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 1x7w_1_A DATA FIRST_RESID 7 DATA SEQUENCE PQFPGASAEF IDKLEFIQPN VISGIPIYRV MDRQGQIINP SEDPHLPKEK DATA SEQUENCE VLKLYKSMTL LNTMDRILYE SQRQGRISFY MTNYGEEGTH VGSAAALDNT DATA SEQUENCE DLVFGQYREA GVLMYRDYPL ELFMAQCYGN ISDLGKGRQM PVHYGCKERH DATA SEQUENCE FVTISSPLAT QIPQAVGAAY AAKRANANRV VICYFGEGAA SEGDAHAGFN DATA SEQUENCE FAATLECPII FFCRNNGYAI STPTSEQYRG DGIAARGPGY GIMSIRVDGN DATA SEQUENCE DVFAVYNATK EARRRAVAEN QPFLIEAMTY RXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXDHPI SRLRHYLLSQ GWWDEEQEKA WRKQSRRKVM EAFEQAERKP DATA SEQUENCE KPNPNLLFSD VYQEMPAQLR KQQESLARHL QTYGEHYPLD HFDK 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.148 177.300 -0.253 0.000 1.155 7 P CA 0.000 62.822 63.100 -0.463 0.000 0.800 7 P CB 0.000 31.360 31.700 -0.566 0.000 0.726 8 Q N 0.737 120.302 119.800 -0.393 0.000 2.182 8 Q HA 0.300 4.640 4.340 0.001 0.000 0.305 8 Q C -0.870 174.879 176.000 -0.420 0.000 0.880 8 Q CA 0.087 55.679 55.803 -0.353 0.000 1.131 8 Q CB 0.466 29.000 28.738 -0.340 0.000 1.237 8 Q HN 0.395 nan 8.270 nan 0.000 0.447 9 F N 1.868 121.788 119.950 -0.051 0.000 2.415 9 F HA 0.304 4.832 4.527 0.001 0.000 0.348 9 F C -1.080 174.696 175.800 -0.041 0.000 1.119 9 F CA -2.177 55.802 58.000 -0.036 0.000 1.069 9 F CB 0.884 39.862 39.000 -0.036 0.000 1.124 9 F HN -0.045 nan 8.300 nan 0.000 0.472 10 P HA -0.057 nan 4.420 nan 0.000 0.222 10 P C 1.581 178.916 177.300 0.058 0.000 1.147 10 P CA 0.966 64.103 63.100 0.062 0.000 0.790 10 P CB 0.095 31.820 31.700 0.042 0.000 0.780 11 G N -0.466 108.384 108.800 0.083 0.000 2.448 11 G HA2 0.209 4.170 3.960 0.001 0.000 0.218 11 G HA3 0.209 4.170 3.960 0.001 0.000 0.218 11 G C 0.541 175.447 174.900 0.010 0.000 1.135 11 G CA 0.722 45.840 45.100 0.030 0.000 0.784 11 G HN 0.622 nan 8.290 nan 0.000 0.543 12 A N -1.090 121.745 122.820 0.025 0.000 2.594 12 A HA 0.675 4.996 4.320 0.001 0.000 0.295 12 A C -0.721 176.863 177.584 -0.000 0.000 1.071 12 A CA -0.256 51.778 52.037 -0.005 0.000 0.685 12 A CB 1.291 20.271 19.000 -0.033 0.000 1.285 12 A HN 0.382 nan 8.150 nan 0.000 0.405 13 S N 0.342 116.028 115.700 -0.023 0.000 2.448 13 S HA 0.761 5.232 4.470 0.001 0.000 0.320 13 S C -0.246 174.322 174.600 -0.052 0.000 1.071 13 S CA 0.427 58.606 58.200 -0.035 0.000 1.113 13 S CB 0.158 63.339 63.200 -0.032 0.000 0.972 13 S HN 2.286 nan 8.310 nan 0.000 0.465 14 A N 4.257 127.031 122.820 -0.078 0.000 2.566 14 A HA 0.697 5.018 4.320 0.001 0.000 0.290 14 A C -1.196 176.291 177.584 -0.162 0.000 1.071 14 A CA -0.841 51.137 52.037 -0.098 0.000 0.658 14 A CB 0.854 19.800 19.000 -0.090 0.000 1.285 14 A HN 0.619 nan 8.150 nan 0.000 0.427 15 E N -0.126 119.991 120.200 -0.138 0.000 2.280 15 E HA 0.571 4.922 4.350 0.001 0.000 0.261 15 E C -0.984 175.501 176.600 -0.192 0.000 1.088 15 E CA -0.245 56.060 56.400 -0.158 0.000 0.915 15 E CB 0.578 30.250 29.700 -0.046 0.000 1.141 15 E HN 0.421 nan 8.360 nan 0.000 0.433 16 F N 0.637 120.600 119.950 0.021 0.000 2.406 16 F HA 0.330 4.858 4.527 0.001 0.000 0.327 16 F C 0.751 176.549 175.800 -0.003 0.000 1.153 16 F CA -0.241 57.769 58.000 0.016 0.000 1.218 16 F CB 0.450 39.463 39.000 0.022 0.000 1.215 16 F HN 0.194 nan 8.300 nan 0.000 0.570 17 I N 1.466 122.168 120.570 0.221 0.000 2.582 17 I HA 0.241 4.412 4.170 0.001 0.000 0.292 17 I C -0.507 175.650 176.117 0.067 0.000 1.066 17 I CA -0.661 60.699 61.300 0.100 0.000 1.053 17 I CB 1.721 39.746 38.000 0.041 0.000 1.241 17 I HN 0.685 nan 8.210 nan 0.000 0.421 18 D N 5.440 125.860 120.400 0.034 0.000 2.342 18 D HA 0.145 4.786 4.640 0.001 0.000 0.221 18 D C -0.436 175.858 176.300 -0.009 0.000 1.101 18 D CA 0.045 54.046 54.000 0.001 0.000 0.837 18 D CB 0.147 40.943 40.800 -0.007 0.000 0.938 18 D HN 0.298 nan 8.370 nan 0.000 0.508 19 K N 0.279 120.673 120.400 -0.010 0.000 2.427 19 K HA 0.390 4.710 4.320 0.001 0.000 0.252 19 K C -1.008 175.569 176.600 -0.037 0.000 0.931 19 K CA -0.934 55.343 56.287 -0.017 0.000 0.793 19 K CB 2.946 35.441 32.500 -0.008 0.000 1.211 19 K HN 0.001 nan 8.250 nan 0.000 0.426 20 L N 2.855 124.052 121.223 -0.045 0.000 2.361 20 L HA 0.193 4.534 4.340 0.001 0.000 0.278 20 L C -0.932 175.891 176.870 -0.078 0.000 1.113 20 L CA 0.506 55.291 54.840 -0.092 0.000 0.849 20 L CB 0.219 42.239 42.059 -0.065 0.000 1.155 20 L HN 0.651 nan 8.230 nan 0.000 0.452 21 E N 5.076 125.187 120.200 -0.149 0.000 2.317 21 E HA 0.239 4.590 4.350 0.001 0.000 0.270 21 E C -1.401 175.108 176.600 -0.153 0.000 0.899 21 E CA -0.534 55.824 56.400 -0.070 0.000 0.814 21 E CB 1.450 31.131 29.700 -0.032 0.000 1.296 21 E HN 0.376 nan 8.360 nan 0.000 0.404 22 F N 2.360 122.307 119.950 -0.004 0.000 2.459 22 F HA 0.168 4.695 4.527 0.001 0.000 0.346 22 F C 0.801 176.596 175.800 -0.009 0.000 1.128 22 F CA -0.391 57.604 58.000 -0.008 0.000 1.268 22 F CB 0.541 39.535 39.000 -0.009 0.000 1.161 22 F HN 0.289 nan 8.300 nan 0.000 0.583 23 I N 2.682 123.347 120.570 0.159 0.000 2.371 23 I HA 0.128 4.298 4.170 0.001 0.000 0.290 23 I C -0.005 176.171 176.117 0.099 0.000 1.028 23 I CA -0.317 61.035 61.300 0.088 0.000 1.345 23 I CB 0.788 38.813 38.000 0.041 0.000 1.407 23 I HN 0.619 nan 8.210 nan 0.000 0.501 24 Q N 7.737 127.577 119.800 0.067 0.000 2.241 24 Q HA 0.504 4.845 4.340 0.001 0.000 0.254 24 Q C -2.335 173.682 176.000 0.028 0.000 0.917 24 Q CA -1.453 54.379 55.803 0.047 0.000 0.919 24 Q CB 1.419 30.182 28.738 0.041 0.000 1.237 24 Q HN 0.396 nan 8.270 nan 0.000 0.434 25 P HA 0.135 nan 4.420 nan 0.000 0.271 25 P C -1.236 176.072 177.300 0.015 0.000 1.216 25 P CA -0.350 62.759 63.100 0.015 0.000 0.776 25 P CB 0.551 32.260 31.700 0.015 0.000 0.881 26 N N 2.183 120.890 118.700 0.011 0.000 2.678 26 N HA 0.119 4.860 4.740 0.001 0.000 0.231 26 N C 0.261 175.780 175.510 0.015 0.000 1.038 26 N CA -0.199 52.859 53.050 0.013 0.000 0.932 26 N CB 0.188 38.681 38.487 0.009 0.000 1.176 26 N HN -0.008 nan 8.380 nan 0.000 0.511 27 V N 3.165 123.092 119.914 0.022 0.000 2.795 27 V HA -0.003 4.118 4.120 0.001 0.000 0.243 27 V C 2.101 178.214 176.094 0.032 0.000 1.069 27 V CA 0.387 62.706 62.300 0.031 0.000 1.089 27 V CB -0.285 31.564 31.823 0.044 0.000 0.756 27 V HN 0.557 nan 8.190 nan 0.000 0.471 28 I N 0.018 120.604 120.570 0.026 0.000 2.226 28 I HA -0.106 4.065 4.170 0.001 0.000 0.245 28 I C 1.388 177.519 176.117 0.024 0.000 1.100 28 I CA 1.557 62.871 61.300 0.025 0.000 1.374 28 I CB -0.689 37.322 38.000 0.020 0.000 1.057 28 I HN 0.267 nan 8.210 nan 0.000 0.413 29 S N 0.876 116.588 115.700 0.020 0.000 2.426 29 S HA 0.588 5.058 4.470 0.001 0.000 0.236 29 S C 0.391 175.001 174.600 0.016 0.000 1.368 29 S CA -0.539 57.672 58.200 0.019 0.000 1.154 29 S CB -0.024 63.186 63.200 0.016 0.000 1.037 29 S HN 0.391 nan 8.310 nan 0.000 0.481 30 G N 2.530 111.340 108.800 0.018 0.000 2.508 30 G HA2 0.471 4.432 3.960 0.001 0.000 0.278 30 G HA3 0.471 4.432 3.960 0.001 0.000 0.278 30 G C -0.026 174.878 174.900 0.007 0.000 1.389 30 G CA -0.837 44.270 45.100 0.012 0.000 1.050 30 G HN 0.678 nan 8.290 nan 0.000 0.522 31 I N 2.690 123.260 120.570 -0.001 0.000 2.683 31 I HA 0.089 4.260 4.170 0.001 0.000 0.286 31 I C -1.370 174.751 176.117 0.006 0.000 1.175 31 I CA -1.057 60.240 61.300 -0.004 0.000 1.429 31 I CB 0.976 38.965 38.000 -0.018 0.000 1.371 31 I HN 0.271 nan 8.210 nan 0.000 0.569 32 P HA 0.212 nan 4.420 nan 0.000 0.274 32 P C -0.654 176.670 177.300 0.040 0.000 1.246 32 P CA -0.148 62.970 63.100 0.029 0.000 0.795 32 P CB 0.906 32.627 31.700 0.036 0.000 1.006 33 I N 1.460 122.059 120.570 0.048 0.000 2.312 33 I HA 0.147 4.318 4.170 0.001 0.000 0.290 33 I C 0.281 176.458 176.117 0.101 0.000 1.008 33 I CA -0.999 60.333 61.300 0.052 0.000 1.226 33 I CB 0.378 38.390 38.000 