821 nan 8.230 nan 0.000 0.943 429 N N 1.376 120.126 118.700 0.084 0.000 2.400 429 N HA -0.012 4.728 4.740 0.001 0.000 0.278 429 N C 0.913 176.569 175.510 0.242 0.000 1.247 429 N CA 0.620 53.740 53.050 0.116 0.000 0.970 429 N CB 0.258 38.796 38.487 0.085 0.000 1.312 429 N HN 0.538 nan 8.380 nan 0.000 0.488 430 N N 4.698 123.554 118.700 0.260 0.000 2.291 430 N HA -0.024 4.716 4.740 0.001 0.000 0.244 430 N C 0.159 175.916 175.510 0.412 0.000 1.216 430 N CA -0.678 52.550 53.050 0.296 0.000 0.879 430 N CB -0.293 38.295 38.487 0.168 0.000 1.167 430 N HN 0.398 nan 8.380 nan 0.000 0.515 431 W N 0.939 122.331 121.300 0.153 0.000 2.124 431 W HA 0.280 4.940 4.660 -0.000 0.000 0.356 431 W C -0.163 176.541 176.519 0.309 0.000 1.302 431 W CA -1.291 56.138 57.345 0.140 0.000 1.293 431 W CB -0.530 28.981 29.460 0.086 0.000 1.199 431 W HN -0.048 nan 8.180 nan 0.000 0.606 432 W N 2.226 123.549 121.300 0.038 0.000 2.347 432 W HA 0.034 4.694 4.660 0.000 0.000 0.333 432 W C -0.042 176.324 176.519 -0.255 0.000 1.383 432 W CA -1.119 56.191 57.345 -0.057 0.000 1.283 432 W CB -1.505 27.985 29.460 0.050 0.000 1.253 432 W HN 0.328 nan 8.180 nan 0.000 0.563 433 Y N 4.007 124.329 120.300 0.037 0.000 2.465 433 Y HA 0.149 4.700 4.550 0.001 0.000 0.331 433 Y C 0.630 176.497 175.900 -0.056 0.000 1.102 433 Y CA 0.149 58.240 58.100 -0.015 0.000 1.358 433 Y CB 0.326 38.796 38.460 0.017 0.000 1.213 433 Y HN 0.388 nan 8.280 nan 0.000 0.525 434 R N 4.765 125.062 120.500 -0.338 0.000 2.494 434 R HA 0.670 5.010 4.340 0.001 0.000 0.305 434 R C -2.133 174.025 176.300 -0.238 0.000 0.959 434 R CA -0.721 55.166 56.100 -0.354 0.000 0.864 434 R CB 1.256 31.145 30.300 -0.685 0.000 1.159 434 R HN 0.563 nan 8.270 nan 0.000 0.446 435 V N 4.062 123.835 119.914 -0.235 0.000 2.378 435 V HA 0.475 4.596 4.120 0.001 0.000 0.288 435 V C 0.160 176.157 176.094 -0.162 0.000 1.016 435 V CA -0.773 61.456 62.300 -0.118 0.000 0.840 435 V CB 1.283 33.042 31.823 -0.107 0.000 0.994 435 V HN 0.980 nan 8.190 nan 0.000 0.431 436 A N 6.372 129.097 122.820 -0.157 0.000 2.407 436 A HA 0.727 5.047 4.320 0.001 0.000 0.248 436 A C -0.335 177.196 177.584 -0.088 0.000 1.082 436 A CA -0.096 51.805 52.037 -0.227 0.000 0.785 436 A CB 0.183 19.051 19.000 -0.219 0.000 1.020 436 A HN 0.775 nan 8.150 nan 0.000 0.489 437 I N 2.754 123.220 120.570 -0.174 0.000 2.389 437 I HA 0.300 4.471 4.170 0.001 0.000 0.288 437 I C -0.842 175.114 176.117 -0.268 0.000 0.999 437 I CA -0.375 60.748 61.300 -0.294 0.000 1.129 437 I CB 1.519 39.382 38.000 -0.229 0.000 1.288 437 I HN 0.379 nan 8.210 nan 0.000 0.444 438 I N 5.676 126.056 120.570 -0.317 0.000 2.389 438 I HA 0.372 4.543 4.170 0.001 0.000 0.288 438 I C -0.026 175.956 176.117 -0.224 0.000 0.999 438 I CA -0.770 60.406 61.300 -0.207 0.000 1.129 438 I CB 