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 2ggj_1_C DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTCIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.522 176.300 0.369 0.000 0.893 6 R CA 0.000 56.247 56.100 0.245 0.000 0.921 6 R CB 0.000 30.386 30.300 0.143 0.000 0.687 7 M N 1.447 121.192 119.600 0.242 0.000 2.245 7 M HA 0.329 4.809 4.480 0.000 0.000 0.330 7 M C -0.552 175.924 176.300 0.293 0.000 1.098 7 M CA 0.241 55.664 55.300 0.205 0.000 1.172 7 M CB 0.127 32.740 32.600 0.022 0.000 1.467 7 M HN 0.555 nan 8.290 nan 0.000 0.454 8 F N -0.197 119.838 119.950 0.143 0.000 2.551 8 F HA 0.678 5.205 4.527 -0.000 0.000 0.316 8 F C -0.852 175.032 175.800 0.140 0.000 1.089 8 F CA -1.169 56.925 58.000 0.157 0.000 0.915 8 F CB 1.167 40.301 39.000 0.224 0.000 1.186 8 F HN 0.416 nan 8.300 nan 0.000 0.456 9 K N 4.940 125.464 120.400 0.206 0.000 2.265 9 K HA 0.537 4.857 4.320 0.000 0.000 0.267 9 K C -1.090 175.645 176.600 0.224 0.000 0.994 9 K CA -0.638 55.712 56.287 0.104 0.000 0.860 9 K CB 1.089 33.619 32.500 0.051 0.000 1.099 9 K HN 0.868 nan 8.250 nan 0.000 0.448 10 I N 4.660 125.383 120.570 0.254 0.000 2.363 10 I HA 0.015 4.185 4.170 0.000 0.000 0.292 10 I C 0.880 177.109 176.117 0.186 0.000 1.075 10 I CA 0.103 61.563 61.300 0.267 0.000 1.333 10 I CB 1.043 39.226 38.000 0.305 0.000 1.415 10 I HN 0.780 nan 8.210 nan 0.000 0.502 11 E N 4.315 124.621 120.200 0.176 0.000 2.166 11 E HA 0.229 4.579 4.350 0.000 0.000 0.192 11 E C 0.386 177.070 176.600 0.140 0.000 0.967 11 E CA 0.301 56.782 56.400 0.135 0.000 0.840 11 E CB 0.468 30.236 29.700 0.114 0.000 0.795 11 E HN 0.770 nan 8.360 nan 0.000 0.470 12 A N 0.015 122.949 122.820 0.191 0.000 2.566 12 A HA 0.839 5.159 4.320 0.000 0.000 0.292 12 A C -1.568 176.168 177.584 0.254 0.000 1.112 12 A CA -0.288 51.869 52.037 0.200 0.000 0.707 12 A CB 1.835 20.925 19.000 0.150 0.000 1.302 12 A HN 0.085 nan 8.150 nan 0.000 0.409 13 A N 0.602 123.564 122.820 0.236 0.000 2.455 13 A HA 0.743 5.063 4.320 0.000 0.000 0.300 13 A C -1.059 176.655 177.584 0.217 0.000 1.040 13 A CA -0.437 51.726 52.037 0.210 0.000 0.697 13 A CB 1.178 20.276 19.000 0.165 0.000 1.265 13 A HN 0.728 nan 8.150 nan 0.000 0.407 14 E N 1.551 121.855 120.200 0.174 0.000 2.187 14 E HA 0.525 4.875 4.350 0.000 0.000 0.268 14 E C -1.236 175.430 176.600 0.111 0.000 0.896 14 E CA -0.487 56.000 56.400 0.145 0.000 0.766 14 E CB 2.373 32.156 29.700 0.138 0.000 1.142 14 E HN 0.577 nan 8.360 nan 0.000 0.408 15 I N 2.816 123.456 120.570 0.116 0.000 2.339 15 I HA 0.267 4.437 4.170 0.000 0.000 0.290 15 I C -0.732 175.412 176.117 0.045 0.000 0.994 15 I CA -0.869 60.477 61.300 0.076 0.000 1.191 15 I CB 1.367 39.421 38.000 0.090 0.000 1.343 15 I HN 0.169 nan 8.210 nan 0.000 0.458 16 V N 7.453 127.381 119.914 0.022 0.000 2.409 16 V HA 0.306 4.426 4.120 0.000 0.000 0.290 16 V C -0.150 175.935 176.094 -0.015 0.000 1.017 16 V CA -0.664 61.637 62.300 0.002 0.000 0.841 16 V CB 1.988 33.811 31.823 -0.000 0.000 1.003 16 V HN 0.374 nan 8.190 nan 0.000 0.426 17 V N 4.369 124.269 119.914 -0.022 0.000 2.370 17 V HA 0.798 4.918 4.120 0.000 0.000 0.279 17 V C 0.552 176.616 176.094 -0.051 0.000 1.029 17 V CA -0.290 61.991 62.300 -0.032 0.000 0.870 17 V CB 1.443 33.251 31.823 -0.025 0.000 0.984 17 V HN 0.951 nan 8.190 nan 0.000 0.451 18 A N 5.212 127.993 122.820 -0.065 0.000 2.320 18 A HA 0.860 5.180 4.320 0.000 0.000 0.334 18 A C -0.141 177.401 177.584 -0.070 0.000 1.147 18 A CA -0.850 51.133 52.037 -0.090 0.000 0.820 18 A CB 1.084 20.009 19.000 -0.125 0.000 1.218 18 A HN 0.819 nan 8.150 nan 0.000 0.482 19 R N 1.692 122.154 120.500 -0.064 0.000 2.337 19 R HA 0.545 4.885 4.340 0.000 0.000 0.319 19 R C -1.949 174.383 176.300 0.053 0.000 0.954 19 R CA -0.509 55.589 56.100 -0.002 0.000 0.840 19 R CB 0.759 31.040 30.300 -0.031 0.000 1.164 19 R HN 0.576 nan 8.270 nan 0.000 0.472 20 L N 7.298 128.564 121.223 0.072 0.000 2.305 20 L HA 0.567 4.907 4.340 0.000 0.000 0.284 20 L C -2.335 174.669 176.870 0.224 0.000 1.013 20 L CA -2.375 52.490 54.840 0.042 0.000 0.819 20 L CB 1.551 43.436 42.059 -0.291 0.000 1.227 20 L HN 0.552 nan 8.230 nan 0.000 0.417 21 P HA 0.096 nan 4.420 nan 0.000 0.271 21 P C -0.459 176.977 177.300 0.226 0.000 1.220 21 P CA -0.126 62.968 63.100 -0.009 0.000 0.768 21 P CB 0.696 32.390 31.700 -0.010 0.000 0.848 22 L N 2.678 123.962 121.223 0.103 0.000 2.439 22 L HA 0.165 4.505 4.340 0.000 0.000 0.269 22 L C 1.567 178.459 176.870 0.038 0.000 1.179 22 L CA -0.165 54.737 54.840 0.104 0.000 0.828 22 L CB 0.046 42.107 42.059 0.004 0.000 1.106 22 L HN 0.421 nan 8.230 nan 0.000 0.467 35 H N 0.754 119.884 119.070 0.099 0.000 2.985 35 H HA 0.787 5.343 4.556 0.000 0.000 0.360 35 H C -1.282 174.129 175.328 0.138 0.000 1.221 35 H CA -0.794 55.331 56.048 0.128 0.000 1.121 35 H CB 2.649 32.462 29.762 0.085 0.000 1.854 35 H HN 0.122 nan 8.280 nan 0.000 0.551 36 K N 1.045 121.624 120.400 0.299 0.000 2.482 36 K HA 0.351 4.671 4.320 0.000 0.000 0.251 36 K C -1.693 174.989 176.600 0.137 0.000 0.936 36 K CA -0.584 55.839 56.287 0.226 0.000 0.791 36 K CB 1.550 34.260 32.500 0.350 0.000 1.213 36 K HN 0.297 nan 8.250 nan 0.000 0.428 37 V N 3.910 123.872 119.914 0.081 0.000 2.498 37 V HA 0.400 4.520 4.120 0.000 0.000 0.279 37 V C -0.387 175.707 176.094 0.001 0.000 1.048 37 V CA -0.834 61.482 62.300 0.027 0.000 0.967 37 V CB 1.272 33.105 31.823 0.016 0.000 0.988 37 V HN 0.539 nan 8.190 nan 0.000 0.473 38 V N 7.245 127.137 119.914 -0.036 0.000 2.326 38 V HA 0.357 4.477 4.120 0.000 0.000 0.281 38 V C -2.478 173.589 176.094 -0.045 0.000 1.015 38 V CA -1.705 60.562 62.300 -0.054 0.000 0.823 38 V CB 1.691 33.450 31.823 -0.108 0.000 1.009 38 V HN 0.787 nan 8.190 nan 0.000 0.436 39 P HA 0.429 nan 4.420 nan 0.000 0.292 39 P C -0.797 176.489 177.300 -0.023 0.000 1.326 39 P CA -0.175 62.911 63.100 -0.023 0.000 0.787 39 P CB 0.784 32.474 31.700 -0.015 0.000 0.903 40 L N 3.867 125.080 121.223 -0.018 0.000 2.309 40 L HA 0.542 4.882 4.340 0.000 0.000 0.282 40 L C 0.030 176.902 176.870 0.004 0.000 1.036 40 L CA -1.110 53.723 54.840 -0.011 0.000 0.806 40 L CB 1.473 43.526 42.059 -0.011 0.000 1.220 40 L HN 0.218 nan 8.230 nan 0.000 0.429 41 L N 4.344 125.570 121.223 0.005 0.000 2.322 41 L HA 0.601 4.941 4.340 0.000 0.000 0.281 41 L C -0.700 176.174 176.870 0.006 0.000 1.014 41 L CA 0.009 54.859 54.840 0.017 0.000 0.815 41 L CB 1.465 43.535 42.059 0.018 0.000 1.247 41 L HN 0.374 nan 8.230 nan 0.000 0.421 42 I N 6.185 126.755 120.570 -0.001 0.000 2.410 42 I HA 0.361 4.531 4.170 0.000 0.000 0.286 42 I C -0.882 175.160 176.117 -0.125 0.000 1.009 42 I CA -0.515 60.739 61.300 -0.076 0.000 1.111 42 I CB 1.531 39.478 38.000 -0.089 0.000 1.262 42 I HN 0.408 nan 8.210 nan 0.000 0.443 43 L N 5.774 126.910 121.223 -0.145 0.000 2.295 43 L HA 0.489 4.829 4.340 0.000 0.000 0.285 43 L C -0.394 176.355 176.870 -0.201 0.000 1.035 43 L CA -0.669 54.121 54.840 -0.083 0.000 0.806 43 L CB 0.979 43.049 42.059 0.017 0.000 1.214 43 L HN 0.507 nan 8.230 nan 0.000 0.426 44 H N 2.304 121.430 119.070 0.094 0.000 2.511 44 H HA 0.651 5.207 4.556 -0.000 0.000 0.328 44 H C -0.130 175.266 175.328 0.112 0.000 1.044 44 H CA -0.467 55.632 56.048 0.086 0.000 1.212 44 H CB 2.142 31.946 29.762 0.070 0.000 1.428 44 H HN 0.779 nan 8.280 nan 0.000 0.483 45 G N 1.662 110.591 108.800 0.216 0.000 2.752 45 G HA2 0.238 4.198 3.960 0.000 0.000 0.298 45 G HA3 0.238 4.198 3.960 0.000 0.000 0.298 45 G C -0.723 174.278 174.900 0.167 0.000 1.434 45 G CA -0.805 44.420 45.100 0.209 0.000 1.004 45 G HN 0.438 nan 8.290 nan 0.000 0.560 46 E N -0.145 120.146 120.200 0.151 0.000 2.476 46 E HA -0.255 4.095 4.350 0.000 0.000 0.251 46 E C 1.469 178.122 176.600 0.088 0.000 1.130 46 E CA 1.886 58.359 56.400 0.121 0.000 0.736 46 E CB -1.544 28.243 29.700 0.146 0.000 1.298 46 E HN 2.495 nan 8.360 nan 0.000 0.400 47 G N -1.936 106.918 108.800 0.088 0.000 2.189 47 G HA2 -0.362 3.598 3.960 0.000 0.000 0.267 47 G HA3 -0.362 3.598 3.960 0.000 0.000 0.267 47 G C 0.532 175.475 174.900 0.072 0.000 0.975 47 G CA 1.258 46.401 45.100 0.072 0.000 0.644 47 G HN 1.038 nan 8.290 nan 0.000 0.537 48 V N -3.182 116.779 119.914 0.077 0.000 3.145 48 V HA 0.982 5.102 4.120 0.000 0.000 0.311 48 V C -0.295 175.837 176.094 0.063 0.000 1.238 48 V CA -0.240 62.091 62.300 0.053 0.000 1.066 48 V CB 1.712 33.539 31.823 0.006 0.000 1.144 48 V HN 1.015 nan 8.190 nan 0.000 0.465 49 Q N 0.148 119.951 119.800 0.006 0.000 2.456 49 Q HA 0.803 5.143 4.340 0.000 0.000 0.283 49 Q C -0.593 175.364 176.000 -0.072 0.000 1.084 49 Q CA -0.700 55.057 55.803 -0.078 0.000 0.801 49 Q CB 2.332 30.959 28.738 -0.185 0.000 1.434 49 Q HN 1.243 nan 8.270 nan 0.000 0.419 50 G N 0.473 109.222 108.800 -0.084 0.000 2.461 50 G HA2 0.585 4.545 3.960 0.000 0.000 0.323 50 G HA3 0.585 4.545 3.960 0.000 0.000 0.323 50 G C -1.127 173.769 174.900 -0.006 0.000 1.229 50 G CA -0.666 44.422 45.100 -0.020 0.000 0.941 50 G HN 0.388 nan 8.290 nan 0.000 0.477 51 V N 0.630 120.582 119.914 0.063 0.000 2.588 51 V HA 0.878 4.998 4.120 0.000 0.000 0.304 51 V C 0.198 176.404 176.094 0.186 0.000 1.042 51 V CA -0.666 61.682 62.300 0.080 0.000 0.877 51 V CB 1.159 33.017 31.823 0.059 0.000 0.996 51 V HN 1.237 nan 8.190 nan 0.000 0.425 52 A N 3.235 126.095 122.820 0.066 0.000 2.556 52 A HA 0.891 5.211 4.320 0.000 0.000 0.294 52 A C -0.999 176.548 177.584 -0.063 0.000 1.091 52 A CA -0.644 51.355 52.037 -0.064 0.000 0.704 52 A CB 2.037 20.937 19.000 -0.166 0.000 1.300 52 A HN 0.868 nan 8.150 nan 0.000 0.406 53 E N 0.855 120.990 120.200 -0.108 0.000 2.222 53 E HA 0.554 4.904 4.350 0.000 0.000 0.267 53 E C 0.113 176.669 176.600 -0.072 0.000 0.884 53 E CA -0.657 55.706 56.400 -0.063 0.000 0.764 53 E CB 1.695 31.371 29.700 -0.039 0.000 1.169 53 E HN 0.953 nan 8.360 nan 0.000 0.413 54 G N 1.206 109.978 108.800 -0.045 0.000 2.467 54 G HA2 0.216 4.176 3.960 0.000 0.000 0.257 54 G HA3 0.216 4.176 3.960 0.000 0.000 0.257 54 G C 0.608 175.487 174.900 -0.034 0.000 1.227 54 G CA 0.060 45.139 45.100 -0.035 0.000 0.835 54 G HN 0.609 nan 8.290 nan 0.000 0.556 55 T N -0.154 114.381 114.554 -0.033 0.000 3.044 55 T HA 0.195 4.545 4.350 0.000 0.000 0.260 55 T C 1.084 175.772 174.700 -0.020 0.000 1.019 55 T CA -0.377 61.699 62.100 -0.040 0.000 0.921 55 T CB -0.041 68.788 68.868 -0.065 0.000 1.053 55 T HN 0.517 nan 8.240 nan 0.000 0.533 56 M N 1.516 121.116 119.600 -0.000 0.000 2.242 56 M HA 0.557 5.037 4.480 0.000 0.000 0.344 56 M C -0.643 175.661 176.300 0.007 0.000 1.140 56 M CA -0.171 55.137 55.300 0.014 0.000 1.160 56 M CB 0.313 32.921 32.600 0.013 0.000 1.491 56 M HN 0.039 nan 8.290 nan 0.000 0.459 57 E N 1.823 122.031 120.200 0.014 0.000 2.267 57 E HA 0.608 4.958 4.350 0.000 0.000 0.258 57 E C 1.034 177.636 176.600 0.004 0.000 1.074 57 E CA -0.321 56.086 56.400 0.012 0.000 0.915 57 E CB 0.841 30.552 29.700 0.019 0.000 1.186 57 E HN 0.780 nan 8.360 nan 0.000 0.439 58 A N 1.190 124.014 122.820 0.006 0.000 1.908 58 A HA -0.136 4.184 4.320 0.000 0.000 0.218 58 A C 0.825 178.406 177.584 -0.006 0.000 1.181 58 A CA 1.423 53.460 52.037 -0.000 0.000 0.627 58 A CB -0.173 18.829 19.000 0.003 0.000 0.818 58 A HN 0.426 nan 8.150 nan 0.000 0.445 59 R N -1.248 119.249 120.500 -0.005 0.000 2.873 59 R HA 0.447 4.787 4.340 0.000 0.000 0.264 59 R C -2.927 173.358 176.300 -0.024 0.000 1.026 59 R CA -2.201 53.891 56.100 -0.013 0.000 1.002 59 R CB 0.934 31.228 30.300 -0.010 0.000 1.174 59 R HN -0.036 nan 8.270 nan 0.000 0.488 60 P HA 0.184 nan 4.420 nan 0.000 0.238 60 P C -0.504 176.725 177.300 -0.119 0.000 1.794 60 P CA 0.205 63.253 63.100 -0.087 0.000 1.088 60 P CB 0.389 32.029 31.700 -0.101 0.000 1.923 61 M N 0.077 119.630 119.600 -0.079 0.000 2.800 61 M HA 0.081 4.561 4.480 0.000 0.000 0.257 61 M C 1.637 177.881 176.300 -0.093 0.000 1.309 61 M CA 0.855 56.112 55.300 -0.072 0.000 1.202 61 M CB -0.144 32.450 32.600 -0.010 0.000 1.273 61 M HN 0.087 nan 8.290 nan 0.000 0.528 62 Y N 0.604 120.815 120.300 -0.149 0.000 2.314 62 Y HA 0.202 4.752 4.550 -0.000 0.000 0.294 62 Y C 1.268 177.001 175.900 -0.279 0.000 1.119 62 Y CA 0.948 58.955 58.100 -0.155 0.000 1.179 62 Y CB 0.563 38.972 38.460 -0.084 0.000 1.025 62 Y HN -0.039 nan 8.280 nan 0.000 0.541 63 R N -0.916 119.348 120.500 -0.393 0.000 3.174 63 R HA 0.072 4.412 4.340 0.000 0.000 0.261 63 R C 0.888 176.943 176.300 -0.409 0.000 1.071 63 R CA 0.151 55.877 56.100 -0.624 0.000 0.936 63 R CB 0.454 30.491 30.300 -0.437 0.000 1.436 63 R HN 