0.019 0.000 1.371 33 I HN 0.309 nan 8.210 nan 0.000 0.468 34 Y N 8.263 128.553 120.300 -0.018 0.000 2.442 34 Y HA 0.310 4.860 4.550 0.001 0.000 0.330 34 Y C -0.019 175.883 175.900 0.003 0.000 1.129 34 Y CA -0.153 57.944 58.100 -0.006 0.000 1.365 34 Y CB 0.359 38.814 38.460 -0.010 0.000 1.233 34 Y HN 0.528 nan 8.280 nan 0.000 0.529 35 R N 4.588 124.850 120.500 -0.396 0.000 2.673 35 R HA 0.579 4.920 4.340 0.001 0.000 0.281 35 R C -1.285 174.728 176.300 -0.478 0.000 0.991 35 R CA -0.608 55.259 56.100 -0.387 0.000 0.896 35 R CB 1.682 31.895 30.300 -0.144 0.000 1.201 35 R HN 0.671 nan 8.270 nan 0.000 0.457 36 V N 3.360 123.056 119.914 -0.363 0.000 3.013 36 V HA 0.187 4.307 4.120 0.001 0.000 0.238 36 V C 0.587 176.638 176.094 -0.071 0.000 1.161 36 V CA 0.679 62.853 62.300 -0.210 0.000 1.170 36 V CB 0.355 32.092 31.823 -0.143 0.000 0.917 36 V HN 0.752 nan 8.190 nan 0.000 0.478 37 M N 0.757 120.342 119.600 -0.025 0.000 2.464 37 M HA 0.661 5.141 4.480 0.001 0.000 0.308 37 M C -0.962 175.351 176.300 0.023 0.000 1.127 37 M CA -0.873 54.447 55.300 0.032 0.000 0.913 37 M CB 2.027 34.695 32.600 0.114 0.000 1.689 37 M HN 0.192 nan 8.290 nan 0.000 0.445 38 D N 2.016 122.437 120.400 0.035 0.000 2.414 38 D HA 0.196 4.837 4.640 0.001 0.000 0.259 38 D C 0.533 176.863 176.300 0.051 0.000 1.269 38 D CA -0.259 53.760 54.000 0.031 0.000 1.028 38 D CB 0.633 41.445 40.800 0.021 0.000 1.093 38 D HN 0.770 nan 8.370 nan 0.000 0.545 39 R N -1.467 119.060 120.500 0.045 0.000 2.189 39 R HA -0.088 4.253 4.340 0.001 0.000 0.223 39 R C 1.286 177.607 176.300 0.035 0.000 1.092 39 R CA 1.041 57.179 56.100 0.064 0.000 0.989 39 R CB -0.122 30.212 30.300 0.057 0.000 0.876 39 R HN 0.448 nan 8.270 nan 0.000 0.457 40 Q N -0.931 118.856 119.800 -0.022 0.000 2.280 40 Q HA 0.183 4.524 4.340 0.001 0.000 0.202 40 Q C 0.637 176.645 176.000 0.015 0.000 0.903 40 Q CA 0.549 56.278 55.803 -0.124 0.000 0.948 40 Q CB 1.077 29.745 28.738 -0.116 0.000 1.058 40 Q HN 0.423 nan 8.270 nan 0.000 0.493 41 G N 0.138 109.015 108.800 0.130 0.000 2.160 41 G HA2 -0.259 3.702 3.960 0.001 0.000 0.251 41 G HA3 -0.259 3.702 3.960 0.001 0.000 0.251 41 G C -0.253 174.782 174.900 0.225 0.000 1.008 41 G CA -0.118 45.119 45.100 0.228 0.000 0.724 41 G HN 0.195 nan 8.290 nan 0.000 0.514 42 Q N -0.078 119.797 119.800 0.124 0.000 2.241 42 Q HA 0.475 4.815 4.340 0.001 0.000 0.254 42 Q C 0.831 176.885 176.000 0.090 0.000 0.917 42 Q CA -0.829 55.032 55.803 0.097 0.000 0.919 42 Q CB 1.398 30.158 28.738 0.038 0.000 1.237 42 Q HN 0.303 nan 8.270 nan 0.000 0.434 43 I N 3.572 124.192 120.570 0.084 0.000 2.598 43 I HA -0.052 4.118 4.170 0.001 0.000 0.284 43 I C 1.562 177.683 176.117 0.007 0.000 1.140 43 I CA 0.385 61.698 61.300 0.022 0.000 1.420 43 I CB 0.150 38.138 38.000 -0.021 0.000 1.387 43 I HN 0.666 nan 8.210 nan 0.000 0.553 44 I N 4.914 125.482 120.570 -0.004 0.000 2.584 44 I HA -0.080 4.091 4.170 0.001 0.000 0.255 44 I C 0.707 176.828 176.117 0.006 0.000 1.145 44 I CA 0.790 62.091 61.300 0.001 0.000 1.462 44 I CB 0.002 37.999 38.000 -0.004 0.000 1.102 44 I HN 0.579 nan 8.210 nan 0.000 0.433 45 N N 0.139 118.841 118.700 0.002 0.000 2.607 45 N HA 0.214 4.955 4.740 0.001 0.000 0.271 45 N C -2.168 173.349 175.510 0.010 0.000 1.142 45 N CA -1.870 51.191 53.050 0.017 0.000 0.810 45 N CB 1.458 39.968 38.487 0.038 0.000 1.306 45 N HN -0.258 nan 8.380 nan 0.000 0.536 46 P HA -0.159 nan 4.420 nan 0.000 0.217 46 P C 1.122 178.448 177.300 0.044 0.000 1.148 46 P CA 1.329 64.446 63.100 0.028 0.000 0.828 46 P CB 0.234 31.966 31.700 0.053 0.000 0.783 47 S N -1.167 114.560 115.700 0.045 0.000 2.474 47 S HA -0.108 4.363 4.470 0.001 0.000 0.235 47 S C 1.544 176.174 174.600 0.050 0.000 0.997 47 S CA 0.890 59.122 58.200 0.053 0.000 0.949 47 S CB -0.739 62.488 63.200 0.045 0.000 0.766 47 S HN 0.155 nan 8.310 nan 0.000 0.517 48 E N 1.122 121.345 120.200 0.039 0.000 2.472 48 E HA 0.146 4.496 4.350 0.001 0.000 0.196 48 E C -0.254 176.329 176.600 -0.028 0.000 1.033 48 E CA -0.029 56.406 56.400 0.059 0.000 0.886 48 E CB -0.135 29.644 29.700 0.131 0.000 0.944 48 E HN 0.530 nan 8.360 nan 0.000 0.492 49 D N 2.410 122.727 120.400 -0.138 0.000 2.401 49 D HA -0.004 4.636 4.640 0.001 0.000 0.254 49 D C -1.428 174.669 176.300 -0.339 0.000 1.192 49 D CA -1.717 52.045 54.000 -0.396 0.000 0.885 49 D CB 1.409 41.798 40.800 -0.684 0.000 1.147 49 D HN -0.084 nan 8.370 nan 0.000 0.478 50 P HA -0.069 nan 4.420 nan 0.000 0.233 50 P C -0.226 177.029 177.300 -0.075 0.000 1.167 50 P CA 0.209 63.244 63.100 -0.109 0.000 0.770 50 P CB 0.005 31.676 31.700 -0.048 0.000 0.837 51 H N -0.671 118.297 119.070 -0.170 0.000 2.527 51 H HA -0.133 4.424 4.556 0.001 0.000 0.321 51 H C 0.208 175.524 175.328 -0.020 0.000 1.092 51 H CA 0.184 56.187 56.048 -0.076 0.000 1.118 51 H CB -2.133 27.622 29.762 -0.011 0.000 1.536 51 H HN 0.292 nan 8.280 nan 0.000 0.407 52 L N 1.899 123.109 121.223 -0.022 0.000 2.485 52 L HA 0.093 4.433 4.340 0.001 0.000 0.275 52 L C -1.057 175.910 176.870 0.162 0.000 1.207 52 L CA -1.443 53.412 54.840 0.024 0.000 0.855 52 L CB 0.150 42.173 42.059 -0.059 0.000 1.114 52 L HN 0.107 nan 8.230 nan 0.000 0.485 53 P HA 0.044 nan 4.420 nan 0.000 0.274 53 P C 0.105 177.342 177.300 -0.105 0.000 1.237 53 P CA -0.544 62.581 63.100 0.043 0.000 0.793 53 P CB 0.874 32.574 31.700 -0.001 0.000 0.977 54 K N 1.200 121.322 120.400 -0.464 0.000 2.044 54 K HA -0.205 4.116 4.320 0.001 0.000 0.210 54 K C 1.522 177.848 176.600 -0.457 0.000 1.049 54 K CA 1.574 57.236 56.287 -1.042 0.000 0.927 54 K CB -0.075 31.554 32.500 -1.452 0.000 0.713 54 K HN 0.293 nan 8.250 nan 0.000 0.443 55 E N 0.928 120.960 120.200 -0.279 0.000 2.085 55 E HA -0.227 4.124 4.350 0.001 0.000 0.194 55 E C 1.918 178.468 176.600 -0.084 0.000 0.994 55 E CA 1.352 57.657 56.400 -0.158 0.000 0.801 55 E CB -0.181 29.456 29.700 -0.105 0.000 0.743 55 E HN 0.396 nan 8.360 nan 0.000 0.453 56 K N 0.831 121.208 120.400 -0.039 0.000 2.103 56 K HA -0.048 4.272 4.320 0.001 0.000 0.204 56 K C 2.105 178.745 176.600 0.065 0.000 1.052 56 K CA 0.709 57.020 56.287 0.040 0.000 0.945 56 K CB 0.155 32.690 32.500 0.057 0.000 0.722 56 K HN -0.078 nan 8.250 nan 0.000 0.443 57 V N 1.602 121.561 119.914 0.075 0.000 2.358 57 V HA -0.224 3.897 4.120 0.001 0.000 0.246 57 V C 2.235 178.377 176.094 0.079 0.000 1.047 57 V CA 1.469 63.869 62.300 0.165 0.000 1.035 57 V CB -0.376 31.711 31.823 0.440 0.000 0.658 57 V HN 0.321 nan 8.190 nan 0.000 0.452 58 L N -0.019 121.194 121.223 -0.017 0.000 2.079 58 L HA -0.232 4.109 4.340 0.001 0.000 0.210 58 L C 2.600 179.404 176.870 -0.110 0.000 1.081 58 L CA 1.986 56.753 54.840 -0.122 0.000 0.752 58 L CB -0.592 41.370 42.059 -0.162 0.000 0.896 58 L HN 0.341 nan 8.230 nan 0.000 0.433 59 K N 0.631 121.003 120.400 -0.046 0.000 2.097 59 K HA -0.160 4.161 4.320 0.001 0.000 0.205 59 K C 2.135 178.784 176.600 0.082 0.000 1.050 59 K CA 1.063 57.341 56.287 -0.015 0.000 0.938 59 K CB -0.015 32.492 32.500 0.011 0.000 0.718 59 K HN 0.235 nan 8.250 nan 0.000 0.442 60 L N -0.055 121.245 121.223 0.128 0.000 2.012 60 L HA -0.222 4.118 4.340 0.001 0.000 0.210 60 L C 2.546 179.448 176.870 0.053 0.000 1.073 60 L CA 1.542 56.450 54.840 0.115 0.000 0.748 60 L CB -0.764 41.313 42.059 0.030 0.000 0.891 60 L HN 0.251 nan 8.230 nan 0.000 0.431 61 Y N 1.149 121.372 120.300 -0.128 0.000 2.145 61 Y HA -0.239 4.311 4.550 0.001 0.000 0.286 61 Y C 2.604 178.408 175.900 -0.160 0.000 1.145 61 Y CA 1.587 59.567 58.100 -0.199 0.000 1.148 61 Y CB -0.128 38.094 38.460 -0.396 0.000 0.981 61 Y HN -0.005 nan 8.280 nan 0.000 0.507 62 K N -0.647 119.606 120.400 -0.245 0.000 2.148 62 K HA -0.115 4.205 4.320 0.001 0.000 0.204 62 K C 2.241 178.886 176.600 0.076 