1.455 39.368 38.000 -0.145 0.000 1.288 438 I HN 0.573 nan 8.210 nan 0.000 0.444 439 R N 5.398 125.800 120.500 -0.164 0.000 2.234 439 R HA 0.366 4.706 4.340 0.001 0.000 0.324 439 R C -0.699 175.539 176.300 -0.102 0.000 1.054 439 R CA 0.174 56.190 56.100 -0.140 0.000 0.912 439 R CB 0.537 30.772 30.300 -0.108 0.000 1.030 439 R HN 0.591 nan 8.270 nan 0.000 0.455 440 E N 3.834 123.977 120.200 -0.096 0.000 2.402 440 E HA 0.299 4.650 4.350 0.001 0.000 0.244 440 E C 0.187 176.756 176.600 -0.051 0.000 0.945 440 E CA -0.120 56.241 56.400 -0.066 0.000 0.774 440 E CB 1.457 31.119 29.700 -0.063 0.000 1.296 440 E HN 0.959 nan 8.360 nan 0.000 0.414 441 G N 3.407 112.183 108.800 -0.041 0.000 2.620 441 G HA2 -0.363 3.597 3.960 0.001 0.000 0.315 441 G HA3 -0.363 3.597 3.960 0.001 0.000 0.315 441 G C 0.544 175.424 174.900 -0.033 0.000 1.179 441 G CA 0.257 45.338 45.100 -0.032 0.000 0.971 441 G HN 0.522 nan 8.290 nan 0.000 0.544 442 E N 1.486 121.669 120.200 -0.027 0.000 2.499 442 E HA 0.480 4.830 4.350 0.001 0.000 0.199 442 E C 0.292 176.877 176.600 -0.026 0.000 1.016 442 E CA 0.458 56.844 56.400 -0.023 0.000 0.933 442 E CB 0.777 30.469 29.700 -0.013 0.000 1.050 442 E HN 0.331 nan 8.360 nan 0.000 0.462 443 S N -0.002 115.674 115.700 -0.041 0.000 2.632 443 S HA 0.653 5.123 4.470 0.001 0.000 0.289 443 S C -0.394 174.143 174.600 -0.104 0.000 1.115 443 S CA -0.676 57.494 58.200 -0.051 0.000 0.889 443 S CB 1.681 64.859 63.200 -0.036 0.000 1.116 443 S HN 0.050 nan 8.310 nan 0.000 0.486 444 L N 1.682 122.818 121.223 -0.146 0.000 2.346 444 L HA 0.640 4.980 4.340 0.001 0.000 0.276 444 L C -0.037 176.569 176.870 -0.440 0.000 1.006 444 L CA -0.631 54.005 54.840 -0.341 0.000 0.817 444 L CB 1.630 43.420 42.059 -0.448 0.000 1.272 444 L HN 0.462 nan 8.230 nan 0.000 0.421 445 R N 1.873 122.069 120.500 -0.506 0.000 2.589 445 R HA 0.660 5.001 4.340 0.001 0.000 0.293 445 R C -1.619 174.350 176.300 -0.552 0.000 0.963 445 R CA -0.486 55.394 56.100 -0.367 0.000 0.905 445 R CB 1.394 31.605 30.300 -0.148 0.000 1.144 445 R HN 0.352 nan 8.270 nan 0.000 0.459 446 F N 1.432 121.380 119.950 -0.004 0.000 2.508 446 F HA 0.393 4.920 4.527 0.001 0.000 0.325 446 F C -0.088 175.776 175.800 0.107 0.000 1.090 446 F CA -0.601 57.415 58.000 0.026 0.000 0.945 446 F CB 2.174 41.184 39.000 0.017 0.000 1.156 446 F HN 0.351 nan 8.300 nan 0.000 0.463 447 E N 1.782 122.165 120.200 0.306 0.000 2.218 447 E HA 0.248 4.598 4.350 0.001 0.000 0.263 447 E C -0.905 175.952 176.600 0.427 0.000 0.879 447 E CA -0.709 55.887 56.400 0.327 0.000 0.762 447 E CB 1.444 31.305 29.700 0.268 0.000 1.166 447 E HN 0.610 nan 8.360 nan 0.000 0.415 448 H N 2.494 121.692 119.070 0.213 0.000 2.671 448 H HA 0.017 4.573 4.556 0.000 0.000 0.372 448 H C -1.468 173.834 175.328 -0.043 0.000 1.227 448 H CA -1.699 54.440 56.048 0.152 0.000 1.426 448 H CB 0.733 30.599 29.762 0.174 0.000 1.480 448 H HN 0.353 nan 8.280 nan 0.000 0.611 449 P HA -0.134 nan 4.420 nan 0.000 0.215 449 P C 0.253 177.222 177.300 -0.553 0.000 1.157 449 P CA 1.382 63.905 63.100 -0.962 0.000 0.868 449 P CB 0.274 31.595 31.700 -0.633 0.000 0.788 450 V N -5.671 114.132 119.914 -0.185 0.000 3.114 450 V HA 0.625 4.745 4.120 0.001 0.000 0.308 450 V C -0.814 175.302 176.094 0.038 0.000 1.168 450 V CA -1.273 60.981 62.300 -0.076 0.000 1.015 450 V CB 2.379 34.172 31.823 -0.050 0.000 1.050 450 V HN -0.308 nan 8.190 nan 0.000 0.433 451 V N 1.894 121.821 119.914 0.022 0.000 2.459 451 V HA 0.784 4.904 4.120 0.001 0.000 0.295 451 V C 0.891 177.001 176.094 0.027 0.000 1.029 451 V CA -0.146 62.178 62.300 0.039 0.000 0.874 451 V CB 1.503 33.340 31.823 0.024 0.000 0.985 451 V HN 1.491 nan 8.190 nan 0.000 0.438 452 A N 3.927 126.779 122.820 0.052 0.000 2.561 452 A HA 0.255 4.575 4.320 0.001 0.000 0.251 452 A C 1.180 178.756 177.584 -0.013 0.000 1.062 452 A CA 0.932 52.984 52.037 0.025 0.000 0.761 452 A CB -0.856 18.196 19.000 0.087 0.000 0.986 452 A HN 1.440 nan 8.150 nan 0.000 0.510 453 N N -0.265 118.388 118.700 -0.078 0.000 2.863 453 N HA -0.181 4.560 4.740 0.001 0.000 0.245 453 N C -0.300 175.185 175.510 -0.042 0.000 1.001 453 N CA 2.327 55.330 53.050 -0.078 0.000 0.901 453 N CB -1.086 37.377 38.487 -0.039 0.000 1.124 453 N HN 0.874 nan 8.380 nan 0.000 0.582 454 K N -1.147 119.236 120.400 -0.030 0.000 2.555 454 K HA 0.490 4.810 4.320 0.001 0.000 0.279 454 K C -2.707 173.885 176.600 -0.014 0.000 0.986 454 K CA -1.663 54.616 56.287 -0.014 0.000 0.880 454 K CB 1.970 34.472 32.500 0.003 0.000 1.474 454 K HN -0.178 nan 8.250 nan 0.000 0.433 455 P HA 0.164 nan 4.420 nan 0.000 0.282 455 P C 0.198 177.501 177.300 0.005 0.000 1.286 455 P CA 0.136 63.233 63.100 -0.005 0.000 0.777 455 P CB 0.378 32.079 31.700 0.001 0.000 1.184 456 G N -2.756 106.050 108.800 0.011 0.000 2.198 456 G HA2 0.053 4.013 3.960 0.001 0.000 0.156 456 G HA3 0.053 4.013 3.960 0.001 0.000 0.156 456 G C 0.307 175.232 174.900 0.043 0.000 1.012 456 G CA -0.227 44.891 45.100 0.028 0.000 0.692 456 G HN 0.852 nan 8.290 nan 0.000 0.492 457 G N -0.672 108.137 108.800 0.016 0.000 2.601 457 G HA2 0.535 4.496 3.960 0.001 0.000 0.317 457 G HA3 0.535 4.496 3.960 0.001 0.000 0.317 457 G C 1.101 176.020 174.900 0.033 0.000 1.246 457 G CA -0.165 44.939 45.100 0.008 0.000 1.012 457 G HN 0.651 nan 8.290 nan 0.000 0.494 458 W N -0.733 120.592 121.300 0.041 0.000 2.425 458 W HA -0.051 4.609 4.660 -0.000 0.000 0.277 458 W C 1.632 178.180 176.519 0.048 0.000 1.231 458 W CA 0.696 58.056 57.345 0.025 0.000 1.248 458 W CB -0.511 28.942 29.460 -0.011 0.000 1.117 458 W HN 0.327 nan 8.180 nan 0.000 0.568 459 M N 1.308 120.654 