0.110 nan 8.270 nan 0.000 0.424 64 E N 1.037 121.041 120.200 -0.328 0.000 2.385 64 E HA 0.016 4.366 4.350 0.000 0.000 0.194 64 E C -0.631 175.926 176.600 -0.072 0.000 1.013 64 E CA 0.870 57.165 56.400 -0.175 0.000 0.866 64 E CB 0.330 30.000 29.700 -0.050 0.000 0.832 64 E HN 0.430 nan 8.360 nan 0.000 0.500 65 E N 1.249 121.423 120.200 -0.043 0.000 2.349 65 E HA 0.257 4.607 4.350 0.000 0.000 0.262 65 E C -0.250 176.340 176.600 -0.017 0.000 1.088 65 E CA 0.007 56.400 56.400 -0.012 0.000 0.899 65 E CB 1.204 30.912 29.700 0.013 0.000 1.044 65 E HN 0.257 nan 8.360 nan 0.000 0.420 66 T N -1.848 112.696 114.554 -0.016 0.000 2.906 66 T HA 0.393 4.743 4.350 0.000 0.000 0.295 66 T C 1.079 175.769 174.700 -0.016 0.000 1.075 66 T CA -0.788 61.303 62.100 -0.016 0.000 1.005 66 T CB 0.774 69.630 68.868 -0.021 0.000 1.136 66 T HN 0.381 nan 8.240 nan 0.000 0.498 67 I N 1.165 121.726 120.570 -0.014 0.000 2.127 67 I HA -0.167 4.003 4.170 0.000 0.000 0.241 67 I C 3.069 179.171 176.117 -0.024 0.000 1.075 67 I CA 1.823 63.113 61.300 -0.016 0.000 1.334 67 I CB -0.827 37.166 38.000 -0.012 0.000 1.040 67 I HN 0.919 nan 8.210 nan 0.000 0.405 68 A N 0.999 123.804 122.820 -0.024 0.000 1.884 68 A HA -0.227 4.093 4.320 0.000 0.000 0.219 68 A C 2.415 179.972 177.584 -0.044 0.000 1.197 68 A CA 2.368 54.387 52.037 -0.030 0.000 0.637 68 A CB -1.540 17.444 19.000 -0.026 0.000 0.827 68 A HN 0.499 nan 8.150 nan 0.000 0.450 69 G N -1.189 107.583 108.800 -0.045 0.000 2.403 69 G HA2 0.105 4.065 3.960 0.000 0.000 0.216 69 G HA3 0.105 4.065 3.960 0.000 0.000 0.216 69 G C 1.728 176.575 174.900 -0.087 0.000 1.154 69 G CA 1.323 46.385 45.100 -0.063 0.000 0.784 69 G HN 0.831 nan 8.290 nan 0.000 0.538 70 A N 0.671 123.453 122.820 -0.063 0.000 1.898 70 A HA 0.132 4.452 4.320 0.000 0.000 0.216 70 A C 2.410 179.942 177.584 -0.087 0.000 1.181 70 A CA 1.106 53.104 52.037 -0.066 0.000 0.620 70 A CB -0.391 18.596 19.000 -0.022 0.000 0.819 70 A HN 0.334 nan 8.150 nan 0.000 0.442 71 L N -0.641 120.543 121.223 -0.065 0.000 2.093 71 L HA -0.190 4.150 4.340 0.000 0.000 0.208 71 L C 2.379 179.189 176.870 -0.101 0.000 1.085 71 L CA 1.882 56.684 54.840 -0.063 0.000 0.755 71 L CB -0.674 41.365 42.059 -0.033 0.000 0.904 71 L HN 0.538 nan 8.230 nan 0.000 0.435 72 D N 0.221 120.556 120.400 -0.109 0.000 2.144 72 D HA -0.231 4.409 4.640 0.000 0.000 0.199 72 D C 2.091 178.263 176.300 -0.214 0.000 0.984 72 D CA 0.826 54.748 54.000 -0.130 0.000 0.834 72 D CB 0.148 40.883 40.800 -0.108 0.000 0.955 72 D HN 0.103 nan 8.370 nan 0.000 0.465 73 L N 0.088 121.142 121.223 -0.281 0.000 2.109 73 L HA 0.065 4.405 4.340 0.000 0.000 0.207 73 L C 1.987 178.508 176.870 -0.582 0.000 1.086 73 L CA 1.221 55.759 54.840 -0.502 0.000 0.760 73 L CB -0.465 41.249 42.059 -0.575 0.000 0.910 73 L HN 0.208 nan 8.230 nan 0.000 0.437 74 L N -0.150 120.872 121.223 -0.335 0.000 1.994 74 L HA -0.228 4.112 4.340 0.000 0.000 0.208 74 L C 2.868 179.607 176.870 -0.218 0.000 1.071 74 L CA 2.076 56.809 54.840 -0.178 0.000 0.745 74 L CB -0.628 41.393 42.059 -0.063 0.000 0.892 74 L HN 0.409 nan 8.230 nan 0.000 0.431 75 R N -0.072 120.275 120.500 -0.255 0.000 2.119 75 R HA -0.036 4.304 4.340 0.000 0.000 0.222 75 R C 1.982 178.132 176.300 -0.251 0.000 1.088 75 R CA 1.342 57.217 56.100 -0.375 0.000 0.984 75 R CB -0.688 29.434 30.300 -0.295 0.000 0.884 75 R HN 0.258 nan 8.270 nan 0.000 0.447 76 G N -0.733 107.942 108.800 -0.207 0.000 2.838 76 G HA2 0.021 3.981 3.960 0.000 0.000 0.210 76 G HA3 0.021 3.981 3.960 0.000 0.000 0.210 76 G C 0.664 175.456 174.900 -0.178 0.000 1.153 76 G CA 0.690 45.692 45.100 -0.163 0.000 0.778 76 G HN 0.376 nan 8.290 nan 0.000 0.539 77 T N -1.015 113.390 114.554 -0.248 0.000 3.449 77 T HA 0.191 4.541 4.350 0.000 0.000 0.268 77 T C 1.801 176.497 174.700 -0.007 0.000 0.996 77 T CA -0.361 61.605 62.100 -0.224 0.000 1.125 77 T CB -0.211 68.346 68.868 -0.519 0.000 1.172 77 T HN 0.143 nan 8.240 nan 0.000 0.430 78 F N 1.787 121.666 119.950 -0.120 0.000 2.113 78 F HA 0.067 4.595 4.527 0.000 0.000 0.297 78 F C 2.289 178.063 175.800 -0.044 0.000 1.103 78 F CA 0.633 58.594 58.000 -0.064 0.000 1.248 78 F CB -0.304 38.656 39.000 -0.067 0.000 0.999 78 F HN 0.023 nan 8.300 nan 0.000 0.475 79 L N 0.071 121.361 121.223 0.111 0.000 1.994 79 L HA -0.161 4.179 4.340 0.000 0.000 0.208 79 L C -0.559 176.347 176.870 0.059 0.000 1.071 79 L CA 1.482 56.350 54.840 0.045 0.000 0.745 79 L CB -2.225 39.789 42.059 -0.075 0.000 0.892 79 L HN 0.034 nan 8.230 nan 0.000 0.431 80 P HA -0.191 nan 4.420 nan 0.000 0.217 80 P C 1.364 178.716 177.300 0.087 0.000 1.148 80 P CA 1.766 64.898 63.100 0.053 0.000 0.828 80 P CB -0.021 31.696 31.700 0.028 0.000 0.783 81 A N -0.893 121.997 122.820 0.118 0.000 2.067 81 A HA -0.106 4.214 4.320 0.000 0.000 0.219 81 A C 1.974 179.660 177.584 0.171 0.000 1.158 81 A CA 1.424 53.547 52.037 0.143 0.000 0.661 81 A CB -1.240 17.868 19.000 0.181 0.000 0.801 81 A HN 0.380 nan 8.150 nan 0.000 0.452 82 I N -4.642 116.032 120.570 0.173 0.000 4.124 82 I HA 0.320 4.490 4.170 0.000 0.000 0.311 82 I C 0.259 176.517 176.117 0.234 0.000 1.259 82 I CA -0.359 61.102 61.300 0.267 0.000 1.315 82 I CB -0.140 37.957 38.000 0.160 0.000 1.223 82 I HN -0.086 nan 8.210 nan 0.000 0.441 83 L N 3.704 125.020 121.223 0.154 0.000 2.559 83 L HA 0.178 4.518 4.340 0.000 0.000 0.274 83 L C 1.427 178.352 176.870 0.092 0.000 1.205 83 L CA 1.348 56.266 54.840 0.131 0.000 0.907 83 L CB 0.188 42.316 42.059 0.116 0.000 1.153 83 L HN 0.684 nan 8.230 nan 0.000 0.490 84 G N 1.611 110.459 108.800 0.079 0.000 2.234 84 G HA2 -0.219 3.741 3.960 0.000 0.000 0.260 84 G HA3 -0.219 3.741 3.960 0.000 0.000 0.260 84 G C 0.354 175.232 174.900 -0.036 0.000 0.987 84 G CA -0.329 44.788 45.100 0.027 0.000 0.625 84 G HN 0.528 nan 8.290 nan 0.000 0.532 85 Q N 0.586 120.353 119.800 -0.057 0.000 2.260 85 Q HA 0.604 4.944 4.340 0.000 0.000 0.238 85 Q C -0.150 175.529 176.000 -0.535 0.000 0.948 85 Q CA 0.233 55.848 55.803 -0.313 0.000 0.895 85 Q CB 1.262 29.771 28.738 -0.382 0.000 1.218 85 Q HN 0.237 nan 8.270 nan 0.000 0.470 86 T N 1.744 115.817 114.554 -0.803 0.000 2.823 86 T HA 0.693 5.043 4.350 0.000 0.000 0.279 86 T C -0.848 173.205 174.700 -1.079 0.000 0.998 86 T CA -0.293 61.382 62.100 -0.709 0.000 0.994 86 T CB 0.343 68.992 68.868 -0.364 0.000 0.960 86 T HN 0.263 nan 8.240 nan 0.000 0.448 87 F N 0.206 119.778 119.950 -0.630 0.000 2.588 87 F HA 0.583 5.110 4.527 -0.000 0.000 0.310 87 F C 0.939 176.311 175.800 -0.713 0.000 1.082 87 F CA -1.212 56.346 58.000 -0.736 0.000 0.929 87 F CB 1.656 40.047 39.000 -1.016 0.000 1.254 87 F HN 0.642 nan 8.300 nan 0.000 0.455 88 A N 1.789 124.467 122.820 -0.235 0.000 1.935 88 A HA 0.144 4.464 4.320 0.000 0.000 0.214 88 A C 0.217 177.549 177.584 -0.421 0.000 1.178 88 A CA 1.348 53.263 52.037 -0.205 0.000 0.640 88 A CB -0.503 18.415 19.000 -0.136 0.000 0.825 88 A HN 0.815 nan 8.150 nan 0.000 0.447 89 N N -4.029 114.412 118.700 -0.432 0.000 2.927 89 N HA 0.369 5.109 4.740 0.000 0.000 0.248 89 N C -3.026 172.137 175.510 -0.580 0.000 1.443 89 N CA -1.699 50.869 53.050 -0.804 0.000 0.870 89 N CB 0.360 38.371 38.487 -0.794 0.000 1.444 89 N HN -0.301 nan 8.380 nan 0.000 0.519 90 P HA -0.136 nan 4.420 nan 0.000 0.216 90 P C 0.514 177.507 177.300 -0.512 0.000 1.150 90 P CA 1.605 64.221 63.100 -0.806 0.000 0.843 90 P CB 0.226 30.898 31.700 -1.714 0.000 0.787 91 E N -0.355 119.591 120.200 -0.423 0.000 2.097 91 E HA -0.184 4.166 4.350 0.000 0.000 0.196 91 E C 2.133 178.621 176.600 -0.186 0.000 1.000 91 E CA 1.682 57.963 56.400 -0.199 0.000 0.804 91 E CB -1.095 28.543 29.700 -0.104 0.000 0.740 91 E HN 0.181 nan 8.360 nan 0.000 0.454 92 A N 0.432 123.129 122.820 -0.206 0.000 1.930 92 A HA -0.145 4.175 4.320 0.000 0.000 0.217 92 A C 2.462 179.923 177.584 -0.204 0.000 1.175 92 A CA 1.275 53.253 52.037 -0.099 0.000 0.627 92 A CB -0.673 18.345 19.000 0.030 0.000 0.815 92 A HN 0.144 nan 8.150 nan 0.000 0.443 93 V N 0.231 119.826 119.914 -0.531 0.000 2.255 93 V HA -0.278 3.842 4.120 0.000 0.000 0.247 93 V C 2.829 178.675 176.094 -0.413 0.000 1.051 93 V CA 2.529 64.339 62.300 -0.816 0.000 1.018 93 V CB -1.008 30.380 31.823 -0.724 0.000 0.641 93 V HN 0.592 nan 8.190 nan 0.000 0.445 94 S N -0.197 115.331 115.700 -0.286 0.000 2.356 94 S HA -0.278 4.192 4.470 0.000 0.000 0.223 94 S C 1.820 176.329 174.600 -0.151 0.000 1.032 94 S CA 1.776 59.853 58.200 -0.204 0.000 1.005 94 S CB -0.567 62.559 63.200 -0.124 0.000 0.867 94 S HN 0.767 nan 8.310 nan 0.000 0.449 95 D N 1.733 122.067 120.400 -0.111 0.000 2.158 95 D HA -0.105 4.535 4.640 0.000 0.000 0.197 95 D C 1.736 178.017 176.300 -0.032 0.000 0.995 95 D CA 1.239 55.205 54.000 -0.056 0.000 0.846 95 D CB -0.267 40.512 40.800 -0.035 0.000 0.941 95 D HN 0.385 nan 8.370 nan 0.000 0.456 96 A N -0.429 122.377 122.820 -0.024 0.000 2.209 96 A HA 0.071 4.391 4.320 0.000 0.000 0.212 96 A C 2.021 179.628 177.584 0.038 0.000 1.158 96 A CA 0.278 52.348 52.037 0.056 0.000 0.742 96 A CB -0.455 18.670 19.000 0.209 0.000 0.790 96 A HN 0.382 nan 8.150 nan 0.000 0.472 97 L N -1.155 120.044 121.223 -0.040 0.000 2.554 97 L HA 0.227 4.567 4.340 0.000 0.000 0.226 97 L C 1.389 178.373 176.870 0.190 0.000 1.137 97 L CA 0.430 55.256 54.840 -0.024 0.000 0.863 97 L CB -0.786 41.033 42.059 -0.400 0.000 0.985 97 L HN 0.604 nan 8.230 nan 0.000 0.451 98 G N -0.403 108.450 108.800 0.088 0.000 2.698 98 G HA2 -0.242 3.718 3.960 0.000 0.000 0.225 98 G HA3 -0.242 3.718 3.960 0.000 0.000 0.225 98 G C 0.106 174.957 174.900 -0.082 0.000 1.345 98 G CA -0.232 44.870 45.100 0.003 0.000 0.871 98 G HN -0.010 nan 8.290 nan 0.000 0.540 99 S N 0.314 115.836 115.700 -0.297 0.000 2.622 99 S HA 0.383 4.853 4.470 0.000 0.000 0.236 99 S C 0.548 175.029 174.600 -0.199 0.000 0.956 99 S CA -0.172 57.906 58.200 -0.204 0.000 0.971 99 S CB -0.381 62.714 63.200 -0.176 0.000 0.782 99 S HN 0.432 nan 8.310 nan 0.000 0.468 100 Y N 2.217 122.576 120.300 0.099 0.000 2.709 100 Y HA 0.046 4.596 4.550 -0.000 0.000 0.348 100 Y C 1.248 177.204 175.900 0.094 0.000 1.267 100 Y CA 0.155 58.323 58.100 0.113 0.000 1.486 100 Y CB 0.374 38.947 38.460 0.188 0.000 1.356 100 Y HN 0.018 nan 8.280 nan 0.000 0.639 101 R N 1.247 121.888 120.500 0.234 0.000 2.346 101 R HA 0.450 4.790 4.340 0.000 0.000 0.311 101 R C 0.640 177.026 176.300 0.143 0.000 0.983 101 R CA 0.142 56.328 56.100 0.143 0.000 0.880 101 R CB 1.235 31.593 30.300 0.097 0.000 1.100 101 R HN 0.973 nan 8.270 nan 0.000 0.453 102 G N 2.656 111.527 108.800 0.120 0.000 2.552 102 G HA2 -0.385 3.575 3.960 0.000 0.000 0.265 102 G HA3 -0.385 3.575 3.960 0.000 0.000 0.265 102 G C -0.314 174.668 174.900 0.136 0.000 1.234 102 G CA 0.032 45.199 45.100 0.112 0.000 0.944 102 G HN 0.846 nan 8.290 nan 0.000 0.568 103 N N -0.514 118.255 118.700 0.116 0.000 2.725 103 N HA -0.184 4.556 4.740 0.000 0.000 0.251 103 N C 1.409 177.007 175.510 0.148 0.000 1.031 103 N CA 1.295 54.419 53.050 0.123 0.000 0.720 103 N CB -0.411 38.153 38.487 0.127 0.000 0.930 103 N HN 0.706 nan 8.380 nan 0.000 0.543 104 R N 0.145 120.711 120.500 0.109 0.000 2.119 104 R HA 0.142 4.482 4.340 0.000 0.000 0.222 104 R C 2.343 178.687 176.300 0.074 0.000 1.088 104 R CA 1.111 57.265 56.100 0.090 0.000 0.984 104 R CB 0.047 30.392 30.300 0.074 0.000 0.884 104 R HN 0.346 nan 8.270 nan 0.000 0.447 105 M N -0.296 119.347 119.600 0.071 0.000 2.175 105 M HA -0.076 4.404 4.480 0.000 0.000 0.264 105 M C 2.430 178.766 176.300 0.060 0.000 1.063 105 M CA 1.489 56.819 55.300 0.049 0.000 1.119 105 M CB -0.191 32.436 32.600 0.044 0.000 1.377 105 M HN 0.209 nan 8.290 nan 0.000 0.415 106 A N 1.016 123.897 122.820 0.102 0.000 1.851 106 A HA -0.207 4.113 4.320 0.000 0.000 0.216 106 A C 2.126 179.845 177.584 0.224 0.000 1.195 106 A CA 1.863 53.997 52.037 0.162 0.000 0.622 106 A CB -0.760 18.347 19.000 0.179 0.000 0.831 106 A HN 0.435 nan 8.150 nan 0.000 0.444 107 R N -0.518 120.117 120.500 0.225 0.000 2.117 107 R HA -0.151 4.189 4.340 0.000 0.000 0.243 107 R C 2.402 178.682 176.300 -0.033 0.000 1.143 107 R CA 1.283 57.374 56.100 -0.016 0.000 0.968 107 R CB -0.560 29.692 30.300 -0.079 0.000 0.863 107 R HN 0.541 nan 8.270 nan 0.000 0.444 108 A N 1.127 123.948 122.820 0.003 0.000 1.933 108 A HA -0.168 4.152 4.320 0.000 0.000 0.218 108 A C 2.174 179.735 177.584 -0.038 0.000 1.175 108 A CA 1.360 53.382 52.037 -0.025 0.000 0.628 108 A CB -0.431 18.544 19.000 -0.042 0.000 0.814 108 A HN 0.204 nan 8.150 nan 0.000 0.444 109 M N -0.748 