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 2c2b_1_B DATA FIRST_RESID 35 DATA SEQUENCE AVNPFSAKYV PFNAAPGSTE SYSLDEIVYR SRSGGLLDVE HDMEALKRFD DATA SEQUENCE GAYWRDLFDS RVGKSTWPYG SGVWSKKEWV LPEIDDDDIV SAFEGNSNLF DATA SEQUENCE WAERFGKQFL GMNDLWVKHC GISHTGSFXD LGMTVLVSQV NRLRKMKRPV DATA SEQUENCE VGVGCASTGD TSAALSAYCA SAGIPSIVFL PANKISMAQL VQPIANGAFV DATA SEQUENCE LSIDTDFDGC MKLIREITAE LPIYLANSLN SLRLEGQKTA AIEILQQFDW DATA SEQUENCE QVPDWVIVPG GNLGNIYAFY KGFKMCQELG LVDRIPRMVC AQAANANPLY DATA SEQUENCE LHYKSGWKDX XXXXXXXXXX XXXXXXXXVS IDRAVYALKK CNGIVEEATE DATA SEQUENCE EELMDAMAQA DSTGMFICPH TGVALTALFK LRNQGVIAPT DRTVVVSTAH DATA SEQUENCE GLKFTQSKID YHSNAIPDMA CRFSNPPVDV KADFGAVMDV LKSYLGSN 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 35 A HA 0.000 nan 4.320 nan 0.000 0.244 35 A C 0.000 177.598 177.584 0.024 0.000 1.274 35 A CA 0.000 52.056 52.037 0.032 0.000 0.836 35 A CB 0.000 19.023 19.000 0.038 0.000 0.831 36 V N -0.484 119.443 119.914 0.020 0.000 3.299 36 V HA 0.210 4.331 4.120 0.001 0.000 0.369 36 V C 0.350 176.438 176.094 -0.010 0.000 1.245 36 V CA 0.170 62.472 62.300 0.005 0.000 1.459 36 V CB -1.123 30.704 31.823 0.006 0.000 1.203 36 V HN 0.615 nan 8.190 nan 0.000 0.451 37 N N 3.088 121.786 118.700 -0.003 0.000 2.426 37 N HA 0.412 5.152 4.740 0.001 0.000 0.257 37 N C -0.765 174.690 175.510 -0.092 0.000 1.002 37 N CA -1.996 51.043 53.050 -0.018 0.000 0.942 37 N CB 1.910 40.439 38.487 0.070 0.000 1.112 37 N HN 0.251 nan 8.380 nan 0.000 0.499 38 P HA 0.057 nan 4.420 nan 0.000 0.225 38 P C -0.349 176.824 177.300 -0.211 0.000 1.156 38 P CA 0.611 63.518 63.100 -0.322 0.000 0.787 38 P CB 0.158 31.554 31.700 -0.507 0.000 0.802 39 F N 1.419 121.477 119.950 0.180 0.000 2.385 39 F HA 0.464 4.992 4.527 0.001 0.000 0.336 39 F C 1.235 177.125 175.800 0.150 0.000 1.100 39 F CA -0.632 57.483 58.000 0.192 0.000 1.116 39 F CB 0.861 40.014 39.000 0.254 0.000 1.166 39 F HN -0.098 nan 8.300 nan 0.000 0.511 40 S N 0.634 116.530 115.700 0.326 0.000 2.588 40 S HA 0.957 5.427 4.470 0.001 0.000 0.269 40 S C -1.283 173.384 174.600 0.111 0.000 1.157 40 S CA -0.723 57.586 58.200 0.181 0.000 0.824 40 S CB 1.717 64.981 63.200 0.106 0.000 1.126 40 S HN 1.163 nan 8.310 nan 0.000 0.464 41 A N 1.056 123.866 122.820 -0.017 0.000 2.587 41 A HA 0.954 5.274 4.320 0.001 0.000 0.293 41 A C -1.159 176.308 177.584 -0.194 0.000 1.087 41 A CA -0.929 50.980 52.037 -0.214 0.000 0.692 41 A CB 1.683 20.355 19.000 -0.548 0.000 1.291 41 A HN 1.259 nan 8.150 nan 0.000 0.407 42 K N 0.335 120.606 120.400 -0.215 0.000 2.536 42 K HA 0.566 4.887 4.320 0.001 0.000 0.269 42 K C -1.723 174.798 176.600 -0.131 0.000 0.965 42 K CA -0.763 55.424 56.287 -0.166 0.000 0.860 42 K CB 1.148 33.618 32.500 -0.051 0.000 1.423 42 K HN 0.565 nan 8.250 nan 0.000 0.438 43 Y N 0.643 120.981 120.300 0.063 0.000 2.442 43 Y HA 0.338 4.888 4.550 0.001 0.000 0.330 43 Y C 0.018 175.992 175.900 0.124 0.000 1.129 43 Y CA -0.432 57.737 58.100 0.116 0.000 1.365 43 Y CB 1.514 40.087 38.460 0.189 0.000 1.233 43 Y HN 0.168 nan 8.280 nan 0.000 0.529 44 V N 5.677 125.764 119.914 0.289 0.000 2.888 44 V HA 0.327 4.447 4.120 0.001 0.000 0.309 44 V C -2.386 173.819 176.094 0.185 0.000 1.114 44 V CA -2.500 59.905 62.300 0.174 0.000 0.940 44 V CB 2.508 34.389 31.823 0.096 0.000 1.021 44 V HN 0.533 nan 8.190 nan 0.000 0.426 45 P HA 0.042 nan 4.420 nan 0.000 0.266 45 P C -0.616 176.760 177.300 0.127 0.000 1.195 45 P CA 0.033 63.213 63.100 0.132 0.000 0.768 45 P CB 0.202 31.950 31.700 0.080 0.000 0.838 46 F N 5.025 124.970 119.950 -0.010 0.000 2.651 46 F HA 0.132 4.659 4.527 0.001 0.000 0.347 46 F C 0.881 176.622 175.800 -0.099 0.000 1.284 46 F CA 0.746 58.706 58.000 -0.067 0.000 1.175 46 F CB -1.222 37.711 39.000 -0.112 0.000 1.542 46 F HN 0.433 nan 8.300 nan 0.000 0.661 47 N N 2.197 120.658 118.700 -0.397 0.000 1.603 47 N HA -0.161 4.579 4.740 0.001 0.000 0.238 47 N C -0.294 175.117 175.510 -0.164 0.000 0.884 47 N CA -0.030 52.800 53.050 -0.367 0.000 1.355 47 N CB -1.000 37.240 38.487 -0.412 0.000 1.850 47 N HN 0.870 nan 8.380 nan 0.000 0.350 48 A N -0.030 122.719 122.820 -0.118 0.000 2.815 48 A HA -0.020 4.300 4.320 0.001 0.000 0.292 48 A C 1.278 178.826 177.584 -0.060 0.000 1.457 48 A CA 2.241 54.240 52.037 -0.064 0.000 0.735 48 A CB -1.993 16.986 19.000 -0.035 0.000 1.056 48 A HN 1.542 nan 8.150 nan 0.000 0.474 49 A N 0.234 123.013 122.820 -0.068 0.000 1.884 49 A HA 0.043 4.364 4.320 0.001 0.000 0.219 49 A C -0.191 177.372 177.584 -0.034 0.000 1.197 49 A CA 1.921 53.926 52.037 -0.053 0.000 0.637 49 A CB -1.501 17.470 19.000 -0.049 0.000 0.827 49 A HN 0.845 nan 8.150 nan 0.000 0.450 50 P HA 0.325 nan 4.420 nan 0.000 0.245 50 P C 0.504 177.793 177.300 -0.019 0.000 1.670 50 P CA 0.922 64.010 63.100 -0.019 0.000 1.146 50 P CB -0.592 31.099 31.700 -0.015 0.000 1.954 51 G N 1.592 110.381 108.800 -0.020 0.000 2.323 51 G HA2 -0.271 3.690 3.960 0.001 0.000 0.292 51 G HA3 -0.271 3.690 3.960 0.001 0.000 0.292 51 G C 0.395 175.282 174.900 -0.021 0.000 1.040 51 G CA 0.198 45.287 45.100 -0.019 0.000 0.942 51 G HN 0.643 nan 8.290 nan 0.000 0.506 52 S N -0.652 115.033 115.700 -0.025 0.000 2.549 52 S HA 0.557 5.027 4.470 0.001 0.000 0.279 52 S C 1.507 176.088 174.600 -0.032 0.000 1.321 52 S CA 0.913 59.097 58.200 -0.027 0.000 1.054 52 S CB 0.685 63.869 63.200 -0.026 0.000 0.899 52 S HN 1.203 nan 8.310 nan 0.000 0.497 53 T N 0.891 115.421 114.554 -0.039 0.000 3.145 53 T HA 0.313 4.664 4.350 0.001 0.000 0.281 53 T C 0.184 174.834 174.700 -0.083 0.000 1.003 53 T CA -0.477 61.593 62.100 -0.051 0.000 0.901 53 T CB -0.174 68.668 68.868 -0.044 0.000 1.112 53 T HN 0.696 nan 8.240 nan 0.000 0.535 54 E N 2.501 122.647 120.200 -0.090 0.000 2.366 54 E HA 0.367 4.718 4.350 0.001 0.000 0.266 54 E C -0.442 176.034 176.600 -0.206 0.000 1.015 54 E CA -0.126 56.176 56.400 -0.164 0.000 0.906 54 E CB 0.330 29.975 29.700 -0.092 0.000 0.979 54 E HN 0.588 nan 8.360 nan 0.000 0.443 55 S N 3.411 118.871 115.700 -0.400 0.000 2.552 55 S HA 0.452 4.922 4.470 0.001 0.000 0.272 55 S C -1.508 172.779 174.600 -0.522 0.000 1.150 55 S CA -0.934 57.082 58.200 -0.307 0.000 0.849 55 S CB 0.597 63.730 63.200 -0.111 0.000 1.113 55 S HN 0.427 nan 8.310 nan 0.000 0.458 56 Y N 0.319 120.691 120.300 0.119 0.000 2.477 56 Y HA 0.699 5.249 4.550 0.001 0.000 0.347 56 Y C 0.692 176.678 175.900 0.145 0.000 0.981 56 Y CA -0.846 57.339 58.100 0.142 0.000 1.033 56 Y CB 2.144 40.710 38.460 0.176 0.000 1.245 56 Y HN 0.839 nan 8.280 nan 0.000 0.455 57 S N 1.829 117.675 115.700 0.243 0.000 2.560 57 S HA 0.114 4.585 4.470 0.001 0.000 0.284 57 S C 1.022 175.705 174.600 0.139 0.000 1.327 57 S CA -0.352 57.925 58.200 0.127 0.000 1.055 57 S CB 0.302 63.560 63.200 0.097 0.000 0.868 57 S HN 0.763 nan 8.310 nan 0.000 0.506 58 L N 2.964 124.156 121.223 -0.052 0.000 2.456 58 L HA -0.032 4.308 4.340 0.001 0.000 0.224 58 L C 1.266 178.170 176.870 0.058 0.000 1.148 58 L CA 0.659 55.408 54.840 -0.152 0.000 0.825 58 L CB -0.275 41.621 42.059 -0.271 0.000 0.937 58 L HN 0.610 nan 8.230 nan 0.000 0.450 59 D N -0.311 120.132 120.400 0.073 0.000 2.348 59 D HA 0.008 4.648 4.640 0.001 0.000 0.211 59 D C 0.553 176.915 176.300 0.104 0.000 0.998 59 D CA 0.421 54.465 54.000 0.074 0.000 0.873 59 D CB 0.208 41.039 40.800 0.051 0.000 0.925 59 D HN 0.409 nan 8.370 nan 0.000 0.524 60 E N 0.384 120.674 120.200 0.149 0.000 2.301 60 E HA 0.295 4.645 4.350 0.001 0.000 0.275 60 E C -0.186 176.469 176.600 0.092 0.000 1.030 60 E CA -0.618 55.854 56.400 0.120 0.000 0.852 60 E CB 1.706 31.491 29.700 0.140 0.000 1.060 60 E HN -0.045 nan 8.360 nan 0.000 0.401 61 I N 3.321 123.899 120.570 0.013 0.000 2.347 61 I HA 0.045 4.215 4.170 0.001 0.000 0.294 61 I C -0.468 175.425 176.117 -0.374 0.000 1.090 61 I CA -0.000 61.229 61.300 -0.118 0.000 1.314 61 I CB 0.155 38.134 38.000 -0.034 0.000 1.423 61 I HN 0.145 nan 8.210 nan 0.000 0.503 62 V N 3.197 122.730 119.914 -0.636 0.000 2.888 62 V HA 0.438 4.558 4.120 0.001 0.000 0.309 62 V C -0.643 174.900 176.094 -0.918 0.000 1.114 62 V CA -0.645 61.214 62.300 -0.735 0.000 0.940 62 V CB 1.419 32.770 31.823 -0.787 0.000 1.021 62 V HN 0.573 nan 8.190 nan 0.000 0.426 63 Y N 2.154 122.231 120.300 -0.372 0.000 2.526 63 Y HA 0.450 5.000 4.550 0.001 0.000 0.265 63 Y C 1.099 176.850 175.900 -0.248 0.000 1.092 63 Y CA -0.182 57.734 58.100 -0.307 0.000 1.277 63 Y CB 0.830 39.138 38.460 -0.253 0.000 1.228 63 Y HN 0.756 nan 8.280 nan 0.000 0.507 64 R N -0.812 119.621 120.500 -0.111 0.000 2.795 64 R HA 0.623 4.964 4.340 0.001 0.000 0.268 64 R C -0.500 175.749 176.300 -0.085 0.000 1.041 64 R CA -0.671 55.385 56.100 -0.074 0.000 0.927 64 R CB 0.933 31.218 30.300 -0.025 0.000 1.235 64 R HN -0.051 nan 8.270 nan 0.000 0.463 65 S N -0.181 115.525 115.700 0.011 0.000 2.661 65 S HA 0.232 4.702 4.470 0.001 0.000 0.265 65 S C 0.922 175.573 174.600 0.084 0.000 1.225 65 S CA -0.760 57.501 58.200 0.100 0.000 0.986 65 S CB 1.102 64.373 63.200 0.117 0.000 1.008 65 S HN 0.720 nan 8.310 nan 0.000 0.565 66 R N 0.450 121.030 120.500 0.133 0.000 2.091 66 R HA -0.089 4.251 4.340 0.001 0.000 0.238 66 R C 2.335 178.667 176.300 0.052 0.000 1.136 66 R CA 1.734 57.890 56.100 0.093 0.000 0.959 66 R CB -0.612 29.744 30.300 0.094 0.000 0.856 66 R HN 0.873 nan 8.270 nan 0.000 0.437 67 S N -1.521 114.208 115.700 0.048 0.000 2.593 67 S HA 0.131 4.601 4.470 0.001 0.000 0.217 67 S C 1.280 175.895 174.600 0.025 0.000 0.966 67 S CA 0.400 58.619 58.200 0.032 0.000 0.914 67 S CB 0.881 64.098 63.200 0.030 0.000 0.776 67 S HN 0.533 nan 8.310 nan 0.000 0.523 68 G N 0.461 109.276 108.800 0.025 0.000 2.176 68 G HA2 -0.148 3.812 3.960 0.001 0.000 0.253 68 G HA3 -0.148 3.812 3.960 0.001 0.000 0.253 68 G C 0.529 175.438 174.900 0.015 0.000 0.979 68 G CA -0.117 44.990 45.100 0.012 0.000 0.641 68 G HN 1.051 nan 8.290 nan 0.000 0.530 69 G N -0.576 108.243 108.800 0.031 0.000 2.683 69 G HA2 0.517 4.477 3.960 0.001 0.000 0.260 69 G HA3 0.517 4.477 3.960 0.001 0.000 0.260 69 G C 0.480 175.402 174.900 0.037 0.000 1.238 69 G CA -0.440 44.685 45.100 0.041 0.000 0.934 69 G HN 0.715 nan 8.290 nan 0.000 0.534 70 L N -0.251 120.997 121.223 0.041 0.000 2.397 70 L HA 0.184 4.524 4.340 0.001 0.000 0.271 70 L C 0.182 177.091 176.870 0.066 0.000 1.148 70 L CA -0.820 54.026 54.840 0.011 0.000 0.825 70 L CB 0.831 42.838 42.059 -0.087 0.000 1.117 70 L HN 0.197 nan 8.230 nan 0.000 0.456 71 L N 2.542 123.787 121.223 0.036 0.000 2.439 71 L HA 0.431 4.771 4.340 0.001 0.000 0.259 71 L C -0.109 176.856 176.870 0.158 0.000 1.129 71 L CA 0.340 55.232 54.840 0.086 0.000 0.803 71 L CB 0.983 43.012 42.059 -0.050 0.000 1.161 71 L HN 0.517 nan 8.230 nan 0.000 0.462 72 D N 0.164 120.718 120.400 0.257 0.000 2.990 72 D HA 0.237 4.877 4.640 0.001 0.000 0.227 72 D C -1.438 175.031 176.300 0.282 0.000 1.249 72 D CA -0.311 53.861 54.000 0.287 0.000 0.891 72 D CB 2.404 43.404 40.800 0.333 0.000 1.647 72 D HN 0.107 nan 8.370 nan 0.000 0.530 73 V N 3.548 123.597 119.914 0.224 0.000 2.405 73 V HA 0.167 4.287 4.120 0.001 0.000 0.264 73 V C 0.565 176.652 176.094 -0.011 0.000 1.048 73 V CA -0.032 62.292 62.300 0.041 0.000 0.966 73 V CB 0.888 32.687 31.823 -0.039 0.000 1.015 73 V HN 0.416 nan 8.190 nan 0.000 0.477 74 E N 4.884 125.043 120.200 -0.068 0.000 2.151 74 E HA 0.320 4.670 4.350 0.001 0.000 0.275 74 E C -0.698 175.806 176.600 -0.161 0.000 0.936 74 E CA -0.692 55.684 56.400 -0.040 0.000 0.777 74 E CB 0.746 30.457 29.700 0.018 0.000 1.108 74 E HN 0.729 nan 8.360 nan 0.000 0.401 75 H N 2.547 121.599 119.070 -0.029 0.000 2.482 75 H HA 0.049 4.605 4.556 0.001 0.000 0.344 75 H C -0.553 174.761 175.328 -0.023 0.000 1.151 75 H CA -0.485 55.539 56.048 -0.039 0.000 1.300 75 H CB 1.388 31.087 29.762 -0.106 0.000 1.494 75 H HN 0.560 nan 8.280 nan 0.000 0.542 76 D N 3.155 123.639 120.400 0.140 0.000 2.441 76 D HA -0.046 4.595 4.640 0.001 0.000 0.243 76 D C 1.076 177.440 176.300 0.108 0.000 1.257 76 D CA -0.055 54.014 54.000 0.115 0.000 1.027 76 D CB 0.269 41.157 40.800 0.146 0.000 1.084 76 D HN 0.339 nan 8.370 nan 0.000 0.514 77 M N 1.797 121.422 119.600 0.042 0.000 2.296 77 M HA -0.092 4.388 4.480 0.001 0.000 0.265 77 M C 1.501 177.823 176.300 0.036 0.000 1.064 77 M CA 0.927 56.218 55.300 -0.014 0.000 1.109 77 M CB -0.317 32.252 32.600 -0.051 0.000 1.396 77 M HN 0.346 nan 8.290 nan 0.000 0.430 78 E N 0.383 120.616 120.200 0.056 0.000 2.150 78 E HA -0.037 4.314 4.350 0.001 0.000 0.193 78 E C 2.099 178.761 176.600 0.103 0.000 0.985 78 E CA 1.297 57.732 56.400 0.058 0.000 0.814 78 E CB -0.320 29.401 29.700 0.035 0.000 0.752 78 E HN 0.474 nan 8.360 nan 0.000 0.466 79 A N 0.987 123.908 122.820 0.168 0.000 1.968 79 A HA -0.050 4.271 4.320 0.001 0.000 0.217 79 A C 2.324 180.224 177.584 0.528 0.000 1.169 79 A CA 0.731 52.930 52.037 0.270 0.000 0.638 79 A CB -0.473 18.703 19.000 0.294 0.000 0.812 79 A HN 0.143 nan 8.150 nan 0.000 0.446 80 L N -0.922 120.587 121.223 0.477 0.000 2.131 80 L HA -0.063 4.277 4.340 0.001 0.000 0.206 80 L C 2.283 179.466 176.870 0.522 0.000 1.087 80 L CA 1.157 56.330 54.840 0.554 0.000 0.767 80 L CB -0.334 41.728 42.059 0.006 0.000 0.917 80 L HN 0.233 nan 8.230 nan 0.000 0.441 81 K N 0.079 120.626 120.400 0.244 0.000 2.442 81 K HA -0.103 4.217 4.320 0.001 0.000 0.198 81 K C 1.971 178.634 176.600 0.105 0.000 1.044 81 K CA 0.642 57.025 56.287 0.161 0.000 0.948 81 K CB -0.019 32.517 32.500 0.060 0.000 0.762 81 K HN 0.272 nan 8.250 nan 0.000 0.472 82 R N -0.138 120.400 120.500 0.063 0.000 2.280 82 R HA -0.016 4.325 4.340 0.001 0.000 0.207 82 R C -0.081 175.885 176.300 -0.556 0.000 1.043 82 R CA 0.635 56.578 56.100 -0.263 0.000 1.006 82 R CB 0.062 30.119 30.300 -0.405 0.000 0.885 82 R HN 0.034 nan 8.270 nan 0.000 0.467 83 F N 1.539 121.469 119.950 -0.034 0.000 2.467 83 F HA 0.126 4.654 4.527 0.001 0.000 0.336 83 F C 0.344 176.098 175.800 -0.077 0.000 1.123 83 F CA -1.921 55.898 58.000 -0.302 0.000 0.964 83 F CB 1.042 39.508 39.000 -0.890 0.000 1.136 83 F HN -0.040 nan 8.300 nan 0.000 0.447 84 D N 1.304 121.737 120.400 0.055 0.000 2.363 84 D HA 0.115 4.755 4.640 0.001 0.000 0.240 84 D C 1.489 177.893 176.300 0.173 0.000 1.236 84 D CA -0.193 53.866 54.000 0.099 0.000 0.927 84 D CB 0.397 41.217 40.800 0.034 0.000 1.150 84 D HN 0.606 nan 8.370 nan 0.000 0.458 85 G N -0.410 108.472 108.800 0.137 0.000 2.469 85 G HA2 -0.227 3.733 3.960 0.001 0.000 0.219 85 G HA3 -0.227 3.733 3.960 0.001 0.000 0.219 85 G C 1.498 176.395 174.900 -0.005 0.000 1.150 85 G CA 1.555 46.720 45.100 0.108 0.000 0.763 85 G HN 0.694 nan 8.290 nan 0.000 0.561 86 A N -0.153 122.650 122.820 -0.028 0.000 1.933 86 A HA -0.012 4.308 4.320 0.001 0.000 0.218 86 A C 2.150 179.658 177.584 -0.127 0.000 1.175 86 A CA 1.668 53.650 52.037 -0.092 0.000 0.628 86 A CB -0.636 18.334 19.000 -0.050 0.000 0.814 86 A HN 0.510 nan 8.150 nan 0.000 0.444 87 Y N -0.888 