119.600 -0.425 0.000 2.117 459 M HA -0.182 4.299 4.480 0.001 0.000 0.262 459 M C 1.834 178.106 176.300 -0.045 0.000 1.065 459 M CA 2.014 57.132 55.300 -0.303 0.000 1.114 459 M CB -0.756 31.536 32.600 -0.513 0.000 1.361 459 M HN -0.110 nan 8.290 nan 0.000 0.408 460 D N 0.072 120.440 120.400 -0.052 0.000 2.116 460 D HA -0.213 4.427 4.640 0.001 0.000 0.193 460 D C 1.997 178.326 176.300 0.049 0.000 0.998 460 D CA 1.419 55.420 54.000 0.001 0.000 0.836 460 D CB -0.363 40.436 40.800 -0.002 0.000 0.951 460 D HN 0.397 nan 8.370 nan 0.000 0.449 461 R N 1.004 121.557 120.500 0.089 0.000 2.066 461 R HA -0.102 4.238 4.340 0.001 0.000 0.232 461 R C 2.422 178.798 176.300 0.127 0.000 1.131 461 R CA 0.884 57.049 56.100 0.108 0.000 0.955 461 R CB -0.302 30.078 30.300 0.133 0.000 0.851 461 R HN -0.049 nan 8.270 nan 0.000 0.432 462 V N 1.772 121.805 119.914 0.199 0.000 2.332 462 V HA -0.284 3.836 4.120 0.001 0.000 0.248 462 V C 2.242 178.413 176.094 0.129 0.000 1.055 462 V CA 2.098 64.520 62.300 0.204 0.000 1.038 462 V CB -0.428 31.606 31.823 0.352 0.000 0.651 462 V HN 0.407 nan 8.190 nan 0.000 0.450 463 K N 0.123 120.584 120.400 0.101 0.000 2.057 463 K HA -0.139 4.181 4.320 0.001 0.000 0.207 463 K C 2.243 178.872 176.600 0.048 0.000 1.049 463 K CA 1.501 57.825 56.287 0.061 0.000 0.931 463 K CB -0.434 32.089 32.500 0.038 0.000 0.714 463 K HN 0.484 nan 8.250 nan 0.000 0.440 464 A N 1.481 124.331 122.820 0.049 0.000 2.070 464 A HA -0.176 4.144 4.320 0.001 0.000 0.220 464 A C 1.586 179.193 177.584 0.039 0.000 1.159 464 A CA 1.364 53.424 52.037 0.038 0.000 0.656 464 A CB -0.256 18.766 19.000 0.037 0.000 0.800 464 A HN 0.319 nan 8.150 nan 0.000 0.453 465 E N -1.793 118.438 120.200 0.052 0.000 2.442 465 E HA 0.253 4.604 4.350 0.001 0.000 0.195 465 E C 1.116 177.742 176.600 0.042 0.000 1.030 465 E CA 0.279 56.708 56.400 0.048 0.000 0.869 465 E CB 0.005 29.742 29.700 0.061 0.000 0.857 465 E HN 0.715 nan 8.360 nan 0.000 0.505 466 G N 1.252 110.077 108.800 0.043 0.000 2.141 466 G HA2 -0.231 3.729 3.960 0.001 0.000 0.242 466 G HA3 -0.231 3.729 3.960 0.001 0.000 0.242 466 G C 0.429 175.353 174.900 0.039 0.000 0.982 466 G CA -0.194 44.925 45.100 0.033 0.000 0.662 466 G HN 0.459 nan 8.290 nan 0.000 0.527 467 G N -0.677 108.160 108.800 0.063 0.000 2.504 467 G HA2 0.490 4.450 3.960 0.001 0.000 0.288 467 G HA3 0.490 4.450 3.960 0.001 0.000 0.288 467 G C -0.690 174.258 174.900 0.081 0.000 1.182 467 G CA 0.326 45.471 45.100 0.076 0.000 0.894 467 G HN 0.298 nan 8.290 nan 0.000 0.521 468 D N 0.672 121.118 120.400 0.076 0.000 2.427 468 D HA 0.217 4.858 4.640 0.001 0.000 0.226 468 D C 1.450 177.819 176.300 0.115 0.000 1.076 468 D CA -0.624 53.412 54.000 0.061 0.000 0.849 468 D CB 0.831 41.641 40.800 0.017 0.000 1.052 468 D HN 0.164 nan 8.370 nan 