118.842 119.600 -0.017 0.000 2.106 109 M HA -0.169 4.311 4.480 0.000 0.000 0.259 109 M C 2.075 178.371 176.300 -0.008 0.000 1.068 109 M CA 1.655 56.941 55.300 -0.023 0.000 1.100 109 M CB -0.544 32.062 32.600 0.010 0.000 1.351 109 M HN 0.285 nan 8.290 nan 0.000 0.404 110 V N -0.381 119.531 119.914 -0.002 0.000 2.302 110 V HA -0.180 3.940 4.120 0.000 0.000 0.243 110 V C 2.393 178.469 176.094 -0.030 0.000 1.036 110 V CA 1.591 63.877 62.300 -0.023 0.000 1.020 110 V CB -0.748 31.032 31.823 -0.072 0.000 0.657 110 V HN 0.432 nan 8.190 nan 0.000 0.453 111 E N 0.249 120.427 120.200 -0.036 0.000 2.065 111 E HA -0.275 4.075 4.350 0.000 0.000 0.201 111 E C 2.193 178.919 176.600 0.210 0.000 1.016 111 E CA 2.213 58.635 56.400 0.035 0.000 0.818 111 E CB -0.207 29.530 29.700 0.063 0.000 0.749 111 E HN 0.560 nan 8.360 nan 0.000 0.453 112 M N -0.360 119.344 119.600 0.174 0.000 2.156 112 M HA -0.092 4.388 4.480 0.000 0.000 0.264 112 M C 2.468 178.961 176.300 0.322 0.000 1.067 112 M CA 1.329 56.796 55.300 0.279 0.000 1.131 112 M CB -0.260 32.270 32.600 -0.117 0.000 1.368 112 M HN 0.082 nan 8.290 nan 0.000 0.416 113 A N 0.753 123.656 122.820 0.140 0.000 1.940 113 A HA -0.105 4.215 4.320 0.000 0.000 0.219 113 A C 2.395 180.050 177.584 0.118 0.000 1.176 113 A CA 2.059 54.175 52.037 0.132 0.000 0.631 113 A CB -0.918 18.114 19.000 0.053 0.000 0.814 113 A HN 0.502 nan 8.150 nan 0.000 0.446 114 A N -1.552 121.312 122.820 0.074 0.000 1.898 114 A HA -0.134 4.186 4.320 0.000 0.000 0.216 114 A C 1.970 179.534 177.584 -0.032 0.000 1.181 114 A CA 1.296 53.319 52.037 -0.022 0.000 0.620 114 A CB -0.917 18.016 19.000 -0.112 0.000 0.819 114 A HN 0.734 nan 8.150 nan 0.000 0.442 115 W N 0.111 121.468 121.300 0.095 0.000 2.318 115 W HA -0.216 4.444 4.660 -0.000 0.000 0.313 115 W C 2.099 178.657 176.519 0.066 0.000 1.221 115 W CA 1.559 58.987 57.345 0.139 0.000 1.266 115 W CB -0.211 29.356 29.460 0.178 0.000 1.150 115 W HN 0.475 nan 8.180 nan 0.000 0.496 116 D N -0.023 120.555 120.400 0.296 0.000 2.097 116 D HA -0.195 4.445 4.640 0.000 0.000 0.195 116 D C 2.006 178.308 176.300 0.004 0.000 0.989 116 D CA 1.458 55.513 54.000 0.092 0.000 0.827 116 D CB -0.466 40.402 40.800 0.113 0.000 0.966 116 D HN 0.055 nan 8.370 nan 0.000 0.456 117 L N 0.397 121.614 121.223 -0.011 0.000 2.027 117 L HA -0.046 4.294 4.340 0.000 0.000 0.206 117 L C 2.256 179.016 176.870 -0.183 0.000 1.074 117 L CA 1.787 56.568 54.840 -0.100 0.000 0.745 117 L CB -0.975 41.017 42.059 -0.112 0.000 0.898 117 L HN 0.376 nan 8.230 nan 0.000 0.433 118 W N 0.488 121.489 121.300 -0.500 0.000 2.335 118 W HA -0.286 4.374 4.660 0.000 0.000 0.311 118 W C 1.985 178.346 176.519 -0.263 0.000 1.213 118 W CA 1.637 58.617 57.345 -0.609 0.000 1.274 118 W CB -0.203 28.884 29.460 -0.621 0.000 1.148 118 W HN 0.357 nan 8.180 nan 0.000 0.498 119 A N 1.046 123.698 122.820 -0.280 0.000 2.014 119 A HA -0.113 4.207 4.320 0.000 0.000 0.218 119 A C 1.974 179.376 177.584 -0.302 0.000 1.163 119 A CA 1.324 53.138 52.037 -0.372 0.000 0.652 119 A CB -0.653 18.254 19.000 -0.155 0.000 0.808 119 A HN 0.420 nan 8.150 nan 0.000 0.449 120 R N -0.510 119.862 120.500 -0.214 0.000 2.153 120 R HA -0.045 4.295 4.340 0.000 0.000 0.218 120 R C 2.307 178.510 176.300 -0.161 0.000 1.072 120 R CA 1.438 57.443 56.100 -0.158 0.000 0.990 120 R CB -0.492 29.746 30.300 -0.104 0.000 0.889 120 R HN 0.705 nan 8.270 nan 0.000 0.452 121 T N -0.992 113.441 114.554 -0.201 0.000 2.962 121 T HA -0.038 4.312 4.350 0.000 0.000 0.270 121 T C 1.674 176.248 174.700 -0.210 0.000 1.088 121 T CA 0.934 62.940 62.100 -0.157 0.000 1.127 121 T CB -0.031 68.776 68.868 -0.101 0.000 0.883 121 T HN 0.152 nan 8.240 nan 0.000 0.493 122 L N -0.002 121.018 121.223 -0.339 0.000 2.590 122 L HA 0.409 4.749 4.340 0.000 0.000 0.227 122 L C 2.070 178.814 176.870 -0.209 0.000 1.099 122 L CA 0.295 54.940 54.840 -0.324 0.000 0.872 122 L CB -0.414 41.334 42.059 -0.519 0.000 1.088 122 L HN 0.535 nan 8.230 nan 0.000 0.479 123 G N 1.230 109.921 108.800 -0.181 0.000 2.179 123 G HA2 -0.247 3.713 3.960 0.000 0.000 0.257 123 G HA3 -0.247 3.713 3.960 0.000 0.000 0.257 123 G C 0.100 174.929 174.900 -0.119 0.000 1.010 123 G CA 0.317 45.342 45.100 -0.124 0.000 0.736 123 G HN 0.156 nan 8.290 nan 0.000 0.513 124 V N 0.582 120.403 119.914 -0.156 0.000 2.547 124 V HA 0.539 4.659 4.120 0.000 0.000 0.299 124 V C -1.715 174.309 176.094 -0.117 0.000 1.040 124 V CA -2.050 60.177 62.300 -0.120 0.000 0.913 124 V CB 1.916 33.662 31.823 -0.128 0.000 0.992 124 V HN 0.060 nan 8.190 nan 0.000 0.449 125 P HA 0.043 nan 4.420 nan 0.000 0.266 125 P C 0.620 177.849 177.300 -0.119 0.000 1.195 125 P CA -0.128 62.935 63.100 -0.062 0.000 0.768 125 P CB 0.610 32.352 31.700 0.070 0.000 0.838 126 L N 4.620 125.647 121.223 -0.327 0.000 1.989 126 L HA -0.119 4.221 4.340 0.000 0.000 0.211 126 L C 2.301 179.051 176.870 -0.200 0.000 1.071 126 L CA 2.791 57.427 54.840 -0.339 0.000 0.749 126 L CB -1.742 39.934 42.059 -0.638 0.000 0.890 126 L HN 0.513 nan 8.230 nan 0.000 0.431 127 G N -1.664 107.161 108.800 0.043 0.000 2.513 127 G HA2 -0.334 3.626 3.960 0.000 0.000 0.219 127 G HA3 -0.334 3.626 3.960 0.000 0.000 0.219 127 G C 1.447 176.328 174.900 -0.031 0.000 1.160 127 G CA 1.473 46.584 45.100 0.019 0.000 0.767 127 G HN 0.479 nan 8.290 nan 0.000 0.571 128 T N 1.243 115.804 114.554 0.011 0.000 2.720 128 T HA -0.063 4.287 4.350 0.000 0.000 0.268 128 T C 2.349 177.057 174.700 0.013 0.000 1.037 128 T CA 1.051 63.160 62.100 0.015 0.000 1.144 128 T CB -0.199 68.678 68.868 0.015 0.000 0.864 128 T HN 0.178 nan 8.240 nan 0.000 0.444 129 L N 0.183 121.407 121.223 0.002 0.000 2.291 129 L HA 0.110 4.450 4.340 0.000 0.000 0.214 129 L C 1.970 178.859 176.870 0.033 0.000 1.120 129 L CA 0.688 55.575 54.840 0.077 0.000 0.799 129 L CB -0.352 41.821 42.059 0.190 0.000 0.925 129 L HN 0.266 nan 8.230 nan 0.000 0.446 130 L N -0.825 120.325 121.223 -0.121 0.000 2.591 130 L HA 0.161 4.501 4.340 0.000 0.000 0.228 130 L C 1.495 178.319 176.870 -0.077 0.000 1.133 130 L CA 0.641 55.366 54.840 -0.192 0.000 0.880 130 L CB -0.122 41.721 42.059 -0.361 0.000 1.033 130 L HN 0.430 nan 8.230 nan 0.000 0.450 131 G N -0.506 108.286 108.800 -0.014 0.000 2.179 131 G HA2 -0.202 3.758 3.960 0.000 0.000 0.220 131 G HA3 -0.202 3.758 3.960 0.000 0.000 0.220 131 G C 0.567 175.499 174.900 0.053 0.000 0.990 131 G CA -0.331 44.795 45.100 0.043 0.000 0.646 131 G HN 0.476 nan 8.290 nan 0.000 0.517 132 G N -0.320 108.466 108.800 -0.024 0.000 2.483 132 G HA2 0.575 4.535 3.960 0.000 0.000 0.248 132 G HA3 0.575 4.535 3.960 0.000 0.000 0.248 132 G C 0.230 175.118 174.900 -0.020 0.000 1.248 132 G CA 0.411 45.459 45.100 -0.088 0.000 0.838 132 G HN 1.264 nan 8.290 nan 0.000 0.566 133 H N -1.451 117.618 119.070 -0.002 0.000 3.052 133 H HA 0.342 4.898 4.556 0.000 0.000 0.257 133 H C 0.401 175.722 175.328 -0.011 0.000 1.193 133 H CA -0.648 55.397 56.048 -0.005 0.000 1.072 133 H CB 0.017 29.783 29.762 0.007 0.000 1.685 133 H HN 0.328 nan 8.280 nan 0.000 0.630 134 K N 1.216 121.541 120.400 -0.125 0.000 2.326 134 K HA 0.060 4.380 4.320 0.000 0.000 0.275 134 K C 0.215 176.784 176.600 -0.052 0.000 1.018 134 K CA 0.083 56.328 56.287 -0.069 0.000 0.962 134 K CB 1.088 33.529 32.500 -0.098 0.000 0.953 134 K HN 0.403 nan 8.250 nan 0.000 0.475 135 E N 1.388 121.571 120.200 -0.029 0.000 2.447 135 E HA -0.065 4.285 4.350 0.000 0.000 0.195 135 E C -0.170 176.395 176.600 -0.058 0.000 1.028 135 E CA 0.249 56.626 56.400 -0.039 0.000 0.876 135 E CB 0.455 30.146 29.700 -0.016 0.000 0.885 135 E HN 0.495 nan 8.360 nan 0.000 0.500 136 Q N -0.497 119.270 119.800 -0.055 0.000 2.522 136 Q HA 0.475 4.815 4.340 0.000 0.000 0.285 136 Q C -1.013 174.957 176.000 -0.051 0.000 0.982 136 Q CA -0.982 54.787 55.803 -0.057 0.000 0.805 136 Q CB 1.769 30.485 28.738 -0.038 0.000 1.457 136 Q HN -0.029 nan 8.270 nan 0.000 0.394 137 V N -2.281 117.605 119.914 -0.048 0.000 2.914 137 V HA 0.629 4.749 4.120 0.000 0.000 0.314 137 V C -0.660 175.432 176.094 -0.003 0.000 1.084 137 V CA -0.867 61.413 62.300 -0.032 0.000 0.963 137 V CB 1.908 33.692 31.823 -0.065 0.000 1.025 137 V HN 0.872 nan 8.190 nan 0.000 0.432 138 E N 1.932 122.142 120.200 0.017 0.000 2.283 138 E HA 0.607 4.957 4.350 0.000 0.000 0.278 138 E C -0.636 175.983 176.600 0.032 0.000 1.027 138 E CA -0.599 55.815 56.400 0.024 0.000 0.843 138 E CB 2.109 31.823 29.700 0.023 0.000 1.062 138 E HN 0.917 nan 8.360 nan 0.000 0.401 139 V N -0.835 119.112 119.914 0.055 0.000 2.876 139 V HA 0.893 5.013 4.120 0.000 0.000 0.312 139 V C 0.090 176.238 176.094 0.090 0.000 1.085 139 V CA -0.675 61.664 62.300 0.066 0.000 0.945 139 V CB 1.684 33.579 31.823 0.120 0.000 1.017 139 V HN 0.726 nan 8.190 nan 0.000 0.428 140 G N 1.241 109.991 108.800 -0.083 0.000 3.175 140 G HA2 0.879 4.839 3.960 0.000 0.000 0.255 140 G HA3 0.879 4.839 3.960 0.000 0.000 0.255 140 G C -0.668 173.960 174.900 -0.453 0.000 1.352 140 G CA -0.325 44.657 45.100 -0.197 0.000 1.037 140 G HN 1.872 nan 8.290 nan 0.000 0.556 141 V N -3.207 116.387 119.914 -0.533 0.000 3.114 141 V HA 0.832 4.952 4.120 0.000 0.000 0.308 141 V C -0.503 175.350 176.094 -0.401 0.000 1.168 141 V CA -1.018 60.929 62.300 -0.589 0.000 1.015 141 V CB 1.542 32.808 31.823 -0.929 0.000 1.050 141 V HN 0.692 nan 8.190 nan 0.000 0.433 142 S N 2.913 118.430 115.700 -0.304 0.000 2.456 142 S HA 0.745 5.215 4.470 0.000 0.000 0.316 142 S C -0.467 174.016 174.600 -0.195 0.000 1.089 142 S CA -0.551 57.532 58.200 -0.194 0.000 1.101 142 S CB 0.919 64.067 63.200 -0.086 0.000 0.995 142 S HN 0.659 nan 8.310 nan 0.000 0.468 143 L N 2.699 123.821 121.223 -0.169 0.000 2.334 143 L HA 0.579 4.919 4.340 0.000 0.000 0.277 143 L C 1.245 178.099 176.870 -0.027 0.000 1.075 143 L CA -0.751 54.022 54.840 -0.112 0.000 0.804 143 L CB 0.673 42.676 42.059 -0.093 0.000 1.174 143 L HN 0.765 nan 8.230 nan 0.000 0.438 144 G N 2.407 111.206 108.800 -0.002 0.000 2.525 144 G HA2 0.348 4.308 3.960 0.000 0.000 0.276 144 G HA3 0.348 4.308 3.960 0.000 0.000 0.276 144 G C -0.068 174.879 174.900 0.078 0.000 1.388 144 G CA -0.727 44.395 45.100 0.037 0.000 1.050 144 G HN 0.479 nan 8.290 nan 0.000 0.520 145 I N 0.772 121.400 120.570 0.097 0.000 2.471 145 I HA 0.086 4.256 4.170 0.000 0.000 0.286 145 I C 0.109 176.288 176.117 0.104 0.000 1.079 145 I CA -0.270 61.124 61.300 0.157 0.000 1.398 145 I CB 1.206 39.293 38.000 0.145 0.000 1.403 145 I HN 0.233 nan 8.210 nan 0.000 0.530 146 Q N 4.117 124.031 119.800 0.190 0.000 2.221 146 Q HA 0.377 4.717 4.340 0.000 0.000 0.242 146 Q C 0.798 176.783 176.000 -0.026 0.000 0.940 146 Q CA -0.353 55.516 55.803 0.111 0.000 0.896 146 Q CB 1.528 30.369 28.738 0.171 0.000 1.226 146 Q HN 0.770 nan 8.270 nan 0.000 0.463 147 A N 1.337 124.115 122.820 -0.069 0.000 1.972 147 A HA -0.104 4.216 4.320 0.000 0.000 0.219 147 A C 0.109 177.541 177.584 -0.253 0.000 1.169 147 A CA 2.115 54.042 52.037 -0.183 0.000 0.635 147 A CB -0.216 18.721 19.000 -0.104 0.000 0.810 147 A HN 0.793 nan 8.150 nan 0.000 0.446 148 D N -4.490 115.903 120.400 -0.013 0.000 2.692 148 D HA 0.264 4.904 4.640 0.000 0.000 0.303 148 D C 0.244 176.791 176.300 0.411 0.000 1.278 148 D CA -0.301 53.795 54.000 0.159 0.000 0.852 148 D CB -0.083 40.763 40.800 0.077 0.000 1.375 148 D HN 0.012 nan 8.370 nan 0.000 0.453 149 E N -0.758 119.696 120.200 0.422 0.000 2.049 149 E HA -0.298 4.052 4.350 0.000 0.000 0.198 149 E C 1.425 178.115 176.600 0.150 0.000 1.007 149 E CA 1.524 58.065 56.400 0.234 0.000 0.809 149 E CB -0.077 29.703 29.700 0.132 0.000 0.749 149 E HN 0.433 nan 8.360 nan 0.000 0.450 150 Q N 0.762 120.635 119.800 0.120 0.000 2.084 150 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 150 Q C 1.943 177.998 176.000 0.092 0.000 0.978 150 Q CA 1.818 57.673 55.803 0.087 0.000 0.844 150 Q CB -0.376 28.399 28.738 0.061 0.000 0.898 150 Q HN 0.275 nan 8.270 nan 0.000 0.426 151 A N -0.810 122.068 122.820 0.097 0.000 1.902 151 A HA -0.180 4.140 4.320 0.000 0.000 0.217 151 A C 2.288 179.936 177.584 0.107 0.000 1.181 151 A CA 1.941 54.029 52.037 0.085 0.000 0.623 151 A CB -1.115 17.925 19.000 0.067 0.000 0.818 151 A HN 0.474 nan 8.150 nan 0.000 0.443 152 T N -0.067 114.575 114.554 0.148 0.000 2.580 152 T HA -0.187 4.163 4.350 0.000 0.000 0.265 152 T C 1.897 176.669 174.700 0.119 0.000 1.063 152 T CA 2.009 64.195 62.100 0.144 0.000 1.170 152 T CB -0.676 68.295 68.868 0.172 0.000 0.863 152 T HN 0.150 nan 8.240 nan 0.000 0.418 153 V N 2.226 122.218 119.914 