119.281 120.300 -0.219 0.000 2.097 87 Y HA -0.297 4.254 4.550 0.001 0.000 0.282 87 Y C 2.167 177.767 175.900 -0.501 0.000 1.152 87 Y CA 2.190 60.076 58.100 -0.356 0.000 1.136 87 Y CB -0.528 37.684 38.460 -0.413 0.000 0.975 87 Y HN 0.452 nan 8.280 nan 0.000 0.498 88 W N 0.495 121.633 121.300 -0.270 0.000 2.358 88 W HA -0.133 4.527 4.660 0.001 0.000 0.303 88 W C 2.614 178.531 176.519 -1.003 0.000 1.208 88 W CA 1.313 58.188 57.345 -0.784 0.000 1.274 88 W CB -0.362 28.794 29.460 -0.506 0.000 1.138 88 W HN -0.101 nan 8.180 nan 0.000 0.515 89 R N 0.273 120.442 120.500 -0.552 0.000 2.080 89 R HA -0.178 4.162 4.340 0.001 0.000 0.236 89 R C 1.665 177.811 176.300 -0.256 0.000 1.137 89 R CA 1.934 57.607 56.100 -0.712 0.000 0.943 89 R CB -0.821 28.943 30.300 -0.893 0.000 0.846 89 R HN 0.175 nan 8.270 nan 0.000 0.431 90 D N 0.643 120.869 120.400 -0.289 0.000 2.144 90 D HA -0.135 4.505 4.640 0.001 0.000 0.200 90 D C 1.915 178.061 176.300 -0.257 0.000 0.978 90 D CA 0.761 54.637 54.000 -0.206 0.000 0.833 90 D CB -0.146 40.519 40.800 -0.225 0.000 0.961 90 D HN 0.049 nan 8.370 nan 0.000 0.470 91 L N 0.283 121.215 121.223 -0.486 0.000 1.994 91 L HA -0.146 4.194 4.340 0.001 0.000 0.208 91 L C 2.023 178.808 176.870 -0.143 0.000 1.071 91 L CA 1.505 56.058 54.840 -0.478 0.000 0.745 91 L CB -0.607 40.963 42.059 -0.815 0.000 0.892 91 L HN -0.136 nan 8.230 nan 0.000 0.431 92 F N 0.038 119.910 119.950 -0.130 0.000 2.234 92 F HA -0.129 4.398 4.527 0.001 0.000 0.299 92 F C 2.309 178.123 175.800 0.023 0.000 1.087 92 F CA 0.866 58.836 58.000 -0.050 0.000 1.340 92 F CB -1.241 37.776 39.000 0.028 0.000 1.031 92 F HN 0.215 nan 8.300 nan 0.000 0.500 93 D N -0.456 120.100 120.400 0.260 0.000 2.224 93 D HA -0.100 4.540 4.640 0.001 0.000 0.205 93 D C 2.341 178.688 176.300 0.078 0.000 0.965 93 D CA 1.449 55.556 54.000 0.178 0.000 0.852 93 D CB -0.412 40.515 40.800 0.211 0.000 0.947 93 D HN 0.284 nan 8.370 nan 0.000 0.494 94 S N -0.082 115.637 115.700 0.031 0.000 2.461 94 S HA 0.010 4.481 4.470 0.001 0.000 0.228 94 S C 1.805 176.418 174.600 0.022 0.000 1.005 94 S CA 0.235 58.436 58.200 0.002 0.000 0.942 94 S CB 0.037 63.205 63.200 -0.053 0.000 0.776 94 S HN 0.157 nan 8.310 nan 0.000 0.514 95 R N 0.471 120.992 120.500 0.035 0.000 2.156 95 R HA 0.312 4.652 4.340 0.001 0.000 0.207 95 R C 0.520 176.874 176.300 0.090 0.000 1.040 95 R CA 0.195 56.335 56.100 0.068 0.000 1.013 95 R CB -0.330 30.003 30.300 0.054 0.000 0.931 95 R HN 0.318 nan 8.270 nan 0.000 0.465 96 V N 1.850 121.798 119.914 0.057 0.000 2.539 96 V HA 0.010 4.130 4.120 0.001 0.000 0.300 96 V C 1.147 177.274 176.094 0.054 0.000 1.019 96 V CA 1.751 64.067 62.300 0.026 0.000 1.160 96 V CB 0.279 32.094 31.823 -0.013 0.000 0.901 96 V HN 0.776 nan 8.190 nan 0.000 0.481 97 G N 5.013 113.852 108.800 0.065 0.000 2.284 97 G HA2 -0.264 3.696 3.960 0.001 0.000 0.261 97 G HA3 -0.264 3.696 3.960 0.001 0.000 0.261 97 G C 0.505 175.551 174.900 0.243 0.000 0.997 97 G CA 0.538 45.726 45.100 0.146 0.000 0.621 97 G HN 0.718 nan 8.290 nan 0.000 0.534 98 K N 0.879 121.392 120.400 0.189 0.000 2.234 98 K HA 0.348 4.668 4.320 0.001 0.000 0.251 98 K C 1.801 178.529 176.600 0.213 0.000 1.011 98 K CA 0.617 57.009 56.287 0.175 0.000 0.889 98 K CB 0.495 33.081 32.500 0.143 0.000 1.011 98 K HN 0.583 nan 8.250 nan 0.000 0.505 99 S N -1.340 114.452 115.700 0.154 0.000 2.575 99 S HA 0.007 4.478 4.470 0.001 0.000 0.215 99 S C 0.302 174.997 174.600 0.158 0.000 0.966 99 S CA -0.329 57.946 58.200 0.125 0.000 0.911 99 S CB -0.075 63.165 63.200 0.066 0.000 0.780 99 S HN 0.457 nan 8.310 nan 0.000 0.514 100 T N 3.835 118.501 114.554 0.187 0.000 2.779 100 T HA 0.096 4.447 4.350 0.001 0.000 0.296 100 T C -0.287 174.544 174.700 0.218 0.000 0.938 100 T CA -0.493 61.732 62.100 0.208 0.000 1.119 100 T CB 0.078 69.084 68.868 0.231 0.000 0.891 100 T HN 0.521 nan 8.240 nan 0.000 0.526 101 W N 6.795 128.089 121.300 -0.010 0.000 2.238 101 W HA 0.222 4.882 4.660 0.001 0.000 0.321 101 W C -2.083 174.255 176.519 -0.302 0.000 1.293 101 W CA -2.349 54.934 57.345 -0.102 0.000 1.204 101 W CB 1.104 30.507 29.460 -0.095 0.000 1.167 101 W HN 0.502 nan 8.180 nan 0.000 0.553 102 P HA 0.053 nan 4.420 nan 0.000 0.269 102 P C 0.148 177.129 177.300 -0.531 0.000 1.478 102 P CA 0.229 62.532 63.100 -1.328 0.000 1.045 102 P CB -0.075 30.571 31.700 -1.756 0.000 1.512 103 Y N 0.054 120.304 120.300 -0.083 0.000 2.578 103 Y HA 0.168 4.718 4.550 0.001 0.000 0.297 103 Y C 2.511 178.451 175.900 0.067 0.000 1.176 103 Y CA 0.702 58.810 58.100 0.014 0.000 1.315 103 Y CB -1.198 37.283 38.460 0.035 0.000 1.031 103 Y HN 0.036 nan 8.280 nan 0.000 0.524 104 G N -0.717 108.233 108.800 0.249 0.000 2.422 104 G HA2 -0.180 3.781 3.960 0.001 0.000 0.218 104 G HA3 -0.180 3.781 3.960 0.001 0.000 0.218 104 G C 1.014 176.028 174.900 0.190 0.000 1.140 104 G CA 0.562 45.874 45.100 0.354 0.000 0.775 104 G HN 0.346 nan 8.290 nan 0.000 0.545 105 S N 0.036 115.834 115.700 0.163 0.000 2.572 105 S HA 0.399 4.869 4.470 0.001 0.000 0.279 105 S C 1.800 176.340 174.600 -0.100 0.000 1.341 105 S CA 0.301 58.516 58.200 0.024 0.000 1.043 105 S CB 1.328 64.653 63.200 0.209 0.000 0.887 105 S HN 0.256 nan 8.310 nan 0.000 0.516 106 G N 2.855 111.536 108.800 -0.198 0.000 2.498 106 G HA2 -0.069 3.892 3.960 0.001 0.000 0.219 106 G HA3 -0.069 3.892 3.960 0.001 0.000 0.219 106 G C 1.067 175.791 174.900 -0.293 0.000 1.119 106 G CA 0.850 45.811 45.100 -0.232 0.000 0.766 106 G HN 0.611 nan 8.290 nan 0.000 0.552 107 V N -0.940 118.771 119.914 -0.339 0.000 2.341 107 V HA 0.025 4.145 4.120 0.001 0.000 0.240 107 V C 2.161 177.921 176.094 -0.556 0.000 1.035 107 V CA 1.030 62.996 62.300 -0.557 0.000 1.033 107 V CB -0.582 30.753 31.823 -0.813 0.000 0.678 107 V HN 0.565 nan 8.190 nan 0.000 0.464 108 W N 0.948 122.149 121.300 -0.165 0.000 2.937 108 W HA -0.012 4.649 4.660 0.001 0.000 0.245 108 W C 2.569 179.065 176.519 -0.039 0.000 1.306 108 W CA 0.719 57.977 57.345 -0.146 0.000 1.470 108 W CB -0.485 28.827 29.460 -0.246 0.000 1.132 108 W HN 0.323 nan 8.180 nan 0.000 0.675 109 S N 0.494 116.225 115.700 0.052 0.000 2.447 109 S HA -0.118 4.352 4.470 0.001 0.000 0.233 109 S C 1.161 175.605 174.600 -0.261 0.000 1.006 109 S CA 0.788 58.998 58.200 0.017 0.000 0.957 109 S CB -0.243 62.907 63.200 -0.083 0.000 0.773 109 S HN 0.171 nan 8.310 nan 0.000 0.507 110 K N 1.186 121.279 120.400 -0.511 0.000 2.681 110 K HA 0.352 4.672 4.320 0.001 0.000 0.211 110 K C 1.177 177.579 176.600 -0.329 0.000 1.075 110 K CA -0.213 55.523 56.287 -0.919 0.000 1.141 110 K CB 0.431 32.163 32.500 -1.280 0.000 0.896 110 K HN 0.257 nan 8.250 nan 0.000 0.470 111 K N 1.503 121.918 120.400 0.025 0.000 2.089 111 K HA -0.272 4.048 4.320 0.001 0.000 0.210 111 K C 0.758 177.485 176.600 0.211 0.000 1.048 111 K CA 1.840 58.273 56.287 0.244 0.000 0.926 111 K CB 0.210 32.976 32.500 0.444 0.000 0.714 111 K HN 0.139 nan 8.250 nan 0.000 0.448 112 E N -0.849 119.472 120.200 0.201 0.000 2.267 112 E HA -0.186 4.164 4.350 0.001 0.000 0.197 112 E C 1.053 177.739 176.600 0.145 0.000 0.998 112 E CA 1.267 57.770 56.400 0.172 0.000 0.830 112 E CB -0.103 29.656 29.700 0.098 0.000 0.751 112 E HN 0.480 nan 8.360 nan 0.000 0.491 113 W N -1.312 119.800 121.300 -0.313 0.000 3.220 113 W HA 0.293 4.953 4.660 0.001 0.000 0.328 113 W C 1.146 177.345 176.519 -0.534 0.000 1.205 113 W CA -0.323 56.673 57.345 -0.581 0.000 1.773 113 W CB -0.057 29.076 29.460 -0.545 0.000 1.086 113 W HN -0.109 nan 8.180 nan 0.000 0.622 114 V N -0.569 119.365 119.914 0.033 0.000 3.204 114 V HA 0.253 4.373 4.120 0.001 0.000 0.218 114 V C 0.423 176.660 176.094 0.238 0.000 1.159 114 V CA 0.479 62.813 62.300 0.058 0.000 1.282 114 V CB -0.080 31.631 31.823 -0.187 0.000 1.225 114 V HN -0.316 nan 8.190 nan 0.000 0.509 115 L N 2.461 123.847 121.223 0.271 0.000 2.457 115 L HA 0.349 4.689 4.340 0.001 0.000 0.252 115 L C -1.842 175.202 176.870 0.289 0.000 1.132 115 L CA -1.133 53.878 54.840 0.286 0.000 0.938 115 L CB 2.160 44.418 42.059 0.332 0.000 1.246 115 L HN 0.233 nan 8.230 nan 0.000 0.476 116 P HA -0.126 nan 4.420 nan 0.000 0.222 116 P C 0.735 178.187 177.300 0.252 0.000 1.147 116 P CA 1.171 64.456 63.100 0.309 0.000 0.790 116 P CB 0.552 32.480 31.700 0.381 0.000 0.780 117 E N -0.964 119.346 120.200 0.184 0.000 2.452 117 E HA 0.137 4.488 4.350 0.001 0.000 0.197 117 E C 0.944 177.597 176.600 0.090 0.000 1.022 117 E CA -0.485 55.993 56.400 0.130 0.000 0.890 117 E CB 0.200 29.959 29.700 0.097 0.000 0.918 117 E HN 0.239 nan 8.360 nan 0.000 0.496 118 I N 1.996 122.617 120.570 0.085 0.000 2.588 118 I HA -0.038 4.132 4.170 0.001 0.000 0.283 118 I C 0.019 176.134 176.117 -0.003 0.000 1.119 118 I CA -0.052 61.264 61.300 0.028 0.000 1.419 118 I CB 0.675 38.677 38.000 0.003 0.000 1.394 118 I HN -0.112 nan 8.210 nan 0.000 0.562 119 D N 4.886 125.278 120.400 -0.013 0.000 2.382 119 D HA -0.011 4.630 4.640 0.001 0.000 0.245 119 D C 0.776 177.040 176.300 -0.059 0.000 1.120 119 D CA -0.034 53.958 54.000 -0.013 0.000 0.890 119 D CB 0.937 41.740 40.800 0.004 0.000 1.201 119 D HN 0.466 nan 8.370 nan 0.000 0.433 120 D N 1.830 122.201 120.400 -0.048 0.000 2.182 120 D HA -0.147 4.493 4.640 0.001 0.000 0.201 120 D C 0.772 177.155 176.300 0.139 0.000 0.986 120 D CA 0.993 54.958 54.000 -0.059 0.000 0.847 120 D CB 0.044 40.836 40.800 -0.014 0.000 0.942 120 D HN 0.484 nan 8.370 nan 0.000 0.467 121 D N 0.182 120.637 120.400 0.091 0.000 2.363 121 D HA -0.056 4.584 4.640 0.001 0.000 0.226 121 D C 0.789 177.113 176.300 0.040 0.000 1.020 121 D CA 0.469 54.514 54.000 0.075 0.000 0.892 121 D CB 0.124 40.938 40.800 0.023 0.000 0.900 121 D HN 0.190 nan 8.370 nan 0.000 0.531 122 D N -0.282 120.123 120.400 0.007 0.000 2.389 122 D HA 0.126 4.767 4.640 0.001 0.000 0.206 122 D C 0.826 177.099 176.300 -0.046 0.000 1.055 122 D CA -0.137 53.851 54.000 -0.019 0.000 0.856 122 D CB 1.112 41.893 40.800 -0.033 0.000 0.957 122 D HN 0.224 nan 8.370 nan 0.000 0.509 123 I N 1.359 121.873 120.570 -0.093 0.000 2.588 123 I HA 0.009 4.179 4.170 0.001 0.000 0.283 123 I C 0.035 176.184 176.117 0.052 0.000 1.119 123 I CA -0.185 60.958 61.300 -0.263 0.000 1.419 123 I CB 1.350 38.862 38.000 -0.813 0.000 1.394 123 I HN -0.348 nan 8.210 nan 0.000 0.562 124 V N 5.685 125.642 119.914 0.072 0.000 2.275 124 V HA 0.246 4.366 4.120 0.001 0.000 0.272 124 V C 0.055 176.379 176.094 0.382 0.000 1.028 124 V CA -0.231 62.215 62.300 0.244 0.000 0.810 124 V CB 0.759 32.724 31.823 0.236 0.000 1.043 124 V HN 0.761 nan 8.190 nan 0.000 0.453 125 S N 3.491 119.453 115.700 0.436 0.000 2.500 125 S HA 0.786 5.256 4.470 0.001 0.000 0.301 125 S C 0.258 175.112 174.600 0.423 0.000 1.092 125 S CA 0.100 58.580 58.200 0.466 0.000 1.030 125 S CB 1.794 65.118 63.200 0.207 0.000 1.031 125 S HN 0.916 nan 8.310 nan 0.000 0.483 126 A N 3.689 126.735 122.820 0.377 0.000 2.855 126 A HA 0.500 4.820 4.320 0.001 0.000 0.301 126 A C 0.335 178.172 177.584 0.422 0.000 1.076 126 A CA -0.623 51.571 52.037 0.262 0.000 1.004 126 A CB -1.141 17.806 19.000 -0.089 0.000 1.152 126 A HN 1.442 nan 8.150 nan 0.000 0.531 127 F N 0.365 120.455 119.950 0.235 0.000 3.084 127 F HA -0.270 4.257 4.527 0.001 0.000 0.286 127 F C 1.192 177.091 175.800 0.165 0.000 0.855 127 F CA 0.450 58.563 58.000 0.188 0.000 1.091 127 F CB -0.554 38.543 39.000 0.162 0.000 1.177 127 F HN 0.697 nan 8.300 nan 0.000 0.542 128 E N 1.554 121.873 120.200 0.198 0.000 2.428 128 E HA 0.439 4.789 4.350 0.001 0.000 0.257 128 E C 1.127 177.690 176.600 -0.062 0.000 1.197 128 E CA 0.540 57.003 56.400 0.105 0.000 0.974 128 E CB 0.327 30.132 29.700 0.176 0.000 0.976 128 E HN 0.758 nan 8.360 nan 0.000 0.463 129 G N 1.746 110.516 108.800 -0.051 0.000 2.598 129 G HA2 -0.348 3.612 3.960 0.001 0.000 0.244 129 G HA3 -0.348 3.612 3.960 0.001 0.000 0.244 129 G C 0.106 174.919 174.900 -0.145 0.000 1.302 129 G CA 0.099 45.134 45.100 -0.108 0.000 0.903 129 G HN 0.828 nan 8.290 nan 0.000 0.575 130 N N -1.301 117.294 118.700 -0.175 0.000 2.713 130 N HA -0.222 4.518 4.740 0.001 0.000 0.251 130 N C 0.784 176.246 175.510 -0.081 0.000 1.117 130 N CA 1.930 54.877 53.050 -0.172 0.000 0.770 130 N CB -1.739 36.571 38.487 -0.296 0.000 1.137 130 N HN 1.941 nan 8.380 nan 0.000 0.566 131 S N 0.021 115.703 115.700 -0.031 0.000 2.564 131 S HA 0.096 4.567 4.470 0.001 0.000 0.278 131 S C 0.414 175.047 174.600 0.056 0.000 1.333 131 S CA -0.805 57.423 58.200 0.047 0.000 1.048 131 S CB 1.590 64.845 63.200 0.093 0.000 0.900 131 S HN 0.337 nan 8.310 nan 0.000 0.505 132 N N 1.002 119.773 118.700 0.117 0.000 2.359 132 N HA -0.077 4.663 4.740 0.001 0.000 0.261 132 N C -0.687 174.891 175.510 0.113 0.000 1.267 132 N CA -0.426 52.710 53.050 0.143 0.000 0.864 132 N CB 0.080 38.722 38.487 0.258 0.000 1.063 132 N HN 0.566 nan 8.380 nan 0.000 0.474 133 L N 7.035 128.305 121.223 0.078 0.000 2.422 133 L HA 0.264 4.605 4.340 0.001 0.000 0.256 133 L C -0.762 176.323 176.870 0.358 0.000 1.202 133 L CA -0.313 54.593 54.840 0.110 0.000 1.119 133 L CB -0.843 41.132 42.059 -0.140 0.000 1.383 133 L HN 0.413 nan 8.230 nan 0.000 0.411 134 F N 3.143 123.146 119.950 0.089 0.000 2.541 134 F HA 0.119 4.646 4.527 0.001 0.000 0.378 134 F C -0.178 175.734 175.800 0.187 0.000 1.068 134 F CA -0.262 57.798 58.000 0.100 0.000 1.199 134 F CB 0.308 39.219 39.000 -0.147 0.000 1.091 134 F HN 0.519 nan 8.300 nan 0.000 0.555 135 W N 8.123 129.002 121.300 -0.701 0.000 2.546 135 W HA 0.468 5.128 4.660 0.001 0.000 0.323 135 W C -0.572 175.437 176.519 -0.849 0.000 1.272 135 W CA -1.817 54.868 57.345 -1.099 0.000 1.404 135 W CB 0.145 28.792 29.460 -1.355 0.000 1.411 135 W HN 0.674 nan 8.180 nan 0.000 0.480 136 A N 5.780 128.406 122.820 -0.324 0.000 3.026 136 A HA 0.061 4.381 4.320 0.001 0.000 0.272 136 A C 1.480 178.785 177.584 -0.466 0.000 1.782 136 A CA 0.123 52.110 52.037 -0.083 0.000 1.451 136 A CB -0.635 18.553 19.000 0.314 0.000 1.081 136 A HN 0.852 nan 8.150 nan 0.000 0.611 137 E N 1.478 121.047 120.200 -1.051 0.000 2.015 137 E HA -0.193 4.157 4.350 0.001 0.000 0.191 137 E C 2.061 178.385 176.600 -0.460 0.000 0.991 137 E CA 1.120 56.823 56.400 -1.161 0.000 0.802 137 E CB -0.075 28.581 29.700 -1.740 0.000 0.759 137 E HN 0.736 nan 8.360 nan 0.000 0.447 138 R N -0.528 119.805 120.500 -0.279 0.000 2.075 138 R HA -0.150 4.190 4.340 0.001 0.000 0.232 138 R C 2.390 178.747 176.300 0.095 0.000 1.126 138 R CA 1.485 57.540 56.100 -0.076 0.000 0.963 138 R CB -0.398 29.901 30.300 -0.001 0.000 0.858 138 R HN 0.248 nan 8.270 nan 0.000 0.435 139 F N 0.562 120.544 119.950 0.053 0.000 2.146 139 F HA 0.001 4.529 4.527 0.001 0.000 0.298 139 F C 1.946 177.851 175.800 0.174 0.000 1.096 139 F CA 1.819 59.934 58.000 0.192 0.000 1.275 139 F CB -0.773 38.263 39.000 0.059 0.000 1.008 139 F HN 0.062 nan 8.300 nan 0.000 0.480 140 G N 0.183 108.942 108.800 -0.068 0.000 2.404 140 G HA2 -0.239 3.722 3.960 0.001 0.000 0.215 140 