0.000 1.050 62 K CA 1.373 57.510 56.287 -0.249 0.000 0.942 62 K CB -0.179 31.950 32.500 -0.618 0.000 0.724 62 K HN 0.197 nan 8.250 nan 0.000 0.446 63 S N 1.269 116.997 115.700 0.047 0.000 2.368 63 S HA -0.105 4.366 4.470 0.001 0.000 0.224 63 S C 1.934 176.579 174.600 0.075 0.000 1.029 63 S CA 1.331 59.600 58.200 0.115 0.000 0.988 63 S CB -0.106 63.206 63.200 0.186 0.000 0.838 63 S HN 0.236 nan 8.310 nan 0.000 0.462 64 M N 1.243 120.847 119.600 0.007 0.000 2.132 64 M HA -0.096 4.384 4.480 0.001 0.000 0.263 64 M C 2.541 178.823 176.300 -0.030 0.000 1.065 64 M CA 1.665 56.957 55.300 -0.013 0.000 1.122 64 M CB -0.990 31.585 32.600 -0.041 0.000 1.365 64 M HN 0.475 nan 8.290 nan 0.000 0.411 65 T N -0.696 113.796 114.554 -0.103 0.000 2.857 65 T HA -0.075 4.275 4.350 0.001 0.000 0.266 65 T C 1.697 176.419 174.700 0.037 0.000 1.048 65 T CA 0.754 62.824 62.100 -0.049 0.000 1.139 65 T CB -0.510 68.324 68.868 -0.056 0.000 0.874 65 T HN 0.211 nan 8.240 nan 0.000 0.455 66 L N 0.701 122.001 121.223 0.129 0.000 2.046 66 L HA 0.197 4.537 4.340 0.001 0.000 0.208 66 L C 2.284 179.148 176.870 -0.009 0.000 1.077 66 L CA 1.282 56.157 54.840 0.058 0.000 0.747 66 L CB -1.105 41.059 42.059 0.175 0.000 0.896 66 L HN 0.282 nan 8.230 nan 0.000 0.432 67 L N -0.033 121.189 121.223 -0.001 0.000 2.046 67 L HA -0.241 4.100 4.340 0.001 0.000 0.208 67 L C 2.361 179.223 176.870 -0.013 0.000 1.077 67 L CA 1.966 56.773 54.840 -0.056 0.000 0.747 67 L CB -1.108 40.927 42.059 -0.040 0.000 0.896 67 L HN 0.507 nan 8.230 nan 0.000 0.432 68 N N -1.278 117.446 118.700 0.041 0.000 2.120 68 N HA -0.188 4.553 4.740 0.001 0.000 0.188 68 N C 1.589 177.142 175.510 0.071 0.000 1.024 68 N CA 1.941 55.061 53.050 0.117 0.000 0.852 68 N CB -0.001 38.543 38.487 0.096 0.000 1.003 68 N HN 0.441 nan 8.380 nan 0.000 0.424 69 T N 1.486 116.032 114.554 -0.015 0.000 2.684 69 T HA -0.156 4.195 4.350 0.001 0.000 0.267 69 T C 1.947 176.612 174.700 -0.059 0.000 1.036 69 T CA 1.365 63.428 62.100 -0.062 0.000 1.148 69 T CB -0.172 68.617 68.868 -0.132 0.000 0.863 69 T HN 0.299 nan 8.240 nan 0.000 0.436 70 M N 0.903 120.466 119.600 -0.062 0.000 2.117 70 M HA -0.148 4.332 4.480 0.001 0.000 0.262 70 M C 1.765 178.031 176.300 -0.058 0.000 1.065 70 M CA 1.737 56.994 55.300 -0.072 0.000 1.114 70 M CB -0.203 32.326 32.600 -0.118 0.000 1.361 70 M HN 0.032 nan 8.290 nan 0.000 0.408 71 D N 0.300 120.706 120.400 0.010 0.000 2.116 71 D HA -0.191 4.450 4.640 0.001 0.000 0.193 71 D C 2.020 178.355 176.300 0.059 0.000 0.998 71 D CA 1.491 55.533 54.000 0.071 0.000 0.836 71 D CB -0.316 40.483 40.800 -0.002 0.000 0.951 71 D HN 0.414 nan 8.370 nan 0.000 0.449 72 R N -0.085 120.479 120.500 0.108 0.000 2.091 72 R HA -0.072 4.269 4.340 0.001 0.000 0.238 72 R C 2.579 178.876 176.300 -0.006 0.000 1.136 72 R CA 0.851 57.009 56.100 0.097 0.000 0.959 72 R CB -0.282 30.037 30.300 0.032 0.000 0.856 72 R HN 0.265 nan 8.270 nan 0.000 0.437 73 I N 0.468 120.969 120.570 -0.114 0.000 2.233 73 I HA -0.250 3.920 4.170 0.001 0.000 0.243 73 I C 2.150 178.105 176.117 -0.269 0.000 1.093 73 I CA 1.150 62.306 61.300 -0.240 0.000 1.380 73 I CB -0.099 37.715 38.000 -0.311 0.000 1.067 73 I HN 0.136 nan 8.210 nan 0.000 0.413 74 L N -0.778 120.253 121.223 -0.320 0.000 2.156 74 L HA -0.211 4.129 4.340 0.001 0.000 0.208 74 L C 2.603 179.108 176.870 -0.608 0.000 1.095 74 L CA 1.066 55.596 54.840 -0.516 0.000 0.770 74 L CB -0.579 40.918 42.059 -0.937 0.000 0.914 74 L HN 0.273 nan 8.230 nan 0.000 0.439 75 Y N 1.388 121.354 120.300 -0.557 0.000 2.145 75 Y HA -0.333 4.218 4.550 0.001 0.000 0.286 75 Y C 2.590 178.407 175.900 -0.138 0.000 1.145 75 Y CA 2.109 60.069 58.100 -0.234 0.000 1.148 75 Y CB 0.007 38.449 38.460 -0.030 0.000 0.981 75 Y HN 0.169 nan 8.280 nan 0.000 0.507 76 E N -0.230 119.937 120.200 -0.054 0.000 2.110 76 E HA -0.201 4.150 4.350 0.001 0.000 0.193 76 E C 2.450 178.966 176.600 -0.140 0.000 0.988 76 E CA 1.582 57.919 56.400 -0.104 0.000 0.804 76 E CB -0.662 29.005 29.700 -0.056 0.000 0.745 76 E HN 0.365 nan 8.360 nan 0.000 0.458 77 S N -0.659 114.973 115.700 -0.114 0.000 2.370 77 S HA -0.211 4.260 4.470 0.001 0.000 0.226 77 S C 1.921 176.477 174.600 -0.073 0.000 1.033 77 S CA 1.495 59.706 58.200 0.018 0.000 1.011 77 S CB -0.343 63.003 63.200 0.243 0.000 0.852 77 S HN 0.371 nan 8.310 nan 0.000 0.457 78 Q N 0.820 120.510 119.800 -0.183 0.000 2.046 78 Q HA -0.069 4.272 4.340 0.001 0.000 0.200 78 Q C 2.197 178.073 176.000 -0.207 0.000 0.975 78 Q CA 1.154 56.843 55.803 -0.192 0.000 0.836 78 Q CB -0.301 28.303 28.738 -0.223 0.000 0.896 78 Q HN 0.460 nan 8.270 nan 0.000 0.428 79 R N 0.353 120.671 120.500 -0.304 0.000 2.159 79 R HA -0.134 4.206 4.340 0.001 0.000 0.237 79 R C 1.853 178.083 176.300 -0.116 0.000 1.131 79 R CA 1.165 57.123 56.100 -0.236 0.000 0.982 79 R CB -0.224 29.926 30.300 -0.249 0.000 0.868 79 R HN 0.509 nan 8.270 nan 0.000 0.453 80 Q N -0.671 119.078 119.800 -0.084 0.000 2.360 80 Q HA 0.146 4.487 4.340 0.001 0.000 0.202 80 Q C 0.689 176.675 176.000 -0.024 0.000 0.915 80 Q CA 0.377 56.159 55.803 -0.036 0.000 0.943 80 Q CB 0.750 29.485 28.738 -0.004 0.000 1.064 80 Q HN 0.496 nan 8.270 nan 0.000 0.511 81 G N 1.775 110.550 108.800 -0.041 0.000 2.166 81 G HA2 -0.363 3.598 3.960 0.001 0.000 0.260 81 G HA3 -0.363 3.598 3.960 0.001 0.000 0.260 81 G C 0.815 175.699 174.900 -0.027 0.000 0.986 81 G CA 0.711 45.792 45.100 -0.032 0.000 0.683 81 G HN 0.362 nan 8.290 nan 0.000 0.527 82 R N -0.250 120.242 120.500 -0.013 0.000 2.115 82 R HA 0.240 4.581 4.340 0.001 0.000 0.226 82 R C 1.700 177.925 176.300 -0.126 0.000 1.100 82 R CA 1.492 57.600 56.100 0.013 0.000 0.980 82 R CB -0.085 30.298 30.300 0.138 0.000 0.875 82 R HN 0.784 nan 8.270 nan 0.000 0.445 83 I N -3.049 117.405 120.570 -0.194 0.000 2.846 83 I HA 0.309 4.480 4.170 0.001 0.000 0.307 83 I C 0.902 176.953 176.117 -0.110 0.000 1.053 83 I CA -0.826 60.304 61.300 -0.284 0.000 1.050 83 I CB 2.280 40.032 38.000 -0.413 0.000 1.239 83 I HN -0.155 nan 8.210 nan 0.000 0.439 84 S N 2.578 118.245 115.700 -0.055 0.000 2.527 84 S HA 0.228 4.699 4.470 0.001 0.000 0.222 84 S C -0.013 174.676 174.600 0.147 0.000 0.985 84 S CA 0.175 58.388 58.200 0.022 0.000 0.921 84 S CB -0.325 62.880 63.200 0.007 0.000 0.772 84 S HN 0.716 nan 8.310 nan 0.000 0.529 85 F N -0.439 119.473 119.950 -0.062 0.000 2.725 85 F HA 0.608 5.136 4.527 0.001 0.000 0.309 85 F C -2.113 173.718 175.800 0.051 0.000 1.132 85 F CA -1.329 56.650 58.000 -0.036 0.000 0.957 85 F CB 0.888 39.849 39.000 -0.065 0.000 1.286 85 F HN 0.027 nan 8.300 nan 0.000 0.440 86 Y N 5.405 125.174 120.300 -0.885 0.000 2.521 86 Y HA 0.710 5.261 4.550 0.001 0.000 0.332 86 Y C -1.989 173.378 175.900 -0.887 0.000 1.121 86 Y CA -1.278 56.406 58.100 -0.694 0.000 1.037 86 Y CB 1.760 40.038 38.460 -0.304 0.000 1.330 86 Y HN 0.553 nan 8.280 nan 0.000 0.452 87 M N 4.938 123.756 119.600 -1.304 0.000 2.197 87 M HA 0.327 4.808 4.480 0.001 0.000 0.301 87 M C -0.229 175.522 176.300 -0.916 0.000 0.987 87 M CA -0.604 54.160 55.300 -0.892 0.000 0.921 87 M CB 1.554 33.721 32.600 -0.722 0.000 1.569 87 M HN 0.817 nan 8.290 nan 0.000 0.431 88 T N -0.814 113.422 114.554 -0.530 0.000 2.824 88 T HA 0.423 4.774 4.350 0.001 0.000 0.277 88 T C 0.670 175.109 174.700 -0.435 0.000 0.975 88 T CA -0.608 61.172 62.100 -0.532 0.000 0.966 88 T CB 1.159 69.507 68.868 -0.866 0.000 1.054 88 T HN 0.606 nan 8.240 nan 0.000 0.533 89 N N -0.371 118.076 118.700 -0.421 0.000 2.214 89 N HA 0.080 4.821 4.740 0.001 0.000 0.214 89 N C -0.812 174.677 175.510 -0.035 0.000 1.132 89 N CA -0.093 52.836 53.050 -0.202 0.000 0.856 89 N CB 0.128 38.523 38.487 -0.154 0.000 1.020 89 N HN 0.537 nan 8.380 nan 0.000 0.509 90 Y N 1.166 