0.129 0.000 2.282 153 V HA -0.246 3.874 4.120 0.000 0.000 0.249 153 V C 2.399 178.602 176.094 0.181 0.000 1.057 153 V CA 2.025 64.433 62.300 0.181 0.000 1.032 153 V CB -0.746 31.175 31.823 0.162 0.000 0.645 153 V HN 0.471 nan 8.190 nan 0.000 0.447 154 D N -0.229 120.246 120.400 0.125 0.000 2.106 154 D HA -0.192 4.448 4.640 0.000 0.000 0.191 154 D C 1.979 178.327 176.300 0.080 0.000 0.997 154 D CA 1.423 55.480 54.000 0.096 0.000 0.834 154 D CB -0.438 40.400 40.800 0.064 0.000 0.956 154 D HN 0.341 nan 8.370 nan 0.000 0.448 155 L N 0.661 121.933 121.223 0.082 0.000 2.083 155 L HA -0.111 4.229 4.340 0.000 0.000 0.209 155 L C 2.291 179.248 176.870 0.145 0.000 1.083 155 L CA 1.131 56.027 54.840 0.093 0.000 0.752 155 L CB -0.413 41.709 42.059 0.106 0.000 0.899 155 L HN -0.118 nan 8.230 nan 0.000 0.433 156 V N -0.166 119.802 119.914 0.089 0.000 2.343 156 V HA -0.294 3.826 4.120 0.000 0.000 0.247 156 V C 2.756 178.782 176.094 -0.114 0.000 1.051 156 V CA 2.002 64.296 62.300 -0.011 0.000 1.036 156 V CB -0.704 31.068 31.823 -0.085 0.000 0.654 156 V HN 0.526 nan 8.190 nan 0.000 0.451 157 R N 0.307 120.802 120.500 -0.009 0.000 2.103 157 R HA -0.199 4.141 4.340 0.000 0.000 0.242 157 R C 2.526 178.818 176.300 -0.015 0.000 1.142 157 R CA 1.753 57.891 56.100 0.064 0.000 0.960 157 R CB -0.199 30.254 30.300 0.254 0.000 0.858 157 R HN 0.495 nan 8.270 nan 0.000 0.439 158 R N -0.872 119.589 120.500 -0.064 0.000 2.081 158 R HA -0.146 4.194 4.340 0.000 0.000 0.235 158 R C 2.069 178.232 176.300 -0.228 0.000 1.131 158 R CA 1.916 57.911 56.100 -0.175 0.000 0.960 158 R CB -0.763 29.362 30.300 -0.291 0.000 0.856 158 R HN 0.520 nan 8.270 nan 0.000 0.436 159 H N 0.386 119.451 119.070 -0.009 0.000 2.363 159 H HA -0.003 4.553 4.556 0.000 0.000 0.301 159 H C 2.225 177.571 175.328 0.030 0.000 1.074 159 H CA 1.256 57.349 56.048 0.075 0.000 1.354 159 H CB -0.041 29.752 29.762 0.050 0.000 1.397 159 H HN -0.113 nan 8.280 nan 0.000 0.516 160 V N 1.027 120.933 119.914 -0.012 0.000 2.469 160 V HA -0.231 3.889 4.120 0.000 0.000 0.251 160 V C 1.707 177.777 176.094 -0.041 0.000 1.064 160 V CA 1.895 64.135 62.300 -0.101 0.000 1.066 160 V CB -0.352 31.253 31.823 -0.363 0.000 0.667 160 V HN 0.522 nan 8.190 nan 0.000 0.461 161 E N -0.672 119.509 120.200 -0.032 0.000 2.358 161 E HA -0.118 4.232 4.350 0.000 0.000 0.195 161 E C 2.020 178.578 176.600 -0.071 0.000 1.010 161 E CA 0.210 56.592 56.400 -0.029 0.000 0.856 161 E CB -0.006 29.686 29.700 -0.014 0.000 0.795 161 E HN 0.489 nan 8.360 nan 0.000 0.504 162 Q N -0.541 119.201 119.800 -0.096 0.000 2.451 162 Q HA 0.026 4.366 4.340 0.000 0.000 0.206 162 Q C 1.244 177.063 176.000 -0.302 0.000 0.947 162 Q CA 0.771 56.452 55.803 -0.202 0.000 0.937 162 Q CB 0.756 29.354 28.738 -0.234 0.000 1.025 162 Q HN 0.430 nan 8.270 nan 0.000 0.511 163 G N 0.108 108.797 108.800 -0.185 0.000 2.159 163 G HA2 -0.317 3.643 3.960 0.000 0.000 0.256 163 G HA3 -0.317 3.643 3.960 0.000 0.000 0.256 163 G C -0.141 174.664 174.900 -0.159 0.000 0.977 163 G CA -0.024 44.981 45.100 -0.159 0.000 0.652 163 G HN 0.378 nan 8.290 nan 0.000 0.531 164 Y N -0.026 120.251 120.300 -0.038 0.000 2.702 164 Y HA 0.204 4.754 4.550 0.000 0.000 0.336 164 Y C 2.055 177.912 175.900 -0.073 0.000 1.235 164 Y CA 0.518 58.585 58.100 -0.055 0.000 1.492 164 Y CB 0.412 38.837 38.460 -0.058 0.000 1.308 164 Y HN 0.124 nan 8.280 nan 0.000 0.589 165 R N 1.302 121.867 120.500 0.109 0.000 2.317 165 R HA 0.128 4.468 4.340 0.000 0.000 0.208 165 R C 0.246 176.528 176.300 -0.030 0.000 0.914 165 R CA 0.130 56.241 56.100 0.018 0.000 1.060 165 R CB 0.419 30.723 30.300 0.007 0.000 1.015 165 R HN 0.395 nan 8.270 nan 0.000 0.498 166 R N 1.028 121.490 120.500 -0.062 0.000 2.626 166 R HA 0.280 4.620 4.340 0.000 0.000 0.274 166 R C -1.712 174.490 176.300 -0.163 0.000 1.031 166 R CA -0.526 55.494 56.100 -0.133 0.000 0.898 166 R CB 1.482 31.644 30.300 -0.230 0.000 1.222 166 R HN -0.062 nan 8.270 nan 0.000 0.455 167 I N 3.898 124.375 120.570 -0.154 0.000 2.362 167 I HA 0.334 4.504 4.170 0.000 0.000 0.289 167 I C 0.064 176.087 176.117 -0.158 0.000 0.994 167 I CA -0.623 60.572 61.300 -0.176 0.000 1.158 167 I CB 1.607 39.512 38.000 -0.158 0.000 1.315 167 I HN 0.435 nan 8.210 nan 0.000 0.451 168 K N 7.835 128.128 120.400 -0.178 0.000 2.263 168 K HA 0.547 4.867 4.320 0.000 0.000 0.272 168 K C -1.236 175.316 176.600 -0.080 0.000 1.033 168 K CA -0.549 55.670 56.287 -0.112 0.000 0.884 168 K CB 0.972 33.408 32.500 -0.106 0.000 1.107 168 K HN 0.539 nan 8.250 nan 0.000 0.460 169 L N 4.392 125.589 121.223 -0.043 0.000 2.264 169 L HA 0.339 4.679 4.340 0.000 0.000 0.289 169 L C 0.207 177.093 176.870 0.027 0.000 1.044 169 L CA -0.792 54.039 54.840 -0.014 0.000 0.807 169 L CB 1.084 43.128 42.059 -0.025 0.000 1.192 169 L HN 0.553 nan 8.230 nan 0.000 0.425 170 K N 4.468 124.900 120.400 0.054 0.000 2.436 170 K HA 0.361 4.681 4.320 0.000 0.000 0.275 170 K C -0.452 176.224 176.600 0.127 0.000 0.999 170 K CA 0.080 56.425 56.287 0.096 0.000 0.980 170 K CB 0.519 33.078 32.500 0.099 0.000 0.919 170 K HN 0.598 nan 8.250 nan 0.000 0.484 171 I N -0.332 120.332 120.570 0.157 0.000 3.174 171 I HA 0.614 4.784 4.170 0.000 0.000 0.313 171 I C -1.347 174.921 176.117 0.252 0.000 1.155 171 I CA -1.139 60.278 61.300 0.196 0.000 0.977 171 I CB 2.270 40.358 38.000 0.146 0.000 1.248 171 I HN 0.703 nan 8.210 nan 0.000 0.453 172 K N 0.965 121.521 120.400 0.260 0.000 2.579 172 K HA 0.605 4.925 4.320 0.000 0.000 0.284 172 K C -3.341 173.313 176.600 0.090 0.000 0.990 172 K CA -1.609 54.746 56.287 0.113 0.000 0.880 172 K CB 2.015 34.559 32.500 0.074 0.000 1.488 172 K HN 0.327 nan 8.250 nan 0.000 0.425 173 P HA 0.135 nan 4.420 nan 0.000 0.280 173 P C -0.152 177.172 177.300 0.040 0.000 1.244 173 P CA -0.087 62.990 63.100 -0.039 0.000 0.784 173 P CB 0.973 32.564 31.700 -0.181 0.000 0.913 174 G N 2.649 111.519 108.800 0.117 0.000 4.403 174 G HA2 0.166 4.126 3.960 0.000 0.000 0.297 174 G HA3 0.166 4.126 3.960 0.000 0.000 0.297 174 G C -0.857 174.223 174.900 0.300 0.000 1.325 174 G CA -0.417 44.781 45.100 0.164 0.000 1.378 174 G HN 0.581 nan 8.290 nan 0.000 0.595 175 W N 3.080 124.406 121.300 0.044 0.000 2.433 175 W HA 0.293 4.953 4.660 0.000 0.000 0.288 175 W C -0.768 175.794 176.519 0.073 0.000 0.986 175 W CA -0.770 56.601 57.345 0.044 0.000 1.680 175 W CB 0.992 30.469 29.460 0.027 0.000 1.615 175 W HN 0.635 nan 8.180 nan 0.000 0.416 176 D N -0.453 119.854 120.400 -0.155 0.000 2.900 176 D HA -0.051 4.589 4.640 0.000 0.000 0.175 176 D C 1.603 177.740 176.300 -0.273 0.000 1.476 176 D CA 0.246 54.148 54.000 -0.163 0.000 1.488 176 D CB 0.006 40.841 40.800 0.060 0.000 1.426 176 D HN -0.050 nan 8.370 nan 0.000 0.295 177 V N 0.889 120.698 119.914 -0.174 0.000 2.453 177 V HA -0.282 3.838 4.120 0.000 0.000 0.252 177 V C 2.294 178.177 176.094 -0.352 0.000 1.068 177 V CA 2.213 64.399 62.300 -0.190 0.000 1.070 177 V CB -1.044 30.750 31.823 -0.048 0.000 0.664 177 V HN 0.134 nan 8.190 nan 0.000 0.461 178 Q N 0.371 119.895 119.800 -0.461 0.000 1.965 178 Q HA -0.085 4.255 4.340 0.000 0.000 0.200 178 Q C 0.164 175.816 176.000 -0.579 0.000 0.981 178 Q CA 2.094 57.580 55.803 -0.529 0.000 0.834 178 Q CB -1.760 26.580 28.738 -0.663 0.000 0.900 178 Q HN 0.530 nan 8.270 nan 0.000 0.426 179 P HA -0.115 nan 4.420 nan 0.000 0.220 179 P C 1.033 178.138 177.300 -0.325 0.000 1.148 179 P CA 1.086 63.891 63.100 -0.493 0.000 0.803 179 P CB 0.100 31.479 31.700 -0.535 0.000 0.782 180 V N 0.565 120.250 119.914 -0.382 0.000 2.302 180 V HA -0.129 3.991 4.120 0.000 0.000 0.243 180 V C 2.971 178.772 176.094 -0.487 0.000 1.036 180 V CA 1.638 63.732 62.300 -0.343 0.000 1.020 180 V CB -1.021 30.623 31.823 -0.298 0.000 0.657 180 V HN 0.041 nan 8.190 nan 0.000 0.453 181 R N 0.197 120.270 120.500 -0.712 0.000 2.081 181 R HA -0.170 4.170 4.340 0.000 0.000 0.235 181 R C 2.288 178.402 176.300 -0.310 0.000 1.131 181 R CA 1.711 57.358 56.100 -0.756 0.000 0.960 181 R CB -0.454 29.486 30.300 -0.600 0.000 0.856 181 R HN 0.486 nan 8.270 nan 0.000 0.436 182 A N 0.172 122.856 122.820 -0.227 0.000 1.851 182 A HA -0.167 4.153 4.320 0.000 0.000 0.216 182 A C 2.225 179.784 177.584 -0.041 0.000 1.195 182 A CA 2.190 54.167 52.037 -0.100 0.000 0.622 182 A CB -1.196 17.765 19.000 -0.064 0.000 0.831 182 A HN 0.467 nan 8.150 nan 0.000 0.444 183 T N -0.529 114.006 114.554 -0.031 0.000 2.635 183 T HA -0.207 4.143 4.350 0.000 0.000 0.267 183 T C 2.131 176.899 174.700 0.114 0.000 1.040 183 T CA 1.977 64.130 62.100 0.088 0.000 1.156 183 T CB -0.286 68.602 68.868 0.034 0.000 0.863 183 T HN 0.476 nan 8.240 nan 0.000 0.430 184 R N 1.252 121.754 120.500 0.003 0.000 2.096 184 R HA -0.037 4.303 4.340 0.000 0.000 0.235 184 R C 2.188 178.524 176.300 0.061 0.000 1.127 184 R CA 1.667 57.803 56.100 0.059 0.000 0.968 184 R CB -0.580 29.764 30.300 0.073 0.000 0.861 184 R HN 0.500 nan 8.270 nan 0.000 0.440 185 E N -0.568 119.638 120.200 0.011 0.000 2.038 185 E HA -0.164 4.186 4.350 0.000 0.000 0.195 185 E C 1.884 178.440 176.600 -0.073 0.000 1.000 185 E CA 1.694 58.089 56.400 -0.008 0.000 0.803 185 E CB -0.258 29.432 29.700 -0.016 0.000 0.750 185 E HN 0.467 nan 8.360 nan 0.000 0.448 186 A N 0.309 123.056 122.820 -0.123 0.000 1.908 186 A HA -0.123 4.197 4.320 0.000 0.000 0.218 186 A C 0.618 177.798 177.584 -0.674 0.000 1.181 186 A CA 1.161 52.953 52.037 -0.408 0.000 0.627 186 A CB -0.207 18.534 19.000 -0.431 0.000 0.818 186 A HN 0.226 nan 8.150 nan 0.000 0.445 187 F N -0.769 119.183 119.950 0.003 0.000 2.564 187 F HA 0.346 4.873 4.527 0.000 0.000 0.368 187 F C -1.888 173.920 175.800 0.013 0.000 1.127 187 F CA -1.987 56.018 58.000 0.008 0.000 1.170 187 F CB 1.647 40.652 39.000 0.008 0.000 1.397 187 F HN 0.047 nan 8.300 nan 0.000 0.493 188 P HA 0.010 nan 4.420 nan 0.000 0.236 188 P C 0.282 177.635 177.300 0.090 0.000 1.177 188 P CA 0.962 64.115 63.100 0.089 0.000 0.773 188 P CB 0.614 32.342 31.700 0.046 0.000 0.878 189 D N -0.120 120.344 120.400 0.107 0.000 2.422 189 D HA 0.108 4.748 4.640 0.000 0.000 0.218 189 D C 1.247 177.593 176.300 0.077 0.000 1.047 189 D CA -0.038 54.010 54.000 0.081 0.000 0.885 189 D CB -0.078 40.766 40.800 0.073 0.000 1.035 189 D HN 0.282 nan 8.370 nan 0.000 0.502 190 I N -0.705 119.925 120.570 0.100 0.000 2.813 190 I HA 0.128 4.298 4.170 0.000 0.000 0.287 190 I C 0.527 176.659 176.117 0.025 0.000 1.196 190 I CA -0.570 60.759 61.300 0.049 0.000 1.421 190 I CB 0.800 38.806 38.000 0.011 0.000 1.365 190 I HN -0.303 nan 8.210 nan 0.000 0.591 191 R N 4.649 125.148 120.500 -0.002 0.000 2.370 191 R HA 0.390 4.730 4.340 0.000 0.000 0.309 191 R C -1.328 174.951 176.300 -0.036 0.000 1.059 191 R CA -0.511 55.581 56.100 -0.014 0.000 0.981 191 R CB 0.546 30.830 30.300 -0.026 0.000 0.972 191 R HN 0.673 nan 8.270 nan 0.000 0.437 192 L N 4.776 125.989 121.223 -0.016 0.000 2.376 192 L HA 0.388 4.728 4.340 0.000 0.000 0.275 192 L C -0.616 176.248 176.870 -0.011 0.000 0.987 192 L CA -0.096 54.729 54.840 -0.024 0.000 0.828 192 L CB 1.964 44.023 42.059 -0.000 0.000 1.249 192 L HN 0.780 nan 8.230 nan 0.000 0.409 193 T N 2.072 116.609 114.554 -0.028 0.000 2.950 193 T HA 0.857 5.207 4.350 0.000 0.000 0.288 193 T C -0.223 174.483 174.700 0.011 0.000 1.035 193 T CA -0.348 61.759 62.100 0.013 0.000 1.028 193 T CB 1.705 70.600 68.868 0.045 0.000 1.109 193 T HN 0.709 nan 8.240 nan 0.000 0.514 194 V N -1.095 118.841 119.914 0.037 0.000 2.919 194 V HA 0.743 4.863 4.120 0.000 0.000 0.316 194 V C -1.065 175.077 176.094 0.081 0.000 1.077 194 V CA -0.986 61.337 62.300 0.038 0.000 0.977 194 V CB 1.767 33.601 31.823 0.017 0.000 1.039 194 V HN 0.966 nan 8.190 nan 0.000 0.441 195 D N 2.219 122.674 120.400 0.091 0.000 2.427 195 D HA 0.662 5.302 4.640 0.000 0.000 0.226 195 D C 0.560 176.946 176.300 0.143 0.000 1.076 195 D CA 0.050 54.126 54.000 0.127 0.000 0.849 195 D CB 1.692 42.569 40.800 0.129 0.000 1.052 195 D HN 0.894 nan 8.370 nan 0.000 0.515 196 A N 4.105 127.019 122.820 0.155 0.000 2.251 196 A HA 0.055 4.375 4.320 0.000 0.000 0.209 196 A C 1.197 178.953 177.584 0.287 0.000 1.187 196 A CA 0.015 52.193 52.037 0.235 0.000 0.823 196 A CB -0.425 18.640 19.000 0.108 0.000 0.846 196 A HN 0.657 nan 8.150 nan 0.000 0.486 197 N N -0.334 118.492 118.700 0.210 0.000 2.708 197 N HA -0.210 4.530 4.740 0.000 0.000 0.249 197 N C 0.124 175.745 175.510 0.184 0.000 1.097 197 N CA 1.094 54.254 53.050 0.182 0.000 0.710 197 N CB -1.961 36.618 38.487 0.153 0.000 1.032 197 N HN 0.423 nan 8.380 