G HA3 -0.239 3.722 3.960 0.001 0.000 0.215 140 G C 1.743 176.552 174.900 -0.151 0.000 1.174 140 G CA 0.814 45.822 45.100 -0.153 0.000 0.780 140 G HN 0.351 nan 8.290 nan 0.000 0.537 141 K N -0.182 120.141 120.400 -0.128 0.000 2.103 141 K HA 0.021 4.342 4.320 0.001 0.000 0.204 141 K C 2.687 179.195 176.600 -0.153 0.000 1.052 141 K CA 0.978 57.197 56.287 -0.115 0.000 0.945 141 K CB -0.072 32.364 32.500 -0.108 0.000 0.722 141 K HN 0.310 nan 8.250 nan 0.000 0.443 142 Q N -0.893 118.786 119.800 -0.201 0.000 2.212 142 Q HA 0.017 4.357 4.340 0.001 0.000 0.199 142 Q C 1.396 177.084 176.000 -0.520 0.000 0.950 142 Q CA 1.019 56.603 55.803 -0.365 0.000 0.863 142 Q CB 0.281 28.736 28.738 -0.471 0.000 0.944 142 Q HN 0.248 nan 8.270 nan 0.000 0.465 143 F N -1.214 118.570 119.950 -0.277 0.000 2.622 143 F HA 0.142 4.670 4.527 0.001 0.000 0.288 143 F C 1.499 177.161 175.800 -0.231 0.000 1.120 143 F CA 0.436 58.263 58.000 -0.288 0.000 1.423 143 F CB 0.623 39.339 39.000 -0.473 0.000 1.127 143 F HN -0.095 nan 8.300 nan 0.000 0.588 144 L N -1.170 119.973 121.223 -0.133 0.000 2.966 144 L HA 0.389 4.729 4.340 0.001 0.000 0.262 144 L C 1.178 177.997 176.870 -0.085 0.000 1.165 144 L CA 0.187 54.967 54.840 -0.101 0.000 0.978 144 L CB 0.503 42.471 42.059 -0.152 0.000 1.337 144 L HN 0.161 nan 8.230 nan 0.000 0.563 145 G N 1.554 110.300 108.800 -0.091 0.000 2.323 145 G HA2 -0.304 3.657 3.960 0.001 0.000 0.292 145 G HA3 -0.304 3.657 3.960 0.001 0.000 0.292 145 G C -0.019 174.860 174.900 -0.034 0.000 1.040 145 G CA 0.395 45.457 45.100 -0.063 0.000 0.942 145 G HN 0.286 nan 8.290 nan 0.000 0.506 146 M N 0.457 120.039 119.600 -0.030 0.000 2.190 146 M HA 0.290 4.770 4.480 0.001 0.000 0.312 146 M C 1.170 177.508 176.300 0.064 0.000 0.990 146 M CA -0.841 54.473 55.300 0.024 0.000 0.927 146 M CB 1.472 34.093 32.600 0.034 0.000 1.571 146 M HN 0.242 nan 8.290 nan 0.000 0.427 147 N N 0.301 119.071 118.700 0.116 0.000 2.424 147 N HA -0.048 4.693 4.740 0.001 0.000 0.178 147 N C -0.132 175.586 175.510 0.347 0.000 1.060 147 N CA 0.610 53.784 53.050 0.206 0.000 0.901 147 N CB 0.321 38.912 38.487 0.173 0.000 0.979 147 N HN 0.566 nan 8.380 nan 0.000 0.451 148 D N 0.499 121.063 120.400 0.273 0.000 2.980 148 D HA 0.219 4.859 4.640 0.001 0.000 0.333 148 D C -1.269 175.265 176.300 0.389 0.000 1.356 148 D CA -0.483 53.720 54.000 0.338 0.000 0.847 148 D CB -0.130 40.852 40.800 0.303 0.000 1.122 148 D HN 0.128 nan 8.370 nan 0.000 0.475 149 L N 1.008 122.385 121.223 0.258 0.000 2.296 149 L HA 0.650 4.991 4.340 0.001 0.000 0.286 149 L C -1.573 175.401 176.870 0.172 0.000 1.023 149 L CA -0.377 54.631 54.840 0.280 0.000 0.812 149 L CB 0.597 42.783 42.059 0.212 0.000 1.223 149 L HN -0.065 nan 8.230 nan 0.000 0.421 150 W N 4.391 125.891 121.300 0.334 0.000 2.736 150 W HA 0.696 5.356 4.660 0.001 0.000 0.335 150 W C -1.023 175.621 176.519 0.208 0.000 1.059 150 W CA -0.803 56.722 57.345 0.301 0.000 1.226 150 W CB 1.889 31.522 29.460 0.288 0.000 1.416 150 W HN 0.203 nan 8.180 nan 0.000 0.505 151 V N 3.026 123.153 119.914 0.356 0.000 2.384 151 V HA 0.298 4.419 4.120 0.001 0.000 0.287 151 V C -0.199 175.873 176.094 -0.035 0.000 1.020 151 V CA -1.344 61.033 62.300 0.128 0.000 0.850 151 V CB 1.311 33.151 31.823 0.029 0.000 0.987 151 V HN 0.331 nan 8.190 nan 0.000 0.436 152 K N 3.220 123.637 120.400 0.028 0.000 2.284 152 K HA 0.270 4.591 4.320 0.001 0.000 0.287 152 K C -0.037 176.599 176.600 0.060 0.000 1.081 152 K CA 0.176 56.485 56.287 0.036 0.000 0.910 152 K CB -0.117 32.447 32.500 0.107 0.000 1.088 152 K HN 0.742 nan 8.250 nan 0.000 0.478 153 H N 4.260 123.395 119.070 0.108 0.000 2.855 153 H HA 0.110 4.666 4.556 0.001 0.000 0.238 153 H C 0.433 175.816 175.328 0.092 0.000 1.847 153 H CA -0.812 55.273 56.048 0.062 0.000 1.368 153 H CB 0.033 29.813 29.762 0.030 0.000 1.758 153 H HN 0.722 nan 8.280 nan 0.000 0.546 154 C N 0.658 120.095 119.300 0.228 0.000 2.437 154 C HA -0.081 4.380 4.460 0.001 0.000 0.283 154 C C 2.798 177.940 174.990 0.252 0.000 1.424 154 C CA 0.980 60.138 59.018 0.233 0.000 1.782 154 C CB -0.974 26.929 27.740 0.271 0.000 1.833 154 C HN 0.967 nan 8.230 nan 0.000 0.532 155 G N 0.578 109.516 108.800 0.231 0.000 2.509 155 G HA2 -0.024 3.937 3.960 0.001 0.000 0.218 155 G HA3 -0.024 3.937 3.960 0.001 0.000 0.218 155 G C 0.678 175.750 174.900 0.286 0.000 1.124 155 G CA 0.200 45.448 45.100 0.247 0.000 0.776 155 G HN 0.622 nan 8.290 nan 0.000 0.547 156 I N 2.569 123.283 120.570 0.239 0.000 2.227 156 I HA 0.266 4.437 4.170 0.001 0.000 0.297 156 I C 0.098 176.334 176.117 0.199 0.000 1.173 156 I CA -0.269 61.182 61.300 0.252 0.000 1.356 156 I CB -0.027 38.095 38.000 0.204 0.000 1.485 156 I HN 0.129 nan 8.210 nan 0.000 0.604 157 S N 1.374 117.192 115.700 0.197 0.000 2.688 157 S HA 0.287 4.757 4.470 0.001 0.000 0.275 157 S C 0.831 175.543 174.600 0.187 0.000 1.175 157 S CA -0.767 57.548 58.200 0.192 0.000 0.818 157 S CB 1.418 64.743 63.200 0.207 0.000 1.157 157 S HN 0.459 nan 8.310 nan 0.000 0.482 158 H N 1.599 120.740 119.070 0.119 0.000 2.292 158 H HA -0.160 4.397 4.556 0.001 0.000 0.292 158 H C 1.774 177.135 175.328 0.054 0.000 1.100 158 H CA 3.016 59.105 56.048 0.068 0.000 1.238 158 H CB -0.434 29.340 29.762 0.019 0.000 1.355 158 H HN 0.876 nan 8.280 nan 0.000 0.484 159 T N -3.695 111.028 114.554 0.282 0.000 3.092 159 T HA 0.353 4.703 4.350 0.001 0.000 0.258 159 T C 1.311 176.090 174.700 0.131 0.000 1.031 159 T CA 0.708 62.927 62.100 0.198 0.000 0.925 159 T CB 0.459 69.460 68.868 0.222 0.000 1.036 159 T HN 0.586 nan 8.240 nan 0.000 0.544 160 G N 0.981 109.869 108.800 0.148 0.000 2.157 160 G HA2 -0.131 3.830 3.960 0.001 0.000 0.239 160 G HA3 -0.131 3.830 3.960 0.001 0.000 0.239 160 G C 0.141 175.173 174.900 0.219 0.000 0.982 160 G CA 0.306 45.505 45.100 0.165 0.000 0.650 160 G HN 1.575 nan 8.290 nan 0.000 0.527 161 S N -0.813 115.008 115.700 0.202 0.000 2.671 161 S HA 0.831 5.302 4.470 0.001 0.000 0.277 161 S C 0.080 174.809 174.600 0.215 0.000 1.165 161 S CA -0.336 58.002 58.200 0.232 0.000 0.822 161 S CB 1.634 64.935 63.200 0.169 0.000 1.150 161 S HN 1.628 nan 8.310 nan 0.000 0.479 165 L N 1.209 122.382 121.223 -0.083 0.000 2.042 165 L HA -0.001 4.339 4.340 0.001 0.000 0.210 165 L C 2.443 179.180 176.870 -0.222 0.000 1.076 165 L CA 2.164 56.919 54.840 -0.142 0.000 0.749 165 L CB -0.543 41.470 42.059 -0.076 0.000 0.893 165 L HN 0.140 nan 8.230 nan 0.000 0.432 166 G N -0.913 107.770 108.800 -0.195 0.000 2.408 166 G HA2 -0.159 3.801 3.960 0.001 0.000 0.215 166 G HA3 -0.159 3.801 3.960 0.001 0.000 0.215 166 G C 1.596 176.375 174.900 -0.203 0.000 1.156 166 G CA 0.161 45.157 45.100 -0.173 0.000 0.793 166 G HN 0.055 nan 8.290 nan 0.000 0.535 167 M N 0.852 120.278 119.600 -0.290 0.000 2.229 167 M HA 0.007 4.488 4.480 0.001 0.000 0.264 167 M C 2.606 178.595 176.300 -0.519 0.000 1.063 167 M CA 1.171 56.251 55.300 -0.366 0.000 1.114 167 M CB -1.301 31.061 32.600 -0.398 0.000 1.387 167 M HN 0.277 nan 8.290 nan 0.000 0.420 168 T N 0.398 114.564 114.554 -0.646 0.000 2.833 168 T HA -0.059 4.291 4.350 0.001 0.000 0.269 168 T C 1.800 176.576 174.700 0.126 0.000 1.054 168 T CA 1.130 63.043 62.100 -0.311 0.000 1.135 168 T CB 0.044 68.909 68.868 -0.005 0.000 0.869 168 T HN 0.149 nan 8.240 nan 0.000 0.466 169 V N 1.013 120.913 119.914 -0.023 0.000 2.346 169 V HA 0.040 4.160 4.120 0.001 0.000 0.244 169 V C 2.501 178.643 176.094 0.081 0.000 1.037 169 V CA 1.444 63.792 62.300 0.079 0.000 1.029 169 V CB -0.675 31.074 31.823 -0.124 0.000 0.663 169 V HN 0.441 nan 8.190 nan 0.000 0.454 170 L N -0.032 121.189 121.223 -0.004 0.000 1.970 170 L HA -0.188 4.152 4.340 0.001 0.000 0.212 170 L C 2.452 179.290 176.870 -0.053 0.000 1.071 170 L CA 1.834 56.664 54.840 -0.016 0.000 0.751 170 L CB -0.238 41.830 42.059 0.015 0.000 0.889 170 L HN 0.150 nan 8.230 nan 0.000 0.432 171 V N -0.822 119.074 119.914 -0.030 0.000 2.332 171 V HA -0.293 3.827 4.120 0.001 0.000 0.248 171 V C 2.599 178.707 176.094 0.023 0.000 1.055 171 V CA 1.932 64.233 62.300 0.002 0.000 1.038 171 V CB -0.476 31.382 31.823 0.058 0.000 0.651 171 V HN 0.460 nan 8.190 nan 0.000 0.450 172 S N -0.576 115.167 115.700 0.072 0.000 2.353 172 S HA -0.334 4.136 4.470 0.001 0.000 0.222 172 S C 2.032 176.638 174.600 0.011 0.000 1.035 172 S CA 2.113 60.346 58.200 0.055 0.000 1.025 172 S CB -0.359 62.903 63.200 0.103 0.000 0.902 172 S HN 0.643 nan 8.310 nan 0.000 0.440 173 Q N 1.092 120.900 119.800 0.013 0.000 2.050 173 Q HA -0.069 4.271 4.340 0.001 0.000 0.202 173 Q C 1.993 177.939 176.000 -0.090 0.000 0.980 173 Q CA 1.661 57.446 55.803 -0.030 0.000 0.840 173 Q CB -0.560 28.157 28.738 -0.035 0.000 0.898 173 Q HN 0.348 nan 8.270 nan 0.000 0.424 174 V N 1.296 121.117 119.914 -0.156 0.000 2.332 174 V HA -0.273 3.847 4.120 0.001 0.000 0.248 174 V C 2.194 178.247 176.094 -0.067 0.000 1.055 174 V CA 1.977 64.174 62.300 -0.172 0.000 1.038 174 V CB -0.950 30.748 31.823 -0.208 0.000 0.651 174 V HN 0.506 nan 8.190 nan 0.000 0.450 175 N N 0.500 119.179 118.700 -0.035 0.000 2.120 175 N HA -0.219 4.522 4.740 0.001 0.000 0.188 175 N C 2.022 177.524 175.510 -0.013 0.000 1.024 175 N CA 1.829 54.872 53.050 -0.011 0.000 0.852 175 N CB -0.343 38.148 38.487 0.006 0.000 1.003 175 N HN 0.444 nan 8.380 nan 0.000 0.424 176 R N 0.302 120.791 120.500 -0.019 0.000 2.083 176 R HA -0.087 4.253 4.340 0.001 0.000 0.237 176 R C 2.085 178.380 176.300 -0.008 0.000 1.137 176 R CA 1.298 57.390 56.100 -0.013 0.000 0.951 176 R CB -0.461 29.832 30.300 -0.012 0.000 0.851 176 R HN 0.294 nan 8.270 nan 0.000 0.434 177 L N 0.274 121.488 121.223 -0.015 0.000 2.017 177 L HA -0.151 4.190 4.340 0.001 0.000 0.208 177 L C 2.868 179.739 176.870 0.002 0.000 1.073 177 L CA 1.589 56.426 54.840 -0.005 0.000 0.745 177 L CB -0.428 41.623 42.059 -0.013 0.000 0.894 177 L HN 0.248 nan 8.230 nan 0.000 0.432 178 R N 0.188 120.687 120.500 -0.002 0.000 2.081 178 R HA -0.150 4.191 4.340 0.001 0.000 0.235 178 R C 2.225 178.527 176.300 0.004 0.000 1.131 178 R CA 1.212 57.315 56.100 0.005 0.000 0.960 178 R CB -0.181 30.122 30.300 0.005 0.000 0.856 178 R HN 0.314 nan 8.270 nan 0.000 0.436 179 K N 0.687 121.088 120.400 0.001 0.000 2.365 179 K HA -0.033 4.287 4.320 0.001 0.000 0.199 179 K C 1.620 178.222 176.600 0.003 0.000 1.045 179 K CA 0.913 57.200 56.287 0.001 0.000 0.962 179 K CB 0.132 32.630 32.500 -0.002 0.000 0.759 179 K HN 0.292 nan 8.250 nan 0.000 0.469 180 M N -0.965 118.638 119.600 0.006 0.000 2.551 180 M HA 0.294 4.775 4.480 0.001 0.000 0.252 180 M C -0.614 175.693 176.300 0.011 0.000 1.219 180 M CA 0.080 55.385 55.300 0.009 0.000 0.978 180 M CB 0.345 32.952 32.600 0.011 0.000 1.533 180 M HN -0.236 nan 8.290 nan 0.000 0.474 181 K N 0.527 120.933 120.400 0.010 0.000 3.160 181 K HA -0.065 4.256 4.320 0.001 0.000 0.280 181 K C -0.621 175.989 176.600 0.017 0.000 1.154 181 K CA 0.566 56.860 56.287 0.012 0.000 0.822 181 K CB -1.235 31.271 32.500 0.011 0.000 1.239 181 K HN 0.497 nan 8.250 nan 0.000 0.489 182 R N 0.689 121.201 120.500 0.019 0.000 2.539 182 R HA 0.158 4.498 4.340 0.001 0.000 0.275 182 R C -2.138 174.180 176.300 0.030 0.000 1.077 182 R CA -1.643 54.472 56.100 0.026 0.000 1.097 182 R CB 0.093 30.410 30.300 0.029 0.000 1.018 182 R HN -0.013 nan 8.270 nan 0.000 0.483 183 P HA 0.123 nan 4.420 nan 0.000 0.260 183 P C -0.906 176.428 177.300 0.055 0.000 1.651 183 P CA -0.062 63.062 63.100 0.040 0.000 1.139 183 P CB 0.361 32.083 31.700 0.038 0.000 1.756 184 V N 4.220 124.167 119.914 0.054 0.000 2.445 184 V HA 0.043 4.164 4.120 0.001 0.000 0.283 184 V C 1.513 177.642 176.094 0.060 0.000 1.014 184 V CA -0.544 61.800 62.300 0.074 0.000 0.852 184 V CB 1.676 33.544 31.823 0.075 0.000 1.021 184 V HN 0.261 nan 8.190 nan 0.000 0.435 185 V N 1.652 121.604 119.914 0.064 0.000 2.591 185 V HA 0.581 4.701 4.120 0.001 0.000 0.249 185 V C 0.900 177.023 176.094 0.047 0.000 1.053 185 V CA 1.619 63.945 62.300 0.044 0.000 1.068 185 V CB -0.396 31.448 31.823 0.035 0.000 0.689 185 V HN 1.001 nan 8.190 nan 0.000 0.462 186 G N -1.103 107.745 108.800 0.080 0.000 2.430 186 G HA2 0.529 4.489 3.960 0.001 0.000 0.300 186 G HA3 0.529 4.489 3.960 0.001 0.000 0.300 186 G C -1.752 173.234 174.900 0.144 0.000 1.330 186 G CA 0.013 45.166 45.100 0.088 0.000 0.813 186 G HN 0.382 nan 8.290 nan 0.000 0.487 187 V N -0.111 119.889 119.914 0.144 0.000 2.555 187 V HA 0.883 5.004 4.120 0.001 0.000 0.302 187 V C 0.690 176.893 176.094 0.181 0.000 1.038 187 V CA 0.111 62.531 62.300 0.201 0.000 0.887 187 V CB 1.290 33.221 31.823 0.180 0.000 0.991 187 V HN 1.361 nan 8.190 nan 0.000 0.434 188 G N 1.354 110.287 108.800 0.222 0.000 2.569 188 G HA2 0.799 4.760 3.960 0.001 0.000 0.300 188 G HA3 0.799 4.760 3.960 0.001 0.000 0.300 188 G C -0.755 174.267 174.900 0.204 0.000 1.269 188 G CA -0.218 45.024 45.100 0.236 0.000 0.959 188 G HN 1.361 nan 8.290 nan 0.000 0.478 189 C N -2.263 117.159 119.300 0.203 0.000 3.284 189 C HA 0.858 5.319 4.460 0.001 0.000 0.348 189 C C 0.674 175.756 174.990 0.153 0.000 1.448 189 C CA 0.037 59.141 59.018 0.143 0.000 1.223 189 C CB 1.373 29.170 27.740 0.096 0.000 1.588 189 C HN 1.561 nan 8.230 nan 0.000 0.451 190 A N 0.387 123.255 122.820 0.081 0.000 2.571 190 A HA 0.604 4.925 4.320 0.001 0.000 0.274 190 A C 0.744 178.357 177.584 0.048 0.000 1.196 190 A CA 0.742 52.808 52.037 0.048 0.000 0.957 190 A CB -0.469 18.502 19.000 -0.048 0.000 1.150 190 A HN 1.605 nan 8.150 nan 0.000 0.539 191 S N 0.376 116.112 115.700 0.060 0.000 2.562 191 S HA 0.263 4.734 4.470 0.001 0.000 0.281 191 S C 1.401 176.036 174.600 0.059 0.000 1.333 191 S CA 0.740 58.981 58.200 0.067 0.000 1.052 191 S CB 0.696 63.931 63.200 0.058 0.000 0.884 191 S HN 0.716 nan 8.310 nan 0.000 0.506 192 T N 1.601 116.196 114.554 0.069 0.000 3.001 192 T HA 0.393 4.743 4.350 0.001 0.000 0.251 192 T C 1.003 175.729 174.700 0.043 0.000 1.040 192 T CA 0.306 62.438 62.100 0.053 0.000 0.985 192 T CB 0.082 68.989 68.868 0.065 0.000 1.011 192 T HN 0.648 nan 8.240 nan 0.000 0.509 193 G N 1.085 109.918 108.800 0.054 0.000 3.414 193 G HA2 0.341 4.301 3.960 0.001 0.000 0.196 193 G HA3 0.341 4.301 3.960 0.001 0.000 0.196 193 G C 0.245 175.169 174.900 0.039 0.000 1.486 193 G CA 0.094 45.222 45.100 0.047 0.000 0.811 193 G HN 0.145 nan 8.290 nan 0.000 0.704 194 D N 0.228 120.657 120.400 0.048 0.000 2.117 194 D HA -0.060 4.580 4.640 0.001 0.000 0.197 194 D C 2.674 178.976 176.300 0.004 0.000 0.987 194 D CA 1.749 55.767 54.000 0.029 0.000 0.829 194 D CB -0.563 40.252 40.800 0.024 0.000 0.961 194 D HN 0.258 nan 8.370 nan 0.000 0.460 195 T N 0.639 115.191 114.554 -0.003 0.000 2.674 195 T HA -0.150 4.200 4.350 0.001 0.000 0.265 195 T C 2.228 176.944 174.700 0.027 0.000 1.039 195 T CA 2.047 64.143 62.100 -0.008 0.000 1.150 195 T CB -0.364 68.506 68.868 0.004 0.000 0.864 195 T HN 0.236 nan 8.240 nan 0.000 0.427 196 S N 2.301 118.025 115.700 0.040 0.000 