121.480 120.300 0.023 0.000 2.632 90 Y HA 0.160 4.711 4.550 0.001 0.000 0.329 90 Y C 1.851 177.786 175.900 0.059 0.000 1.174 90 Y CA 0.412 58.556 58.100 0.074 0.000 1.469 90 Y CB -0.132 38.357 38.460 0.049 0.000 1.242 90 Y HN 0.293 nan 8.280 nan 0.000 0.540 91 G N 2.370 111.280 108.800 0.182 0.000 2.225 91 G HA2 -0.266 3.694 3.960 0.001 0.000 0.254 91 G HA3 -0.266 3.694 3.960 0.001 0.000 0.254 91 G C 0.788 175.686 174.900 -0.003 0.000 0.988 91 G CA 0.282 45.373 45.100 -0.015 0.000 0.625 91 G HN 0.540 nan 8.290 nan 0.000 0.527 92 E N 0.025 120.270 120.200 0.074 0.000 2.548 92 E HA 0.220 4.571 4.350 0.001 0.000 0.206 92 E C 1.622 178.335 176.600 0.188 0.000 1.005 92 E CA 0.337 56.831 56.400 0.157 0.000 0.951 92 E CB 0.399 30.226 29.700 0.212 0.000 1.035 92 E HN 0.626 nan 8.360 nan 0.000 0.470 93 E N 0.478 120.730 120.200 0.088 0.000 2.106 93 E HA -0.087 4.264 4.350 0.001 0.000 0.192 93 E C 2.041 178.676 176.600 0.058 0.000 0.984 93 E CA 1.309 57.761 56.400 0.086 0.000 0.806 93 E CB -0.260 29.501 29.700 0.102 0.000 0.750 93 E HN 0.277 nan 8.360 nan 0.000 0.458 94 G N 0.471 109.277 108.800 0.010 0.000 2.394 94 G HA2 -0.248 3.713 3.960 0.001 0.000 0.215 94 G HA3 -0.248 3.713 3.960 0.001 0.000 0.215 94 G C 1.754 176.639 174.900 -0.026 0.000 1.165 94 G CA 1.361 46.447 45.100 -0.024 0.000 0.784 94 G HN 0.409 nan 8.290 nan 0.000 0.535 95 T N -0.938 113.603 114.554 -0.021 0.000 2.788 95 T HA -0.151 4.200 4.350 0.001 0.000 0.268 95 T C 2.057 176.541 174.700 -0.359 0.000 1.044 95 T CA 1.771 63.819 62.100 -0.086 0.000 1.139 95 T CB -0.483 68.351 68.868 -0.057 0.000 0.867 95 T HN 0.437 nan 8.240 nan 0.000 0.454 96 H N 0.384 119.377 119.070 -0.128 0.000 2.384 96 H HA 0.258 4.815 4.556 0.001 0.000 0.300 96 H C 2.492 177.736 175.328 -0.141 0.000 1.057 96 H CA 1.092 57.012 56.048 -0.214 0.000 1.370 96 H CB -0.373 29.249 29.762 -0.234 0.000 1.417 96 H HN 0.159 nan 8.280 nan 0.000 0.527 97 V N 0.240 120.161 119.914 0.010 0.000 2.358 97 V HA -0.175 3.945 4.120 0.001 0.000 0.246 97 V C 2.586 178.580 176.094 -0.166 0.000 1.047 97 V CA 1.942 64.215 62.300 -0.046 0.000 1.035 97 V CB -1.035 30.806 31.823 0.031 0.000 0.658 97 V HN 0.654 nan 8.190 nan 0.000 0.452 98 G N 0.333 109.079 108.800 -0.089 0.000 2.402 98 G HA2 -0.249 3.712 3.960 0.001 0.000 0.216 98 G HA3 -0.249 3.712 3.960 0.001 0.000 0.216 98 G C 1.868 176.775 174.900 0.012 0.000 1.162 98 G CA 1.331 46.423 45.100 -0.014 0.000 0.777 98 G HN 0.635 nan 8.290 nan 0.000 0.539 99 S N 1.223 116.879 115.700 -0.074 0.000 2.371 99 S HA 0.213 4.683 4.470 0.001 0.000 0.224 99 S C 2.630 177.177 174.600 -0.089 0.000 1.029 99 S CA 1.310 59.457 58.200 -0.088 0.000 0.978 99 S CB -0.483 62.552 63.200 -0.276 0.000 0.833 99 S HN 0.551 nan 8.310 nan 0.000 0.466 100 A N 2.270 125.021 122.820 -0.115 0.000 1.940 100 A HA 0.207 4.528 4.320 0.001 0.000 0.219 100 A C 2.495 179.910 177.584 -0.282 0.000 1.176 100 A CA 1.825 53.796 52.037 -0.110 0.000 0.631 100 A CB -1.445 17.527 19.000 -0.046 0.000 0.814 100 A HN 0.876 nan 8.150 nan 0.000 0.446 101 A N -0.544 121.947 122.820 -0.548 0.000 2.015 101 A HA 0.243 4.564 4.320 0.001 0.000 0.219 101 A C 2.262 179.906 177.584 0.099 0.000 1.163 101 A CA 1.722 53.497 52.037 -0.437 0.000 0.646 101 A CB -0.643 18.171 19.000 -0.309 0.000 0.806 101 A HN 1.061 nan 8.150 nan 0.000 0.448 102 A N -0.952 121.868 122.820 -0.000 0.000 2.208 102 A HA 0.454 4.774 4.320 0.001 0.000 0.209 102 A C 0.889 178.409 177.584 -0.107 0.000 1.161 102 A CA -0.058 51.849 52.037 -0.217 0.000 0.782 102 A CB -0.252 18.431 19.000 -0.528 0.000 0.816 102 A HN 0.426 nan 8.150 nan 0.000 0.477 103 L N 0.165 121.371 121.223 -0.028 0.000 2.421 103 L HA 0.309 4.650 4.340 0.001 0.000 0.263 103 L C -0.539 176.360 176.870 0.048 0.000 1.122 103 L CA -1.007 53.835 54.840 0.003 0.000 0.804 103 L CB 0.501 42.583 42.059 0.038 0.000 1.150 103 L HN 0.057 nan 8.230 nan 0.000 0.457 104 D N 0.502 120.919 120.400 0.028 0.000 2.345 104 D HA 0.063 4.703 4.640 0.001 0.000 0.247 104 D C 0.939 177.274 176.300 0.059 0.000 1.108 104 D CA -0.149 53.875 54.000 0.040 0.000 0.894 104 D CB 0.756 41.558 40.800 0.003 0.000 1.203 104 D HN 0.378 nan 8.370 nan 0.000 0.430 105 N N 0.350 119.100 118.700 0.083 0.000 2.272 105 N HA -0.141 4.599 4.740 0.001 0.000 0.185 105 N C 1.301 176.863 175.510 0.086 0.000 1.014 105 N CA 1.173 54.294 53.050 0.117 0.000 0.870 105 N CB -0.075 38.482 38.487 0.117 0.000 0.975 105 N HN 0.500 nan 8.380 nan 0.000 0.433 106 T N -2.301 112.220 114.554 -0.054 0.000 3.086 106 T HA 0.082 4.433 4.350 0.001 0.000 0.250 106 T C 0.245 174.750 174.700 -0.325 0.000 1.074 106 T CA -0.421 61.453 62.100 -0.378 0.000 0.988 106 T CB 0.124 68.772 68.868 -0.367 0.000 0.988 106 T HN -0.134 nan 8.240 nan 0.000 0.530 107 D N 2.043 122.383 120.400 -0.099 0.000 2.455 107 D HA 0.207 4.847 4.640 0.001 0.000 0.241 107 D C -0.132 176.177 176.300 0.016 0.000 1.138 107 D CA -0.274 53.701 54.000 -0.042 0.000 0.877 107 D CB 0.877 41.677 40.800 0.000 0.000 1.187 107 D HN 0.189 nan 8.370 nan 0.000 0.451 108 L N 3.101 124.343 121.223 0.032 0.000 2.349 108 L HA 0.229 4.570 4.340 0.001 0.000 0.275 108 L C -0.725 176.186 176.870 0.068 0.000 1.115 108 L CA -0.258 54.619 54.840 0.062 0.000 0.820 108 L CB 1.396 43.507 42.059 0.086 0.000 1.135 108 L HN 0.092 nan 8.230 nan 0.000 0.445 109 V N 5.693 125.584 119.914 -0.038 0.000 2.448 109 V HA 0.465 4.586 4.120 0.001 0.000 0.295 109 V C -0.514 175.382 176.094 -0.328 0.000 1.025 109 V CA -0.452 61.832 62.300 -0.027 0.000 0.859 109 V CB 1.346 33.197 31.823 0.046 0.000 0.988 109 V HN 0.511 nan 8.190 nan 0.000 0.431 110 F N 2.305 122.200 119.950 -0.091 0.000 2.522 110 F HA 0.920 5.447 4.527 0.001 0.000 0.324 110 F C 0.779 176.580 175.800 0.002 0.000 1.077 110 F CA -0.092 57.835 58.000 -0.122 0.000 0.944 110 F CB 2.381 41.369 39.000 -0.019 0.000 1.175 110 F HN 0.674 nan 8.300 nan 0.000 0.468 111 G N 1.006 109.867 108.800 0.101 0.000 2.664 111 G HA2 0.502 4.463 3.960 0.001 0.000 0.303 111 G HA3 0.502 4.463 3.960 0.001 0.000 0.303 111 G C -1.340 173.624 174.900 0.107 0.000 1.243 111 G CA -0.284 44.928 45.100 0.187 0.000 0.826 111 G HN 0.566 nan 8.290 nan 0.000 0.498 112 Q N -2.882 116.975 119.800 0.095 0.000 2.209 112 Q HA 0.328 4.669 4.340 0.001 0.000 0.201 112 Q C 0.567 176.594 176.000 0.044 0.000 0.732 112 Q CA -0.290 55.486 55.803 -0.045 0.000 0.555 112 Q CB 0.265 28.880 28.738 -0.205 0.000 2.685 112 Q HN 0.365 nan 8.270 nan 0.000 0.224 113 Y N 0.213 120.512 120.300 -0.002 0.000 2.482 113 Y HA 0.298 4.849 4.550 0.001 0.000 0.270 113 Y C 0.881 176.717 175.900 -0.106 0.000 1.152 113 Y CA 0.438 58.497 58.100 -0.069 0.000 1.292 113 Y CB 0.828 39.264 38.460 -0.041 0.000 1.070 113 Y HN 0.161 nan 8.280 nan 0.000 0.528 114 R N 0.004 120.525 120.500 0.036 0.000 2.586 114 R HA 0.182 4.523 4.340 0.001 0.000 0.336 114 R C 0.069 176.000 176.300 -0.615 0.000 1.060 114 R CA 0.145 56.141 56.100 -0.174 0.000 1.079 114 R CB 0.310 30.586 30.300 -0.040 0.000 1.317 114 R HN 0.180 nan 8.270 nan 0.000 0.568 115 E N 0.090 120.081 120.200 -0.349 0.000 2.548 115 E HA 0.260 4.611 4.350 0.001 0.000 0.206 115 E C 1.286 177.796 176.600 -0.149 0.000 1.005 115 E CA 0.084 56.230 56.400 -0.424 0.000 0.951 115 E CB 0.723 30.408 29.700 -0.025 0.000 1.035 115 E HN 0.185 nan 8.360 nan 0.000 0.470 116 A N 0.486 123.238 122.820 -0.112 0.000 1.986 116 A HA -0.135 4.186 4.320 0.001 0.000 0.220 116 A C 2.257 179.792 177.584 -0.081 0.000 1.171 116 A CA 1.789 53.787 52.037 -0.064 0.000 0.640 116 A CB -0.953 17.985 19.000 -0.104 0.000 0.811 116 A HN 0.364 nan 8.150 nan 0.000 0.451 117 G N -0.720 108.012 108.800 -0.114 0.000 2.448 117 G HA2 -0.069 3.892 3.960 0.001 0.000 0.219 117 G HA3 -0.069 3.892 3.960 0.001 0.000 0.219 117 G C 1.441 176.393 174.900 0.086 0.000 1.127 117 G CA 1.116 46.218 45.100 0.005 0.000 0.766 117 G HN 0.332 nan 8.290 nan 0.000 0.552 118 V N 0.792 120.738 119.914 0.054 0.000 2.295 118 V HA -0.135 3.985 4.120 0.001 0.000 0.246 118 V C 2.886 179.038 176.094 0.097 0.000 1.049 118 V CA 1.449 63.827 62.300 0.130 0.000 1.024 118 V CB -0.453 31.503 31.823 0.221 0.000 0.648 118 V HN 0.348 nan 8.190 nan 0.000 0.447 119 L N -1.231 119.916 121.223 -0.125 0.000 2.046 119 L HA -0.240 4.101 4.340 0.001 0.000 0.208 119 L C 2.522 179.445 176.870 0.087 0.000 1.077 119 L CA 1.928 56.620 54.840 -0.247 0.000 0.747 119 L CB -0.473 41.172 42.059 -0.691 0.000 0.896 119 L HN 0.367 nan 8.230 nan 0.000 0.432 120 M N -0.978 118.781 119.600 0.264 0.000 2.080 120 M HA -0.293 4.188 4.480 0.001 0.000 0.260 120 M C 2.198 178.608 176.300 0.184 0.000 1.068 120 M CA 1.884 57.358 55.300 0.290 0.000 1.109 120 M CB -0.628 32.090 32.600 0.197 0.000 1.342 120 M HN 0.189 nan 8.290 nan 0.000 0.405 121 Y N 0.439 120.790 120.300 0.086 0.000 2.224 121 Y HA -0.124 4.426 4.550 0.001 0.000 0.289 121 Y C 1.636 177.580 175.900 0.073 0.000 1.146 121 Y CA 1.771 59.915 58.100 0.074 0.000 1.182 121 Y CB -0.124 38.380 38.460 0.072 0.000 0.983 121 Y HN 0.195 nan 8.280 nan 0.000 0.524 122 R N 0.960 121.527 120.500 0.112 0.000 2.328 122 R HA -0.046 4.295 4.340 0.001 0.000 0.206 122 R C -0.446 175.856 176.300 0.002 0.000 0.990 122 R CA 0.852 56.979 56.100 0.045 0.000 1.085 122 R CB -0.355 30.011 30.300 0.110 0.000 0.998 122 R HN 0.365 nan 8.270 nan 0.000 0.484 123 D N -0.724 119.670 120.400 -0.010 0.000 2.870 123 D HA -0.247 4.393 4.640 0.001 0.000 0.228 123 D C -0.734 175.579 176.300 0.022 0.000 1.147 123 D CA 0.902 54.901 54.000 -0.001 0.000 0.757 123 D CB -1.514 39.264 40.800 -0.037 0.000 1.091 123 D HN 0.285 nan 8.370 nan 0.000 0.429 124 Y N 1.033 121.237 120.300 -0.161 0.000 2.544 124 Y HA 0.268 4.819 4.550 0.001 0.000 0.330 124 Y C -1.827 173.899 175.900 -0.290 0.000 1.136 124 Y CA -1.568 56.325 58.100 -0.344 0.000 1.417 124 Y CB 0.519 38.564 38.460 -0.693 0.000 1.229 124 Y HN -0.106 nan 8.280 nan 0.000 0.532 125 P HA 0.040 nan 4.420 nan 0.000 0.268 125 P C 0.732 177.835 177.300 -0.328 0.000 1.205 125 P CA 0.179 63.054 63.100 -0.374 0.000 0.771 125 P CB 0.759 32.236 31.700 -0.373 0.000 0.858 126 L N 1.743 122.951 121.223 -0.024 0.000 2.081 126 L HA -0.233 4.108 4.340 0.001 0.000 0.212 126 L C 2.331 179.232 176.870 0.052 0.000 1.080 126 L CA 1.728 56.656 54.840 0.147 0.000 0.754 126 L CB -0.644 41.479 42.059 0.107 0.000 0.893 126 L HN 0.534 nan 8.230 nan 0.000 0.433 127 E N 0.670 120.833 120.200 -0.062 0.000 2.130 127 E HA -0.245 4.105 4.350 0.001 0.000 0.196 127 E C 2.251 178.785 176.600 -0.110 0.000 0.998 127 E CA 1.263 57.617 56.400 -0.076 0.000 0.806 127 E CB -0.007 29.631 29.700 -0.103 0.000 0.738 127 E HN 0.520 nan 8.360 nan 0.000 0.459 128 L N -0.501 120.535 121.223 -0.311 0.000 2.162 128 L HA -0.033 4.307 4.340 0.001 0.000 0.205 128 L C 2.226 179.018 176.870 -0.130 0.000 1.086 128 L CA 0.257 54.874 54.840 -0.372 0.000 0.778 128 L CB -0.328 41.189 42.059 -0.903 0.000 0.928 128 L HN 0.143 nan 8.230 nan 0.000 0.446 129 F N 0.429 120.296 119.950 -0.139 0.000 2.091 129 F HA -0.269 4.258 4.527 0.001 0.000 0.299 129 F C 2.558 178.515 175.800 0.262 0.000 1.103 129 F CA 1.639 59.669 58.000 0.051 0.000 1.228 129 F CB -0.547 38.421 39.000 -0.053 0.000 0.984 129 F HN 0.014 nan 8.300 nan 0.000 0.477 130 M N -0.948 118.875 119.600 0.371 0.000 2.419 130 M HA -0.026 4.454 4.480 0.001 0.000 0.264 130 M C 2.362 178.854 176.300 0.320 0.000 1.082 130 M CA 1.146 56.658 55.300 0.354 0.000 1.119 130 M CB -0.630 32.114 32.600 0.241 0.000 1.398 130 M HN 0.157 nan 8.290 nan 0.000 0.453 131 A N 0.056 122.995 122.820 0.198 0.000 1.930 131 A HA -0.165 4.155 4.320 0.001 0.000 0.217 131 A C 2.208 179.919 177.584 0.212 0.000 1.175 131 A CA 1.298 53.427 52.037 0.153 0.000 0.627 131 A CB -0.561 18.478 19.000 0.066 0.000 0.815 131 A HN 0.416 nan 8.150 nan 0.000 0.443 132 Q N -0.143 119.830 119.800 0.288 0.000 2.046 132 Q HA -0.165 4.175 4.340 0.001 0.000 0.200 132 Q C 2.274 178.418 176.000 0.240 0.000 0.975 132 Q CA 2.020 58.002 55.803 0.298 0.000 0.836 132 Q CB -0.613 28.407 28.738 0.470 0.000 0.896 132 Q HN 0.676 nan 8.270 nan 0.000 0.428 133 C N -0.139 119.342 119.300 0.302 0.000 2.413 133 C HA -0.145 4.316 4.460 0.001 0.000 0.277 133 C C 2.377 177.327 174.990 -0.067 0.000 1.265 133 C CA 0.481 59.584 59.018 0.142 0.000 1.752 133 C CB -1.362 26.487 27.740 0.183 0.000 1.998 133 C HN 0.496 nan 8.230 nan 0.000 0.489 134 Y N 0.440 120.774 120.300 0.057 0.000 2.523 134 Y HA 0.232 4.782 4.550 0.001 0.000 0.279 134 Y C 2.001 177.884 175.900 -0.028 0.000 1.139 134 Y CA 0.830 58.917 58.100 -0.021 0.000 1.296 134 Y CB -0.517 37.892 38.460 -0.084 0.000 1.045 134 Y HN 0.388 nan 8.280 nan 0.000 0.538 135 G N 1.901 110.770 108.800 0.114 0.000 2.323 135 G HA2 -0.361 3.600 3.960 0.001 0.000 0.292 135 G HA3 -0.361 3.600 3.960 0.001 0.000 0.292 135 G C -0.159 174.768 174.900 0.046 0.000 1.040 135 G CA 0.451 45.594 45.100 0.071 0.000 0.942 135 G HN 0.541 nan 8.290 nan 0.000 0.506 136 N N -0.750 117.986 118.700 0.060 0.000 2.538 136 N HA 0.561 5.302 4.740 0.001 0.000 0.292 136 N C 1.850 177.364 175.510 0.006 0.000 1.262 136 N CA -0.693 52.357 53.050 -0.001 0.000 0.976 136 N CB 0.246 38.718 38.487 -0.024 0.000 1.161 136 N HN 0.557 nan 8.380 nan 0.000 0.598 137 I N -3.634 116.928 120.570 -0.013 0.000 2.567 137 I HA -0.089 4.082 4.170 0.001 0.000 0.257 137 I C 0.943 177.066 176.117 0.010 0.000 1.184 137 I CA 1.049 62.353 61.300 0.006 0.000 1.451 137 I CB -0.401 37.599 38.000 0.000 0.000 1.089 137 I HN 0.298 nan 8.210 nan 0.000 0.441 138 S N 0.016 115.716 115.700 0.000 0.000 2.561 138 S HA -0.042 4.429 4.470 0.001 0.000 0.225 138 S C 0.599 175.209 174.600 0.017 0.000 0.977 138 S CA 0.221 58.419 58.200 -0.003 0.000 0.926 138 S CB -0.634 62.551 63.200 -0.025 0.000 0.769 138 S HN 0.544 nan 8.310 nan 0.000 0.533 139 D N 1.339 121.765 120.400 0.043 0.000 2.371 139 D HA 0.118 4.759 4.640 0.001 0.000 0.256 139 D C 0.960 177.302 176.300 0.070 0.000 1.193 139 D CA 0.003 54.047 54.000 0.074 0.000 0.881 139 D CB 0.410 41.267 40.800 0.096 0.000 1.143 139 D HN 0.073 nan 8.370 nan 0.000 0.473 140 L N 3.159 124.429 121.223 0.078 0.000 2.362 140 L HA 0.032 4.373 4.340 0.001 0.000 0.219 140 L C 2.147 179.064 176.870 0.078 0.000 1.134 140 L CA 0.881 55.764 54.840 0.071 0.000 0.807 140 L CB -0.121 41.980 42.059 0.070 0.000 0.927 140 L HN 0.564 nan 8.230 nan 0.000 0.447 141 G N -0.651 108.207 108.800 0.097 0.000 2.920 141 G HA2 -0.071 3.890 3.960 0.001 0.000 0.208 141 G HA3 -0.071 3.890 3.960 0.001 0.000 0.208 141 G C 0.864 175.807 174.900 0.071 0.000 1.159 141 G CA -0.190 44.964 45.100 0.089 0.000 0.784 141 G HN 0.387 nan 8.290 nan 0.000 0.535 142 K N -1.456 118.986 120.400 0.070 0.000 3.088 142 K HA -0.210 4.111 4.320 0.001 0.000 0.273 142 K C 1.310 177.949 176.600 0.066 0.000 1.111 142 K CA 0.380 56.706 56.287 0.065 0.000 0.803 142 K CB -1.766 30.770 32.500 0.060 0.000 1.226 142 K HN 1.068 nan 8.250 nan 0.000 0.485 143 G N 0.047 108.887 108.800 0.067 0.000 2.153 143 G HA2 -0.380 3.581 3.960 0.001 0.000 0.252 143 G HA3 -0.380 3.581 3.960 0.001 0.000 0.252 143 G C 0.705 175.629 174.900 0.039 0.000 0.994 143 G CA 0.809 45.945 45.100 0.061 0.000 0.698 143 G HN 0.489 nan 8.290 nan 0.000 0.521 144 R N -0.680 119.836 120.500 0.027 0.000 2.161 144 R HA 0.139 4.480 4.340 0.001 0.000 0.213 144 R C 1.400 177.675 176.300 -0.042 0.000 1.055 144 R CA 0.788 56.885 56.100 -0.005 0.000 0.996 144 R CB 0.093 30.390 30.300 -0.005 0.000 0.901 