nan 0.000 0.551 198 S N -3.031 112.800 115.700 0.218 0.000 3.521 198 S HA -0.215 4.255 4.470 0.000 0.000 0.362 198 S C 0.717 175.416 174.600 0.166 0.000 1.044 198 S CA 1.024 59.348 58.200 0.207 0.000 1.091 198 S CB -1.612 61.712 63.200 0.207 0.000 0.908 198 S HN 0.940 nan 8.310 nan 0.000 0.473 199 A N -0.796 122.136 122.820 0.187 0.000 2.574 199 A HA 0.629 4.949 4.320 0.000 0.000 0.283 199 A C -0.037 177.405 177.584 -0.238 0.000 1.270 199 A CA -0.045 51.977 52.037 -0.025 0.000 0.945 199 A CB 0.370 19.309 19.000 -0.101 0.000 1.127 199 A HN 0.510 nan 8.150 nan 0.000 0.522 200 Y N -1.243 119.071 120.300 0.023 0.000 2.669 200 Y HA 0.632 5.182 4.550 0.000 0.000 0.335 200 Y C 0.653 176.540 175.900 -0.020 0.000 1.116 200 Y CA -0.194 57.908 58.100 0.004 0.000 1.081 200 Y CB 1.846 40.305 38.460 -0.001 0.000 1.297 200 Y HN 0.170 nan 8.280 nan 0.000 0.484 201 T N -2.857 111.795 114.554 0.164 0.000 2.804 201 T HA 0.380 4.730 4.350 0.000 0.000 0.290 201 T C 0.427 175.152 174.700 0.042 0.000 1.099 201 T CA -0.923 61.212 62.100 0.058 0.000 1.011 201 T CB 0.744 69.631 68.868 0.030 0.000 1.291 201 T HN 0.563 nan 8.240 nan 0.000 0.523 202 L N 0.527 121.748 121.223 -0.003 0.000 2.127 202 L HA -0.067 4.273 4.340 0.000 0.000 0.211 202 L C 3.109 179.985 176.870 0.009 0.000 1.089 202 L CA 1.669 56.501 54.840 -0.013 0.000 0.757 202 L CB -0.865 41.179 42.059 -0.025 0.000 0.899 202 L HN 0.954 nan 8.230 nan 0.000 0.434 203 A N -0.364 122.469 122.820 0.022 0.000 1.978 203 A HA -0.219 4.101 4.320 0.000 0.000 0.220 203 A C 1.734 179.348 177.584 0.050 0.000 1.170 203 A CA 1.826 53.881 52.037 0.030 0.000 0.636 203 A CB -0.384 18.632 19.000 0.028 0.000 0.810 203 A HN 0.430 nan 8.150 nan 0.000 0.448 204 D N -0.068 120.384 120.400 0.087 0.000 2.340 204 D HA 0.224 4.864 4.640 0.000 0.000 0.220 204 D C 1.882 178.221 176.300 0.066 0.000 1.039 204 D CA 0.761 54.840 54.000 0.131 0.000 0.866 204 D CB -0.013 40.987 40.800 0.334 0.000 0.913 204 D HN 0.463 nan 8.370 nan 0.000 0.523 205 A N 1.314 124.148 122.820 0.024 0.000 1.948 205 A HA -0.147 4.173 4.320 0.000 0.000 0.220 205 A C 2.374 179.955 177.584 -0.006 0.000 1.177 205 A CA 2.037 54.068 52.037 -0.011 0.000 0.636 205 A CB -1.021 17.970 19.000 -0.014 0.000 0.815 205 A HN 0.329 nan 8.150 nan 0.000 0.449 206 G N -0.848 107.958 108.800 0.011 0.000 2.402 206 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 206 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 206 G C 1.690 176.601 174.900 0.019 0.000 1.162 206 G CA 1.181 46.288 45.100 0.012 0.000 0.777 206 G HN 0.507 nan 8.290 nan 0.000 0.539 207 R N 0.379 120.902 120.500 0.038 0.000 2.081 207 R HA 0.122 4.462 4.340 0.000 0.000 0.235 207 R C 2.528 178.841 176.300 0.021 0.000 1.131 207 R CA 1.083 57.215 56.100 0.053 0.000 0.960 207 R CB -0.798 29.568 30.300 0.110 0.000 0.856 207 R HN 0.409 nan 8.270 nan 0.000 0.436 208 L N -0.203 121.005 121.223 -0.025 0.000 2.093 208 L HA -0.017 4.323 4.340 0.000 0.000 0.208 208 L C 2.633 179.478 176.870 -0.040 0.000 1.085 208 L CA 1.470 56.258 54.840 -0.087 0.000 0.755 208 L CB -0.450 41.501 42.059 -0.181 0.000 0.904 208 L HN 0.201 nan 8.230 nan 0.000 0.435 209 R N 0.358 120.843 120.500 -0.026 0.000 2.170 209 R HA -0.222 4.118 4.340 0.000 0.000 0.242 209 R C 2.123 178.417 176.300 -0.009 0.000 1.145 209 R CA 1.429 57.517 56.100 -0.019 0.000 0.984 209 R CB -0.103 30.187 30.300 -0.017 0.000 0.869 209 R HN 0.462 nan 8.270 nan 0.000 0.455 210 Q N 0.052 119.858 119.800 0.011 0.000 2.364 210 Q HA -0.081 4.259 4.340 0.000 0.000 0.207 210 Q C 1.939 177.995 176.000 0.093 0.000 0.970 210 Q CA 0.899 56.723 55.803 0.036 0.000 0.888 210 Q CB 0.073 28.849 28.738 0.062 0.000 0.951 210 Q HN 0.439 nan 8.270 nan 0.000 0.469 211 L N 0.402 121.681 121.223 0.093 0.000 2.275 211 L HA -0.175 4.165 4.340 0.000 0.000 0.215 211 L C 1.476 178.407 176.870 0.100 0.000 1.119 211 L CA 0.497 55.441 54.840 0.173 0.000 0.790 211 L CB -0.341 41.761 42.059 0.072 0.000 0.919 211 L HN 0.157 nan 8.230 nan 0.000 0.443 212 D N 0.788 121.185 120.400 -0.004 0.000 2.133 212 D HA -0.250 4.390 4.640 0.000 0.000 0.195 212 D C 1.983 178.219 176.300 -0.108 0.000 0.997 212 D CA 1.674 55.649 54.000 -0.042 0.000 0.840 212 D CB -0.036 40.733 40.800 -0.051 0.000 0.947 212 D HN 0.585 nan 8.370 nan 0.000 0.452 213 E N -0.500 119.540 120.200 -0.267 0.000 2.418 213 E HA -0.172 4.178 4.350 0.000 0.000 0.197 213 E C 0.642 176.977 176.600 -0.443 0.000 1.026 213 E CA 0.527 56.692 56.400 -0.393 0.000 0.862 213 E CB -0.313 29.079 29.700 -0.514 0.000 0.799 213 E HN 0.348 nan 8.360 nan 0.000 0.518 214 Y N 1.701 121.993 120.300 -0.013 0.000 2.537 214 Y HA 0.141 4.691 4.550 -0.000 0.000 0.303 214 Y C -0.183 175.715 175.900 -0.004 0.000 1.176 214 Y CA -0.536 57.558 58.100 -0.010 0.000 1.273 214 Y CB -0.164 38.285 38.460 -0.018 0.000 1.110 214 Y HN -0.056 nan 8.280 nan 0.000 0.518 215 D N 0.817 121.259 120.400 0.070 0.000 2.720 215 D HA -0.226 4.414 4.640 0.000 0.000 0.229 215 D C -0.310 176.028 176.300 0.064 0.000 1.198 215 D CA 0.702 54.733 54.000 0.052 0.000 0.639 215 D CB -1.001 39.823 40.800 0.040 0.000 1.003 215 D HN 0.390 nan 8.370 nan 0.000 0.411 216 L N -0.038 121.227 121.223 0.070 0.000 2.456 216 L HA 0.032 4.372 4.340 0.000 0.000 0.272 216 L C 2.203 179.101 176.870 0.046 0.000 1.189 216 L CA -0.164 54.709 54.840 0.054 0.000 0.846 216 L CB 0.379 42.469 42.059 0.051 0.000 1.111 216 L HN -0.085 nan 8.230 nan 0.000 0.475 217 T N 0.622 115.204 114.554 0.046 0.000 2.833 217 T HA -0.085 4.265 4.350 0.000 0.000 0.269 217 T C 0.402 175.147 174.700 0.075 0.000 1.054 217 T CA 1.228 63.362 62.100 0.058 0.000 1.135 217 T CB -0.228 68.675 68.868 0.059 0.000 0.869 217 T HN 0.875 nan 8.240 nan 0.000 0.466 218 C N -0.970 118.378 119.300 0.080 0.000 3.176 218 C HA 0.653 5.113 4.460 0.000 0.000 0.343 218 C C -1.638 173.395 174.990 0.073 0.000 1.332 218 C CA -2.068 56.998 59.018 0.080 0.000 1.200 218 C CB 0.364 28.172 27.740 0.114 0.000 1.440 218 C HN 0.252 nan 8.230 nan 0.000 0.458 219 I N 1.636 122.238 120.570 0.055 0.000 2.362 219 I HA 0.440 4.610 4.170 0.000 0.000 0.289 219 I C 0.043 176.201 176.117 0.069 0.000 0.994 219 I CA 0.103 61.428 61.300 0.041 0.000 1.158 219 I CB 1.451 39.445 38.000 -0.010 0.000 1.315 219 I HN 0.785 nan 8.210 nan 0.000 0.451 220 E N 5.983 126.242 120.200 0.098 0.000 2.167 220 E HA 0.139 4.489 4.350 0.000 0.000 0.284 220 E C -0.340 176.335 176.600 0.124 0.000 1.016 220 E CA -0.575 55.892 56.400 0.112 0.000 0.817 220 E CB 0.697 30.498 29.700 0.167 0.000 1.080 220 E HN 0.459 nan 8.360 nan 0.000 0.397 221 Q N 3.644 123.518 119.800 0.124 0.000 2.437 221 Q HA -0.161 4.179 4.340 0.000 0.000 0.354 221 Q C -2.029 174.145 176.000 0.289 0.000 1.402 221 Q CA 0.623 56.558 55.803 0.220 0.000 1.020 221 Q CB -0.199 28.622 28.738 0.138 0.000 1.220 221 Q HN 0.499 nan 8.270 nan 0.000 0.368 222 P HA -0.078 nan 4.420 nan 0.000 0.224 222 P C 0.241 177.620 177.300 0.131 0.000 1.157 222 P CA 0.934 64.119 63.100 0.141 0.000 0.799 222 P CB 0.290 31.954 31.700 -0.061 0.000 0.809 223 L N -0.997 120.195 121.223 -0.053 0.000 2.687 223 L HA 0.612 4.952 4.340 0.000 0.000 0.252 223 L C 0.912 177.846 176.870 0.106 0.000 1.115 223 L CA -1.639 53.138 54.840 -0.106 0.000 0.893 223 L CB -0.635 41.162 42.059 -0.436 0.000 1.670 223 L HN -0.233 nan 8.230 nan 0.000 0.531 224 A N 0.525 123.371 122.820 0.044 0.000 2.613 224 A HA -0.114 4.206 4.320 0.000 0.000 0.230 224 A C 0.909 178.544 177.584 0.084 0.000 1.051 224 A CA 0.264 52.325 52.037 0.041 0.000 0.754 224 A CB -0.244 18.695 19.000 -0.102 0.000 0.979 224 A HN 0.913 nan 8.150 nan 0.000 0.510 225 W N 1.899 123.220 121.300 0.035 0.000 2.465 225 W HA -0.069 4.591 4.660 -0.000 0.000 0.268 225 W C -0.162 176.335 176.519 -0.037 0.000 1.242 225 W CA 1.126 58.462 57.345 -0.015 0.000 1.248 225 W CB -0.443 28.966 29.460 -0.085 0.000 1.118 225 W HN 0.753 nan 8.180 nan 0.000 0.587 226 D N -0.288 119.598 120.400 -0.856 0.000 2.462 226 D HA 0.026 4.666 4.640 0.000 0.000 0.221 226 D C -0.278 175.765 176.300 -0.428 0.000 1.173 226 D CA -0.217 53.249 54.000 -0.889 0.000 0.831 226 D CB -0.661 39.152 40.800 -1.645 0.000 1.001 226 D HN 0.061 nan 8.370 nan 0.000 0.499 227 D N 0.771 121.038 120.400 -0.221 0.000 2.168 227 D HA 0.197 4.837 4.640 0.000 0.000 0.246 227 D C 0.665 176.966 176.300 0.003 0.000 1.050 227 D CA -0.477 53.483 54.000 -0.068 0.000 0.857 227 D CB 1.932 42.755 40.800 0.038 0.000 1.169 227 D HN 0.000 nan 8.370 nan 0.000 0.453 228 L N 2.756 123.963 121.223 -0.027 0.000 2.526 228 L HA 0.033 4.373 4.340 0.000 0.000 0.210 228 L C 2.379 179.266 176.870 0.029 0.000 1.048 228 L CA -0.058 54.767 54.840 -0.025 0.000 0.852 228 L CB -0.193 41.821 42.059 -0.074 0.000 1.128 228 L HN 0.293 nan 8.230 nan 0.000 0.482 229 V N 0.447 120.362 119.914 0.001 0.000 2.343 229 V HA -0.273 3.847 4.120 0.000 0.000 0.247 229 V C 2.032 178.129 176.094 0.005 0.000 1.051 229 V CA 2.015 64.312 62.300 -0.004 0.000 1.036 229 V CB -0.477 31.333 31.823 -0.021 0.000 0.654 229 V HN 0.399 nan 8.190 nan 0.000 0.451 230 D N -1.343 119.055 120.400 -0.004 0.000 2.144 230 D HA -0.134 4.506 4.640 0.000 0.000 0.200 230 D C 2.139 178.404 176.300 -0.059 0.000 0.978 230 D CA 1.107 55.078 54.000 -0.048 0.000 0.833 230 D CB -0.370 40.374 40.800 -0.094 0.000 0.961 230 D HN 0.503 nan 8.370 nan 0.000 0.470 231 H N 0.566 119.609 119.070 -0.044 0.000 2.352 231 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 231 H C 2.051 177.352 175.328 -0.044 0.000 1.097 231 H CA 1.487 57.510 56.048 -0.043 0.000 1.311 231 H CB -0.038 29.693 29.762 -0.052 0.000 1.377 231 H HN 0.101 nan 8.280 nan 0.000 0.504 232 A N 1.104 123.973 122.820 0.081 0.000 1.883 232 A HA -0.227 4.093 4.320 0.000 0.000 0.217 232 A C 2.382 179.969 177.584 0.005 0.000 1.186 232 A CA 1.962 54.012 52.037 0.022 0.000 0.624 232 A CB -0.402 18.599 19.000 0.002 0.000 0.822 232 A HN 0.367 nan 8.150 nan 0.000 0.444 233 E N -0.050 120.147 120.200 -0.004 0.000 2.058 233 E HA -0.205 4.145 4.350 0.000 0.000 0.194 233 E C 1.800 178.388 176.600 -0.020 0.000 0.997 233 E CA 1.610 58.001 56.400 -0.015 0.000 0.801 233 E CB -0.562 29.125 29.700 -0.022 0.000 0.746 233 E HN 0.432 nan 8.360 nan 0.000 0.450 234 L N 0.349 121.553 121.223 -0.032 0.000 2.046 234 L HA -0.041 4.299 4.340 0.000 0.000 0.208 234 L C 2.243 179.100 176.870 -0.021 0.000 1.077 234 L CA 2.379 57.195 54.840 -0.041 0.000 0.747 234 L CB -1.047 40.964 42.059 -0.080 0.000 0.896 234 L HN 0.189 nan 8.230 nan 0.000 0.432 235 A N -0.463 122.355 122.820 -0.004 0.000 2.024 235 A HA -0.216 4.104 4.320 0.000 0.000 0.220 235 A C 2.351 179.931 177.584 -0.006 0.000 1.164 235 A CA 1.763 53.799 52.037 -0.000 0.000 0.643 235 A CB -0.598 18.405 19.000 0.006 0.000 0.806 235 A HN 0.572 nan 8.150 nan 0.000 0.451 236 R N -0.959 119.536 120.500 -0.008 0.000 2.236 236 R HA 0.059 4.399 4.340 0.000 0.000 0.208 236 R C 1.779 178.072 176.300 -0.011 0.000 1.036 236 R CA 0.689 56.784 56.100 -0.008 0.000 1.001 236 R CB -0.040 30.255 30.300 -0.007 0.000 0.896 236 R HN 0.460 nan 8.270 nan 0.000 0.464 237 R N 0.643 121.135 120.500 -0.014 0.000 2.265 237 R HA 0.197 4.537 4.340 0.000 0.000 0.194 237 R C 1.063 177.353 176.300 -0.017 0.000 0.931 237 R CA 0.435 56.526 56.100 -0.015 0.000 1.032 237 R CB 0.245 30.534 30.300 -0.017 0.000 0.980 237 R HN 0.226 nan 8.270 nan 0.000 0.497 238 I N -2.875 117.684 120.570 -0.019 0.000 2.828 238 I HA 0.363 4.533 4.170 0.000 0.000 0.302 238 I C 0.619 176.726 176.117 -0.016 0.000 1.101 238 I CA -1.116 60.171 61.300 -0.021 0.000 1.031 238 I CB 2.438 40.421 38.000 -0.028 0.000 1.231 238 I HN -0.241 nan 8.210 nan 0.000 0.427 239 R N 1.193 121.683 120.500 -0.017 0.000 2.210 239 R HA 0.133 4.473 4.340 0.000 0.000 0.203 239 R C 0.180 176.476 176.300 -0.007 0.000 1.010 239 R CA 0.335 56.428 56.100 -0.013 0.000 1.008 239 R CB -0.326 29.964 30.300 -0.017 0.000 0.923 239 R HN 0.665 nan 8.270 nan 0.000 0.469 240 T N 4.386 118.936 114.554 -0.006 0.000 2.867 240 T HA 0.103 4.453 4.350 0.000 0.000 0.297 240 T C -2.282 172.422 174.700 0.006 0.000 0.989 240 T CA -0.897 61.205 62.100 0.003 0.000 1.159 240 T CB 0.912 69.783 68.868 0.005 0.000 0.928 240 T HN -0.029 nan 8.240 nan 0.000 0.538 241 P HA 0.100 nan 4.420 nan 0.000 0.267 241 P C -0.404 176.907 177.300 0.018 0.000 1.201 241 P CA -0.055 63.053 63.100 0.013 0.000 0.775 241 P CB 0.444 32.157 31.700 0.022 0.000 0.854 242 L N 1.602 122.833 121.223 0.013 0.000 2.334 242 L HA 0.547 4.887 4.340 0.000 