2.368 196 S HA -0.023 4.447 4.470 0.001 0.000 0.225 196 S C 2.461 177.094 174.600 0.056 0.000 1.030 196 S CA 0.965 59.194 58.200 0.048 0.000 0.999 196 S CB -0.798 62.426 63.200 0.040 0.000 0.844 196 S HN 0.523 nan 8.310 nan 0.000 0.459 197 A N 2.429 125.280 122.820 0.052 0.000 1.883 197 A HA 0.197 4.518 4.320 0.001 0.000 0.217 197 A C 2.567 180.215 177.584 0.106 0.000 1.186 197 A CA 2.044 54.120 52.037 0.066 0.000 0.624 197 A CB -1.549 17.484 19.000 0.054 0.000 0.822 197 A HN 0.850 nan 8.150 nan 0.000 0.444 198 A N -0.635 122.251 122.820 0.111 0.000 1.873 198 A HA 0.005 4.326 4.320 0.001 0.000 0.215 198 A C 2.158 179.878 177.584 0.226 0.000 1.186 198 A CA 1.713 53.860 52.037 0.184 0.000 0.616 198 A CB -0.721 18.336 19.000 0.094 0.000 0.823 198 A HN 0.714 nan 8.150 nan 0.000 0.442 199 L N 0.174 121.470 121.223 0.123 0.000 1.989 199 L HA -0.147 4.193 4.340 0.001 0.000 0.211 199 L C 2.506 179.460 176.870 0.140 0.000 1.071 199 L CA 2.767 57.676 54.840 0.116 0.000 0.749 199 L CB -0.710 41.401 42.059 0.086 0.000 0.890 199 L HN 0.293 nan 8.230 nan 0.000 0.431 200 S N -0.309 115.457 115.700 0.111 0.000 2.399 200 S HA -0.100 4.370 4.470 0.001 0.000 0.231 200 S C 2.047 176.699 174.600 0.087 0.000 1.022 200 S CA 0.950 59.203 58.200 0.089 0.000 0.983 200 S CB -0.570 62.669 63.200 0.065 0.000 0.803 200 S HN 0.682 nan 8.310 nan 0.000 0.480 201 A N 0.707 123.585 122.820 0.097 0.000 1.855 201 A HA -0.066 4.254 4.320 0.001 0.000 0.215 201 A C 1.882 179.426 177.584 -0.067 0.000 1.191 201 A CA 1.336 53.386 52.037 0.021 0.000 0.613 201 A CB -1.034 17.970 19.000 0.007 0.000 0.829 201 A HN 0.511 nan 8.150 nan 0.000 0.442 202 Y N -0.443 119.822 120.300 -0.058 0.000 2.181 202 Y HA -0.267 4.283 4.550 0.001 0.000 0.288 202 Y C 2.910 178.806 175.900 -0.008 0.000 1.146 202 Y CA 1.313 59.384 58.100 -0.049 0.000 1.164 202 Y CB -0.871 37.576 38.460 -0.021 0.000 0.982 202 Y HN 0.385 nan 8.280 nan 0.000 0.515 203 C N -0.672 118.724 119.300 0.161 0.000 2.429 203 C HA -0.182 4.279 4.460 0.001 0.000 0.277 203 C C 3.018 178.043 174.990 0.058 0.000 1.262 203 C CA 0.976 60.053 59.018 0.098 0.000 1.733 203 C CB -1.505 26.288 27.740 0.089 0.000 2.010 203 C HN 0.637 nan 8.230 nan 0.000 0.483 204 A N 1.302 124.149 122.820 0.045 0.000 1.940 204 A HA -0.190 4.131 4.320 0.001 0.000 0.219 204 A C 2.288 179.878 177.584 0.011 0.000 1.176 204 A CA 2.493 54.545 52.037 0.026 0.000 0.631 204 A CB -0.837 18.178 19.000 0.024 0.000 0.814 204 A HN 0.728 nan 8.150 nan 0.000 0.446 205 S N -0.285 115.413 115.700 -0.002 0.000 2.406 205 S HA 0.179 4.649 4.470 0.001 0.000 0.228 205 S C 1.828 176.428 174.600 0.001 0.000 1.020 205 S CA 1.043 59.236 58.200 -0.012 0.000 0.965 205 S CB -0.428 62.746 63.200 -0.044 0.000 0.798 205 S HN 0.907 nan 8.310 nan 0.000 0.488 206 A N 0.740 123.573 122.820 0.022 0.000 2.251 206 A HA 0.574 4.894 4.320 0.001 0.000 0.209 206 A C 1.719 179.311 177.584 0.013 0.000 1.187 206 A CA 0.472 52.523 52.037 0.023 0.000 0.823 206 A CB -1.116 17.912 19.000 0.046 0.000 0.846 206 A HN 1.513 nan 8.150 nan 0.000 0.486 207 G N -0.506 108.301 108.800 0.011 0.000 2.160 207 G HA2 -0.234 3.726 3.960 0.001 0.000 0.251 207 G HA3 -0.234 3.726 3.960 0.001 0.000 0.251 207 G C 0.019 174.926 174.900 0.011 0.000 1.008 207 G CA 0.396 45.500 45.100 0.007 0.000 0.724 207 G HN 0.508 nan 8.290 nan 0.000 0.514 208 I N 1.349 121.932 120.570 0.023 0.000 2.325 208 I HA 0.271 4.441 4.170 0.001 0.000 0.291 208 I C -1.813 174.322 176.117 0.031 0.000 1.019 208 I CA -2.383 58.933 61.300 0.027 0.000 1.302 208 I CB 1.313 39.336 38.000 0.038 0.000 1.401 208 I HN -0.144 nan 8.210 nan 0.000 0.485 209 P HA -0.019 nan 4.420 nan 0.000 0.265 209 P C -0.623 176.702 177.300 0.042 0.000 1.193 209 P CA 0.120 63.229 63.100 0.016 0.000 0.765 209 P CB 0.622 32.315 31.700 -0.011 0.000 0.823 210 S N 3.067 118.797 115.700 0.050 0.000 2.519 210 S HA 0.661 5.132 4.470 0.001 0.000 0.309 210 S C -0.800 173.831 174.600 0.052 0.000 1.100 210 S CA -0.698 57.538 58.200 0.061 0.000 1.059 210 S CB -0.020 63.219 63.200 0.064 0.000 1.008 210 S HN 0.196 nan 8.310 nan 0.000 0.478 211 I N 4.296 124.877 120.570 0.018 0.000 2.465 211 I HA 0.471 4.642 4.170 0.001 0.000 0.291 211 I C -0.966 175.032 176.117 -0.200 0.000 1.014 211 I CA -0.957 60.278 61.300 -0.108 0.000 1.093 211 I CB 2.216 40.091 38.000 -0.208 0.000 1.267 211 I HN 0.291 nan 8.210 nan 0.000 0.431 212 V N 6.375 126.129 119.914 -0.267 0.000 2.350 212 V HA 0.372 4.493 4.120 0.001 0.000 0.285 212 V C -0.530 175.389 176.094 -0.293 0.000 1.014 212 V CA -0.521 61.669 62.300 -0.183 0.000 0.831 212 V CB 0.844 32.619 31.823 -0.080 0.000 1.000 212 V HN 0.375 nan 8.190 nan 0.000 0.433 213 F N 5.804 125.740 119.950 -0.023 0.000 2.424 213 F HA 0.655 5.182 4.527 0.001 0.000 0.356 213 F C 0.169 175.926 175.800 -0.072 0.000 1.110 213 F CA -0.241 57.730 58.000 -0.048 0.000 1.161 213 F CB 0.737 39.700 39.000 -0.062 0.000 1.115 213 F HN 0.204 nan 8.300 nan 0.000 0.507 214 L N 4.578 125.845 121.223 0.073 0.000 2.466 214 L HA 0.479 4.819 4.340 0.001 0.000 0.258 214 L C -2.639 174.241 176.870 0.017 0.000 0.973 214 L CA -2.385 52.469 54.840 0.023 0.000 0.826 214 L CB 3.099 45.162 42.059 0.006 0.000 1.372 214 L HN 0.269 nan 8.230 nan 0.000 0.409 215 P HA 0.084 nan 4.420 nan 0.000 0.271 215 P C 0.106 177.419 177.300 0.021 0.000 1.216 215 P CA -0.109 63.007 63.100 0.026 0.000 0.771 215 P CB 1.067 32.800 31.700 0.055 0.000 0.864 216 A N 4.177 127.004 122.820 0.013 0.000 2.024 216 A HA -0.224 4.096 4.320 0.001 0.000 0.220 216 A C 1.762 179.350 177.584 0.008 0.000 1.164 216 A CA 1.869 53.907 52.037 0.002 0.000 0.643 216 A CB -1.090 17.909 19.000 -0.001 0.000 0.806 216 A HN 0.678 nan 8.150 nan 0.000 0.451 217 N N -0.416 118.296 118.700 0.019 0.000 2.376 217 N HA -0.063 4.678 4.740 0.001 0.000 0.177 217 N C 0.980 176.507 175.510 0.028 0.000 1.024 217 N CA 1.052 54.115 53.050 0.022 0.000 0.893 217 N CB -0.351 38.152 38.487 0.026 0.000 0.980 217 N HN 0.444 nan 8.380 nan 0.000 0.439 218 K N 0.321 120.744 120.400 0.039 0.000 2.437 218 K HA 0.215 4.535 4.320 0.001 0.000 0.198 218 K C -0.085 176.535 176.600 0.034 0.000 1.024 218 K CA -0.271 56.044 56.287 0.048 0.000 1.148 218 K CB 0.406 32.955 32.500 0.082 0.000 0.860 218 K HN 0.150 nan 8.250 nan 0.000 0.515 219 I N 1.580 122.160 120.570 0.017 0.000 2.452 219 I HA -0.006 4.165 4.170 0.001 0.000 0.287 219 I C 0.413 176.531 176.117 0.002 0.000 1.079 219 I CA 0.407 61.708 61.300 0.002 0.000 1.387 219 I CB 0.854 38.846 38.000 -0.013 0.000 1.404 219 I HN -0.078 nan 8.210 nan 0.000 0.522 220 S N 6.893 122.594 115.700 0.001 0.000 2.502 220 S HA 0.374 4.844 4.470 0.001 0.000 0.304 220 S C 0.953 175.547 174.600 -0.010 0.000 1.097 220 S CA -0.707 57.492 58.200 -0.001 0.000 1.045 220 S CB 1.188 64.391 63.200 0.004 0.000 1.019 220 S HN 0.469 nan 8.310 nan 0.000 0.481 221 M N 3.461 123.054 119.600 -0.012 0.000 2.229 221 M HA 0.017 4.498 4.480 0.001 0.000 0.264 221 M C 2.156 178.446 176.300 -0.017 0.000 1.063 221 M CA 1.569 56.859 55.300 -0.016 0.000 1.114 221 M CB -1.728 30.863 32.600 -0.016 0.000 1.387 221 M HN 0.837 nan 8.290 nan 0.000 0.420 222 A N -0.334 122.477 122.820 -0.016 0.000 1.874 222 A HA -0.141 4.179 4.320 0.001 0.000 0.214 222 A C 2.080 179.647 177.584 -0.028 0.000 1.189 222 A CA 1.065 53.089 52.037 -0.021 0.000 0.615 222 A CB -0.581 18.408 19.000 -0.018 0.000 0.830 222 A HN 0.530 nan 8.150 nan 0.000 0.443 223 Q N -0.632 119.155 119.800 -0.023 0.000 2.124 223 Q HA -0.032 4.308 4.340 0.001 0.000 0.202 223 Q C 1.255 177.243 176.000 -0.020 0.000 0.977 223 Q CA 1.157 56.945 55.803 -0.025 0.000 0.850 223 Q CB -0.198 28.536 28.738 -0.006 0.000 0.901 223 Q HN 0.613 nan 8.270 nan 0.000 0.429 224 L N 0.198 121.412 121.223 -0.015 0.000 2.653 224 L HA 0.042 4.382 4.340 0.001 0.000 0.231 224 L C 1.746 178.608 176.870 -0.014 0.000 1.153 224 L CA -0.314 54.518 54.840 -0.013 0.000 0.933 224 L CB 0.318 42.367 42.059 -0.017 0.000 1.175 224 L HN 0.065 nan 8.230 nan 0.000 0.473 225 V N 0.037 119.940 119.914 -0.018 0.000 2.453 225 V HA -0.348 3.773 4.120 0.001 0.000 0.252 225 V C 2.219 178.307 176.094 -0.009 0.000 1.068 225 V CA 2.086 64.376 62.300 -0.017 0.000 1.070 225 V CB 0.059 31.869 31.823 -0.023 0.000 0.664 225 V HN 0.630 nan 8.190 nan 0.000 0.461 226 Q N -0.535 119.263 119.800 -0.003 0.000 2.008 226 Q HA -0.059 4.282 4.340 0.001 0.000 0.196 226 Q C 0.045 176.058 176.000 0.021 0.000 0.973 226 Q CA 1.850 57.660 55.803 0.012 0.000 0.826 226 Q CB -1.021 27.732 28.738 0.024 0.000 0.894 226 Q HN 0.541 nan 8.270 nan 0.000 0.439 227 P HA -0.169 nan 4.420 nan 0.000 0.216 227 P C 1.080 178.387 177.300 0.011 0.000 1.150 227 P CA 1.067 64.180 63.100 0.021 0.000 0.837 227 P CB -0.032 31.676 31.700 0.014 0.000 0.786 228 I N -0.125 120.444 120.570 -0.002 0.000 2.127 228 I HA -0.231 3.940 4.170 0.001 0.000 0.241 228 I C 2.202 178.320 176.117 0.001 0.000 1.075 228 I CA 2.005 63.299 61.300 -0.010 0.000 1.334 228 I CB -1.771 36.218 38.000 -0.019 0.000 1.040 228 I HN -0.062 nan 8.210 nan 0.000 0.405 229 A N 0.567 123.389 122.820 0.003 0.000 1.969 229 A HA -0.175 4.145 4.320 0.001 0.000 0.218 229 A C 1.914 179.507 177.584 0.015 0.000 1.169 229 A CA 1.513 53.553 52.037 0.006 0.000 0.635 229 A CB -1.077 17.924 19.000 0.002 0.000 0.810 229 A HN 0.563 nan 8.150 nan 0.000 0.445 230 N N -0.490 118.224 118.700 0.024 0.000 2.515 230 N HA 0.248 4.989 4.740 0.001 0.000 0.191 230 N C 0.741 176.271 175.510 0.033 0.000 1.182 230 N CA 0.328 53.398 53.050 0.032 0.000 0.879 230 N CB -0.001 38.513 38.487 0.044 0.000 0.984 230 N HN 0.595 nan 8.380 nan 0.000 0.453 231 G N 0.506 109.325 108.800 0.031 0.000 2.256 231 G HA2 -0.253 3.708 3.960 0.001 0.000 0.272 231 G HA3 -0.253 3.708 3.960 0.001 0.000 0.272 231 G C -0.065 174.871 174.900 0.060 0.000 1.076 231 G CA 0.129 45.254 45.100 0.042 0.000 0.882 231 G HN 0.465 nan 8.290 nan 0.000 0.497 232 A N -0.307 122.545 122.820 0.053 0.000 2.309 232 A HA 0.707 5.028 4.320 0.001 0.000 0.298 232 A C -0.062 177.575 177.584 0.087 0.000 1.165 232 A CA -0.639 51.438 52.037 0.066 0.000 0.821 232 A CB 0.635 19.656 19.000 0.036 0.000 1.102 232 A HN 1.113 nan 8.150 nan 0.000 0.500 233 F N 3.889 123.798 119.950 -0.069 0.000 2.541 233 F HA 0.339 4.866 4.527 0.001 0.000 0.347 233 F C 0.055 175.770 175.800 -0.142 0.000 1.242 233 F CA 0.015 57.958 58.000 -0.094 0.000 1.123 233 F CB 0.244 39.184 39.000 -0.100 0.000 1.354 233 F HN 0.253 nan 8.300 nan 0.000 0.621 234 V N 7.578 127.294 119.914 -0.331 0.000 2.406 234 V HA 0.208 4.328 4.120 0.001 0.000 0.272 234 V C 0.173 176.025 176.094 -0.403 0.000 1.043 234 V CA -0.674 61.450 62.300 -0.294 0.000 0.915 234 V CB 1.165 32.882 31.823 -0.177 0.000 0.988 234 V HN 0.430 nan 8.190 nan 0.000 0.466 235 L N 4.358 125.380 121.223 -0.335 0.000 2.272 235 L HA 0.447 4.788 4.340 0.001 0.000 0.289 235 L C 0.293 177.085 176.870 -0.131 0.000 1.032 235 L CA -0.039 54.643 54.840 -0.263 0.000 0.810 235 L CB 1.693 43.626 42.059 -0.211 0.000 1.205 235 L HN 0.567 nan 8.230 nan 0.000 0.422 236 S N 4.993 120.628 115.700 -0.110 0.000 2.404 236 S HA 0.536 5.006 4.470 0.001 0.000 0.309 236 S C -0.136 174.450 174.600 -0.024 0.000 1.076 236 S CA -0.427 57.740 58.200 -0.055 0.000 1.095 236 S CB 0.202 63.368 63.200 -0.058 0.000 0.972 236 S HN 0.329 nan 8.310 nan 0.000 0.484 237 I N 2.078 122.649 120.570 0.002 0.000 2.377 237 I HA 0.233 4.404 4.170 0.001 0.000 0.293 237 I C 0.215 176.340 176.117 0.013 0.000 0.987 237 I CA -0.677 60.633 61.300 0.017 0.000 1.185 237 I CB 1.256 39.281 38.000 0.040 0.000 1.341 237 I HN 0.350 nan 8.210 nan 0.000 0.455 238 D N 5.378 125.785 120.400 0.012 0.000 2.885 238 D HA 0.120 4.760 4.640 0.001 0.000 0.234 238 D C -0.208 176.100 176.300 0.014 0.000 1.129 238 D CA 0.245 54.251 54.000 0.011 0.000 0.991 238 D CB -0.011 40.794 40.800 0.009 0.000 1.137 238 D HN 0.717 nan 8.370 nan 0.000 0.459 239 T N -1.946 112.618 114.554 0.017 0.000 2.647 239 T HA 0.318 4.668 4.350 0.001 0.000 0.295 239 T C -0.170 174.551 174.700 0.034 0.000 1.126 239 T CA -1.108 61.004 62.100 0.020 0.000 1.040 239 T CB 1.315 70.189 68.868 0.011 0.000 1.472 239 T HN 0.120 nan 8.240 nan 0.000 0.500 240 D N -0.405 120.022 120.400 0.045 0.000 2.530 240 D HA 0.251 4.892 4.640 0.001 0.000 0.282 240 D C 0.862 177.228 176.300 0.109 0.000 1.204 240 D CA -0.801 53.251 54.000 0.086 0.000 1.093 240 D CB 0.494 41.348 40.800 0.090 0.000 1.154 240 D HN 0.310 nan 8.370 nan 0.000 0.593 241 F N 0.556 120.508 119.950 0.004 0.000 2.134 241 F HA -0.153 4.374 4.527 0.001 0.000 0.299 241 F C 1.879 177.675 175.800 -0.007 0.000 1.097 241 F CA 1.625 59.627 58.000 0.003 0.000 1.264 241 F CB -0.037 38.965 39.000 0.004 0.000 1.001 241 F HN 0.145 nan 8.300 nan 0.000 0.479 242 D N -0.469 120.027 120.400 0.159 0.000 2.183 242 D HA -0.060 4.580 4.640 0.001 0.000 0.203 242 D C 2.445 178.733 176.300 -0.019 0.000 0.969 242 D CA 1.214 55.251 54.000 0.061 0.000 0.842 242 D CB -0.897 39.949 40.800 0.077 0.000 0.957 242 D HN 0.407 nan 8.370 nan 0.000 0.484 243 G N 0.093 108.886 108.800 -0.012 0.000 2.432 243 G HA2 -0.238 3.722 3.960 0.001 0.000 0.219 243 G HA3 -0.238 3.722 3.960 0.001 0.000 0.219 243 G C 1.857 176.716 174.900 -0.068 0.000 1.135 243 G CA 0.778 45.861 45.100 -0.029 0.000 0.767 243 G HN 0.310 nan 8.290 nan 0.000 0.550 244 C N 0.692 119.928 119.300 -0.106 0.000 2.476 244 C HA 0.059 4.520 4.460 0.001 0.000 0.278 244 C C 2.976 177.837 174.990 -0.214 0.000 1.274 244 C CA 0.813 59.743 59.018 -0.147 0.000 1.713 244 C CB -0.553 27.082 27.740 -0.176 0.000 2.039 244 C HN 0.377 nan 8.230 nan 0.000 0.484 245 M N 1.192 120.650 119.600 -0.236 0.000 2.213 245 M HA -0.125 4.356 4.480 0.001 0.000 0.263 245 M C 2.066 178.256 176.300 -0.184 0.000 1.062 245 M CA 1.414 56.577 55.300 -0.228 0.000 1.105 245 M CB -1.491 30.994 32.600 -0.191 0.000 1.385 245 M HN 0.485 nan 8.290 nan 0.000 0.417 246 K N 0.204 120.523 120.400 -0.136 0.000 2.097 246 K HA -0.110 4.210 4.320 0.001 0.000 0.205 246 K C 2.021 178.544 176.600 -0.129 0.000 1.050 246 K CA 0.777 56.999 56.287 -0.109 0.000 0.938 246 K CB 0.103 32.562 32.500 -0.069 0.000 0.718 246 K HN 0.178 nan 8.250 nan 0.000 0.442 247 L N 1.512 122.646 121.223 -0.149 0.000 2.072 247 L HA -0.055 4.286 4.340 0.001 0.000 0.205 247 L C 2.087 178.805 176.870 -0.253 0.000 1.079 247 L CA 1.354 56.101 54.840 -0.155 0.000 0.752 247 L CB -0.545 41.445 42.059 -0.114 0.000 0.906 247 L HN 0.256 nan 8.230 nan 0.000 0.436 248 I N -0.742 119.594 120.570 -0.391 0.000 2.286 248 I HA -0.296 3.874 4.170 0.001 0.000 0.248 248 I C 2.692 178.605 176.117 -0.340 0.000 1.115 248 I CA 0.802 61.768 61.300 -0.556 0.000 1.392 248 I CB -0.464 37.141 38.000 -0.657 0.000 1.065 248 I HN 0.255 nan 8.210 nan 0.000 0.418 249 R N 1.345 121.695 120.500 -0.250 0.000 2.105 249 R HA -0.195 4.145 4.340 0.001 0.000 0.239 249 R C 1.963 178.182 176.300 -0.134 0.000 