144 R HN 0.531 nan 8.270 nan 0.000 0.456 145 Q N 0.797 120.570 119.800 -0.045 0.000 2.215 145 Q HA 0.270 4.611 4.340 0.001 0.000 0.256 145 Q C -0.166 175.713 176.000 -0.203 0.000 0.972 145 Q CA -0.633 55.082 55.803 -0.148 0.000 0.889 145 Q CB 2.042 30.713 28.738 -0.112 0.000 1.281 145 Q HN 0.092 nan 8.270 nan 0.000 0.456 146 M N -0.102 119.253 119.600 -0.408 0.000 2.207 146 M HA 0.326 4.807 4.480 0.001 0.000 0.311 146 M C -2.334 173.887 176.300 -0.132 0.000 1.127 146 M CA -1.221 53.890 55.300 -0.315 0.000 1.181 146 M CB -0.223 32.104 32.600 -0.454 0.000 1.409 146 M HN 0.134 nan 8.290 nan 0.000 0.461 147 P HA -0.026 nan 4.420 nan 0.000 0.269 147 P C 0.251 177.697 177.300 0.243 0.000 1.211 147 P CA 0.676 63.881 63.100 0.176 0.000 0.781 147 P CB 0.337 32.173 31.700 0.226 0.000 0.877 148 V N -1.208 118.623 119.914 -0.137 0.000 2.666 148 V HA -0.268 3.852 4.120 0.001 0.000 0.147 148 V C -0.106 175.617 176.094 -0.618 0.000 0.450 148 V CA 1.353 63.213 62.300 -0.733 0.000 1.232 148 V CB -3.082 28.455 31.823 -0.476 0.000 1.437 148 V HN 0.748 nan 8.190 nan 0.000 1.056 149 H N 0.552 119.415 119.070 -0.345 0.000 2.680 149 H HA 0.400 4.957 4.556 0.001 0.000 0.224 149 H C 0.158 175.488 175.328 0.004 0.000 1.866 149 H CA 0.017 56.030 56.048 -0.058 0.000 1.302 149 H CB -0.005 29.779 29.762 0.036 0.000 1.709 149 H HN 0.666 nan 8.280 nan 0.000 0.537 150 Y N 0.491 120.942 120.300 0.251 0.000 2.314 150 Y HA 0.410 4.961 4.550 0.001 0.000 0.334 150 Y C 1.240 177.253 175.900 0.188 0.000 1.266 150 Y CA -0.450 57.744 58.100 0.157 0.000 1.391 150 Y CB 1.192 39.651 38.460 -0.003 0.000 1.306 150 Y HN 0.444 nan 8.280 nan 0.000 0.558 151 G N -0.796 108.155 108.800 0.252 0.000 2.732 151 G HA2 0.465 4.426 3.960 0.001 0.000 0.296 151 G HA3 0.465 4.426 3.960 0.001 0.000 0.296 151 G C -2.244 172.675 174.900 0.032 0.000 1.448 151 G CA -0.695 44.541 45.100 0.226 0.000 0.911 151 G HN 0.826 nan 8.290 nan 0.000 0.528 152 C N 2.991 122.305 119.300 0.024 0.000 2.727 152 C HA 0.569 5.030 4.460 0.001 0.000 0.369 152 C C 1.269 176.238 174.990 -0.035 0.000 1.067 152 C CA -0.721 58.271 59.018 -0.043 0.000 1.273 152 C CB 0.760 28.367 27.740 -0.221 0.000 1.778 152 C HN 1.036 nan 8.230 nan 0.000 0.467 153 K N 2.752 123.127 120.400 -0.042 0.000 2.057 153 K HA -0.141 4.180 4.320 0.001 0.000 0.206 153 K C 1.818 178.277 176.600 -0.235 0.000 1.050 153 K CA 2.107 58.334 56.287 -0.100 0.000 0.935 153 K CB -0.064 32.406 32.500 -0.051 0.000 0.715 153 K HN 0.886 nan 8.250 nan 0.000 0.439 154 E N 0.550 120.652 120.200 -0.162 0.000 2.118 154 E HA -0.201 4.150 4.350 0.001 0.000 0.195 154 E C 1.145 177.556 176.600 -0.314 0.000 0.992 154 E CA 1.216 57.499 56.400 -0.194 0.000 0.804 154 E CB 0.170 29.831 29.700 -0.066 0.000 0.741 154 E HN 0.257 nan 8.360 nan 0.000 0.458 155 R N -0.632 119.748 120.500 -0.199 0.000 2.466 155 R HA 0.117 4.458 4.340 0.001 0.000 0.279 155 R C -0.428 175.886 176.300 0.024 0.000 0.976 155 R CA 0.034 56.096 56.100 -0.063 0.000 1.081 155 R CB 0.260 30.556 30.300 -0.006 0.000 1.215 155 R HN 0.254 nan 8.270 nan 0.000 0.546 156 H N -0.730 118.374 119.070 0.057 0.000 2.756 156 H HA -0.231 4.326 4.556 0.001 0.000 0.315 156 H C -1.066 174.287 175.328 0.042 0.000 1.210 156 H CA 0.893 56.959 56.048 0.030 0.000 1.150 156 H CB -1.818 27.964 29.762 0.033 0.000 1.463 156 H HN 0.236 nan 8.280 nan 0.000 0.427 157 F N 0.715 120.604 119.950 -0.101 0.000 2.500 157 F HA 0.414 4.942 4.527 0.001 0.000 0.349 157 F C -0.283 175.405 175.800 -0.186 0.000 1.127 157 F CA -0.748 57.174 58.000 -0.130 0.000 0.998 157 F CB 0.850 39.759 39.000 -0.151 0.000 1.237 157 F HN -0.096 nan 8.300 nan 0.000 0.439 158 V N 4.593 124.189 119.914 -0.531 0.000 2.637 158 V HA 0.090 4.211 4.120 0.001 0.000 0.296 158 V C 0.640 176.590 176.094 -0.241 0.000 1.046 158 V CA -0.224 61.806 62.300 -0.449 0.000 1.066 158 V CB 0.987 32.243 31.823 -0.945 0.000 0.968 158 V HN 0.772 nan 8.190 nan 0.000 0.483 159 T N 6.763 121.294 114.554 -0.038 0.000 2.905 159 T HA 0.068 4.419 4.350 0.001 0.000 0.299 159 T C 0.319 175.058 174.700 0.065 0.000 1.024 159 T CA -0.123 62.030 62.100 0.089 0.000 1.151 159 T CB -0.198 68.723 68.868 0.089 0.000 0.987 159 T HN 0.268 nan 8.240 nan 0.000 0.535 160 I N 3.477 124.121 120.570 0.123 0.000 2.754 160 I HA 0.169 4.339 4.170 0.001 0.000 0.285 160 I C 1.051 177.221 176.117 0.088 0.000 1.166 160 I CA 0.085 61.419 61.300 0.058 0.000 1.417 160 I CB 0.409 38.430 38.000 0.035 0.000 1.382 160 I HN 0.797 nan 8.210 nan 0.000 0.588 161 S N 2.725 118.445 115.700 0.034 0.000 2.570 161 S HA 0.450 4.921 4.470 0.001 0.000 0.286 161 S C 0.571 175.179 174.600 0.014 0.000 1.099 161 S CA -0.624 57.641 58.200 0.108 0.000 0.913 161 S CB 1.759 65.001 63.200 0.071 0.000 1.085 161 S HN 0.472 nan 8.310 nan 0.000 0.480 162 S N 1.174 116.974 115.700 0.167 0.000 2.383 162 S HA 0.088 4.558 4.470 0.001 0.000 0.227 162 S C -1.982 172.600 174.600 -0.030 0.000 1.026 162 S CA 0.620 58.894 58.200 0.124 0.000 0.981 162 S CB -1.493 61.866 63.200 0.265 0.000 0.818 162 S HN 0.661 nan 8.310 nan 0.000 0.472 163 P HA 0.146 nan 4.420 nan 0.000 0.265 163 P C -0.501 176.761 177.300 -0.064 0.000 1.222 163 P CA 0.135 63.218 63.100 -0.030 0.000 0.767 163 P CB 0.169 31.856 31.700 -0.022 0.000 0.801 164 L N 2.739 123.925 121.223 -0.062 0.000 2.461 164 L HA 0.175 4.516 4.340 0.001 0.000 0.272 164 L C 1.453 178.282 176.870 -0.069 0.000 1.197 164 L CA 0.424 55.224 54.840 -0.067 0.000 0.836 164 L CB -0.192 41.851 42.059 -0.027 0.000 1.105 164 L HN 0.602 nan 8.230 nan 0.000 0.477 165 A N 0.822 123.602 122.820 -0.068 0.000 3.661 165 A HA -0.275 4.046 4.320 0.001 0.000 0.269 165 A C 1.708 179.206 177.584 -0.142 0.000 1.056 165 A CA 1.620 53.579 52.037 -0.129 0.000 1.159 165 A CB -2.376 16.509 19.000 -0.190 0.000 1.105 165 A HN 0.937 nan 8.150 nan 0.000 0.907 166 T N -0.817 113.679 114.554 -0.097 0.000 2.881 166 T HA -0.204 4.147 4.350 0.001 0.000 0.270 166 T C 1.771 176.415 174.700 -0.093 0.000 1.068 166 T CA 1.682 63.725 62.100 -0.095 0.000 1.131 166 T CB -0.472 68.361 68.868 -0.058 0.000 0.871 166 T HN 1.121 nan 8.240 nan 0.000 0.479 167 Q N 1.341 121.113 119.800 -0.046 0.000 2.436 167 Q HA 0.032 4.372 4.340 0.001 0.000 0.209 167 Q C 2.122 178.020 176.000 -0.171 0.000 0.965 167 Q CA 0.799 56.586 55.803 -0.027 0.000 0.910 167 Q CB -0.716 28.116 28.738 0.156 0.000 0.980 167 Q HN 0.616 nan 8.270 nan 0.000 0.491 168 I N 2.282 122.757 120.570 -0.159 0.000 2.163 168 I HA -0.144 4.027 4.170 0.001 0.000 0.240 168 I C -0.360 175.654 176.117 -0.171 0.000 1.081 168 I CA 1.144 62.354 61.300 -0.151 0.000 1.353 168 I CB -1.454 36.352 38.000 -0.324 0.000 1.054 168 I HN 0.148 nan 8.210 nan 0.000 0.407 169 P HA -0.139 nan 4.420 nan 0.000 0.221 169 P C 1.339 178.479 177.300 -0.268 0.000 1.150 169 P CA 1.376 64.307 63.100 -0.281 0.000 0.800 169 P CB -0.046 31.417 31.700 -0.395 0.000 0.787 170 Q N 0.241 119.863 119.800 -0.296 0.000 2.050 170 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 170 Q C 2.457 178.079 176.000 -0.630 0.000 0.980 170 Q CA 1.778 57.377 55.803 -0.339 0.000 0.840 170 Q CB -0.792 27.799 28.738 -0.246 0.000 0.898 170 Q HN 0.188 nan 8.270 nan 0.000 0.424 171 A N 0.513 122.724 122.820 -1.014 0.000 1.940 171 A HA -0.157 4.164 4.320 0.001 0.000 0.219 171 A C 2.347 179.684 177.584 -0.411 0.000 1.176 171 A CA 1.422 52.771 52.037 -1.147 0.000 0.631 171 A CB -0.698 17.839 19.000 -0.772 0.000 0.814 171 A HN 0.218 nan 8.150 nan 0.000 0.446 172 V N -0.172 119.604 119.914 -0.230 0.000 2.358 172 V HA -0.173 3.948 4.120 0.001 0.000 0.246 172 V C 2.835 178.933 176.094 0.006 0.000 1.047 172 V CA 1.916 64.182 62.300 -0.057 0.000 1.035 172 V CB -1.491 30.365 31.823 0.055 0.000 