0.000 0.275 242 L C 0.178 177.042 176.870 -0.009 0.000 1.036 242 L CA -0.730 54.123 54.840 0.022 0.000 0.807 242 L CB 1.677 43.768 42.059 0.052 0.000 1.231 242 L HN 0.437 nan 8.230 nan 0.000 0.438 243 C N 4.110 123.405 119.300 -0.009 0.000 2.408 243 C HA 0.638 5.098 4.460 0.000 0.000 0.321 243 C C -0.271 174.645 174.990 -0.123 0.000 1.245 243 C CA -0.654 58.323 59.018 -0.069 0.000 1.523 243 C CB 0.250 27.983 27.740 -0.012 0.000 2.178 243 C HN 0.705 nan 8.230 nan 0.000 0.488 244 L N 5.378 126.482 121.223 -0.199 0.000 2.325 244 L HA 0.500 4.840 4.340 0.000 0.000 0.279 244 L C 0.438 177.189 176.870 -0.198 0.000 1.054 244 L CA 0.035 54.740 54.840 -0.225 0.000 0.804 244 L CB 1.387 43.288 42.059 -0.262 0.000 1.200 244 L HN 0.793 nan 8.230 nan 0.000 0.436 245 D N 0.365 120.692 120.400 -0.122 0.000 3.041 245 D HA -0.006 4.634 4.640 0.000 0.000 0.201 245 D C 1.337 177.647 176.300 0.017 0.000 1.432 245 D CA 0.172 54.145 54.000 -0.044 0.000 1.469 245 D CB 0.222 41.049 40.800 0.045 0.000 1.051 245 D HN 0.497 nan 8.370 nan 0.000 0.203 246 E N 0.280 120.511 120.200 0.052 0.000 2.171 246 E HA -0.077 4.273 4.350 0.000 0.000 0.197 246 E C 2.007 178.661 176.600 0.090 0.000 0.997 246 E CA 1.315 57.745 56.400 0.049 0.000 0.810 246 E CB -0.103 29.634 29.700 0.061 0.000 0.738 246 E HN 0.067 nan 8.360 nan 0.000 0.467 247 S N -0.399 115.302 115.700 0.000 0.000 2.453 247 S HA -0.015 4.455 4.470 0.000 0.000 0.231 247 S C 0.486 175.046 174.600 -0.066 0.000 1.005 247 S CA 0.354 58.512 58.200 -0.070 0.000 0.949 247 S CB 0.345 63.436 63.200 -0.181 0.000 0.774 247 S HN -0.032 nan 8.310 nan 0.000 0.510 248 V N 1.692 121.573 119.914 -0.055 0.000 2.293 248 V HA 0.565 4.685 4.120 0.000 0.000 0.275 248 V C 0.384 176.473 176.094 -0.009 0.000 1.021 248 V CA -0.413 61.855 62.300 -0.054 0.000 0.815 248 V CB 0.717 32.484 31.823 -0.093 0.000 1.025 248 V HN 0.250 nan 8.190 nan 0.000 0.448 249 A N 3.740 126.567 122.820 0.011 0.000 2.503 249 A HA 0.679 4.999 4.320 0.000 0.000 0.263 249 A C 0.693 178.294 177.584 0.029 0.000 1.258 249 A CA 0.518 52.577 52.037 0.038 0.000 0.936 249 A CB 0.172 19.211 19.000 0.065 0.000 1.070 249 A HN 0.974 nan 8.150 nan 0.000 0.522 250 S N -3.320 112.388 115.700 0.012 0.000 2.636 250 S HA 0.590 5.060 4.470 0.000 0.000 0.266 250 S C 0.806 175.412 174.600 0.009 0.000 1.147 250 S CA 0.141 58.352 58.200 0.017 0.000 0.815 250 S CB 0.665 63.878 63.200 0.022 0.000 1.119 250 S HN 1.066 nan 8.310 nan 0.000 0.470 251 A N 1.548 124.382 122.820 0.023 0.000 1.933 251 A HA 0.031 4.351 4.320 0.000 0.000 0.218 251 A C 2.340 179.937 177.584 0.022 0.000 1.175 251 A CA 2.400 54.454 52.037 0.028 0.000 0.628 251 A CB -1.556 17.472 19.000 0.046 0.000 0.814 251 A HN 1.683 nan 8.150 nan 0.000 0.444 252 S N 0.073 115.785 115.700 0.020 0.000 2.406 252 S HA -0.149 4.321 4.470 0.000 0.000 0.228 252 S C 1.368 175.963 174.600 -0.008 0.000 1.020 252 S CA 1.226 59.436 58.200 0.016 0.000 0.965 252 S CB -0.465 62.746 63.200 0.018 0.000 0.798 252 S HN 0.491 nan 8.310 nan 0.000 0.488 253 D N 2.733 123.121 120.400 -0.020 0.000 2.123 253 D HA -0.020 4.620 4.640 0.000 0.000 0.196 253 D C 2.295 178.547 176.300 -0.079 0.000 0.992 253 D CA 1.554 55.526 54.000 -0.047 0.000 0.833 253 D CB -0.768 40.006 40.800 -0.043 0.000 0.954 253 D HN 0.560 nan 8.370 nan 0.000 0.455 254 A N 1.378 124.154 122.820 -0.074 0.000 1.877 254 A HA -0.217 4.103 4.320 0.000 0.000 0.216 254 A C 2.189 179.672 177.584 -0.168 0.000 1.186 254 A CA 1.665 53.630 52.037 -0.120 0.000 0.620 254 A CB -0.498 18.454 19.000 -0.080 0.000 0.822 254 A HN 0.058 nan 8.150 nan 0.000 0.443 255 R N 0.416 120.879 120.500 -0.062 0.000 2.094 255 R HA -0.200 4.140 4.340 0.000 0.000 0.239 255 R C 1.965 178.203 176.300 -0.104 0.000 1.137 255 R CA 2.357 58.458 56.100 0.000 0.000 0.943 255 R CB -0.508 29.862 30.300 0.117 0.000 0.850 255 R HN 0.621 nan 8.270 nan 0.000 0.433 256 K N -0.143 120.211 120.400 -0.076 0.000 2.025 256 K HA -0.053 4.267 4.320 0.000 0.000 0.207 256 K C 2.247 178.765 176.600 -0.136 0.000 1.049 256 K CA 1.370 57.612 56.287 -0.075 0.000 0.933 256 K CB -0.271 32.199 32.500 -0.051 0.000 0.714 256 K HN 0.250 nan 8.250 nan 0.000 0.438 257 A N 1.590 124.306 122.820 -0.174 0.000 1.892 257 A HA -0.198 4.122 4.320 0.000 0.000 0.218 257 A C 2.145 179.565 177.584 -0.273 0.000 1.188 257 A CA 1.610 53.526 52.037 -0.202 0.000 0.631 257 A CB -0.759 18.112 19.000 -0.215 0.000 0.822 257 A HN 0.187 nan 8.150 nan 0.000 0.447 258 L N -1.407 119.533 121.223 -0.472 0.000 2.131 258 L HA -0.037 4.303 4.340 0.000 0.000 0.206 258 L C 3.034 179.561 176.870 -0.573 0.000 1.087 258 L CA 0.748 55.146 54.840 -0.736 0.000 0.767 258 L CB -0.459 40.709 42.059 -1.484 0.000 0.917 258 L HN 0.424 nan 8.230 nan 0.000 0.441 259 A N 0.170 122.761 122.820 -0.382 0.000 1.930 259 A HA -0.133 4.187 4.320 0.000 0.000 0.217 259 A C 2.228 179.805 177.584 -0.011 0.000 1.175 259 A CA 1.273 53.326 52.037 0.026 0.000 0.627 259 A CB -0.585 18.499 19.000 0.139 0.000 0.815 259 A HN 0.342 nan 8.150 nan 0.000 0.443 260 L N -1.419 119.764 121.223 -0.067 0.000 2.201 260 L HA 0.047 4.387 4.340 0.000 0.000 0.212 260 L C 1.769 178.614 176.870 -0.043 0.000 1.105 260 L CA 0.857 55.670 54.840 -0.044 0.000 0.775 260 L CB -0.300 41.726 42.059 -0.055 0.000 0.913 260 L HN 0.621 nan 8.230 nan 0.000 0.440 261 G N -1.128 107.626 108.800 -0.075 0.000 2.142 261 G HA2 -0.279 3.681 3.960 0.000 0.000 0.225 261 G HA3 -0.279 3.681 3.960 0.000 0.000 0.225 261 G C 0.859 175.727 174.900 -0.053 0.000 1.015 261 G CA 0.330 45.395 45.100 -0.058 0.000 0.716 261 G HN 0.424 nan 8.290 nan 0.000 0.508 262 A N -0.857 121.917 122.820 -0.077 0.000 2.066 262 A HA 0.587 4.907 4.320 0.000 0.000 0.218 262 A C 1.622 179.163 177.584 -0.071 0.000 1.157 262 A CA 1.896 53.901 52.037 -0.053 0.000 0.670 262 A CB 0.122 19.071 19.000 -0.085 0.000 0.804 262 A HN 2.178 nan 8.150 nan 0.000 0.453 263 G N -3.881 104.853 108.800 -0.110 0.000 2.673 263 G HA2 0.453 4.413 3.960 0.000 0.000 0.292 263 G HA3 0.453 4.413 3.960 0.000 0.000 0.292 263 G C 0.174 175.009 174.900 -0.108 0.000 1.450 263 G CA 0.211 45.248 45.100 -0.106 0.000 0.837 263 G HN 0.616 nan 8.290 nan 0.000 0.505 264 G N -1.267 107.488 108.800 -0.076 0.000 3.192 264 G HA2 0.473 4.433 3.960 0.000 0.000 0.239 264 G HA3 0.473 4.433 3.960 0.000 0.000 0.239 264 G C -0.309 174.550 174.900 -0.068 0.000 1.084 264 G CA 0.245 45.309 45.100 -0.061 0.000 0.784 264 G HN 1.001 nan 8.290 nan 0.000 0.540 265 V N 0.632 120.486 119.914 -0.100 0.000 2.969 265 V HA 0.461 4.581 4.120 0.000 0.000 0.304 265 V C -1.215 174.747 176.094 -0.221 0.000 1.192 265 V CA -0.766 61.459 62.300 -0.125 0.000 0.962 265 V CB 2.338 34.135 31.823 -0.045 0.000 1.045 265 V HN 0.093 nan 8.190 nan 0.000 0.428 266 I N 2.942 123.329 120.570 -0.306 0.000 2.509 266 I HA 0.422 4.592 4.170 0.000 0.000 0.293 266 I C 0.054 175.812 176.117 -0.598 0.000 1.020 266 I CA -0.349 60.733 61.300 -0.364 0.000 1.088 266 I CB 1.908 39.740 38.000 -0.279 0.000 1.267 266 I HN 0.748 nan 8.210 nan 0.000 0.430 267 N N 6.515 124.816 118.700 -0.664 0.000 2.469 267 N HA 0.213 4.953 4.740 0.000 0.000 0.239 267 N C -1.094 174.179 175.510 -0.395 0.000 1.053 267 N CA -0.680 51.823 53.050 -0.911 0.000 0.937 267 N CB 0.706 38.592 38.487 -1.002 0.000 1.163 267 N HN 0.346 nan 8.380 nan 0.000 0.509 268 L N 4.124 125.188 121.223 -0.265 0.000 2.283 268 L HA 0.321 4.661 4.340 0.000 0.000 0.287 268 L C -0.658 176.244 176.870 0.054 0.000 1.073 268 L CA -0.067 54.733 54.840 -0.066 0.000 0.822 268 L CB 0.291 42.328 42.059 -0.037 0.000 1.186 268 L HN 0.420 nan 8.230 nan 0.000 0.436 269 K N 4.574 124.997 120.400 0.038 0.000 2.316 269 K HA 0.195 4.515 4.320 0.000 0.000 0.267 269 K C 0.863 177.480 176.600 0.029 0.000 1.025 269 K CA -0.393 55.922 56.287 0.047 0.000 0.896 269 K CB 2.074 34.592 32.500 0.030 0.000 1.124 269 K HN 0.551 nan 8.250 nan 0.000 0.451 270 V N 3.215 123.138 119.914 0.015 0.000 2.370 270 V HA -0.341 3.779 4.120 0.000 0.000 0.252 270 V C 1.747 177.796 176.094 -0.076 0.000 1.068 270 V CA 2.840 65.108 62.300 -0.053 0.000 1.061 270 V CB -0.156 31.567 31.823 -0.166 0.000 0.656 270 V HN 0.919 nan 8.190 nan 0.000 0.455 271 A N -0.525 122.258 122.820 -0.063 0.000 1.903 271 A HA -0.053 4.267 4.320 0.000 0.000 0.213 271 A C 2.365 179.953 177.584 0.006 0.000 1.185 271 A CA 1.168 53.173 52.037 -0.053 0.000 0.628 271 A CB -0.673 18.288 19.000 -0.065 0.000 0.830 271 A HN 0.536 nan 8.150 nan 0.000 0.446 272 R N 0.302 120.826 120.500 0.040 0.000 2.133 272 R HA -0.168 4.172 4.340 0.000 0.000 0.247 272 R C 1.653 177.993 176.300 0.066 0.000 1.151 272 R CA 2.169 58.324 56.100 0.092 0.000 0.971 272 R CB -0.357 30.034 30.300 0.151 0.000 0.866 272 R HN 0.540 nan 8.270 nan 0.000 0.447 273 V N -3.826 116.112 119.914 0.040 0.000 3.649 273 V HA 0.397 4.517 4.120 0.000 0.000 0.275 273 V C 0.940 177.053 176.094 0.031 0.000 1.281 273 V CA 0.684 63.006 62.300 0.036 0.000 1.143 273 V CB 0.412 32.253 31.823 0.030 0.000 0.892 273 V HN 0.453 nan 8.190 nan 0.000 0.441 274 G N -1.507 107.305 108.800 0.021 0.000 2.179 274 G HA2 0.288 4.248 3.960 0.000 0.000 0.220 274 G HA3 0.288 4.248 3.960 0.000 0.000 0.220 274 G C 0.998 175.902 174.900 0.006 0.000 0.990 274 G CA -0.012 45.099 45.100 0.018 0.000 0.646 274 G HN 2.206 nan 8.290 nan 0.000 0.517 275 G N -1.610 107.177 108.800 -0.023 0.000 2.298 275 G HA2 0.220 4.180 3.960 0.000 0.000 0.309 275 G HA3 0.220 4.180 3.960 0.000 0.000 0.309 275 G C 0.190 175.049 174.900 -0.067 0.000 1.279 275 G CA 0.503 45.561 45.100 -0.070 0.000 1.042 275 G HN 0.530 nan 8.290 nan 0.000 0.480 276 H N -0.014 119.069 119.070 0.022 0.000 2.317 276 H HA 0.140 4.697 4.556 0.000 0.000 0.304 276 H C 3.152 178.415 175.328 -0.108 0.000 1.067 276 H CA 2.328 58.271 56.048 -0.176 0.000 1.352 276 H CB -0.614 28.757 29.762 -0.652 0.000 1.398 276 H HN 0.725 nan 8.280 nan 0.000 0.510 277 A N 1.271 124.230 122.820 0.233 0.000 1.859 277 A HA -0.263 4.057 4.320 0.000 0.000 0.217 277 A C 2.367 180.040 177.584 0.149 0.000 1.198 277 A CA 2.295 54.488 52.037 0.259 0.000 0.629 277 A CB -0.555 18.698 19.000 0.422 0.000 0.830 277 A HN 0.407 nan 8.150 nan 0.000 0.446 278 E N 0.020 120.298 120.200 0.130 0.000 2.153 278 E HA -0.099 4.251 4.350 0.000 0.000 0.194 278 E C 2.160 178.806 176.600 0.077 0.000 0.988 278 E CA 1.431 57.883 56.400 0.088 0.000 0.811 278 E CB -0.228 29.512 29.700 0.067 0.000 0.746 278 E HN 0.541 nan 8.360 nan 0.000 0.466 279 S N 0.030 115.775 115.700 0.074 0.000 2.348 279 S HA -0.174 4.296 4.470 0.000 0.000 0.221 279 S C 1.869 176.535 174.600 0.110 0.000 1.033 279 S CA 1.193 59.447 58.200 0.091 0.000 1.010 279 S CB -0.354 62.905 63.200 0.099 0.000 0.891 279 S HN 0.291 nan 8.310 nan 0.000 0.442 280 R N 1.147 121.690 120.500 0.071 0.000 2.113 280 R HA -0.175 4.165 4.340 0.000 0.000 0.244 280 R C 2.444 178.814 176.300 0.117 0.000 1.142 280 R CA 1.737 57.858 56.100 0.036 0.000 0.953 280 R CB -0.178 30.125 30.300 0.006 0.000 0.860 280 R HN 0.344 nan 8.270 nan 0.000 0.438 281 R N -0.511 120.053 120.500 0.107 0.000 2.081 281 R HA -0.083 4.257 4.340 0.000 0.000 0.235 281 R C 2.355 178.717 176.300 0.104 0.000 1.131 281 R CA 1.505 57.669 56.100 0.106 0.000 0.960 281 R CB -0.399 29.953 30.300 0.087 0.000 0.856 281 R HN 0.103 nan 8.270 nan 0.000 0.436 282 V N 0.682 120.648 119.914 0.087 0.000 2.287 282 V HA -0.314 3.806 4.120 0.000 0.000 0.248 282 V C 2.321 178.446 176.094 0.052 0.000 1.053 282 V CA 2.353 64.684 62.300 0.050 0.000 1.027 282 V CB -0.680 31.157 31.823 0.023 0.000 0.646 282 V HN 0.477 nan 8.190 nan 0.000 0.447 283 H N -0.027 119.014 119.070 -0.049 0.000 2.387 283 H HA -0.172 4.383 4.556 -0.000 0.000 0.299 283 H C 1.947 177.248 175.328 -0.045 0.000 1.090 283 H CA 1.967 57.948 56.048 -0.112 0.000 1.332 283 H CB -0.027 29.681 29.762 -0.090 0.000 1.386 283 H HN 0.391 nan 8.280 nan 0.000 0.516 284 D N -0.070 120.457 120.400 0.213 0.000 2.183 284 D HA -0.101 4.539 4.640 0.000 0.000 0.203 284 D C 2.309 178.642 176.300 0.056 0.000 0.969 284 D CA 0.914 54.992 54.000 0.130 0.000 0.842 284 D CB -0.049 40.854 40.800 0.171 0.000 0.957 284 D HN 0.314 nan 8.370 nan 0.000 0.484 285 V N 1.060 121.019 119.914 0.074 0.000 2.407 285 V HA -0.138 3.982 4.120 0.000 0.000 0.245 285 V C 2.434 178.642 176.094 0.189 0.000 1.041 285 V CA 1.462 63.840 62.300 0.129 0.000 1.040 285 V CB -0.579 31.322 31.823 0.130 0.000 0.671 285 V HN 0.155 nan 8.190 nan 0.000 0.455 286 A N -0.271 122.579 122.820 0.051 0.000 