1.135 249 R CA 1.721 57.713 56.100 -0.180 0.000 0.967 249 R CB -0.127 30.088 30.300 -0.143 0.000 0.861 249 R HN 0.486 nan 8.270 nan 0.000 0.442 250 E N -0.171 119.954 120.200 -0.125 0.000 2.152 250 E HA -0.111 4.239 4.350 0.001 0.000 0.192 250 E C 1.917 178.476 176.600 -0.069 0.000 0.983 250 E CA 0.687 57.038 56.400 -0.082 0.000 0.818 250 E CB 0.116 29.776 29.700 -0.066 0.000 0.758 250 E HN 0.292 nan 8.360 nan 0.000 0.467 251 I N 1.069 121.580 120.570 -0.098 0.000 2.339 251 I HA -0.140 4.030 4.170 0.001 0.000 0.245 251 I C 2.620 178.715 176.117 -0.037 0.000 1.096 251 I CA 1.398 62.666 61.300 -0.053 0.000 1.408 251 I CB -1.648 36.322 38.000 -0.051 0.000 1.092 251 I HN 0.132 nan 8.210 nan 0.000 0.423 252 T N -0.416 114.091 114.554 -0.079 0.000 3.051 252 T HA 0.083 4.434 4.350 0.001 0.000 0.269 252 T C 1.742 176.428 174.700 -0.022 0.000 1.127 252 T CA 0.873 62.946 62.100 -0.045 0.000 1.107 252 T CB -0.278 68.533 68.868 -0.095 0.000 0.898 252 T HN 0.284 nan 8.240 nan 0.000 0.517 253 A N 0.797 123.597 122.820 -0.033 0.000 2.132 253 A HA 0.164 4.485 4.320 0.001 0.000 0.213 253 A C 2.309 179.891 177.584 -0.003 0.000 1.154 253 A CA 0.290 52.316 52.037 -0.018 0.000 0.753 253 A CB -0.005 18.978 19.000 -0.028 0.000 0.826 253 A HN 0.446 nan 8.150 nan 0.000 0.469 254 E N -0.785 119.415 120.200 0.000 0.000 2.280 254 E HA 0.259 4.610 4.350 0.001 0.000 0.197 254 E C -0.058 176.554 176.600 0.021 0.000 0.913 254 E CA 0.091 56.497 56.400 0.010 0.000 0.995 254 E CB -0.022 29.683 29.700 0.009 0.000 0.991 254 E HN 0.437 nan 8.360 nan 0.000 0.484 255 L N 3.701 124.941 121.223 0.028 0.000 2.307 255 L HA 0.276 4.616 4.340 0.001 0.000 0.282 255 L C -2.245 174.658 176.870 0.055 0.000 1.051 255 L CA -1.942 52.924 54.840 0.043 0.000 0.804 255 L CB 1.353 43.444 42.059 0.054 0.000 1.197 255 L HN -0.118 nan 8.230 nan 0.000 0.431 256 P HA 0.245 nan 4.420 nan 0.000 0.247 256 P C -0.619 176.752 177.300 0.118 0.000 1.756 256 P CA 0.062 63.212 63.100 0.085 0.000 1.117 256 P CB -0.206 31.540 31.700 0.076 0.000 1.869 257 I N 2.968 123.615 120.570 0.129 0.000 2.321 257 I HA 0.228 4.399 4.170 0.001 0.000 0.291 257 I C 0.381 176.628 176.117 0.216 0.000 0.998 257 I CA -1.193 60.210 61.300 0.172 0.000 1.227 257 I CB 0.847 38.956 38.000 0.180 0.000 1.368 257 I HN 0.173 nan 8.210 nan 0.000 0.466 258 Y N 7.149 127.535 120.300 0.143 0.000 2.465 258 Y HA 0.311 4.862 4.550 0.001 0.000 0.331 258 Y C -0.385 175.639 175.900 0.206 0.000 1.102 258 Y CA 0.070 58.286 58.100 0.193 0.000 1.358 258 Y CB 0.564 39.102 38.460 0.130 0.000 1.213 258 Y HN 0.420 nan 8.280 nan 0.000 0.525 259 L N 6.055 127.262 121.223 -0.028 0.000 2.292 259 L HA 0.569 4.910 4.340 0.001 0.000 0.284 259 L C -0.241 176.658 176.870 0.049 0.000 1.065 259 L CA -0.623 54.195 54.840 -0.037 0.000 0.806 259 L CB 1.068 42.921 42.059 -0.344 0.000 1.175 259 L HN 0.773 nan 8.230 nan 0.000 0.431 260 A N 4.459 127.353 122.820 0.124 0.000 2.271 260 A HA 0.691 5.012 4.320 0.001 0.000 0.317 260 A C -0.708 176.915 177.584 0.065 0.000 1.245 260 A CA -0.560 51.563 52.037 0.143 0.000 0.857 260 A CB 0.296 19.396 19.000 0.166 0.000 1.175 260 A HN 0.788 nan 8.150 nan 0.000 0.512 261 N N 0.244 118.976 118.700 0.052 0.000 3.243 261 N HA 0.184 4.925 4.740 0.001 0.000 0.280 261 N C 0.623 176.156 175.510 0.039 0.000 1.545 261 N CA -0.024 53.041 53.050 0.025 0.000 0.854 261 N CB 0.171 38.640 38.487 -0.030 0.000 1.612 261 N HN 0.368 nan 8.380 nan 0.000 0.577 262 S N -0.396 115.324 115.700 0.034 0.000 2.419 262 S HA -0.053 4.417 4.470 0.001 0.000 0.233 262 S C 1.745 176.365 174.600 0.033 0.000 1.016 262 S CA 0.696 58.921 58.200 0.042 0.000 0.974 262 S CB -0.720 62.507 63.200 0.046 0.000 0.786 262 S HN 0.504 nan 8.310 nan 0.000 0.492 263 L N 1.478 122.713 121.223 0.019 0.000 2.291 263 L HA 0.045 4.386 4.340 0.001 0.000 0.214 263 L C 1.397 178.287 176.870 0.033 0.000 1.120 263 L CA 0.362 55.208 54.840 0.010 0.000 0.799 263 L CB -0.928 41.130 42.059 -0.001 0.000 0.925 263 L HN 0.402 nan 8.230 nan 0.000 0.446 264 N N 1.137 119.876 118.700 0.064 0.000 2.411 264 N HA -0.094 4.646 4.740 0.001 0.000 0.265 264 N C 1.071 176.647 175.510 0.109 0.000 1.266 264 N CA 0.482 53.591 53.050 0.098 0.000 0.889 264 N CB 0.949 39.519 38.487 0.139 0.000 1.069 264 N HN 0.160 nan 8.380 nan 0.000 0.476 265 S N 3.320 119.099 115.700 0.133 0.000 2.524 265 S HA -0.045 4.425 4.470 0.001 0.000 0.216 265 S C 1.704 176.432 174.600 0.213 0.000 0.987 265 S CA -0.270 58.039 58.200 0.180 0.000 0.909 265 S CB 0.153 63.480 63.200 0.212 0.000 0.781 265 S HN 0.519 nan 8.310 nan 0.000 0.521 266 L N 3.201 124.569 121.223 0.242 0.000 2.156 266 L HA 0.150 4.491 4.340 0.001 0.000 0.208 266 L C 2.630 179.556 176.870 0.093 0.000 1.095 266 L CA 1.417 56.373 54.840 0.193 0.000 0.770 266 L CB -0.576 41.630 42.059 0.245 0.000 0.914 266 L HN 0.472 nan 8.230 nan 0.000 0.439 267 R N -0.956 119.595 120.500 0.085 0.000 2.148 267 R HA -0.088 4.252 4.340 0.001 0.000 0.223 267 R C 1.940 178.245 176.300 0.008 0.000 1.088 267 R CA 1.299 57.410 56.100 0.020 0.000 0.985 267 R CB -0.866 29.446 30.300 0.020 0.000 0.880 267 R HN 0.353 nan 8.270 nan 0.000 0.451 268 L N 1.101 122.359 121.223 0.059 0.000 2.201 268 L HA -0.071 4.269 4.340 0.001 0.000 0.212 268 L C 2.192 179.056 176.870 -0.011 0.000 1.105 268 L CA 0.946 55.822 54.840 0.060 0.000 0.775 268 L CB -0.397 41.748 42.059 0.143 0.000 0.913 268 L HN 0.170 nan 8.230 nan 0.000 0.440 269 E N 0.421 120.617 120.200 -0.007 0.000 2.153 269 E HA -0.134 4.217 4.350 0.001 0.000 0.194 269 E C 2.181 178.680 176.600 -0.168 0.000 0.988 269 E CA 1.291 57.664 56.400 -0.045 0.000 0.811 269 E CB -0.273 29.434 29.700 0.012 0.000 0.746 269 E HN 0.510 nan 8.360 nan 0.000 0.466 270 G N 0.892 109.571 108.800 -0.203 0.000 2.395 270 G HA2 -0.245 3.716 3.960 0.001 0.000 0.214 270 G HA3 -0.245 3.716 3.960 0.001 0.000 0.214 270 G C 1.529 176.275 174.900 -0.256 0.000 1.177 270 G CA 0.230 45.146 45.100 -0.305 0.000 0.794 270 G HN 0.222 nan 8.290 nan 0.000 0.532 271 Q N 0.489 120.189 119.800 -0.167 0.000 2.181 271 Q HA -0.146 4.195 4.340 0.001 0.000 0.205 271 Q C 2.480 178.254 176.000 -0.377 0.000 0.980 271 Q CA 1.562 57.276 55.803 -0.147 0.000 0.862 271 Q CB -0.170 28.586 28.738 0.030 0.000 0.905 271 Q HN 0.714 nan 8.270 nan 0.000 0.429 272 K N 0.352 120.549 120.400 -0.339 0.000 2.283 272 K HA -0.093 4.228 4.320 0.001 0.000 0.202 272 K C 1.839 178.153 176.600 -0.477 0.000 1.048 272 K CA 1.686 57.715 56.287 -0.430 0.000 0.948 272 K CB -0.366 31.965 32.500 -0.281 0.000 0.742 272 K HN 0.122 nan 8.250 nan 0.000 0.458 273 T N -2.127 112.183 114.554 -0.407 0.000 3.051 273 T HA 0.092 4.442 4.350 0.001 0.000 0.269 273 T C 2.018 176.476 174.700 -0.404 0.000 1.127 273 T CA 0.619 62.481 62.100 -0.396 0.000 1.107 273 T CB -0.075 68.555 68.868 -0.398 0.000 0.898 273 T HN 0.320 nan 8.240 nan 0.000 0.517 274 A N 1.453 123.982 122.820 -0.486 0.000 1.929 274 A HA 0.457 4.778 4.320 0.001 0.000 0.216 274 A C 2.783 180.132 177.584 -0.392 0.000 1.176 274 A CA 1.380 53.171 52.037 -0.410 0.000 0.628 274 A CB -1.253 17.468 19.000 -0.465 0.000 0.816 274 A HN 0.704 nan 8.150 nan 0.000 0.444 275 A N 0.351 122.744 122.820 -0.713 0.000 1.855 275 A HA -0.076 4.245 4.320 0.001 0.000 0.215 275 A C 2.088 179.360 177.584 -0.521 0.000 1.191 275 A CA 1.497 53.003 52.037 -0.886 0.000 0.613 275 A CB -0.679 17.387 19.000 -1.557 0.000 0.829 275 A HN 0.481 nan 8.150 nan 0.000 0.442 276 I N -0.539 119.799 120.570 -0.386 0.000 2.163 276 I HA -0.306 3.864 4.170 0.001 0.000 0.243 276 I C 2.564 178.560 176.117 -0.202 0.000 1.085 276 I CA 1.993 63.196 61.300 -0.162 0.000 1.347 276 I CB -0.449 37.439 38.000 -0.185 0.000 1.044 276 I HN 0.531 nan 8.210 nan 0.000 0.408 277 E N 1.497 121.542 120.200 -0.258 0.000 2.058 277 E HA -0.234 4.116 4.350 0.001 0.000 0.194 277 E C 2.296 178.762 176.600 -0.224 0.000 0.997 277 E CA 1.417 57.661 56.400 -0.261 0.000 0.801 277 E CB -0.075 29.491 29.700 -0.224 0.000 0.746 277 E HN 0.431 nan 8.360 nan 0.000 0.450 278 I N 0.392 120.906 120.570 -0.093 0.000 2.194 278 I HA -0.295 3.875 4.170 0.001 0.000 0.246 278 I C 2.165 178.307 176.117 0.043 0.000 1.093 278 I CA 0.585 61.900 61.300 0.024 0.000 1.355 278 I CB -0.152 38.007 38.000 0.266 0.000 1.046 278 I HN 0.229 nan 8.210 nan 0.000 0.413 279 L N 0.123 121.374 121.223 0.046 0.000 1.994 279 L HA -0.251 4.089 4.340 0.001 0.000 0.208 279 L C 2.577 179.157 176.870 -0.484 0.000 1.071 279 L CA 1.808 56.641 54.840 -0.012 0.000 0.745 279 L CB -0.962 41.209 42.059 0.187 0.000 0.892 279 L HN 0.276 nan 8.230 nan 0.000 0.431 280 Q N -0.973 118.272 119.800 -0.925 0.000 2.135 280 Q HA -0.253 4.087 4.340 0.001 0.000 0.204 280 Q C 2.114 177.680 176.000 -0.723 0.000 0.981 280 Q CA 1.647 56.636 55.803 -1.356 0.000 0.856 280 Q CB -0.002 28.144 28.738 -0.987 0.000 0.902 280 Q HN 0.569 nan 8.270 nan 0.000 0.425 281 Q N -1.158 118.340 119.800 -0.502 0.000 2.369 281 Q HA -0.079 4.261 4.340 0.001 0.000 0.206 281 Q C 0.456 176.116 176.000 -0.567 0.000 0.963 281 Q CA 0.469 55.988 55.803 -0.473 0.000 0.894 281 Q CB 0.300 28.756 28.738 -0.470 0.000 0.965 281 Q HN 0.312 nan 8.270 nan 0.000 0.475 282 F N 1.018 120.737 119.950 -0.384 0.000 2.660 282 F HA 0.088 4.615 4.527 0.001 0.000 0.297 282 F C -0.221 175.426 175.800 -0.254 0.000 1.132 282 F CA -0.338 57.459 58.000 -0.338 0.000 1.372 282 F CB 0.381 39.196 39.000 -0.308 0.000 1.003 282 F HN -0.033 nan 8.300 nan 0.000 0.524 283 D N -0.780 119.513 120.400 -0.178 0.000 2.689 283 D HA -0.286 4.355 4.640 0.001 0.000 0.237 283 D C -0.373 175.958 176.300 0.052 0.000 1.148 283 D CA 0.789 54.720 54.000 -0.116 0.000 0.656 283 D CB -1.711 39.095 40.800 0.010 0.000 1.050 283 D HN 0.609 nan 8.370 nan 0.000 0.426 284 W N -1.003 120.337 121.300 0.066 0.000 5.361 284 W HA -0.263 4.397 4.660 0.001 0.000 0.385 284 W C 0.517 177.064 176.519 0.047 0.000 1.458 284 W CA 0.244 57.630 57.345 0.068 0.000 0.922 284 W CB -2.395 27.100 29.460 0.059 0.000 2.606 284 W HN 0.254 nan 8.180 nan 0.000 1.450 285 Q N 0.050 119.938 119.800 0.146 0.000 2.322 285 Q HA 0.513 4.854 4.340 0.001 0.000 0.265 285 Q C -0.008 175.950 176.000 -0.070 0.000 0.985 285 Q CA -0.995 54.826 55.803 0.031 0.000 0.849 285 Q CB 2.388 31.104 28.738 -0.036 0.000 1.274 285 Q HN -0.038 nan 8.270 nan 0.000 0.449 286 V N 4.574 124.440 119.914 -0.081 0.000 2.470 286 V HA 0.172 4.292 4.120 0.001 0.000 0.276 286 V C -1.981 173.944 176.094 -0.283 0.000 1.040 286 V CA -1.417 60.796 62.300 -0.145 0.000 1.008 286 V CB 0.208 31.959 31.823 -0.120 0.000 0.990 286 V HN 0.650 nan 8.190 nan 0.000 0.477 287 P HA 0.165 nan 4.420 nan 0.000 0.269 287 P C 0.087 177.212 177.300 -0.293 0.000 1.215 287 P CA -0.184 62.703 63.100 -0.355 0.000 0.780 287 P CB 0.709 32.259 31.700 -0.249 0.000 0.898 288 D N 0.044 120.308 120.400 -0.228 0.000 2.149 288 D HA -0.032 4.609 4.640 0.001 0.000 0.201 288 D C -0.237 175.711 176.300 -0.587 0.000 0.972 288 D CA 1.457 55.243 54.000 -0.358 0.000 0.835 288 D CB -0.038 40.649 40.800 -0.189 0.000 0.966 288 D HN 0.421 nan 8.370 nan 0.000 0.476 289 W N -0.418 120.832 121.300 -0.084 0.000 2.998 289 W HA 0.576 5.236 4.660 0.001 0.000 0.335 289 W C -1.364 175.127 176.519 -0.046 0.000 1.110 289 W CA -0.889 56.423 57.345 -0.055 0.000 1.230 289 W CB 1.625 31.079 29.460 -0.009 0.000 1.405 289 W HN -0.476 nan 8.180 nan 0.000 0.493 290 V N 4.944 124.974 119.914 0.193 0.000 2.443 290 V HA 0.422 4.543 4.120 0.001 0.000 0.293 290 V C -0.356 175.804 176.094 0.110 0.000 1.021 290 V CA -0.866 61.513 62.300 0.131 0.000 0.848 290 V CB 1.244 33.133 31.823 0.111 0.000 0.998 290 V HN 0.395 nan 8.190 nan 0.000 0.424 291 I N 5.462 126.072 120.570 0.067 0.000 2.312 291 I HA 0.508 4.678 4.170 0.001 0.000 0.290 291 I C -0.503 175.561 176.117 -0.089 0.000 1.008 291 I CA -0.669 60.642 61.300 0.019 0.000 1.226 291 I CB 1.641 39.661 38.000 0.035 0.000 1.371 291 I HN 0.256 nan 8.210 nan 0.000 0.468 292 V N 7.887 127.731 119.914 -0.117 0.000 2.495 292 V HA 0.377 4.497 4.120 0.001 0.000 0.298 292 V C -2.283 173.753 176.094 -0.097 0.000 1.031 292 V CA -2.064 60.109 62.300 -0.211 0.000 0.871 292 V CB 1.738 33.377 31.823 -0.307 0.000 0.988 292 V HN 0.539 nan 8.190 nan 0.000 0.432 293 P HA 0.244 nan 4.420 nan 0.000 0.268 293 P C 0.078 177.378 177.300 0.001 0.000 1.204 293 P CA 0.257 63.341 63.100 -0.026 0.000 0.768 293 P CB 0.601 32.294 31.700 -0.012 0.000 0.842 294 G N 1.662 110.487 108.800 0.042 0.000 2.938 294 G HA2 0.486 4.446 3.960 0.001 0.000 0.308 294 G HA3 0.486 4.446 3.960 0.001 0.000 0.308 294 G C 0.533 175.484 174.900 0.084 0.000 1.422 294 G CA -0.400 44.742 45.100 0.071 0.000 1.071 294 G HN 0.567 nan 8.290 nan 0.000 0.530 295 G N 2.387 111.240 108.800 0.089 0.000 2.834 295 G HA2 0.021 3.981 3.960 0.001 0.000 0.204 295 G HA3 0.021 3.981 3.960 0.001 0.000 0.204 295 G C 1.440 176.394 174.900 0.091 0.000 1.176 295 G CA 0.644 45.799 45.100 0.092 0.000 0.818 295 G HN 0.578 nan 8.290 nan 0.000 0.638 296 N N 1.017 119.778 118.700 0.101 0.000 2.120 296 N HA -0.060 4.680 4.740 0.001 0.000 0.188 296 N C 1.492 177.059 175.510 0.096 0.000 1.024 296 N CA 1.498 54.610 53.050 0.103 0.000 0.852 296 N CB -0.372 38.195 38.487 0.133 0.000 1.003 296 N HN 0.406 nan 8.380 nan 0.000 0.424 297 L N -2.795 118.496 121.223 0.112 0.000 4.982 297 L HA -0.225 4.115 4.340 0.001 0.000 0.402 297 L C 1.617 178.565 176.870 0.129 0.000 0.863 297 L CA 0.757 55.663 54.840 0.112 0.000 1.876 297 L CB -1.837 40.273 42.059 0.085 0.000 1.554 297 L HN 0.474 nan 8.230 nan 0.000 0.603 298 G N -0.205 108.679 108.800 0.139 0.000 2.421 298 G HA2 -0.145 3.815 3.960 0.001 0.000 0.217 298 G HA3 -0.145 3.815 3.960 0.001 0.000 0.217 298 G C 1.034 176.098 174.900 0.274 0.000 1.143 298 G CA 1.155 46.362 45.100 0.178 0.000 0.784 298 G HN 0.653 nan 8.290 nan 0.000 0.541 299 N N 0.198 119.065 118.700 0.278 0.000 2.058 299 N HA -0.112 4.628 4.740 0.001 0.000 0.191 299 N C 2.099 177.845 175.510 0.394 0.000 1.037 299 N CA 0.997 54.249 53.050 0.337 0.000 0.848 299 N CB -0.135 38.498 38.487 0.243 0.000 1.021 299 N HN 0.265 nan 8.380 nan 0.000 0.422 300 I N 0.441 121.183 120.570 0.286 0.000 2.264 300 I HA -0.305 3.866 4.170 0.001 0.000 0.248 300 I C 2.052 178.398 176.117 0.381 0.000 1.111 300 I CA 1.247 62.716 61.300 0.281 0.000 1.382 300 I CB -0.182 37.928 38.000 0.183 0.000 1.060 300 I HN 0.187 nan 8.210 nan 0.000 0.418 301 Y N 1.118 121.555 120.300 0.229 0.000 2.200 301 Y HA -0.143 4.408 4.550 0.001 0.000 0.290 301 Y C 2.367 178.432 175.900 0.275 0.000 1.137 301 Y CA 1.421 59.671 58.100 0.249 0.000 1.163 301 Y CB -0.757 37.787 38.460 0.139 0.000 0.988 301 Y HN 0.218 nan 8.280 nan 0.000 0.518 302 A N -0.122 122.804 122.820 0.177 0.000 1.883 302 A HA -0.192 4.128 4.320 0.001 0.000 0.217 302 A C 2.111 179.612 177.584 -0.138 0.000 1.186 302 A CA 1.837 53.857 52.037 -0.029 0.000 0.624 302 A CB -1.495 17.512 19.000 