0.658 172 V HN 0.606 nan 8.190 nan 0.000 0.452 173 G N -0.248 108.533 108.800 -0.031 0.000 2.440 173 G HA2 -0.244 3.717 3.960 0.001 0.000 0.218 173 G HA3 -0.244 3.717 3.960 0.001 0.000 0.218 173 G C 1.751 176.708 174.900 0.096 0.000 1.154 173 G CA 1.104 46.232 45.100 0.047 0.000 0.767 173 G HN 0.617 nan 8.290 nan 0.000 0.552 174 A N 0.942 123.789 122.820 0.045 0.000 1.969 174 A HA 0.327 4.647 4.320 0.001 0.000 0.218 174 A C 2.764 180.412 177.584 0.107 0.000 1.169 174 A CA 2.098 54.215 52.037 0.133 0.000 0.635 174 A CB -0.592 18.580 19.000 0.285 0.000 0.810 174 A HN 0.752 nan 8.150 nan 0.000 0.445 175 A N -1.687 121.170 122.820 0.062 0.000 1.929 175 A HA -0.045 4.275 4.320 0.001 0.000 0.216 175 A C 2.099 179.716 177.584 0.054 0.000 1.176 175 A CA 1.461 53.520 52.037 0.037 0.000 0.628 175 A CB -0.728 18.262 19.000 -0.017 0.000 0.816 175 A HN 0.656 nan 8.150 nan 0.000 0.444 176 Y N 0.629 120.932 120.300 0.005 0.000 2.145 176 Y HA -0.108 4.442 4.550 0.001 0.000 0.286 176 Y C 2.664 178.576 175.900 0.019 0.000 1.145 176 Y CA 1.371 59.481 58.100 0.016 0.000 1.148 176 Y CB -0.392 38.086 38.460 0.029 0.000 0.981 176 Y HN 0.311 nan 8.280 nan 0.000 0.507 177 A N 0.261 123.169 122.820 0.146 0.000 1.933 177 A HA -0.137 4.184 4.320 0.001 0.000 0.218 177 A C 2.387 179.961 177.584 -0.018 0.000 1.175 177 A CA 1.811 53.893 52.037 0.076 0.000 0.628 177 A CB -1.447 17.623 19.000 0.117 0.000 0.814 177 A HN 0.587 nan 8.150 nan 0.000 0.444 178 A N -0.095 122.719 122.820 -0.010 0.000 1.902 178 A HA -0.171 4.150 4.320 0.001 0.000 0.217 178 A C 2.113 179.650 177.584 -0.078 0.000 1.181 178 A CA 2.032 54.052 52.037 -0.028 0.000 0.623 178 A CB -0.475 18.519 19.000 -0.010 0.000 0.818 178 A HN 0.582 nan 8.150 nan 0.000 0.443 179 K N -0.415 119.903 120.400 -0.137 0.000 2.032 179 K HA -0.181 4.140 4.320 0.001 0.000 0.209 179 K C 2.280 178.764 176.600 -0.193 0.000 1.048 179 K CA 1.583 57.759 56.287 -0.185 0.000 0.927 179 K CB -0.209 32.116 32.500 -0.291 0.000 0.712 179 K HN 0.404 nan 8.250 nan 0.000 0.441 180 R N -0.305 120.047 120.500 -0.248 0.000 2.096 180 R HA -0.076 4.264 4.340 0.001 0.000 0.235 180 R C 2.253 178.501 176.300 -0.087 0.000 1.127 180 R CA 1.179 57.174 56.100 -0.174 0.000 0.968 180 R CB -0.262 29.949 30.300 -0.148 0.000 0.861 180 R HN 0.279 nan 8.270 nan 0.000 0.440 181 A N 0.759 123.540 122.820 -0.065 0.000 2.119 181 A HA -0.109 4.211 4.320 0.001 0.000 0.217 181 A C 0.620 178.184 177.584 -0.034 0.000 1.153 181 A CA 0.615 52.632 52.037 -0.032 0.000 0.692 181 A CB -0.436 18.555 19.000 -0.016 0.000 0.799 181 A HN 0.568 nan 8.150 nan 0.000 0.458 182 N N -2.438 116.232 118.700 -0.049 0.000 2.725 182 N HA -0.198 4.543 4.740 0.001 0.000 0.251 182 N C 0.125 175.616 175.510 -0.031 0.000 1.031 182 N CA 0.518 53.542 53.050 -0.043 0.000 0.720 182 N CB -0.805 37.660 38.487 -0.037 0.000 0.930 182 N HN 0.617 nan 8.380 nan 0.000 0.543 183 A N 1.051 123.852 122.820 -0.031 0.000 2.812 183 A HA 0.433 4.754 4.320 0.001 0.000 0.294 183 A C 0.671 178.237 177.584 -0.030 0.000 1.014 183 A CA 0.325 52.346 52.037 -0.026 0.000 1.024 183 A CB -0.017 18.971 19.000 -0.021 0.000 1.162 183 A HN 0.582 nan 8.150 nan 0.000 0.511 184 N N -0.285 118.395 118.700 -0.033 0.000 2.714 184 N HA -0.208 4.533 4.740 0.001 0.000 0.253 184 N C -0.245 175.242 175.510 -0.038 0.000 1.024 184 N CA 1.220 54.250 53.050 -0.033 0.000 0.726 184 N CB -0.916 37.555 38.487 -0.028 0.000 0.908 184 N HN 0.791 nan 8.380 nan 0.000 0.542 185 R N 0.184 120.660 120.500 -0.041 0.000 2.750 185 R HA 0.753 5.093 4.340 0.001 0.000 0.281 185 R C -1.095 175.182 176.300 -0.038 0.000 0.972 185 R CA -0.772 55.301 56.100 -0.044 0.000 0.912 185 R CB 1.674 31.946 30.300 -0.048 0.000 1.187 185 R HN 0.025 nan 8.270 nan 0.000 0.464 186 V N 3.750 123.641 119.914 -0.038 0.000 2.975 186 V HA 0.587 4.707 4.120 0.001 0.000 0.318 186 V C -0.837 175.248 176.094 -0.014 0.000 1.077 186 V CA -0.613 61.665 62.300 -0.036 0.000 1.000 186 V CB 2.218 34.009 31.823 -0.054 0.000 1.066 186 V HN 0.568 nan 8.190 nan 0.000 0.452 187 V N 4.985 124.890 119.914 -0.015 0.000 2.628 187 V HA 0.549 4.670 4.120 0.001 0.000 0.306 187 V C -0.274 175.807 176.094 -0.023 0.000 1.045 187 V CA -0.543 61.778 62.300 0.035 0.000 0.905 187 V CB 1.715 33.578 31.823 0.067 0.000 0.997 187 V HN 0.718 nan 8.190 nan 0.000 0.436 188 I N 3.589 124.172 120.570 0.022 0.000 2.530 188 I HA 0.689 4.859 4.170 0.001 0.000 0.297 188 I C -1.028 175.088 176.117 -0.001 0.000 1.011 188 I CA -0.289 60.963 61.300 -0.081 0.000 1.107 188 I CB 1.583 39.485 38.000 -0.163 0.000 1.285 188 I HN 0.777 nan 8.210 nan 0.000 0.436 189 C N 7.331 126.603 119.300 -0.046 0.000 2.381 189 C HA 0.569 5.030 4.460 0.001 0.000 0.328 189 C C -1.088 174.065 174.990 0.273 0.000 1.190 189 C CA -0.404 58.734 59.018 0.200 0.000 1.369 189 C CB 0.024 27.916 27.740 0.254 0.000 2.029 189 C HN 0.730 nan 8.230 nan 0.000 0.448 190 Y N 5.462 125.984 120.300 0.371 0.000 2.387 190 Y HA 0.787 5.338 4.550 0.001 0.000 0.330 190 Y C 0.260 176.410 175.900 0.417 0.000 1.133 190 Y CA -0.232 58.046 58.100 0.297 0.000 1.152 190 Y CB 1.122 39.722 38.460 0.233 0.000 1.215 190 Y HN 0.726 nan 8.280 nan 0.000 0.466 191 F N -1.413 118.781 119.950 0.406 0.000 2.744 191 F HA 0.769 5.297 4.527 0.001 0.000 0.311 191 F C -0.324 175.624 175.800 0.248 0.000 1.144 191 F CA -1.712 56.443 58.000 0.259 0.000 0.938 191 F CB 0.440 39.547 39.000 0.179 0.000 1.292 191 F HN 0.613 nan 8.300 nan 0.000 0.444 192 G N 0.206 109.200 108.800 0.324 0.000 2.557 192 G HA2 0.415 4.376 3.960 0.001 0.000 0.292 192 G HA3 0.415 4.376 3.960 0.001 0.000 0.292 192 G C 0.375 175.447 174.900 0.286 0.000 1.237 192 G CA 0.001 45.240 45.100 0.232 0.000 0.978 192 G HN 0.947 nan 8.290 nan 0.000 0.498 193 E N -0.169 120.164 120.200 0.222 0.000 2.208 193 E HA -0.029 4.321 4.350 0.001 0.000 0.193 193 E C 2.125 178.875 176.600 0.251 0.000 0.988 193 E CA 1.313 57.864 56.400 0.251 0.000 0.828 193 E CB -0.979 28.883 29.700 0.270 0.000 0.763 193 E HN 0.478 nan 8.360 nan 0.000 0.478 194 G N 1.667 110.589 108.800 0.203 0.000 2.433 194 G HA2 -0.227 3.733 3.960 0.001 0.000 0.216 194 G HA3 -0.227 3.733 3.960 0.001 0.000 0.216 194 G C 1.863 176.842 174.900 0.131 0.000 1.186 194 G CA 1.857 47.048 45.100 0.153 0.000 0.779 194 G HN 0.503 nan 8.290 nan 0.000 0.543 195 A N 1.129 124.040 122.820 0.153 0.000 1.986 195 A HA 0.177 4.498 4.320 0.001 0.000 0.220 195 A C 2.729 180.328 177.584 0.025 0.000 1.171 195 A CA 2.280 54.376 52.037 0.098 0.000 0.640 195 A CB -0.703 18.397 19.000 0.166 0.000 0.811 195 A HN 0.932 nan 8.150 nan 0.000 0.451 196 A N -0.883 122.010 122.820 0.121 0.000 2.125 196 A HA 0.017 4.338 4.320 0.001 0.000 0.219 196 A C 2.226 179.762 177.584 -0.080 0.000 1.156 196 A CA 1.650 53.678 52.037 -0.016 0.000 0.671 196 A CB -0.568 18.561 19.000 0.215 0.000 0.794 196 A HN 0.422 nan 8.150 nan 0.000 0.459 197 S N 0.089 115.787 115.700 -0.003 0.000 2.489 197 S HA 0.001 4.472 4.470 0.001 0.000 0.228 197 S C 0.682 175.239 174.600 -0.073 0.000 0.995 197 S CA 0.072 58.263 58.200 -0.015 0.000 0.934 197 S CB -0.099 63.118 63.200 0.030 0.000 0.771 197 S HN 0.585 nan 8.310 nan 0.000 0.522 198 E N 0.641 120.779 120.200 -0.104 0.000 2.404 198 E HA 0.081 4.432 4.350 0.001 0.000 0.261 198 E C 1.453 177.962 176.600 -0.153 0.000 1.074 198 E CA 0.148 56.477 56.400 -0.118 0.000 0.917 198 E CB 0.461 30.085 29.700 -0.127 0.000 0.965 198 E HN 0.296 nan 8.360 nan 0.000 0.433 199 G N 2.824 111.554 108.800 -0.117 0.000 2.469 199 G HA2 -0.294 3.666 3.960 0.001 0.000 0.220 199 G HA3 -0.294 3.666 3.960 0.001 0.000 0.220 199 G C 0.956 175.769 174.900 -0.145 0.000 1.136 199 G CA 0.632 45.673 45.100 -0.099 0.000 0.759 199 G HN 0.420 nan 