1.859 286 A HA -0.372 3.948 4.320 0.000 0.000 0.217 286 A C 2.211 179.807 177.584 0.021 0.000 1.198 286 A CA 2.530 54.566 52.037 -0.002 0.000 0.629 286 A CB -0.740 18.177 19.000 -0.138 0.000 0.830 286 A HN 0.576 nan 8.150 nan 0.000 0.446 287 Q N 0.230 119.977 119.800 -0.089 0.000 2.181 287 Q HA -0.179 4.161 4.340 0.000 0.000 0.205 287 Q C 2.078 178.067 176.000 -0.018 0.000 0.980 287 Q CA 2.370 58.115 55.803 -0.097 0.000 0.862 287 Q CB -0.288 28.336 28.738 -0.190 0.000 0.905 287 Q HN 0.787 nan 8.270 nan 0.000 0.429 288 S N -1.254 114.450 115.700 0.008 0.000 2.474 288 S HA -0.078 4.392 4.470 0.000 0.000 0.235 288 S C 1.141 175.676 174.600 -0.108 0.000 0.997 288 S CA 0.526 58.697 58.200 -0.048 0.000 0.949 288 S CB -0.257 62.899 63.200 -0.073 0.000 0.766 288 S HN 0.455 nan 8.310 nan 0.000 0.517 289 F N 1.656 121.576 119.950 -0.049 0.000 2.695 289 F HA 0.410 4.937 4.527 0.000 0.000 0.303 289 F C 1.773 177.546 175.800 -0.044 0.000 1.091 289 F CA 0.066 58.041 58.000 -0.043 0.000 1.300 289 F CB 0.183 39.154 39.000 -0.048 0.000 1.071 289 F HN 0.357 nan 8.300 nan 0.000 0.578 290 G N 1.291 110.149 108.800 0.097 0.000 2.249 290 G HA2 -0.150 3.810 3.960 0.000 0.000 0.273 290 G HA3 -0.150 3.810 3.960 0.000 0.000 0.273 290 G C 0.101 175.024 174.900 0.038 0.000 1.036 290 G CA 0.142 45.270 45.100 0.046 0.000 0.824 290 G HN 0.637 nan 8.290 nan 0.000 0.504 291 A N 0.606 123.446 122.820 0.033 0.000 2.292 291 A HA 0.870 5.190 4.320 0.000 0.000 0.319 291 A C -1.432 176.108 177.584 -0.074 0.000 1.206 291 A CA -1.403 50.620 52.037 -0.023 0.000 0.835 291 A CB 1.707 20.673 19.000 -0.056 0.000 1.164 291 A HN 0.221 nan 8.150 nan 0.000 0.505 292 P HA 0.434 nan 4.420 nan 0.000 0.278 292 P C -0.296 176.911 177.300 -0.154 0.000 1.258 292 P CA -0.173 62.877 63.100 -0.084 0.000 0.811 292 P CB 1.336 33.038 31.700 0.005 0.000 1.063 293 V N -1.984 117.791 119.914 -0.231 0.000 3.019 293 V HA 0.795 4.915 4.120 0.000 0.000 0.317 293 V C -0.645 175.388 176.094 -0.102 0.000 1.094 293 V CA -0.940 61.166 62.300 -0.324 0.000 1.000 293 V CB 2.162 33.663 31.823 -0.538 0.000 1.060 293 V HN 0.763 nan 8.190 nan 0.000 0.443 294 W N -0.213 121.050 121.300 -0.062 0.000 2.975 294 W HA 0.677 5.337 4.660 -0.000 0.000 0.342 294 W C -0.988 175.699 176.519 0.280 0.000 1.168 294 W CA -1.263 56.171 57.345 0.147 0.000 1.141 294 W CB 1.298 30.832 29.460 0.122 0.000 1.445 294 W HN 0.845 nan 8.180 nan 0.000 0.560 295 C N 3.101 122.895 119.300 0.824 0.000 2.322 295 C HA 0.599 5.059 4.460 0.000 0.000 0.343 295 C C 1.136 176.419 174.990 0.489 0.000 1.190 295 C CA 0.443 59.804 59.018 0.572 0.000 1.704 295 C CB -1.214 26.712 27.740 0.311 0.000 2.293 295 C HN 0.765 nan 8.230 nan 0.000 0.523 296 G N 4.149 113.165 108.800 0.361 0.000 2.580 296 G HA2 0.605 4.565 3.960 0.000 0.000 0.278 296 G HA3 0.605 4.565 3.960 0.000 0.000 0.278 296 G C 0.067 175.068 174.900 0.168 0.000 1.212 296 G CA 0.149 45.451 45.100 0.337 0.000 0.939 296 G HN 1.160 nan 8.290 nan 0.000 0.513 297 G N -1.443 107.418 108.800 0.102 0.000 2.569 297 G HA2 0.516 4.476 3.960 0.000 0.000 0.300 297 G HA3 0.516 4.476 3.960 0.000 0.000 0.300 297 G C -0.353 174.497 174.900 -0.085 0.000 1.269 297 G CA -0.644 44.460 45.100 0.006 0.000 0.959 297 G HN 0.385 nan 8.290 nan 0.000 0.478 298 M N 1.654 121.180 119.600 -0.124 0.000 3.731 298 M HA 0.242 4.722 4.480 0.000 0.000 0.442 298 M C 0.016 176.231 176.300 -0.141 0.000 1.776 298 M CA -0.357 54.839 55.300 -0.173 0.000 0.646 298 M CB 0.245 32.724 32.600 -0.201 0.000 1.439 298 M HN 0.463 nan 8.290 nan 0.000 0.523 299 L N 1.246 122.337 121.223 -0.221 0.000 3.739 299 L HA -0.261 4.079 4.340 0.000 0.000 0.442 299 L C -0.031 176.831 176.870 -0.014 0.000 1.241 299 L CA 0.916 55.574 54.840 -0.304 0.000 0.819 299 L CB -1.287 40.680 42.059 -0.153 0.000 1.679 299 L HN 0.400 nan 8.230 nan 0.000 0.889 300 E N -0.767 119.418 120.200 -0.025 0.000 2.374 300 E HA 0.513 4.863 4.350 0.000 0.000 0.260 300 E C 0.795 177.531 176.600 0.226 0.000 1.101 300 E CA 0.373 56.822 56.400 0.083 0.000 0.907 300 E CB 0.634 30.356 29.700 0.037 0.000 1.014 300 E HN 0.415 nan 8.360 nan 0.000 0.427 301 S N 0.174 115.905 115.700 0.052 0.000 2.640 301 S HA 0.243 4.713 4.470 0.000 0.000 0.262 301 S C 1.425 176.056 174.600 0.051 0.000 1.232 301 S CA -0.304 57.840 58.200 -0.093 0.000 0.988 301 S CB 0.744 63.779 63.200 -0.275 0.000 1.034 301 S HN 0.595 nan 8.310 nan 0.000 0.569 302 G N -0.186 108.634 108.800 0.033 0.000 2.471 302 G HA2 -0.038 3.922 3.960 0.000 0.000 0.219 302 G HA3 -0.038 3.922 3.960 0.000 0.000 0.219 302 G C 1.183 176.138 174.900 0.091 0.000 1.125 302 G CA 0.511 45.663 45.100 0.087 0.000 0.775 302 G HN 0.547 nan 8.290 nan 0.000 0.548 303 I N 1.884 122.501 120.570 0.078 0.000 2.072 303 I HA -0.079 4.091 4.170 0.000 0.000 0.235 303 I C 3.095 179.351 176.117 0.232 0.000 1.058 303 I CA 1.530 62.914 61.300 0.139 0.000 1.320 303 I CB -1.624 36.439 38.000 0.105 0.000 1.047 303 I HN 0.216 nan 8.210 nan 0.000 0.397 304 G N 0.470 109.352 108.800 0.136 0.000 2.469 304 G HA2 -0.319 3.641 3.960 0.000 0.000 0.219 304 G HA3 -0.319 3.641 3.960 0.000 0.000 0.219 304 G C 1.947 176.939 174.900 0.152 0.000 1.150 304 G CA 1.049 46.215 45.100 0.110 0.000 0.763 304 G HN 0.322 nan 8.290 nan 0.000 0.561 305 R N 0.429 121.006 120.500 0.128 0.000 2.081 305 R HA 0.043 4.383 4.340 0.000 0.000 0.235 305 R C 2.941 179.318 176.300 0.129 0.000 1.131 305 R CA 1.374 57.546 56.100 0.120 0.000 0.960 305 R CB -0.359 30.018 30.300 0.128 0.000 0.856 305 R HN 0.313 nan 8.270 nan 0.000 0.436 306 A N 0.442 123.344 122.820 0.137 0.000 1.902 306 A HA -0.196 4.124 4.320 0.000 0.000 0.217 306 A C 1.903 179.588 177.584 0.168 0.000 1.181 306 A CA 1.419 53.533 52.037 0.129 0.000 0.623 306 A CB -0.870 18.183 19.000 0.089 0.000 0.818 306 A HN 0.442 nan 8.150 nan 0.000 0.443 307 H N -0.002 119.154 119.070 0.143 0.000 2.353 307 H HA -0.127 4.429 4.556 0.000 0.000 0.298 307 H C 1.922 177.370 175.328 0.199 0.000 1.103 307 H CA 1.905 58.069 56.048 0.195 0.000 1.293 307 H CB -0.080 29.782 29.762 0.167 0.000 1.372 307 H HN 0.452 nan 8.280 nan 0.000 0.501 308 N N 0.640 119.476 118.700 0.226 0.000 2.142 308 N HA -0.088 4.652 4.740 0.000 0.000 0.186 308 N C 2.227 177.751 175.510 0.023 0.000 1.023 308 N CA 0.633 53.753 53.050 0.115 0.000 0.852 308 N CB -0.416 38.121 38.487 0.083 0.000 0.998 308 N HN 0.347 nan 8.380 nan 0.000 0.424 309 I N 0.214 120.795 120.570 0.018 0.000 2.179 309 I HA -0.280 3.890 4.170 0.000 0.000 0.242 309 I C 1.921 177.928 176.117 -0.183 0.000 1.088 309 I CA 1.223 62.470 61.300 -0.088 0.000 1.357 309 I CB -0.353 37.591 38.000 -0.093 0.000 1.051 309 I HN 0.176 nan 8.210 nan 0.000 0.409 310 H N 0.141 119.138 119.070 -0.122 0.000 2.319 310 H HA -0.243 4.313 4.556 -0.000 0.000 0.297 310 H C 1.951 177.135 175.328 -0.239 0.000 1.097 310 H CA 2.091 58.030 56.048 -0.181 0.000 1.285 310 H CB -0.255 29.375 29.762 -0.220 0.000 1.368 310 H HN 0.176 nan 8.280 nan 0.000 0.495 311 L N 0.007 121.178 121.223 -0.085 0.000 2.079 311 L HA -0.139 4.201 4.340 0.000 0.000 0.210 311 L C 1.893 178.412 176.870 -0.585 0.000 1.081 311 L CA 1.614 56.340 54.840 -0.190 0.000 0.752 311 L CB -0.525 41.551 42.059 0.028 0.000 0.896 311 L HN 0.051 nan 8.230 nan 0.000 0.433 312 S N -1.178 114.118 115.700 -0.674 0.000 2.595 312 S HA -0.098 4.372 4.470 0.000 0.000 0.235 312 S C 1.669 175.932 174.600 -0.561 0.000 0.974 312 S CA 1.025 58.623 58.200 -1.003 0.000 0.942 312 S CB -0.726 62.188 63.200 -0.476 0.000 0.766 312 S HN 0.805 nan 8.310 nan 0.000 0.536 313 T N -0.662 113.670 114.554 -0.371 0.000 3.113 313 T HA 0.205 4.555 4.350 0.000 0.000 0.256 313 T C 0.498 175.113 174.700 -0.142 0.000 1.131 313 T CA -0.074 61.897 62.100 -0.215 0.000 1.074 313 T CB -0.276 68.478 68.868 -0.190 0.000 0.944 313 T HN -0.007 nan 8.240 nan 0.000 0.516 314 L N 2.938 124.106 121.223 -0.092 0.000 2.452 314 L HA 0.303 4.643 4.340 0.000 0.000 0.267 314 L C 1.882 178.956 176.870 0.340 0.000 1.188 314 L CA 0.321 55.194 54.840 0.055 0.000 0.821 314 L CB 0.877 42.822 42.059 -0.190 0.000 1.102 314 L HN 0.344 nan 8.230 nan 0.000 0.470 315 S N 0.209 116.097 115.700 0.313 0.000 2.489 315 S HA -0.079 4.391 4.470 0.000 0.000 0.228 315 S C 1.316 176.049 174.600 0.222 0.000 0.995 315 S CA 0.788 59.110 58.200 0.203 0.000 0.934 315 S CB -0.369 62.898 63.200 0.112 0.000 0.771 315 S HN 0.702 nan 8.310 nan 0.000 0.522 316 N N 0.410 119.265 118.700 0.259 0.000 2.383 316 N HA 0.199 4.939 4.740 0.000 0.000 0.192 316 N C -0.914 174.553 175.510 -0.072 0.000 1.141 316 N CA -0.239 52.727 53.050 -0.140 0.000 0.851 316 N CB -0.511 37.534 38.487 -0.737 0.000 0.976 316 N HN 0.384 nan 8.380 nan 0.000 0.465 317 F N 0.533 120.580 119.950 0.161 0.000 2.605 317 F HA 0.277 4.804 4.527 -0.000 0.000 0.352 317 F C 1.358 177.230 175.800 0.119 0.000 1.236 317 F CA -0.200 57.895 58.000 0.159 0.000 1.267 317 F CB 0.365 39.463 39.000 0.163 0.000 1.632 317 F HN -0.090 nan 8.300 nan 0.000 0.639 318 R N 1.086 121.699 120.500 0.189 0.000 2.362 318 R HA 0.328 4.668 4.340 0.000 0.000 0.227 318 R C -0.181 176.204 176.300 0.142 0.000 0.905 318 R CA 0.122 56.303 56.100 0.135 0.000 1.067 318 R CB 0.479 30.824 30.300 0.076 0.000 1.078 318 R HN 0.399 nan 8.270 nan 0.000 0.516 319 L N 0.948 122.298 121.223 0.212 0.000 2.354 319 L HA 0.499 4.839 4.340 0.000 0.000 0.269 319 L C -2.437 174.509 176.870 0.127 0.000 1.005 319 L CA -2.627 52.317 54.840 0.174 0.000 0.819 319 L CB 2.271 44.534 42.059 0.340 0.000 1.311 319 L HN -0.239 nan 8.230 nan 0.000 0.423 320 P HA 0.097 nan 4.420 nan 0.000 0.268 320 P C -0.283 176.913 177.300 -0.172 0.000 1.205 320 P CA -0.158 62.893 63.100 -0.081 0.000 0.771 320 P CB 0.639 32.263 31.700 -0.125 0.000 0.858 321 G N 1.237 110.038 108.800 0.001 0.000 2.448 321 G HA2 0.140 4.100 3.960 0.000 0.000 0.285 321 G HA3 0.140 4.100 3.960 0.000 0.000 0.285 321 G C -0.124 174.757 174.900 -0.033 0.000 1.176 321 G CA -0.454 44.698 45.100 0.085 0.000 0.852 321 G HN 0.345 nan 8.290 nan 0.000 0.530 322 D N 0.811 121.232 120.400 0.036 0.000 2.826 322 D HA 0.075 4.715 4.640 0.000 0.000 0.247 322 D C 0.729 177.051 176.300 0.037 0.000 1.238 322 D CA 0.579 54.574 54.000 -0.009 0.000 0.894 322 D CB 0.197 41.051 40.800 0.090 0.000 1.100 322 D HN 0.152 nan 8.370 nan 0.000 0.453 323 T N -0.129 114.449 114.554 0.040 0.000 3.327 323 T HA 0.116 4.466 4.350 0.000 0.000 0.244 323 T C 0.851 175.615 174.700 0.107 0.000 1.074 323 T CA -0.414 61.732 62.100 0.077 0.000 1.156 323 T CB 0.133 69.043 68.868 0.070 0.000 1.087 323 T HN 0.161 nan 8.240 nan 0.000 0.575 324 S N 0.335 116.106 115.700 0.119 0.000 2.546 324 S HA 0.455 4.925 4.470 0.000 0.000 0.265 324 S C 0.553 175.281 174.600 0.213 0.000 1.190 324 S CA -0.781 57.514 58.200 0.159 0.000 1.014 324 S CB 0.205 63.408 63.200 0.004 0.000 1.087 324 S HN 0.258 nan 8.310 nan 0.000 0.525 325 S N 0.823 116.627 115.700 0.174 0.000 2.531 325 S HA 0.457 4.927 4.470 0.000 0.000 0.279 325 S C 1.522 176.228 174.600 0.176 0.000 1.305 325 S CA -0.219 58.067 58.200 0.143 0.000 1.058 325 S CB 0.794 64.051 63.200 0.095 0.000 0.899 325 S HN 0.869 nan 8.310 nan 0.000 0.493 326 A N 3.559 126.518 122.820 0.231 0.000 1.884 326 A HA -0.181 4.139 4.320 0.000 0.000 0.219 326 A C 2.312 180.040 177.584 0.239 0.000 1.197 326 A CA 2.297 54.538 52.037 0.341 0.000 0.637 326 A CB -1.298 17.883 19.000 0.301 0.000 0.827 326 A HN 0.982 nan 8.150 nan 0.000 0.450 327 S N -0.683 115.088 115.700 0.119 0.000 2.595 327 S HA -0.086 4.384 4.470 0.000 0.000 0.235 327 S C 1.692 176.246 174.600 -0.078 0.000 0.974 327 S CA 0.979 59.207 58.200 0.046 0.000 0.942 327 S CB -0.451 62.766 63.200 0.028 0.000 0.766 327 S HN 0.610 nan 8.310 nan 0.000 0.536 328 R N -0.747 119.626 120.500 -0.212 0.000 2.153 328 R HA 0.079 4.419 4.340 0.000 0.000 0.218 328 R C 1.117 177.044 176.300 -0.621 0.000 1.072 328 R CA 1.416 57.240 56.100 -0.460 0.000 0.990 328 R CB -0.184 29.676 30.300 -0.733 0.000 0.889 328 R HN 0.638 nan 8.270 nan 0.000 0.452 329 Y N -2.484 117.562 120.300 -0.424 0.000 2.581 329 Y HA 0.146 4.696 4.550 0.000 0.000 0.271 329 Y C 0.173 175.567 175.900 -0.845 0.000 1.100 329 Y CA -0.506 57.076 58.100 -0.863 0.000 1.281 329 Y CB 0.521 38.089 38.460 -1.485 0.000 1.237 329 Y HN -0.055 nan 8.280 nan 0.000 0.514 330 W N 0.545 121.941 121.300 0.159 0.000 2.883 330 W HA 0.447 5.107 4.660 -0.000 0.000 0.335 330 W C 0.525 177.069 176.519 0.042 0.000 1.083 330 W CA -0.805 56.600 57.345 0.099 0.000 1.233 330 W CB 