0.013 0.000 0.822 302 A HN 0.503 nan 8.150 nan 0.000 0.444 303 F N -1.693 118.232 119.950 -0.042 0.000 2.095 303 F HA -0.185 4.342 4.527 0.001 0.000 0.298 303 F C 2.269 178.048 175.800 -0.036 0.000 1.104 303 F CA 1.947 59.876 58.000 -0.118 0.000 1.232 303 F CB -0.804 38.223 39.000 0.046 0.000 0.987 303 F HN 0.447 nan 8.300 nan 0.000 0.475 304 Y N 1.050 121.480 120.300 0.216 0.000 2.128 304 Y HA -0.281 4.270 4.550 0.001 0.000 0.284 304 Y C 2.420 178.327 175.900 0.012 0.000 1.154 304 Y CA 1.994 60.200 58.100 0.177 0.000 1.149 304 Y CB -0.579 37.950 38.460 0.115 0.000 0.976 304 Y HN -0.037 nan 8.280 nan 0.000 0.505 305 K N -0.418 119.802 120.400 -0.299 0.000 2.097 305 K HA -0.124 4.196 4.320 0.001 0.000 0.206 305 K C 2.279 178.679 176.600 -0.333 0.000 1.049 305 K CA 1.298 57.340 56.287 -0.408 0.000 0.933 305 K CB -0.650 31.610 32.500 -0.402 0.000 0.717 305 K HN 0.529 nan 8.250 nan 0.000 0.442 306 G N -0.024 108.581 108.800 -0.325 0.000 2.394 306 G HA2 -0.186 3.774 3.960 0.001 0.000 0.214 306 G HA3 -0.186 3.774 3.960 0.001 0.000 0.214 306 G C 1.160 175.931 174.900 -0.215 0.000 1.176 306 G CA 0.361 45.271 45.100 -0.317 0.000 0.786 306 G HN 0.173 nan 8.290 nan 0.000 0.533 307 F N 1.122 121.015 119.950 -0.094 0.000 2.134 307 F HA 0.082 4.610 4.527 0.001 0.000 0.299 307 F C 2.524 178.244 175.800 -0.132 0.000 1.097 307 F CA 1.322 59.288 58.000 -0.056 0.000 1.264 307 F CB -0.310 38.674 39.000 -0.027 0.000 1.001 307 F HN 0.049 nan 8.300 nan 0.000 0.479 308 K N 0.292 120.606 120.400 -0.143 0.000 2.057 308 K HA -0.147 4.174 4.320 0.001 0.000 0.206 308 K C 2.171 178.665 176.600 -0.176 0.000 1.050 308 K CA 1.176 57.309 56.287 -0.256 0.000 0.935 308 K CB -0.440 31.700 32.500 -0.600 0.000 0.715 308 K HN 0.195 nan 8.250 nan 0.000 0.439 309 M N -0.382 119.095 119.600 -0.206 0.000 2.108 309 M HA -0.241 4.239 4.480 0.001 0.000 0.261 309 M C 1.854 178.012 176.300 -0.236 0.000 1.066 309 M CA 1.667 56.785 55.300 -0.304 0.000 1.107 309 M CB -0.138 32.230 32.600 -0.387 0.000 1.356 309 M HN 0.281 nan 8.290 nan 0.000 0.406 310 C N -0.169 119.164 119.300 0.056 0.000 2.429 310 C HA -0.153 4.308 4.460 0.001 0.000 0.277 310 C C 2.742 177.795 174.990 0.106 0.000 1.262 310 C CA 1.063 60.220 59.018 0.232 0.000 1.733 310 C CB -1.165 26.797 27.740 0.371 0.000 2.010 310 C HN 0.617 nan 8.230 nan 0.000 0.483 311 Q N 0.925 120.757 119.800 0.054 0.000 2.046 311 Q HA -0.180 4.160 4.340 0.001 0.000 0.200 311 Q C 1.907 177.900 176.000 -0.012 0.000 0.975 311 Q CA 1.511 57.330 55.803 0.026 0.000 0.836 311 Q CB -0.201 28.543 28.738 0.010 0.000 0.896 311 Q HN 0.681 nan 8.270 nan 0.000 0.428 312 E N -0.060 120.103 120.200 -0.062 0.000 2.338 312 E HA -0.077 4.273 4.350 0.001 0.000 0.197 312 E C 1.431 177.982 176.600 -0.082 0.000 1.007 312 E CA 0.444 56.797 56.400 -0.078 0.000 0.849 312 E CB 0.211 29.842 29.700 -0.115 0.000 0.774 312 E HN 0.352 nan 8.360 nan 0.000 0.506 313 L N -0.782 120.384 121.223 -0.095 0.000 2.728 313 L HA 0.249 4.590 4.340 0.001 0.000 0.238 313 L C 1.141 178.062 176.870 0.084 0.000 1.143 313 L CA 0.131 54.943 54.840 -0.046 0.000 0.937 313 L CB 0.664 42.582 42.059 -0.235 0.000 1.225 313 L HN 0.226 nan 8.230 nan 0.000 0.507 314 G N -0.298 108.534 108.800 0.052 0.000 2.176 314 G HA2 -0.265 3.696 3.960 0.001 0.000 0.253 314 G HA3 -0.265 3.696 3.960 0.001 0.000 0.253 314 G C 0.929 175.854 174.900 0.042 0.000 0.979 314 G CA 0.207 45.340 45.100 0.055 0.000 0.641 314 G HN 0.159 nan 8.290 nan 0.000 0.530 315 L N -0.323 120.930 121.223 0.050 0.000 2.046 315 L HA 0.110 4.451 4.340 0.001 0.000 0.208 315 L C 1.752 178.624 176.870 0.004 0.000 1.077 315 L CA 2.537 57.346 54.840 -0.051 0.000 0.747 315 L CB -1.323 40.716 42.059 -0.034 0.000 0.896 315 L HN 0.689 nan 8.230 nan 0.000 0.432 316 V N -4.022 115.942 119.914 0.083 0.000 3.160 316 V HA 0.378 4.499 4.120 0.001 0.000 0.310 316 V C 0.209 176.337 176.094 0.057 0.000 1.181 316 V CA -0.603 61.757 62.300 0.100 0.000 1.047 316 V CB 1.790 33.712 31.823 0.166 0.000 1.068 316 V HN 0.181 nan 8.190 nan 0.000 0.441 317 D N -0.335 120.087 120.400 0.038 0.000 2.349 317 D HA 0.146 4.786 4.640 0.001 0.000 0.214 317 D C 0.558 176.859 176.300 0.001 0.000 1.063 317 D CA 0.222 54.231 54.000 0.015 0.000 0.847 317 D CB 0.426 41.230 40.800 0.006 0.000 0.933 317 D HN 0.879 nan 8.370 nan 0.000 0.513 318 R N -0.246 120.254 120.500 -0.000 0.000 2.762 318 R HA 0.605 4.945 4.340 0.001 0.000 0.271 318 R C -1.014 175.264 176.300 -0.036 0.000 1.038 318 R CA -1.045 55.038 56.100 -0.029 0.000 0.906 318 R CB 0.715 30.979 30.300 -0.060 0.000 1.259 318 R HN 0.042 nan 8.270 nan 0.000 0.457 319 I N -1.931 118.593 120.570 -0.076 0.000 2.846 319 I HA 0.660 4.830 4.170 0.001 0.000 0.307 319 I C -2.660 173.300 176.117 -0.262 0.000 1.053 319 I CA -3.026 58.195 61.300 -0.132 0.000 1.050 319 I CB 2.170 40.149 38.000 -0.036 0.000 1.239 319 I HN 0.398 nan 8.210 nan 0.000 0.439 320 P HA 0.325 nan 4.420 nan 0.000 0.276 320 P C -1.161 175.924 177.300 -0.358 0.000 1.244 320 P CA -0.499 62.317 63.100 -0.473 0.000 0.801 320 P CB 0.509 31.821 31.700 -0.647 0.000 1.006 321 R N 1.464 121.672 120.500 -0.487 0.000 2.491 321 R HA 0.386 4.726 4.340 0.001 0.000 0.283 321 R C 0.171 176.370 176.300 -0.169 0.000 1.072 321 R CA 0.026 55.844 56.100 -0.471 0.000 1.048 321 R CB 0.159 29.795 30.300 -1.106 0.000 0.983 321 R HN 0.512 nan 8.270 nan 0.000 0.450 322 M N 2.038 121.662 119.600 0.040 0.000 2.436 322 M HA 0.341 4.822 4.480 0.001 0.000 0.331 322 M C -0.908 175.531 176.300 0.231 0.000 1.135 322 M CA -0.901 54.497 55.300 0.163 0.000 0.987 322 M CB 2.448 35.135 32.600 0.144 0.000 1.687 322 M HN 0.225 nan 8.290 nan 0.000 0.445 323 V N 1.951 121.989 119.914 0.208 0.000 2.409 323 V HA 0.271 4.391 4.120 0.001 0.000 0.291 323 V C -0.778 175.353 176.094 0.062 0.000 1.020 323 V CA -0.890 61.482 62.300 0.120 0.000 0.848 323 V CB 1.515 33.383 31.823 0.075 0.000 0.990 323 V HN 0.977 nan 8.190 nan 0.000 0.430 324 C N 6.127 125.458 119.300 0.051 0.000 2.303 324 C HA 0.787 5.247 4.460 0.001 0.000 0.341 324 C C 0.796 175.816 174.990 0.050 0.000 1.244 324 C CA -0.474 58.578 59.018 0.057 0.000 1.765 324 C CB -0.628 27.169 27.740 0.095 0.000 2.379 324 C HN 1.010 nan 8.230 nan 0.000 0.530 325 A N 6.951 129.791 122.820 0.034 0.000 2.260 325 A HA 0.629 4.949 4.320 0.001 0.000 0.314 325 A C -0.385 177.218 177.584 0.032 0.000 1.257 325 A CA -0.237 51.816 52.037 0.025 0.000 0.871 325 A CB 0.478 19.480 19.000 0.004 0.000 1.166 325 A HN 0.931 nan 8.150 nan 0.000 0.522 326 Q N 0.899 120.716 119.800 0.030 0.000 2.348 326 Q HA 0.630 4.970 4.340 0.001 0.000 0.271 326 Q C -0.157 175.830 176.000 -0.022 0.000 1.067 326 Q CA -0.820 54.999 55.803 0.028 0.000 0.839 326 Q CB 2.412 31.189 28.738 0.066 0.000 1.354 326 Q HN 0.881 nan 8.270 nan 0.000 0.447 327 A N 0.693 123.505 122.820 -0.013 0.000 2.386 327 A HA 0.433 4.753 4.320 0.001 0.000 0.248 327 A C 0.969 178.517 177.584 -0.061 0.000 1.082 327 A CA 0.564 52.576 52.037 -0.041 0.000 0.789 327 A CB 0.366 19.351 19.000 -0.025 0.000 1.025 327 A HN 0.918 nan 8.150 nan 0.000 0.490 328 A N 1.542 124.312 122.820 -0.084 0.000 1.972 328 A HA -0.181 4.139 4.320 0.001 0.000 0.219 328 A C 1.621 179.177 177.584 -0.047 0.000 1.169 328 A CA 1.976 53.957 52.037 -0.094 0.000 0.635 328 A CB -0.868 18.078 19.000 -0.090 0.000 0.810 328 A HN 0.934 nan 8.150 nan 0.000 0.446 329 N N -0.107 118.575 118.700 -0.031 0.000 2.409 329 N HA 0.215 4.955 4.740 0.001 0.000 0.179 329 N C 0.837 176.348 175.510 0.002 0.000 1.032 329 N CA 0.214 53.255 53.050 -0.014 0.000 0.898 329 N CB -0.138 38.341 38.487 -0.014 0.000 0.971 329 N HN 0.530 nan 8.380 nan 0.000 0.441 330 A N 1.727 124.552 122.820 0.008 0.000 2.310 330 A HA 0.158 4.478 4.320 0.001 0.000 0.260 330 A C 0.526 178.139 177.584 0.048 0.000 1.112 330 A CA -0.690 51.365 52.037 0.030 0.000 0.804 330 A CB 0.145 19.170 19.000 0.041 0.000 1.081 330 A HN 0.338 nan 8.150 nan 0.000 0.499 331 N N 0.199 118.935 118.700 0.060 0.000 2.231 331 N HA 0.099 4.840 4.740 0.001 0.000 0.223 331 N C -2.516 173.057 175.510 0.106 0.000 1.329 331 N CA -1.074 52.018 53.050 0.070 0.000 0.889 331 N CB -0.486 38.039 38.487 0.063 0.000 1.125 331 N HN 0.300 nan 8.380 nan 0.000 0.447 332 P HA 0.118 nan 4.420 nan 0.000 0.228 332 P C 0.781 178.193 177.300 0.186 0.000 1.764 332 P CA -0.289 62.894 63.100 0.139 0.000 0.929 332 P CB -0.083 31.675 31.700 0.097 0.000 1.675 333 L N 0.003 121.354 121.223 0.215 0.000 2.072 333 L HA -0.108 4.232 4.340 0.001 0.000 0.205 333 L C 2.350 179.400 176.870 0.301 0.000 1.079 333 L CA 1.692 56.705 54.840 0.287 0.000 0.752 333 L CB -1.243 40.973 42.059 0.262 0.000 0.906 333 L HN -0.037 nan 8.230 nan 0.000 0.436 334 Y N -0.293 120.094 120.300 0.146 0.000 2.128 334 Y HA -0.272 4.279 4.550 0.001 0.000 0.284 334 Y C 2.119 178.079 175.900 0.100 0.000 1.154 334 Y CA 2.082 60.256 58.100 0.123 0.000 1.149 334 Y CB -0.350 38.162 38.460 0.086 0.000 0.976 334 Y HN 0.201 nan 8.280 nan 0.000 0.505 335 L N -0.352 120.931 121.223 0.100 0.000 2.201 335 L HA -0.212 4.128 4.340 0.001 0.000 0.212 335 L C 2.625 179.470 176.870 -0.042 0.000 1.105 335 L CA 1.934 56.761 54.840 -0.020 0.000 0.775 335 L CB -1.028 41.089 42.059 0.097 0.000 0.913 335 L HN 0.431 nan 8.230 nan 0.000 0.440 336 H N -1.826 117.208 119.070 -0.059 0.000 2.395 336 H HA -0.212 4.344 4.556 0.001 0.000 0.299 336 H C 2.215 177.342 175.328 -0.336 0.000 1.070 336 H CA 1.448 57.462 56.048 -0.057 0.000 1.356 336 H CB 0.237 30.087 29.762 0.147 0.000 1.401 336 H HN 0.384 nan 8.280 nan 0.000 0.524 337 Y N 1.911 121.785 120.300 -0.710 0.000 2.200 337 Y HA -0.109 4.441 4.550 0.001 0.000 0.290 337 Y C 2.106 177.479 175.900 -0.877 0.000 1.137 337 Y CA 1.183 58.508 58.100 -1.292 0.000 1.163 337 Y CB -0.085 37.855 38.460 -0.868 0.000 0.988 337 Y HN -0.053 nan 8.280 nan 0.000 0.518 338 K N -0.280 119.639 120.400 -0.802 0.000 2.362 338 K HA -0.078 4.242 4.320 0.001 0.000 0.200 338 K C 2.109 178.390 176.600 -0.531 0.000 1.046 338 K CA 1.034 56.888 56.287 -0.722 0.000 0.952 338 K CB -0.282 31.866 32.500 -0.587 0.000 0.753 338 K HN 0.265 nan 8.250 nan 0.000 0.466 339 S N -0.375 115.045 115.700 -0.467 0.000 2.593 339 S HA 0.110 4.581 4.470 0.001 0.000 0.217 339 S C 0.835 175.230 174.600 -0.341 0.000 0.966 339 S CA 0.698 58.717 58.200 -0.301 0.000 0.914 339 S CB -0.043 63.073 63.200 -0.140 0.000 0.776 339 S HN 0.508 nan 8.310 nan 0.000 0.523 340 G N 0.755 109.211 108.800 -0.572 0.000 2.212 340 G HA2 -0.262 3.698 3.960 0.001 0.000 0.255 340 G HA3 -0.262 3.698 3.960 0.001 0.000 0.255 340 G C -0.003 174.717 174.900 -0.300 0.000 1.062 340 G CA -0.166 44.641 45.100 -0.490 0.000 0.815 340 G HN 0.625 nan 8.290 nan 0.000 0.497 341 W N -2.055 119.030 121.300 -0.359 0.000 5.563 341 W HA -0.238 4.422 4.660 0.001 0.000 0.396 341 W C 1.299 177.737 176.519 -0.135 0.000 1.519 341 W CA 0.756 57.814 57.345 -0.477 0.000 0.953 341 W CB -1.535 27.801 29.460 -0.207 0.000 2.691 341 W HN 0.519 nan 8.180 nan 0.000 1.444 342 K N -1.740 118.732 120.400 0.120 0.000 2.493 342 K HA 0.126 4.447 4.320 0.001 0.000 0.201 342 K C 0.460 177.235 176.600 0.292 0.000 1.355 342 K CA 0.422 56.838 56.287 0.215 0.000 0.953 342 K CB 0.702 33.255 32.500 0.088 0.000 1.316 342 K HN 0.096 nan 8.250 nan 0.000 0.522 364 S N 1.129 116.796 115.700 -0.056 0.000 3.402 364 S HA -0.227 4.243 4.470 0.001 0.000 0.329 364 S C 0.910 175.464 174.600 -0.076 0.000 1.194 364 S CA 1.699 59.832 58.200 -0.112 0.000 0.951 364 S CB -1.354 61.795 63.200 -0.084 0.000 0.975 364 S HN 1.293 nan 8.310 nan 0.000 0.574 365 I N 1.120 121.673 120.570 -0.029 0.000 2.163 365 I HA -0.107 4.064 4.170 0.001 0.000 0.240 365 I C 2.051 178.185 176.117 0.028 0.000 1.081 365 I CA 1.733 63.045 61.300 0.021 0.000 1.353 365 I CB -0.499 37.517 38.000 0.026 0.000 1.054 365 I HN 0.110 nan 8.210 nan 0.000 0.407 366 D N 0.448 120.855 120.400 0.012 0.000 2.144 366 D HA -0.180 4.460 4.640 0.001 0.000 0.199 366 D C 2.228 178.562 176.300 0.056 0.000 0.984 366 D CA 0.977 55.021 54.000 0.074 0.000 0.834 366 D CB -0.234 40.638 40.800 0.119 0.000 0.955 366 D HN 0.150 nan 8.370 nan 0.000 0.465 367 R N 0.688 121.044 120.500 -0.240 0.000 2.103 367 R HA -0.095 4.245 4.340 0.001 0.000 0.242 367 R C 1.924 178.090 176.300 -0.223 0.000 1.142 367 R CA 1.672 57.363 56.100 -0.681 0.000 0.960 367 R CB -0.435 29.300 30.300 -0.941 0.000 0.858 367 R HN 0.188 nan 8.270 nan 0.000 0.439 368 A N -0.720 122.065 122.820 -0.058 0.000 1.898 368 A HA -0.002 4.318 4.320 0.001 0.000 0.214 368 A C 2.254 179.857 177.584 0.031 0.000 1.183 368 A CA 1.243 53.319 52.037 0.065 0.000 0.622 368 A CB -0.414 18.645 19.000 0.097 0.000 0.824 368 A HN 0.179 nan 8.150 nan 0.000 0.444 369 V N -1.002 118.922 119.914 0.015 0.000 2.343 369 V HA -0.292 3.828 4.120 0.001 0.000 0.247 369 V C 2.362 178.287 176.094 -0.281 0.000 1.051 369 V CA 2.146 64.334 62.300 -0.187 0.000 1.036 369 V CB -1.061 30.762 31.823 -0.000 0.000 0.654 369 V HN 0.736 nan 8.190 nan 0.000 0.451 370 Y N 1.610 121.832 120.300 -0.130 0.000 2.128 370 Y HA -0.243 4.308 4.550 0.001 0.000 0.284 370 Y C 2.370 178.144 175.900 -0.210 0.000 1.154 370 Y CA 1.754 59.803 58.100 -0.085 0.000 1.149 370 Y CB -0.590 37.992 38.460 0.203 0.000 0.976 370 Y HN 0.140 nan 8.280 nan 0.000 0.505 371 A N 0.219 122.893 122.820 -0.243 0.000 1.930 371 A HA -0.116 4.204 4.320 0.001 0.000 0.217 371 A C 2.276 179.507 177.584 -0.588 0.000 1.175 371 A CA 1.758 53.394 52.037 -0.668 0.000 0.627 371 A CB -1.053 17.887 19.000 -0.100 0.000 0.815 371 A HN 0.572 nan 8.150 nan 0.000 0.443 372 L N -0.931 120.094 121.223 -0.330 0.000 2.109 372 L HA -0.125 4.215 4.340 0.001 0.000 0.207 372 L C 2.542 179.251 176.870 -0.267 0.000 1.086 372 L CA 1.358 56.072 54.840 -0.209 0.000 0.760 372 L CB -0.323 41.691 42.059 -0.074 0.000 0.910 372 L HN 0.309 nan 8.230 nan 0.000 0.437 373 K N -0.210 119.887 120.400 -0.505 0.000 2.057 373 K HA -0.146 4.175 4.320 0.001 0.000 0.207 373 K C 2.164 178.590 176.600 -0.290 0.000 1.049 373 K CA 0.958 56.983 56.287 -0.437 0.000 0.931 373 K CB -0.002 32.151 32.500 -0.577 0.000 0.714 373 K HN 0.100 nan 8.250 nan 0.000 0.440 374 K N 0.461 120.603 120.400 -0.429 0.000 2.148 374 K HA -0.106 4.215 4.320 0.001 0.000 0.204 374 K C 2.159 178.678 176.600 -0.135 0.000 1.050 374 K CA 1.362 57.449 56.287 -0.335 0.000 0.942 374 K CB -0.138 32.019 32.500 -0.572 0.000 0.724 374 K HN 0.378 nan 8.250 nan 0.000 0.446 375 C N 0.127 119.347 119.300 -0.133 0.000 2.855 375 C HA 0.312 4.772 4.460 0.001 0.000 0.279 375 C C 0.500 175.469 174.990 -0.034 0.000 1.270 375 C CA -0.694 58.319 59.018 -0.007 0.000 1.702 375 C CB -1.409 26.384 27.740 0.088 0.000 1.949 375 C HN 0.521 nan 8.230 nan 0.000 0.618 376 N N 0.911 119.598 118.700 -0.022 0.000 2.708 376 N HA -0.125 4.616 4.740 0.001 0.000 0.255 376 N C 0.389 175.952 175.510 0.088 0.000 1.046 376 N CA 0.777 53.851 53.050 0.041 0.000 