0.000 0.515 469 I N 2.926 123.596 120.570 0.167 0.000 2.423 469 I HA -0.227 3.943 4.170 0.001 0.000 0.254 469 I C 1.923 178.201 176.117 0.269 0.000 1.151 469 I CA 0.788 62.279 61.300 0.319 0.000 1.421 469 I CB 0.093 38.290 38.000 0.329 0.000 1.079 469 I HN 0.470 nan 8.210 nan 0.000 0.431 470 L N 0.517 121.800 121.223 0.099 0.000 2.599 470 L HA -0.024 4.317 4.340 0.001 0.000 0.230 470 L C 0.867 177.718 176.870 -0.032 0.000 1.141 470 L CA -0.268 54.583 54.840 0.018 0.000 0.877 470 L CB -0.786 41.236 42.059 -0.062 0.000 1.009 470 L HN 0.363 nan 8.230 nan 0.000 0.447 471 D N -1.644 118.740 120.400 -0.026 0.000 2.414 471 D HA -0.073 4.567 4.640 0.001 0.000 0.251 471 D C 0.770 176.958 176.300 -0.185 0.000 1.252 471 D CA -0.368 53.585 54.000 -0.079 0.000 0.999 471 D CB 0.410 41.185 40.800 -0.040 0.000 1.093 471 D HN -0.212 nan 8.370 nan 0.000 0.515 472 N N -0.655 117.930 118.700 -0.193 0.000 2.573 472 N HA -0.121 4.619 4.740 0.001 0.000 0.187 472 N C 0.129 175.369 175.510 -0.451 0.000 1.107 472 N CA 0.451 53.314 53.050 -0.311 0.000 0.918 472 N CB -0.427 37.944 38.487 -0.192 0.000 0.966 472 N HN 0.429 nan 8.380 nan 0.000 0.448 473 N N -0.387 118.150 118.700 -0.272 0.000 2.416 473 N HA 0.034 4.774 4.740 0.001 0.000 0.267 473 N C -0.552 175.082 175.510 0.206 0.000 1.294 473 N CA -0.381 52.636 53.050 -0.054 0.000 0.891 473 N CB -0.058 38.466 38.487 0.062 0.000 1.238 473 N HN 0.101 nan 8.380 nan 0.000 0.508 474 W N -0.450 120.852 121.300 0.004 0.000 4.233 474 W HA -0.269 4.391 4.660 -0.000 0.000 0.328 474 W C 1.190 177.793 176.519 0.140 0.000 1.212 474 W CA 0.649 58.029 57.345 0.060 0.000 0.752 474 W CB -1.991 27.297 29.460 -0.287 0.000 2.277 474 W HN 0.455 nan 8.180 nan 0.000 1.465 475 G N -0.760 108.176 108.800 0.227 0.000 2.179 475 G HA2 -0.308 3.652 3.960 0.001 0.000 0.260 475 G HA3 -0.308 3.652 3.960 0.001 0.000 0.260 475 G C 0.319 175.310 174.900 0.153 0.000 0.977 475 G CA 0.587 45.801 45.100 0.189 0.000 0.641 475 G HN 0.311 nan 8.290 nan 0.000 0.533 476 E N 0.080 120.362 120.200 0.136 0.000 2.373 476 E HA 0.379 4.729 4.350 0.001 0.000 0.263 476 E C 0.621 177.254 176.600 0.054 0.000 1.073 476 E CA -0.521 55.924 56.400 0.075 0.000 0.894 476 E CB 2.156 31.867 29.700 0.018 0.000 1.008 476 E HN 0.236 nan 8.360 nan 0.000 0.420 477 V N 3.583 123.517 119.914 0.033 0.000 2.673 477 V HA -0.103 4.017 4.120 0.001 0.000 0.303 477 V C 0.223 176.326 176.094 0.016 0.000 1.046 477 V CA 0.185 62.498 62.300 0.022 0.000 1.126 477 V CB -0.000 31.831 31.823 0.014 0.000 0.934 477 V HN 0.829 nan 8.190 nan 0.000 0.487 478 D N 0.000 120.408 120.400 0.014 0.000 6.856 478 D HA 0.000 4.640 4.640 0.001 0.000 0.175 478 D CA 0.000 54.007 54.000 0.011 0.000 0.868 478 D CB 0.000 40.802 40.800 0.003 0.000 0.688 478 D HN 0.000 nan 8.370 nan 0.000 0.683