1.111 30.638 29.460 0.111 0.000 1.412 330 W HN -0.189 nan 8.180 nan 0.000 0.490 331 E N 0.992 121.341 120.200 0.249 0.000 2.106 331 E HA -0.120 4.230 4.350 0.000 0.000 0.192 331 E C 0.601 177.240 176.600 0.066 0.000 0.984 331 E CA 0.908 57.379 56.400 0.118 0.000 0.806 331 E CB 0.284 30.034 29.700 0.084 0.000 0.750 331 E HN 0.232 nan 8.360 nan 0.000 0.458 332 R N 0.898 121.440 120.500 0.071 0.000 2.515 332 R HA 0.114 4.454 4.340 0.000 0.000 0.291 332 R C -1.600 174.655 176.300 -0.076 0.000 1.046 332 R CA -0.460 55.538 56.100 -0.170 0.000 0.914 332 R CB 1.311 31.232 30.300 -0.631 0.000 1.191 332 R HN -0.139 nan 8.270 nan 0.000 0.435 333 D N 2.812 123.181 120.400 -0.051 0.000 2.387 333 D HA 0.131 4.771 4.640 0.000 0.000 0.251 333 D C 0.903 177.213 176.300 0.016 0.000 1.141 333 D CA -0.383 53.593 54.000 -0.040 0.000 0.987 333 D CB 1.223 42.056 40.800 0.055 0.000 1.116 333 D HN 0.582 nan 8.370 nan 0.000 0.491 334 L N 1.153 122.391 121.223 0.025 0.000 2.599 334 L HA 0.146 4.486 4.340 0.000 0.000 0.230 334 L C 0.649 177.574 176.870 0.092 0.000 1.141 334 L CA 0.176 55.092 54.840 0.128 0.000 0.877 334 L CB -0.662 41.402 42.059 0.009 0.000 1.009 334 L HN 0.325 nan 8.230 nan 0.000 0.447 335 I N -5.317 115.284 120.570 0.053 0.000 2.957 335 I HA 0.257 4.427 4.170 0.000 0.000 0.310 335 I C 0.701 176.837 176.117 0.032 0.000 1.063 335 I CA -0.872 60.455 61.300 0.045 0.000 1.033 335 I CB 1.402 39.426 38.000 0.040 0.000 1.230 335 I HN -0.087 nan 8.210 nan 0.000 0.447 336 Q N 1.139 120.956 119.800 0.028 0.000 2.137 336 Q HA 0.020 4.360 4.340 0.000 0.000 0.198 336 Q C -0.267 175.741 176.000 0.013 0.000 0.960 336 Q CA 0.963 56.775 55.803 0.016 0.000 0.847 336 Q CB -0.246 28.503 28.738 0.018 0.000 0.915 336 Q HN 0.655 nan 8.270 nan 0.000 0.448 337 E N 2.715 122.928 120.200 0.021 0.000 2.373 337 E HA 0.099 4.449 4.350 0.000 0.000 0.267 337 E C -2.295 174.324 176.600 0.031 0.000 1.032 337 E CA -1.665 54.748 56.400 0.022 0.000 0.889 337 E CB 0.212 29.927 29.700 0.025 0.000 0.984 337 E HN 0.089 nan 8.360 nan 0.000 0.425 338 P HA 0.131 nan 4.420 nan 0.000 0.280 338 P C -0.828 176.499 177.300 0.046 0.000 1.244 338 P CA -0.145 62.977 63.100 0.038 0.000 0.784 338 P CB 0.641 32.355 31.700 0.023 0.000 0.913 339 L N 3.440 124.705 121.223 0.069 0.000 2.387 339 L HA 0.361 4.701 4.340 0.000 0.000 0.259 339 L C 0.349 177.265 176.870 0.076 0.000 1.050 339 L CA -0.269 54.614 54.840 0.071 0.000 0.922 339 L CB 0.707 42.824 42.059 0.096 0.000 1.280 339 L HN 0.219 nan 8.230 nan 0.000 0.449 340 E N 2.150 122.379 120.200 0.048 0.000 2.199 340 E HA 0.634 4.984 4.350 0.000 0.000 0.269 340 E C -0.620 175.995 176.600 0.025 0.000 0.899 340 E CA -0.579 55.846 56.400 0.042 0.000 0.772 340 E CB 2.982 32.695 29.700 0.023 0.000 1.155 340 E HN 0.437 nan 8.360 nan 0.000 0.408 341 A N 2.155 124.993 122.820 0.031 0.000 2.301 341 A HA 0.555 4.875 4.320 0.000 0.000 0.312 341 A C -0.409 177.133 177.584 -0.070 0.000 1.182 341 A CA -0.591 51.447 52.037 0.000 0.000 0.826 341 A CB 0.856 19.892 19.000 0.059 0.000 1.134 341 A HN 0.326 nan 8.150 nan 0.000 0.501 342 V N 2.511 122.376 119.914 -0.082 0.000 2.448 342 V HA 0.374 4.494 4.120 0.000 0.000 0.295 342 V C 0.208 176.221 176.094 -0.135 0.000 1.025 342 V CA 0.547 62.779 62.300 -0.114 0.000 0.859 342 V CB 1.167 32.945 31.823 -0.074 0.000 0.988 342 V HN 1.195 nan 8.190 nan 0.000 0.431 343 D N 4.394 124.678 120.400 -0.193 0.000 2.837 343 D HA -0.173 4.467 4.640 0.000 0.000 0.230 343 D C 1.099 177.308 176.300 -0.152 0.000 1.152 343 D CA 1.955 55.854 54.000 -0.168 0.000 0.736 343 D CB -1.082 39.659 40.800 -0.098 0.000 1.084 343 D HN 1.543 nan 8.370 nan 0.000 0.429 344 G N -1.447 107.224 108.800 -0.214 0.000 2.162 344 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 344 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 344 G C 0.212 175.102 174.900 -0.017 0.000 0.976 344 G CA 0.356 45.409 45.100 -0.079 0.000 0.655 344 G HN 0.627 nan 8.290 nan 0.000 0.533 345 L N -0.056 121.143 121.223 -0.040 0.000 2.325 345 L HA 0.712 5.052 4.340 0.000 0.000 0.281 345 L C 0.156 177.017 176.870 -0.015 0.000 1.004 345 L CA -1.063 53.765 54.840 -0.020 0.000 0.823 345 L CB 1.763 43.806 42.059 -0.028 0.000 1.236 345 L HN 0.139 nan 8.230 nan 0.000 0.415 346 M N 7.207 126.805 119.600 -0.003 0.000 2.080 346 M HA 0.471 4.951 4.480 0.000 0.000 0.350 346 M C -2.490 173.790 176.300 -0.033 0.000 1.173 346 M CA -2.304 52.993 55.300 -0.005 0.000 1.052 346 M CB 0.930 33.537 32.600 0.012 0.000 1.577 346 M HN 0.105 nan 8.290 nan 0.000 0.455 347 P HA 0.160 nan 4.420 nan 0.000 0.278 347 P C -0.953 176.298 177.300 -0.082 0.000 1.238 347 P CA -0.413 62.656 63.100 -0.051 0.000 0.794 347 P CB 0.553 32.231 31.700 -0.036 0.000 0.955 348 V N 5.084 124.925 119.914 -0.122 0.000 2.446 348 V HA 0.090 4.210 4.120 0.000 0.000 0.276 348 V C -1.527 174.483 176.094 -0.140 0.000 1.030 348 V CA -1.050 61.124 62.300 -0.209 0.000 1.033 348 V CB -0.292 31.367 31.823 -0.273 0.000 0.993 348 V HN 0.596 nan 8.190 nan 0.000 0.477 349 P HA 0.130 nan 4.420 nan 0.000 0.267 349 P C -0.393 176.920 177.300 0.021 0.000 1.209 349 P CA -0.085 63.005 63.100 -0.017 0.000 0.763 349 P CB 0.600 32.319 31.700 0.030 0.000 0.816 350 Q N 1.215 121.023 119.800 0.013 0.000 2.368 350 Q HA 0.547 4.887 4.340 0.000 0.000 0.237 350 Q C 0.756 176.771 176.000 0.025 0.000 0.987 350 Q CA 0.213 56.027 55.803 0.019 0.000 0.896 350 Q CB 0.655 29.394 28.738 0.002 0.000 1.241 350 Q HN 0.819 nan 8.270 nan 0.000 0.485 351 G N 0.771 109.580 108.800 0.015 0.000 2.462 351 G HA2 -0.092 3.868 3.960 0.000 0.000 0.685 351 G HA3 -0.092 3.868 3.960 0.000 0.000 0.685 351 G C -3.006 171.880 174.900 -0.023 0.000 1.295 351 G CA -1.172 43.925 45.100 -0.005 0.000 0.941 351 G HN 0.480 nan 8.290 nan 0.000 0.554 352 P HA 0.526 nan 4.420 nan 0.000 0.276 352 P C 1.300 178.517 177.300 -0.138 0.000 1.244 352 P CA 1.429 64.475 63.100 -0.091 0.000 0.801 352 P CB 0.892 32.538 31.700 -0.090 0.000 1.006 353 G N 1.494 110.179 108.800 -0.192 0.000 2.634 353 G HA2 -0.367 3.593 3.960 0.000 0.000 0.309 353 G HA3 -0.367 3.593 3.960 0.000 0.000 0.309 353 G C 1.131 175.742 174.900 -0.481 0.000 1.265 353 G CA 1.441 46.378 45.100 -0.272 0.000 0.998 353 G HN 0.739 nan 8.290 nan 0.000 0.551 354 T N -0.946 113.339 114.554 -0.449 0.000 3.035 354 T HA 0.343 4.693 4.350 0.000 0.000 0.268 354 T C 2.670 177.297 174.700 -0.122 0.000 1.109 354 T CA 1.832 63.634 62.100 -0.497 0.000 1.119 354 T CB -0.312 68.323 68.868 -0.389 0.000 0.900 354 T HN 2.780 nan 8.240 nan 0.000 0.503 355 G N 0.659 109.413 108.800 -0.078 0.000 2.162 355 G HA2 -0.208 3.752 3.960 0.000 0.000 0.260 355 G HA3 -0.208 3.752 3.960 0.000 0.000 0.260 355 G C 0.176 175.088 174.900 0.020 0.000 0.976 355 G CA 0.468 45.581 45.100 0.022 0.000 0.655 355 G HN 1.589 nan 8.290 nan 0.000 0.533 356 V N -3.448 116.467 119.914 0.001 0.000 3.074 356 V HA 1.006 5.126 4.120 0.000 0.000 0.314 356 V C -0.138 175.961 176.094 0.008 0.000 1.117 356 V CA -0.247 62.061 62.300 0.015 0.000 1.014 356 V CB 2.131 33.972 31.823 0.031 0.000 1.057 356 V HN 0.638 nan 8.190 nan 0.000 0.438 357 T N 2.802 117.367 114.554 0.018 0.000 2.921 357 T HA 0.549 4.899 4.350 0.000 0.000 0.297 357 T C -0.453 174.265 174.700 0.030 0.000 1.013 357 T CA -0.474 61.637 62.100 0.020 0.000 0.990 357 T CB 1.424 70.303 68.868 0.018 0.000 1.023 357 T HN 0.763 nan 8.240 nan 0.000 0.447 358 L N 2.652 123.895 121.223 0.033 0.000 2.490 358 L HA 0.135 4.475 4.340 0.000 0.000 0.274 358 L C 0.666 177.568 176.870 0.053 0.000 1.201 358 L CA -0.129 54.737 54.840 0.042 0.000 0.869 358 L CB 0.345 42.425 42.059 0.036 0.000 1.123 358 L HN 0.697 nan 8.230 nan 0.000 0.484 359 D N 3.846 124.292 120.400 0.076 0.000 2.453 359 D HA 0.028 4.668 4.640 0.000 0.000 0.223 359 D C 1.128 177.492 176.300 0.105 0.000 1.183 359 D CA -0.289 53.771 54.000 0.100 0.000 0.933 359 D CB 0.632 41.517 40.800 0.142 0.000 1.038 359 D HN 0.313 nan 8.370 nan 0.000 0.513 360 R N 2.725 123.266 120.500 0.069 0.000 2.083 360 R HA -0.142 4.198 4.340 0.000 0.000 0.237 360 R C 1.546 177.872 176.300 0.043 0.000 1.137 360 R CA 1.157 57.285 56.100 0.046 0.000 0.951 360 R CB -0.368 29.954 30.300 0.038 0.000 0.851 360 R HN 0.434 nan 8.270 nan 0.000 0.434 361 E N 0.143 120.383 120.200 0.066 0.000 2.038 361 E HA -0.164 4.186 4.350 0.000 0.000 0.195 361 E C 1.763 178.414 176.600 0.085 0.000 1.000 361 E CA 1.261 57.701 56.400 0.067 0.000 0.803 361 E CB -0.641 29.106 29.700 0.079 0.000 0.750 361 E HN 0.338 nan 8.360 nan 0.000 0.448 362 F N 0.617 120.566 119.950 -0.001 0.000 2.171 362 F HA -0.179 4.348 4.527 0.000 0.000 0.300 362 F C 2.012 177.804 175.800 -0.012 0.000 1.090 362 F CA 0.732 58.729 58.000 -0.005 0.000 1.293 362 F CB -0.045 38.952 39.000 -0.006 0.000 1.013 362 F HN 0.086 nan 8.300 nan 0.000 0.486 363 L N 1.146 122.266 121.223 -0.171 0.000 2.042 363 L HA -0.107 4.233 4.340 0.000 0.000 0.210 363 L C 2.462 179.177 176.870 -0.258 0.000 1.076 363 L CA 2.074 56.761 54.840 -0.256 0.000 0.749 363 L CB -1.415 40.595 42.059 -0.081 0.000 0.893 363 L HN 0.164 nan 8.230 nan 0.000 0.432 364 A N -1.036 121.691 122.820 -0.156 0.000 1.940 364 A HA -0.256 4.064 4.320 0.000 0.000 0.219 364 A C 2.353 179.846 177.584 -0.151 0.000 1.176 364 A CA 2.424 54.392 52.037 -0.116 0.000 0.631 364 A CB -1.458 17.508 19.000 -0.057 0.000 0.814 364 A HN 0.656 nan 8.150 nan 0.000 0.446 365 T N -2.075 112.354 114.554 -0.208 0.000 3.007 365 T HA -0.017 4.333 4.350 0.000 0.000 0.270 365 T C 1.115 175.673 174.700 -0.237 0.000 1.107 365 T CA 1.538 63.525 62.100 -0.189 0.000 1.118 365 T CB -0.577 68.209 68.868 -0.136 0.000 0.889 365 T HN 0.895 nan 8.240 nan 0.000 0.506 366 V N -2.314 117.390 119.914 -0.350 0.000 3.276 366 V HA 0.405 4.525 4.120 0.000 0.000 0.319 366 V C 0.380 176.364 176.094 -0.183 0.000 1.427 366 V CA -0.688 61.448 62.300 -0.273 0.000 1.102 366 V CB -0.518 31.076 31.823 -0.381 0.000 1.020 366 V HN 0.191 nan 8.190 nan 0.000 0.456 367 T N 3.029 117.490 114.554 -0.155 0.000 2.794 367 T HA 0.256 4.606 4.350 0.000 0.000 0.296 367 T C 1.100 175.753 174.700 -0.079 0.000 0.949 367 T CA 0.671 62.707 62.100 -0.106 0.000 1.101 367 T CB 1.217 70.032 68.868 -0.088 0.000 0.905 367 T HN 0.848 nan 8.240 nan 0.000 0.516 368 E N 2.324 122.484 120.200 -0.066 0.000 2.460 368 E HA 0.488 4.838 4.350 0.000 0.000 0.200 368 E C 0.362 176.938 176.600 -0.040 0.000 1.011 368 E CA -0.423 55.945 56.400 -0.054 0.000 0.912 368 E CB 0.550 30.217 29.700 -0.055 0.000 0.953 368 E HN 0.510 nan 8.360 nan 0.000 0.494 369 A N 1.306 124.105 122.820 -0.036 0.000 2.605 369 A HA 0.512 4.832 4.320 0.000 0.000 0.294 369 A C -1.803 175.770 177.584 -0.019 0.000 1.062 369 A CA -0.884 51.138 52.037 -0.025 0.000 0.682 369 A CB 1.484 20.474 19.000 -0.017 0.000 1.278 369 A HN 0.240 nan 8.150 nan 0.000 0.410 370 Q N 0.435 120.227 119.800 -0.013 0.000 2.479 370 Q HA 0.661 5.001 4.340 0.000 0.000 0.276 370 Q C -1.418 174.575 176.000 -0.012 0.000 0.989 370 Q CA -0.857 54.943 55.803 -0.005 0.000 0.864 370 Q CB 1.821 30.553 28.738 -0.010 0.000 1.444 370 Q HN 0.851 nan 8.270 nan 0.000 0.388 371 E N 0.918 121.115 120.200 -0.005 0.000 2.408 371 E HA 0.551 4.901 4.350 0.000 0.000 0.275 371 E C -1.389 175.162 176.600 -0.081 0.000 0.935 371 E CA -1.004 55.357 56.400 -0.065 0.000 0.775 371 E CB 2.833 32.502 29.700 -0.051 0.000 1.277 371 E HN 0.624 nan 8.360 nan 0.000 0.455 372 E N 1.324 121.409 120.200 -0.192 0.000 2.210 372 E HA 0.253 4.603 4.350 0.000 0.000 0.266 372 E C -1.219 175.185 176.600 -0.326 0.000 0.883 372 E CA -0.716 55.600 56.400 -0.140 0.000 0.761 372 E CB 1.189 30.854 29.700 -0.059 0.000 1.156 372 E HN 0.480 nan 8.360 nan 0.000 0.412 373 H N 3.648 122.746 119.070 0.047 0.000 2.469 373 H HA 0.493 5.049 4.556 -0.000 0.000 0.342 373 H C -0.132 175.228 175.328 0.053 0.000 1.115 373 H CA -0.608 55.466 56.048 0.044 0.000 1.204 373 H CB 1.493 31.282 29.762 0.044 0.000 1.492 373 H HN 0.403 nan 8.280 nan 0.000 0.499 374 R N 0.802 121.380 120.500 0.129 0.000 2.930 374 R HA 0.669 5.009 4.340 0.000 0.000 0.257 374 R C -0.190 176.166 176.300 0.093 0.000 1.107 374 R CA -1.037 55.121 56.100 0.097 0.000 0.999 374 R CB 1.574 31.904 30.300 0.051 0.000 1.209 374 R HN 0.589 nan 8.270 nan 0.000 0.486 375 A N 0.000 122.864 122.820 0.074 0.000 2.254 375 A HA 0.000 4.320 4.320 0.000 0.000 0.244 375 A CA 0.000 52.072 52.037 0.059 0.000 0.836 375 A CB 0.000 19.028 19.000 0.046 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486