0.715 376 N CB -0.941 37.552 38.487 0.010 0.000 0.895 376 N HN 0.895 nan 8.380 nan 0.000 0.545 377 G N 0.350 109.223 108.800 0.122 0.000 2.535 377 G HA2 0.722 4.682 3.960 0.001 0.000 0.303 377 G HA3 0.722 4.682 3.960 0.001 0.000 0.303 377 G C 0.035 175.000 174.900 0.109 0.000 1.237 377 G CA -0.507 44.677 45.100 0.140 0.000 0.986 377 G HN 0.297 nan 8.290 nan 0.000 0.494 378 I N -0.867 119.681 120.570 -0.036 0.000 2.730 378 I HA 0.372 4.543 4.170 0.001 0.000 0.298 378 I C -0.750 175.090 176.117 -0.461 0.000 1.089 378 I CA -0.970 60.038 61.300 -0.488 0.000 1.041 378 I CB 2.678 40.599 38.000 -0.131 0.000 1.235 378 I HN 0.120 nan 8.210 nan 0.000 0.423 379 V N 4.029 123.459 119.914 -0.807 0.000 2.495 379 V HA 0.548 4.668 4.120 0.001 0.000 0.298 379 V C -0.378 175.791 176.094 0.125 0.000 1.031 379 V CA -0.601 61.594 62.300 -0.176 0.000 0.871 379 V CB 1.811 33.633 31.823 -0.001 0.000 0.988 379 V HN 0.603 nan 8.190 nan 0.000 0.432 380 E N 2.254 122.564 120.200 0.183 0.000 2.317 380 E HA 0.518 4.869 4.350 0.001 0.000 0.270 380 E C -0.935 175.668 176.600 0.005 0.000 0.885 380 E CA -0.651 55.873 56.400 0.207 0.000 0.760 380 E CB 3.006 32.761 29.700 0.092 0.000 1.227 380 E HN 0.708 nan 8.360 nan 0.000 0.434 381 E N 0.281 120.300 120.200 -0.302 0.000 2.250 381 E HA 0.669 5.020 4.350 0.001 0.000 0.269 381 E C -1.028 175.462 176.600 -0.183 0.000 1.018 381 E CA -0.762 55.415 56.400 -0.372 0.000 0.873 381 E CB 1.741 31.000 29.700 -0.735 0.000 1.134 381 E HN 0.435 nan 8.360 nan 0.000 0.403 382 A N 1.797 124.536 122.820 -0.135 0.000 2.381 382 A HA 0.390 4.711 4.320 0.001 0.000 0.299 382 A C -0.369 177.161 177.584 -0.090 0.000 1.049 382 A CA -0.570 51.414 52.037 -0.090 0.000 0.715 382 A CB 1.872 20.830 19.000 -0.070 0.000 1.222 382 A HN 0.476 nan 8.150 nan 0.000 0.428 383 T N 0.185 114.693 114.554 -0.076 0.000 2.849 383 T HA 0.248 4.599 4.350 0.001 0.000 0.284 383 T C 1.344 176.006 174.700 -0.064 0.000 1.004 383 T CA 0.161 62.222 62.100 -0.066 0.000 1.021 383 T CB 0.890 69.726 68.868 -0.053 0.000 1.013 383 T HN 0.739 nan 8.240 nan 0.000 0.527 384 E N 1.109 121.275 120.200 -0.056 0.000 2.097 384 E HA -0.159 4.191 4.350 0.001 0.000 0.196 384 E C 1.906 178.477 176.600 -0.048 0.000 1.000 384 E CA 2.038 58.404 56.400 -0.056 0.000 0.804 384 E CB -0.005 29.670 29.700 -0.042 0.000 0.740 384 E HN 0.771 nan 8.360 nan 0.000 0.454 385 E N -0.105 120.073 120.200 -0.036 0.000 2.072 385 E HA -0.205 4.146 4.350 0.001 0.000 0.191 385 E C 1.863 178.447 176.600 -0.027 0.000 0.985 385 E CA 1.140 57.529 56.400 -0.020 0.000 0.801 385 E CB 0.007 29.689 29.700 -0.029 0.000 0.750 385 E HN 0.304 nan 8.360 nan 0.000 0.452 386 E N 0.117 120.288 120.200 -0.049 0.000 2.051 386 E HA -0.212 4.138 4.350 0.001 0.000 0.192 386 E C 2.289 178.836 176.600 -0.090 0.000 0.991 386 E CA 1.455 57.815 56.400 -0.067 0.000 0.799 386 E CB -0.180 29.483 29.700 -0.062 0.000 0.748 386 E HN 0.351 nan 8.360 nan 0.000 0.449 387 L N -1.235 119.927 121.223 -0.101 0.000 2.093 387 L HA -0.100 4.240 4.340 0.001 0.000 0.208 387 L C 2.162 178.917 176.870 -0.191 0.000 1.085 387 L CA 1.465 56.220 54.840 -0.142 0.000 0.755 387 L CB -0.410 41.560 42.059 -0.149 0.000 0.904 387 L HN 0.024 nan 8.230 nan 0.000 0.435 388 M N 0.206 119.703 119.600 -0.172 0.000 2.132 388 M HA -0.118 4.362 4.480 0.001 0.000 0.263 388 M C 1.935 178.011 176.300 -0.374 0.000 1.065 388 M CA 1.404 56.538 55.300 -0.276 0.000 1.122 388 M CB -1.168 31.366 32.600 -0.110 0.000 1.365 388 M HN 0.350 nan 8.290 nan 0.000 0.411 389 D N 0.783 121.127 120.400 -0.094 0.000 2.104 389 D HA -0.092 4.548 4.640 0.001 0.000 0.194 389 D C 2.006 178.272 176.300 -0.056 0.000 0.994 389 D CA 1.780 55.846 54.000 0.109 0.000 0.830 389 D CB -0.170 40.769 40.800 0.231 0.000 0.959 389 D HN 0.319 nan 8.370 nan 0.000 0.452 390 A N 0.723 123.452 122.820 -0.151 0.000 1.902 390 A HA -0.147 4.174 4.320 0.001 0.000 0.217 390 A C 2.193 179.589 177.584 -0.312 0.000 1.181 390 A CA 1.337 53.250 52.037 -0.208 0.000 0.623 390 A CB -0.580 18.328 19.000 -0.153 0.000 0.818 390 A HN 0.187 nan 8.150 nan 0.000 0.443 391 M N -0.456 118.947 119.600 -0.328 0.000 2.108 391 M HA -0.192 4.288 4.480 0.001 0.000 0.261 391 M C 2.326 178.404 176.300 -0.369 0.000 1.066 391 M CA 1.731 56.806 55.300 -0.374 0.000 1.107 391 M CB -0.316 32.048 32.600 -0.395 0.000 1.356 391 M HN 0.474 nan 8.290 nan 0.000 0.406 392 A N -0.176 122.413 122.820 -0.386 0.000 1.898 392 A HA -0.208 4.112 4.320 0.001 0.000 0.216 392 A C 1.852 179.307 177.584 -0.217 0.000 1.181 392 A CA 1.547 53.439 52.037 -0.242 0.000 0.620 392 A CB -0.662 18.215 19.000 -0.205 0.000 0.819 392 A HN 0.665 nan 8.150 nan 0.000 0.442 393 Q N -0.520 119.046 119.800 -0.390 0.000 2.050 393 Q HA -0.098 4.243 4.340 0.001 0.000 0.202 393 Q C 2.488 178.167 176.000 -0.536 0.000 0.980 393 Q CA 1.413 56.834 55.803 -0.636 0.000 0.840 393 Q CB -0.422 27.764 28.738 -0.920 0.000 0.898 393 Q HN 0.663 nan 8.270 nan 0.000 0.424 394 A N 1.597 124.026 122.820 -0.652 0.000 1.865 394 A HA -0.265 4.055 4.320 0.001 0.000 0.217 394 A C 1.654 178.999 177.584 -0.398 0.000 1.191 394 A CA 2.046 53.590 52.037 -0.822 0.000 0.623 394 A CB -0.713 17.765 19.000 -0.870 0.000 0.826 394 A HN 0.263 nan 8.150 nan 0.000 0.444 395 D N -0.057 120.172 120.400 -0.284 0.000 2.123 395 D HA -0.137 4.503 4.640 0.001 0.000 0.196 395 D C 2.374 178.646 176.300 -0.047 0.000 0.992 395 D CA 1.838 55.763 54.000 -0.125 0.000 0.833 395 D CB -0.378 40.387 40.800 -0.059 0.000 0.954 395 D HN 0.582 nan 8.370 nan 0.000 0.455 396 S N -0.562 115.114 115.700 -0.041 0.000 2.500 396 S HA -0.109 4.362 4.470 0.001 0.000 0.239 396 S C 1.616 176.258 174.600 0.070 0.000 0.989 396 S CA 1.396 59.618 58.200 0.036 0.000 0.951 396 S CB -0.569 62.674 63.200 0.071 0.000 0.759 396 S HN 0.308 nan 8.310 nan 0.000 0.523 397 T N -3.829 110.756 114.554 0.052 0.000 3.176 397 T HA 0.637 4.988 4.350 0.001 0.000 0.263 397 T C 1.278 176.035 174.700 0.095 0.000 1.021 397 T CA 0.349 62.519 62.100 0.116 0.000 0.905 397 T CB 0.250 69.247 68.868 0.215 0.000 1.057 397 T HN 0.938 nan 8.240 nan 0.000 0.558 398 G N 1.235 110.054 108.800 0.031 0.000 2.352 398 G HA2 -0.166 3.794 3.960 0.001 0.000 0.204 398 G HA3 -0.166 3.794 3.960 0.001 0.000 0.204 398 G C 0.032 174.867 174.900 -0.108 0.000 1.004 398 G CA -0.222 44.886 45.100 0.014 0.000 0.648 398 G HN 0.512 nan 8.290 nan 0.000 0.491 399 M N -0.127 119.349 119.600 -0.207 0.000 2.157 399 M HA 0.633 5.114 4.480 0.001 0.000 0.304 399 M C -0.303 175.940 176.300 -0.096 0.000 1.171 399 M CA 0.043 55.157 55.300 -0.309 0.000 1.157 399 M CB 0.567 32.946 32.600 -0.368 0.000 1.403 399 M HN 0.152 nan 8.290 nan 0.000 0.473 400 F N 2.638 122.366 119.950 -0.371 0.000 2.971 400 F HA 0.416 4.943 4.527 0.001 0.000 0.373 400 F C -1.072 174.553 175.800 -0.293 0.000 1.288 400 F CA -1.088 56.758 58.000 -0.256 0.000 1.204 400 F CB 0.368 39.267 39.000 -0.168 0.000 1.852 400 F HN 0.350 nan 8.300 nan 0.000 0.624 401 I N 0.750 121.098 120.570 -0.371 0.000 2.822 401 I HA 0.699 4.870 4.170 0.001 0.000 0.312 401 I C 0.289 176.221 176.117 -0.309 0.000 1.011 401 I CA -1.034 60.085 61.300 -0.303 0.000 1.105 401 I CB 0.687 38.541 38.000 -0.244 0.000 1.291 401 I HN 0.396 nan 8.210 nan 0.000 0.474 402 C N 1.266 120.435 119.300 -0.218 0.000 2.500 402 C HA 0.543 5.004 4.460 0.001 0.000 0.367 402 C C -0.922 173.763 174.990 -0.509 0.000 1.283 402 C CA -0.930 57.861 59.018 -0.377 0.000 2.456 402 C CB 0.633 28.241 27.740 -0.221 0.000 2.457 402 C HN 0.790 nan 8.230 nan 0.000 0.632 403 P HA -0.181 nan 4.420 nan 0.000 0.218 403 P C 1.275 178.255 177.300 -0.533 0.000 1.148 403 P CA 1.918 64.629 63.100 -0.647 0.000 0.822 403 P CB -0.325 30.927 31.700 -0.746 0.000 0.784 404 H N -0.292 118.577 119.070 -0.335 0.000 2.387 404 H HA -0.031 4.525 4.556 0.001 0.000 0.299 404 H C 1.759 176.992 175.328 -0.159 0.000 1.090 404 H CA 1.765 57.697 56.048 -0.192 0.000 1.332 404 H CB -1.470 28.214 29.762 -0.130 0.000 1.386 404 H HN 0.172 nan 8.280 nan 0.000 0.516 405 T N 0.222 114.731 114.554 -0.074 0.000 2.821 405 T HA -0.065 4.285 4.350 0.001 0.000 0.267 405 T C 2.414 177.031 174.700 -0.140 0.000 1.046 405 T CA 0.972 63.014 62.100 -0.096 0.000 1.139 405 T CB -0.593 68.210 68.868 -0.110 0.000 0.871 405 T HN 0.545 nan 8.240 nan 0.000 0.454 406 G N 1.311 109.990 108.800 -0.201 0.000 2.442 406 G HA2 -0.178 3.782 3.960 0.001 0.000 0.219 406 G HA3 -0.178 3.782 3.960 0.001 0.000 0.219 406 G C 1.667 176.484 174.900 -0.139 0.000 1.141 406 G CA 0.824 45.801 45.100 -0.204 0.000 0.763 406 G HN 0.439 nan 8.290 nan 0.000 0.554 407 V N 1.452 121.293 119.914 -0.122 0.000 2.343 407 V HA -0.133 3.988 4.120 0.001 0.000 0.247 407 V C 3.309 179.378 176.094 -0.042 0.000 1.051 407 V CA 2.024 64.278 62.300 -0.077 0.000 1.036 407 V CB -0.849 30.939 31.823 -0.058 0.000 0.654 407 V HN 0.478 nan 8.190 nan 0.000 0.451 408 A N -0.254 122.543 122.820 -0.038 0.000 1.902 408 A HA -0.129 4.191 4.320 0.001 0.000 0.217 408 A C 2.194 179.783 177.584 0.008 0.000 1.181 408 A CA 1.686 53.712 52.037 -0.017 0.000 0.623 408 A CB -0.518 18.466 19.000 -0.026 0.000 0.818 408 A HN 0.510 nan 8.150 nan 0.000 0.443 409 L N -0.722 120.502 121.223 0.001 0.000 2.141 409 L HA -0.128 4.212 4.340 0.001 0.000 0.209 409 L C 2.683 179.616 176.870 0.104 0.000 1.094 409 L CA 1.552 56.433 54.840 0.068 0.000 0.763 409 L CB -0.747 41.323 42.059 0.018 0.000 0.908 409 L HN 0.329 nan 8.230 nan 0.000 0.437 410 T N -0.090 114.490 114.554 0.043 0.000 2.777 410 T HA -0.133 4.217 4.350 0.001 0.000 0.266 410 T C 2.053 176.826 174.700 0.121 0.000 1.040 410 T CA 1.249 63.391 62.100 0.070 0.000 1.141 410 T CB -0.198 68.667 68.868 -0.004 0.000 0.868 410 T HN 0.434 nan 8.240 nan 0.000 0.444 411 A N 1.208 124.062 122.820 0.056 0.000 1.972 411 A HA -0.004 4.316 4.320 0.001 0.000 0.219 411 A C 2.217 179.809 177.584 0.013 0.000 1.169 411 A CA 1.155 53.211 52.037 0.032 0.000 0.635 411 A CB -0.695 18.309 19.000 0.007 0.000 0.810 411 A HN 0.404 nan 8.150 nan 0.000 0.446 412 L N -1.576 119.669 121.223 0.036 0.000 2.027 412 L HA -0.022 4.319 4.340 0.001 0.000 0.206 412 L C 2.160 179.048 176.870 0.031 0.000 1.074 412 L CA 2.139 56.981 54.840 0.004 0.000 0.745 412 L CB -0.848 41.249 42.059 0.063 0.000 0.898 412 L HN 0.424 nan 8.230 nan 0.000 0.433 413 F N 0.710 120.646 119.950 -0.023 0.000 2.065 413 F HA -0.286 4.242 4.527 0.001 0.000 0.298 413 F C 2.362 178.143 175.800 -0.032 0.000 1.112 413 F CA 2.234 60.222 58.000 -0.020 0.000 1.212 413 F CB -0.279 38.727 39.000 0.010 0.000 0.975 413 F HN 0.032 nan 8.300 nan 0.000 0.476 414 K N 0.159 120.586 120.400 0.046 0.000 2.057 414 K HA -0.143 4.177 4.320 0.001 0.000 0.207 414 K C 2.085 178.601 176.600 -0.139 0.000 1.049 414 K CA 1.755 58.008 56.287 -0.056 0.000 0.931 414 K CB -0.384 32.160 32.500 0.074 0.000 0.714 414 K HN 0.362 nan 8.250 nan 0.000 0.440 415 L N 0.454 121.597 121.223 -0.134 0.000 2.240 415 L HA -0.078 4.262 4.340 0.001 0.000 0.211 415 L C 2.450 179.190 176.870 -0.217 0.000 1.106 415 L CA 0.563 55.294 54.840 -0.181 0.000 0.793 415 L CB -0.163 41.738 42.059 -0.263 0.000 0.927 415 L HN 0.131 nan 8.230 nan 0.000 0.446 416 R N 0.137 120.497 120.500 -0.235 0.000 2.066 416 R HA -0.093 4.248 4.340 0.001 0.000 0.232 416 R C 1.912 178.072 176.300 -0.233 0.000 1.131 416 R CA 1.158 57.123 56.100 -0.225 0.000 0.955 416 R CB -0.597 29.572 30.300 -0.219 0.000 0.851 416 R HN 0.405 nan 8.270 nan 0.000 0.432 417 N N 1.345 119.847 118.700 -0.328 0.000 2.223 417 N HA -0.152 4.588 4.740 0.001 0.000 0.185 417 N C 1.653 177.065 175.510 -0.162 0.000 1.016 417 N CA 1.168 54.048 53.050 -0.284 0.000 0.863 417 N CB -0.185 38.074 38.487 -0.381 0.000 0.983 417 N HN 0.382 nan 8.380 nan 0.000 0.429 418 Q N -0.714 119.003 119.800 -0.138 0.000 2.435 418 Q HA 0.141 4.481 4.340 0.001 0.000 0.207 418 Q C 0.794 176.754 176.000 -0.066 0.000 0.956 418 Q CA 0.565 56.319 55.803 -0.081 0.000 0.917 418 Q CB 0.206 28.909 28.738 -0.058 0.000 0.997 418 Q HN 0.435 nan 8.270 nan 0.000 0.497 419 G N 0.127 108.875 108.800 -0.086 0.000 2.147 419 G HA2 -0.266 3.695 3.960 0.001 0.000 0.244 419 G HA3 -0.266 3.695 3.960 0.001 0.000 0.244 419 G C 0.686 175.565 174.900 -0.035 0.000 1.005 419 G CA 0.367 45.432 45.100 -0.058 0.000 0.713 419 G HN 0.277 nan 8.290 nan 0.000 0.515 420 V N -0.135 119.741 119.914 -0.064 0.000 2.446 420 V HA 0.214 4.335 4.120 0.001 0.000 0.244 420 V C 1.651 177.713 176.094 -0.053 0.000 1.039 420 V CA 1.585 63.866 62.300 -0.032 0.000 1.045 420 V CB -0.041 31.738 31.823 -0.074 0.000 0.681 420 V HN 0.473 nan 8.190 nan 0.000 0.459 421 I N 0.947 121.383 120.570 -0.223 0.000 2.321 421 I HA 0.505 4.676 4.170 0.001 0.000 0.291 421 I C 0.398 176.469 176.117 -0.076 0.000 0.998 421 I CA -0.316 60.829 61.300 -0.259 0.000 1.227 421 I CB 1.218 38.870 38.000 -0.579 0.000 1.368 421 I HN 0.143 nan 8.210 nan 0.000 0.466 422 A N 8.307 131.154 122.820 0.046 0.000 2.332 422 A HA 0.455 4.775 4.320 0.001 0.000 0.258 422 A C -1.716 175.889 177.584 0.034 0.000 1.087 422 A CA -1.191 50.872 52.037 0.043 0.000 0.802 422 A CB -0.061 18.986 19.000 0.078 0.000 1.042 422 A HN 0.548 nan 8.150 nan 0.000 0.489 423 P HA -0.071 nan 4.420 nan 0.000 0.218 423 P C 1.107 178.439 177.300 0.055 0.000 1.149 423 P CA 1.669 64.782 63.100 0.022 0.000 0.817 423 P CB 0.135 31.841 31.700 0.011 0.000 0.785 424 T N -1.726 112.866 114.554 0.064 0.000 3.081 424 T HA 0.041 4.391 4.350 0.001 0.000 0.255 424 T C 0.307 175.067 174.700 0.100 0.000 1.113 424 T CA 0.171 62.317 62.100 0.076 0.000 1.082 424 T CB -0.616 68.285 68.868 0.057 0.000 0.939 424 T HN 0.053 nan 8.240 nan 0.000 0.506 425 D N 2.676 123.151 120.400 0.125 0.000 2.450 425 D HA 0.046 4.687 4.640 0.001 0.000 0.247 425 D C 0.463 176.877 176.300 0.189 0.000 1.162 425 D CA 0.134 54.240 54.000 0.177 0.000 0.879 425 D CB 0.440 41.423 40.800 0.305 0.000 1.163 425 D HN 0.152 nan 8.370 nan 0.000 0.472 426 R N 1.910 122.485 120.500 0.124 0.000 2.402 426 R HA 0.123 4.463 4.340 0.001 0.000 0.331 426 R C -0.712 175.692 176.300 0.172 0.000 1.040 426 R CA 0.267 56.425 56.100 0.098 0.000 0.980 426 R CB -0.048 30.151 30.300 -0.169 0.000 0.967 426 R HN 0.246 nan 8.270 nan 0.000 0.440 427 T N 3.780 118.522 114.554 0.312 0.000 2.824 427 T HA 0.329 4.680 4.350 0.001 0.000 0.282 427 T C -0.870 174.064 174.700 0.391 0.000 0.993 427 T CA -0.612 61.685 62.100 0.328 0.000 0.967 427 T CB 1.875 70.906 68.868 0.272 0.000 0.960 427 T HN 0.234 nan 8.240 nan 0.000 0.441 428 V N 3.719 123.820 119.914 0.312 0.000 2.409 428 V HA 0.422 4.543 4.120 0.001 0.000 0.291 428 V C -0.183 176.033 176.094 0.204 0.000 1.020 428 V CA -0.776 61.713 62.300 0.314 0.000 0.848 428 V CB 1.694 33.696 31.823 0.298 0.000 0.990 428 V HN 0.723 nan 8.190 nan 0.000 0.430 429 V N 5.968 125.994 119.914 0.186 0.000 2.370 429 V HA 0.317 4.438 4.120 0.001 0.000 0.279 429 V C 0.115 176.232 176.094 0.039 0.000 1.029 429 V CA -0.566 61.789 62.300 0.091 0.000 0.870 429 V CB 1.817 33.698 31.823 0.097 0.000 0.984 429 V HN 0.628 nan 8.190 nan 0.000 0.451 430 V N 4.590 124.472 119.914 -0.054 0.000 2.427 430 V HA 0.197 4.318 4.120 0.001 0.000 0.268 430 V C 0.699 176.753 176.094 -0.066 0.000 1.046 430 V CA 0.195 62.435 62.300 -0.100 0.000 0.970 430 V CB 1.382 32.998 31.823 -0.344 0.000 1.001 430 V HN 0.876 nan 8.190 nan 0.000 0.476 431 S N 3.491 119.198 115.700 0.012 0.000 2.452 431 S HA 0.245 4.715 4.470 0.001 0.000 0.284 431 S C 1.302 175.941 174.600 0.065 0.000 1.171 431 S CA -0.075 58.152 58.200 0.045 0.000 1.064 431 S CB 1.046 64.325 63.200 0.132 0.000 0.967 431 S HN 0.969 nan 8.310 nan 0.000 0.484 432 T N 2.578 117.166 114.554 0.057 0.000 3.035 432 T HA 0.476 4.826 4.350 0.001 0.000 0.259 432 T C 0.566 175.488 174.700 0.370 0.000 1.078 432 T CA 0.363 62.544 62.100 0.134 0.000 1.132 432 T CB 0.003 68.895 68.868 0.041 0.000 0.900 432 T HN 0.782 nan 8.240 nan 0.000 0.480 433 A N 0.439 123.440 122.820 0.301 0.000 2.572 433 A HA 0.556 4.877 4.320 0.001 0.000 0.295 433 A C -0.984 176.787 177.584 0.312 0.000 1.072 433 A CA -0.835 51.422 52.037 0.367 0.000 0.691 433 A CB 0.808 20.123 19.000 0.524 0.000 1.291 433 A HN 0.366 nan 8.150 nan 0.000 0.404 434 H N 0.887 120.089 119.070 0.220 0.000 2.848 434 H HA 0.172 4.728 4.556 0.001 0.000 0.341 434 H C 1.652 177.101 175.328 0.202 0.000 1.060 434 H CA 1.425 57.570 56.048 0.162 0.000 1.444 434 H CB 1.429 31.274 29.762 0.139 0.000 1.446 434 H HN 0.828 nan 8.280 nan 0.000 0.583 435 G N 4.672 113.627 108.800 0.257 0.000 2.499 435 G HA2 -0.205 3.756 3.960 0.001 0.000 0.221 435 G HA3 -0.205 3.756 3.960 0.001 0.000 0.221 435 G C 1.820 176.852 174.900 0.221 0.000 1.109 435 G CA 0.350 45.441 45.100 -0.014 0.000 0.749 435 G HN 0.658 nan 8.290 nan 0.000 0.568 436 L N -0.452 121.134 121.223 0.605 0.000 2.353 436 L HA -0.015 4.326 4.340 0.001 0.000 0.220 436 L C 2.510 179.444 176.870 0.106 0.000 1.133 436 L CA 0.897 55.948 54.840 0.351 0.000 0.798 436 L CB -0.073 42.020 42.059 0.056 0.000 0.922 436 L HN 0.221 nan 8.230 nan 0.000 0.445 437 K N -0.665 119.752 120.400 0.029 0.000 2.444 437 K HA 0.073 4.393 4.320 0.001 0.000 0.193 437 K C -0.122 176.074 176.600 -0.674 0.000 1.024 437 K CA 0.427 56.519 56.287 -0.326 0.000 1.077 437 K CB 0.353 32.591 32.500 -0.436 0.000 0.833 437 K HN 0.159 nan 8.250 nan 0.000 0.517 438 F N 0.127 120.086 119.950 0.016 0.000 2.619 438 F HA 0.073 4.601 4.527 0.001 0.000 0.382 438 F C 1.362 177.131 175.800 -0.052 0.000 1.466 438 F CA -0.542 57.437 58.000 -0.035 0.000 1.137 438 F CB 0.385 39.331 39.000 -0.089 0.000 1.205 438 F HN -0.087 nan 8.300 nan 0.000 0.525 439 T N -3.601 111.019 114.554 0.110 0.000 2.951 439 T HA -0.162 4.188 4.350 0.001 0.000 0.268 439 T C 1.876 176.643 174.700 0.112 0.000 1.073 439 T CA 1.228 63.407 62.100 0.132 0.000 1.134 439 T CB 0.040 69.006 68.868 0.163 0.000 0.884 439 T HN 0.205 nan 8.240 nan 0.000 0.479 440 Q N 2.286 122.138 119.800 0.087 0.000 2.119 440 Q HA -0.068 4.273 4.340 0.001 0.000 0.201 440 Q C 2.506 178.556 176.000 0.084 0.000 0.972 440 Q CA 2.086 57.935 55.803 0.076 0.000 0.847 440 Q CB -0.642 28.129 28.738 0.055 0.000 0.903 440 Q HN 0.770 nan 8.270 nan 0.000 0.433 441 S N -0.655 115.098 115.700 0.088 0.000 2.383 441 S HA -0.121 4.350 4.470 0.001 0.000 0.227 441 S C 1.807 176.456 174.600 0.081 0.000 1.026 441 S CA 1.065 59.305 58.200 0.068 0.000 0.981 441 S CB -0.220 63.001 63.200 0.036 0.000 0.818 441 S HN 0.297 nan 8.310 nan 0.000 0.472 442 K N 1.085 121.537 120.400 0.086 0.000 2.057 442 K HA 0.166 4.486 4.320 0.001 0.000 0.206 442 K C 2.034 178.806 176.600 0.287 0.000 1.050 442 K CA 1.453 57.840 56.287 0.167 0.000 0.935 442 K CB -0.442 32.135 32.500 0.127 0.000 0.715 442 K HN 0.363 nan 8.250 nan 0.000 0.439 443 I N 1.460 122.148 120.570 0.196 0.000 2.163 443 I HA -0.319 3.852 4.170 0.001 0.000 0.243 443 I C 1.627 177.831 176.117 0.145 0.000 1.085 443 I CA 1.312 62.713 61.300 0.169 0.000 1.347 443 I CB -0.245 37.822 38.000 0.111 0.000 1.044 443 I HN 0.170 nan 8.210 nan 0.000 0.408 444 D N -0.171 120.297 120.400 0.112 0.000 2.097 444 D HA -0.236 4.404 4.640 0.001 0.000 0.195 444 D C 1.946 178.282 176.300 0.059 0.000 0.989 444 D CA 1.373 55.416 54.000 0.071 0.000 0.827 444 D CB -0.475 40.357 40.800 0.054 0.000 0.966 444 D HN 0.363 nan 8.370 nan 0.000 0.456 445 Y N 1.165 121.430 120.300 -0.058 0.000 2.145 445 Y HA -0.227 4.323 4.550 0.001 0.000 0.286 445 Y C 2.242 178.022 175.900 -0.200 0.000 1.145 445 Y CA 1.742 59.740 58.100 -0.169 0.000 1.148 445 Y CB -0.164 38.129 38.460 -0.278 0.000 0.981 445 Y HN 0.149 nan 8.280 nan 0.000 0.507 446 H N -1.158 118.023 119.070 0.184 0.000 2.551 446 H HA 0.078 4.634 4.556 0.001 0.000 0.266 446 H C 1.791 177.126 175.328 0.012 0.000 0.977 446 H CA 1.107 57.221 56.048 0.110 0.000 1.163 446 H CB -0.064 29.796 29.762 0.163 0.000 1.381 446 H HN 0.414 nan 8.280 nan 0.000 0.581 447 S N -0.287 115.456 115.700 0.072 0.000 2.568 447 S HA 0.020 4.491 4.470 0.001 0.000 0.232 447 S C 0.314 174.888 174.600 -0.043 0.000 0.975 447 S CA -0.380 57.833 58.200 0.021 0.000 0.949 447 S CB -0.092 63.128 63.200 0.034 0.000 0.829 447 S HN 0.256 nan 8.310 nan 0.000 0.479 448 N N 1.052 119.682 118.700 -0.117 0.000 2.721 448 N HA -0.182 4.559 4.740 0.001 0.000 0.249 448 N C 0.383 175.827 175.510 -0.110 0.000 1.072 448 N CA 0.807 53.757 53.050 -0.167 0.000 0.710 448 N CB -1.437 36.964 38.487 -0.143 0.000 0.993 448 N HN 0.704 nan 8.380 nan 0.000 0.547 449 A N -0.560 122.213 122.820 -0.079 0.000 2.423 449 A HA 0.389 4.710 4.320 0.001 0.000 0.246 449 A C 0.437 177.998 177.584 -0.039 0.000 1.278 449 A CA -0.243 51.768 52.037 -0.044 0.000 0.903 449 A CB 0.277 19.267 19.000 -0.016 0.000 0.997 449 A HN 0.356 nan 8.150 nan 0.000 0.510 450 I N 2.804 123.338 120.570 -0.060 0.000 2.291 450 I HA 0.236 4.406 4.170 0.001 0.000 0.290 450 I C -2.181 173.904 176.117 -0.053 0.000 1.050 450 I CA -2.109 59.166 61.300 -0.042 0.000 1.245 450 I CB 1.301 39.285 38.000 -0.026 0.000 1.405 450 I HN 0.104 nan 8.210 nan 0.000 0.478 451 P HA 0.088 nan 4.420 nan 0.000 0.271 451 P C -0.515 176.761 177.300 -0.040 0.000 1.218 451 P CA 0.132 63.208 63.100 -0.040 0.000 0.780 451 P CB 0.552 32.235 31.700 -0.028 0.000 0.901 452 D N -1.155 119.219 120.400 -0.043 0.000 2.870 452 D HA -0.179 4.461 4.640 0.001 0.000 0.228 452 D C -0.030 176.240 176.300 -0.050 0.000 1.147 452 D CA 1.171 55.146 54.000 -0.042 0.000 0.757 452 D CB -1.672 39.109 40.800 -0.032 0.000 1.091 452 D HN 0.483 nan 8.370 nan 0.000 0.429 453 M N -0.915 118.644 119.600 -0.068 0.000 2.284 453 M HA 0.514 4.995 4.480 0.001 0.000 0.281 453 M C 0.283 176.503 176.300 -0.133 0.000 1.083 453 M CA -0.370 54.879 55.300 -0.084 0.000 0.965 453 M CB 1.808 34.369 32.600 -0.064 0.000 1.717 453 M HN -0.105 nan 8.290 nan 0.000 0.479 454 A N 1.618 124.348 122.820 -0.151 0.000 2.066 454 A HA 0.079 4.400 4.320 0.001 0.000 0.218 454 A C 0.826 178.235 177.584 -0.292 0.000 1.157 454 A CA 1.020 52.944 52.037 -0.190 0.000 0.670 454 A CB -0.756 18.139 19.000 -0.175 0.000 0.804 454 A HN 1.102 nan 8.150 nan 0.000 0.453 455 C N -0.305 118.758 119.300 -0.396 0.000 4.056 455 C HA -0.179 4.281 4.460 0.001 0.000 0.302 455 C C 1.850 176.486 174.990 -0.589 0.000 1.356 455 C CA 0.784 59.316 59.018 -0.811 0.000 2.074 455 C CB -2.971 24.194 27.740 -0.959 0.000 1.328 455 C HN 0.819 nan 8.230 nan 0.000 0.684 456 R N -0.480 119.734 120.500 -0.476 0.000 2.193 456 R HA -0.064 4.276 4.340 0.001 0.000 0.229 456 R C 0.826 176.848 176.300 -0.463 0.000 1.110 456 R CA 1.824 57.602 56.100 -0.535 0.000 0.988 456 R CB -0.313 29.542 30.300 -0.742 0.000 0.871 456 R HN 0.532 nan 8.270 nan 0.000 0.458 457 F N 2.085 122.094 119.950 0.100 0.000 2.684 457 F HA 0.251 4.779 4.527 0.001 0.000 0.298 457 F C 0.450 176.404 175.800 0.257 0.000 1.120 457 F CA -1.082 57.029 58.000 0.185 0.000 1.332 457 F CB 0.065 39.182 39.000 0.195 0.000 0.986 457 F HN -0.028 nan 8.300 nan 0.000 0.524 458 S N 0.034 115.835 115.700 0.169 0.000 2.568 458 S HA 0.046 4.516 4.470 0.001 0.000 0.282 458 S C 0.229 175.026 174.600 0.329 0.000 1.338 458 S CA -0.466 57.839 58.200 0.175 0.000 1.045 458 S CB 0.817 63.930 63.200 -0.145 0.000 0.873 458 S HN 0.329 nan 8.310 nan 0.000 0.516 459 N N 2.577 121.590 118.700 0.522 0.000 2.886 459 N HA 0.362 5.102 4.740 0.001 0.000 0.285 459 N C -2.768 172.815 175.510 0.121 0.000 1.706 459 N CA -1.954 51.233 53.050 0.228 0.000 0.904 459 N CB 0.423 38.990 38.487 0.134 0.000 1.224 459 N HN 0.493 nan 8.380 nan 0.000 0.488 460 P HA 0.243 nan 4.420 nan 0.000 0.271 460 P C -2.488 174.818 177.300 0.009 0.000 1.216 460 P CA -0.782 62.349 63.100 0.053 0.000 0.776 460 P CB -0.014 31.707 31.700 0.035 0.000 0.881 461 P HA 0.074 nan 4.420 nan 0.000 0.269 461 P C -0.406 176.878 177.300 -0.027 0.000 1.209 461 P CA 0.011 63.094 63.100 -0.029 0.000 0.776 461 P CB 0.457 32.142 31.700 -0.025 0.000 0.876 462 V N 3.037 122.925 119.914 -0.043 0.000 2.567 462 V HA 0.136 4.257 4.120 0.001 0.000 0.289 462 V C 0.492 176.568 176.094 -0.029 0.000 1.049 462 V CA -0.335 61.944 62.300 -0.035 0.000 0.969 462 V CB 1.032 32.827 31.823 -0.046 0.000 0.995 462 V HN 0.523 nan 8.190 nan 0.000 0.471 463 D N 3.384 123.772 120.400 -0.021 0.000 2.277 463 D HA 0.514 5.154 4.640 0.001 0.000 0.249 463 D C -0.540 175.750 176.300 -0.017 0.000 1.134 463 D CA 0.150 54.140 54.000 -0.016 0.000 0.863 463 D CB 2.008 42.801 40.800 -0.011 0.000 1.143 463 D HN 0.288 nan 8.370 nan 0.000 0.458 464 V N 1.695 121.600 119.914 -0.016 0.000 3.049 464 V HA 0.317 4.438 4.120 0.001 0.000 0.309 464 V C 0.046 176.136 176.094 -0.007 0.000 1.148 464 V CA -1.118 61.174 62.300 -0.014 0.000 0.990 464 V CB 2.370 34.180 31.823 -0.022 0.000 1.039 464 V HN 0.270 nan 8.190 nan 0.000 0.430 465 K N 1.386 121.784 120.400 -0.002 0.000 2.117 465 K HA 0.686 5.007 4.320 0.001 0.000 0.240 465 K C 0.649 177.257 176.600 0.012 0.000 1.031 465 K CA 0.164 56.455 56.287 0.005 0.000 0.909 465 K CB 0.443 32.948 32.500 0.008 0.000 1.097 465 K HN 0.918 nan 8.250 nan 0.000 0.492 466 A N 1.354 124.185 122.820 0.020 0.000 2.958 466 A HA 0.057 4.378 4.320 0.001 0.000 0.247 466 A C -0.692 176.923 177.584 0.051 0.000 1.679 466 A CA 0.108 52.164 52.037 0.032 0.000 1.345 466 A CB -1.219 17.798 19.000 0.028 0.000 1.013 466 A HN 0.594 nan 8.150 nan 0.000 0.641 467 D N -1.296 119.134 120.400 0.051 0.000 2.391 467 D HA 0.432 5.073 4.640 0.001 0.000 0.245 467 D C 0.571 176.930 176.300 0.099 0.000 1.069 467 D CA -0.630 53.416 54.000 0.076 0.000 0.831 467 D CB 0.554 41.383 40.800 0.047 0.000 1.204 467 D HN 0.145 nan 8.370 nan 0.000 0.503 468 F N 3.421 123.374 119.950 0.004 0.000 2.075 468 F HA 0.044 4.572 4.527 0.001 0.000 0.297 468 F C 2.036 177.840 175.800 0.007 0.000 1.113 468 F CA 2.236 60.239 58.000 0.005 0.000 1.218 468 F CB -0.391 38.613 39.000 0.005 0.000 0.984 468 F HN 0.520 nan 8.300 nan 0.000 0.472 469 G N -0.413 108.401 108.800 0.024 0.000 2.442 469 G HA2 -0.238 3.722 3.960 0.001 0.000 0.219 469 G HA3 -0.238 3.722 3.960 0.001 0.000 0.219 469 G C 1.777 176.607 174.900 -0.117 0.000 1.141 469 G CA 0.892 45.949 45.100 -0.072 0.000 0.763 469 G HN 0.645 nan 8.290 nan 0.000 0.554 470 A N 0.095 122.874 122.820 -0.068 0.000 1.873 470 A HA 0.128 4.448 4.320 0.001 0.000 0.215 470 A C 2.592 180.120 177.584 -0.092 0.000 1.186 470 A CA 1.683 53.685 52.037 -0.059 0.000 0.616 470 A CB -0.663 18.322 19.000 -0.025 0.000 0.823 470 A HN 0.242 nan 8.150 nan 0.000 0.442 471 V N 0.125 119.968 119.914 -0.118 0.000 2.392 471 V HA -0.305 3.815 4.120 0.001 0.000 0.249 471 V C 2.700 178.684 176.094 -0.184 0.000 1.059 471 V CA 2.029 64.252 62.300 -0.130 0.000 1.051 471 V CB -0.665 31.092 31.823 -0.110 0.000 0.658 471 V HN 0.498 nan 8.190 nan 0.000 0.455 472 M N -0.532 118.878 119.600 -0.317 0.000 2.099 472 M HA -0.138 4.342 4.480 0.001 0.000 0.262 472 M C 2.038 178.246 176.300 -0.152 0.000 1.067 472 M CA 1.706 56.820 55.300 -0.311 0.000 1.124 472 M CB -1.252 31.044 32.600 -0.507 0.000 1.353 472 M HN 0.341 nan 8.290 nan 0.000 0.410 473 D N 0.131 120.458 120.400 -0.122 0.000 2.178 473 D HA -0.098 4.542 4.640 0.001 0.000 0.201 473 D C 2.198 178.478 176.300 -0.032 0.000 0.980 473 D CA 0.927 54.890 54.000 -0.061 0.000 0.842 473 D CB -0.221 40.551 40.800 -0.046 0.000 0.948 473 D HN 0.135 nan 8.370 nan 0.000 0.472 474 V N 0.759 120.650 119.914 -0.038 0.000 2.307 474 V HA -0.190 3.930 4.120 0.001 0.000 0.245 474 V C 2.604 178.710 176.094 0.020 0.000 1.045 474 V CA 1.096 63.388 62.300 -0.013 0.000 1.024 474 V CB -0.399 31.405 31.823 -0.031 0.000 0.651 474 V HN 0.193 nan 8.190 nan 0.000 0.449 475 L N -0.654 120.571 121.223 0.002 0.000 2.093 475 L HA -0.160 4.181 4.340 0.001 0.000 0.208 475 L C 2.623 179.541 176.870 0.080 0.000 1.085 475 L CA 1.551 56.426 54.840 0.058 0.000 0.755 475 L CB -0.520 41.545 42.059 0.010 0.000 0.904 475 L HN 0.269 nan 8.230 nan 0.000 0.435 476 K N -0.164 120.247 120.400 0.019 0.000 2.057 476 K HA -0.146 4.175 4.320 0.001 0.000 0.207 476 K C 2.273 178.886 176.600 0.022 0.000 1.049 476 K CA 1.774 58.066 56.287 0.009 0.000 0.931 476 K CB -0.120 32.372 32.500 -0.014 0.000 0.714 476 K HN 0.388 nan 8.250 nan 0.000 0.440 477 S N -0.070 115.653 115.700 0.039 0.000 2.453 477 S HA -0.150 4.321 4.470 0.001 0.000 0.231 477 S C 1.897 176.546 174.600 0.082 0.000 1.005 477 S CA 0.543 58.770 58.200 0.045 0.000 0.949 477 S CB -0.424 62.800 63.200 0.041 0.000 0.774 477 S HN 0.376 nan 8.310 nan 0.000 0.510 478 Y N 2.318 122.612 120.300 -0.011 0.000 2.243 478 Y HA 0.266 4.816 4.550 0.001 0.000 0.293 478 Y C 1.780 177.678 175.900 -0.003 0.000 1.124 478 Y CA 0.795 58.892 58.100 -0.004 0.000 1.159 478 Y CB -0.376 38.081 38.460 -0.004 0.000 1.008 478 Y HN 0.182 nan 8.280 nan 0.000 0.527 479 L N -0.493 120.648 121.223 -0.136 0.000 2.291 479 L HA 0.003 4.343 4.340 0.001 0.000 0.214 479 L C 2.513 179.292 176.870 -0.152 0.000 1.120 479 L CA 0.933 55.648 54.840 -0.207 0.000 0.799 479 L CB -0.806 41.214 42.059 -0.064 0.000 0.925 479 L HN 0.370 nan 8.230 nan 0.000 0.446 480 G N -1.046 107.699 108.800 -0.092 0.000 2.484 480 G HA2 -0.153 3.808 3.960 0.001 0.000 0.218 480 G HA3 -0.153 3.808 3.960 0.001 0.000 0.218 480 G C 1.625 176.479 174.900 -0.078 0.000 1.130 480 G CA 0.563 45.624 45.100 -0.065 0.000 0.784 480 G HN 0.332 nan 8.290 nan 0.000 0.543 481 S N -0.248 115.386 115.700 -0.111 0.000 2.481 481 S HA 0.231 4.701 4.470 0.001 0.000 0.231 481 S C 1.090 175.621 174.600 -0.115 0.000 0.996 481 S CA 0.911 59.053 58.200 -0.096 0.000 0.942 481 S CB -0.361 62.787 63.200 -0.087 0.000 0.768 481 S HN 1.023 nan 8.310 nan 0.000 0.520 482 N N 0.000 118.609 118.700 -0.152 0.000 1.763 482 N HA 0.000 4.740 4.740 0.001 0.000 0.220 482 N CA 0.000 nan 53.050 nan 0.000 0.885 482 N CB 0.000 nan 38.487 nan 0.000 1.341 482 N HN 0.000 nan 8.380 nan 0.000 0.667