8.290 nan 0.000 0.562 200 D N 0.725 121.008 120.400 -0.195 0.000 2.218 200 D HA 0.001 4.641 4.640 0.001 0.000 0.204 200 D C 2.710 178.767 176.300 -0.405 0.000 0.976 200 D CA 1.011 54.851 54.000 -0.267 0.000 0.853 200 D CB -0.279 40.380 40.800 -0.236 0.000 0.939 200 D HN 0.337 nan 8.370 nan 0.000 0.481 201 A N 0.050 122.571 122.820 -0.497 0.000 1.898 201 A HA -0.216 4.105 4.320 0.001 0.000 0.216 201 A C 2.041 179.025 177.584 -1.001 0.000 1.181 201 A CA 1.737 53.232 52.037 -0.904 0.000 0.620 201 A CB -0.783 17.652 19.000 -0.942 0.000 0.819 201 A HN 0.300 nan 8.150 nan 0.000 0.442 202 H N 0.185 118.870 119.070 -0.642 0.000 2.387 202 H HA 0.049 4.606 4.556 0.001 0.000 0.299 202 H C 2.139 177.289 175.328 -0.297 0.000 1.090 202 H CA 1.706 57.522 56.048 -0.387 0.000 1.332 202 H CB -0.317 29.368 29.762 -0.128 0.000 1.386 202 H HN 0.379 nan 8.280 nan 0.000 0.516 203 A N -0.031 122.599 122.820 -0.316 0.000 1.851 203 A HA -0.109 4.211 4.320 0.001 0.000 0.216 203 A C 2.743 180.087 177.584 -0.401 0.000 1.195 203 A CA 1.803 53.611 52.037 -0.380 0.000 0.622 203 A CB -1.475 17.260 19.000 -0.442 0.000 0.831 203 A HN 0.600 nan 8.150 nan 0.000 0.444 204 G N -1.490 107.058 108.800 -0.420 0.000 2.402 204 G HA2 -0.089 3.871 3.960 0.001 0.000 0.216 204 G HA3 -0.089 3.871 3.960 0.001 0.000 0.216 204 G C 1.340 176.227 174.900 -0.022 0.000 1.162 204 G CA 0.998 45.974 45.100 -0.206 0.000 0.777 204 G HN 0.344 nan 8.290 nan 0.000 0.539 205 F N 1.436 120.998 119.950 -0.647 0.000 2.134 205 F HA -0.045 4.483 4.527 0.001 0.000 0.299 205 F C 2.460 177.986 175.800 -0.457 0.000 1.097 205 F CA 0.909 58.395 58.000 -0.857 0.000 1.264 205 F CB -1.068 37.035 39.000 -1.494 0.000 1.001 205 F HN 0.168 nan 8.300 nan 0.000 0.479 206 N N 0.033 118.621 118.700 -0.188 0.000 2.106 206 N HA -0.175 4.566 4.740 0.001 0.000 0.188 206 N C 1.779 177.395 175.510 0.177 0.000 1.029 206 N CA 1.159 54.250 53.050 0.069 0.000 0.848 206 N CB -0.524 37.993 38.487 0.050 0.000 1.007 206 N HN 0.000 nan 8.380 nan 0.000 0.423 207 F N 1.051 120.961 119.950 -0.066 0.000 2.171 207 F HA 0.057 4.585 4.527 0.001 0.000 0.300 207 F C 2.378 178.194 175.800 0.025 0.000 1.090 207 F CA 0.858 58.838 58.000 -0.033 0.000 1.293 207 F CB -1.107 37.863 39.000 -0.051 0.000 1.013 207 F HN 0.093 nan 8.300 nan 0.000 0.486 208 A N -0.284 122.711 122.820 0.291 0.000 1.972 208 A HA -0.017 4.304 4.320 0.001 0.000 0.219 208 A C 2.430 180.100 177.584 0.144 0.000 1.169 208 A CA 1.734 53.910 52.037 0.231 0.000 0.635 208 A CB -1.125 18.085 19.000 0.349 0.000 0.810 208 A HN 0.296 nan 8.150 nan 0.000 0.446 209 A N -0.349 122.546 122.820 0.125 0.000 1.855 209 A HA -0.031 4.290 4.320 0.001 0.000 0.213 209 A C 2.459 180.068 177.584 0.041 0.000 1.195 209 A CA 2.306 54.384 52.037 0.069 0.000 0.610 209 A CB -1.337 17.712 19.000 0.082 0.000 0.837 209 A HN 0.747 nan 8.150 nan 0.000 0.444 210 T N -1.799 112.767 114.554 0.020 0.000 2.915 210 T HA 0.037 4.388 4.350 0.001 0.000 0.269 210 T C 1.496 176.183 174.700 -0.021 0.000 1.071 210 T CA 1.419 63.502 62.100 -0.028 0.000 1.132 210 T CB -0.347 68.460 68.868 -0.102 0.000 0.878 210 T HN 0.244 nan 8.240 nan 0.000 0.479 211 L N 0.348 121.578 121.223 0.011 0.000 2.607 211 L HA 0.317 4.658 4.340 0.001 0.000 0.228 211 L C 0.141 177.119 176.870 0.180 0.000 1.123 211 L CA -0.051 54.835 54.840 0.077 0.000 0.890 211 L CB -0.517 41.555 42.059 0.021 0.000 1.103 211 L HN 0.315 nan 8.230 nan 0.000 0.468 212 E N 0.130 120.393 120.200 0.105 0.000 2.414 212 E HA -0.203 4.147 4.350 0.001 0.000 0.173 212 E C -0.681 175.967 176.600 0.080 0.000 1.551 212 E CA -0.101 56.343 56.400 0.074 0.000 0.661 212 E CB -1.444 28.286 29.700 0.051 0.000 1.108 212 E HN 0.345 nan 8.360 nan 0.000 0.365 213 C N 2.103 121.452 119.300 0.081 0.000 2.355 213 C HA 0.423 4.884 4.460 0.001 0.000 0.332 213 C C -1.757 173.236 174.990 0.004 0.000 1.255 213 C CA -1.471 57.584 59.018 0.061 0.000 1.792 213 C CB 0.871 28.667 27.740 0.094 0.000 2.300 213 C HN 0.328 nan 8.230 nan 0.000 0.515 214 P HA 0.318 nan 4.420 nan 0.000 0.238 214 P C -0.658 176.605 177.300 -0.061 0.000 1.794 214 P CA 0.529 63.619 63.100 -0.017 0.000 1.088 214 P CB 0.065 31.750 31.700 -0.025 0.000 1.923 215 I N 2.540 123.043 120.570 -0.112 0.000 2.647 215 I HA 0.434 4.605 4.170 0.001 0.000 0.295 215 I C -1.032 174.909 176.117 -0.293 0.000 1.078 215 I CA -1.754 59.390 61.300 -0.261 0.000 1.048 215 I CB 2.248 39.965 38.000 -0.472 0.000 1.239 215 I HN -0.057 nan 8.210 nan 0.000 0.421 216 I N 7.263 127.678 120.570 -0.259 0.000 2.312 216 I HA 0.280 4.451 4.170 0.001 0.000 0.290 216 I C -1.031 174.957 176.117 -0.215 0.000 1.008 216 I CA -0.421 60.786 61.300 -0.155 0.000 1.226 216 I CB 0.883 38.842 38.000 -0.069 0.000 1.371 216 I HN 0.359 nan 8.210 nan 0.000 0.468 217 F N 6.509 126.485 119.950 0.044 0.000 2.424 217 F HA 0.288 4.815 4.527 0.001 0.000 0.356 217 F C -0.122 175.688 175.800 0.017 0.000 1.110 217 F CA -0.388 57.704 58.000 0.154 0.000 1.161 217 F CB 0.614 39.693 39.000 0.132 0.000 1.115 217 F HN 0.268 nan 8.300 nan 0.000 0.507 218 F N 4.797 124.698 119.950 -0.081 0.000 2.366 218 F HA 0.409 4.937 4.527 0.001 0.000 0.366 218 F C -0.488 174.971 175.800 -0.569 0.000 1.096 218 F CA -1.259 56.551 58.000 -0.317 0.000 1.060 218 F CB 0.456 39.148 39.000 -0.514 0.000 1.282 218 F HN 0.488 nan 8.300 nan 0.000 0.450 219 C N 7.288 126.193 119.300 -0.659 0.000 2.307 219 C HA 0.639 5.099 4.460 0.001 0.000 0.340 219 C C 0.022 174.837 174.990 -0.291 0.000 1.275 219 C CA -0.641 57.932 59.018 -0.742 0.000 1.811 219 C CB -0.254 27.197 27.740 -0.481 0.000 2.372 219 C HN 0.871 nan 8.230 nan 0.000 0.531 220 R N 4.455 124.915 120.500 -0.067 0.000 2.207 220 R HA 0.328 4.669 4.340 0.001 0.000 0.334 220 R C -0.396 175.938 176.300 0.057 0.000 1.013 220 R CA -0.156 55.987 56.100 0.072 0.000 0.858 220 R CB 0.465 30.888 30.300 0.206 0.000 1.094 220 R HN 0.664 nan 8.270 nan 0.000 0.457 221 N N 2.890 121.609 118.700 0.032 0.000 2.558 221 N HA 0.039 4.780 4.740 0.001 0.000 0.242 221 N C -0.654 174.902 175.510 0.078 0.000 0.979 221 N CA -0.533 52.561 53.050 0.073 0.000 0.931 221 N CB 0.847 39.368 38.487 0.057 0.000 1.122 221 N HN 0.586 nan 8.380 nan 0.000 0.508 222 N N 2.573 121.348 118.700 0.124 0.000 2.238 222 N HA 0.180 4.920 4.740 0.001 0.000 0.222 222 N C 1.009 176.651 175.510 0.219 0.000 1.133 222 N CA 0.181 53.322 53.050 0.152 0.000 0.854 222 N CB 0.097 38.689 38.487 0.175 0.000 1.041 222 N HN 0.588 nan 8.380 nan 0.000 0.510 223 G N -1.086 107.800 108.800 0.143 0.000 2.179 223 G HA2 -0.292 3.669 3.960 0.001 0.000 0.260 223 G HA3 -0.292 3.669 3.960 0.001 0.000 0.260 223 G C -0.574 174.171 174.900 -0.258 0.000 0.977 223 G CA 0.584 45.691 45.100 0.011 0.000 0.641 223 G HN 0.447 nan 8.290 nan 0.000 0.533 224 Y N -0.495 119.853 120.300 0.081 0.000 2.513 224 Y HA 0.618 5.169 4.550 0.001 0.000 0.340 224 Y C -0.015 175.935 175.900 0.083 0.000 1.055 224 Y CA -0.359 57.782 58.100 0.067 0.000 1.020 224 Y CB 2.249 40.751 38.460 0.070 0.000 1.301 224 Y HN 0.650 nan 8.280 nan 0.000 0.453 225 A N 4.418 127.369 122.820 0.219 0.000 2.363 225 A HA 0.754 5.075 4.320 0.001 0.000 0.296 225 A C 0.302 177.994 177.584 0.181 0.000 1.237 225 A CA -0.391 51.754 52.037 0.179 0.000 0.773 225 A CB -0.267 18.809 19.000 0.127 0.000 1.153 225 A HN 0.878 nan 8.150 nan 0.000 0.473 226 I N 0.677 121.354 120.570 0.177 0.000 4.904 226 I HA -0.466 3.705 4.170 0.001 0.000 0.038 226 I C 2.131 178.347 176.117 0.165 0.000 0.635 226 I CA 2.179 63.567 61.300 0.146 0.000 0.226 226 I CB -1.165 36.909 38.000 0.123 0.000 0.330 226 I HN 0.827 nan 8.210 nan 0.000 0.150 227 S N -0.431 115.360 115.700 0.151 0.000 2.556 227 S HA 0.137 4.608 4.470 0.001 0.000 0.216 227 S C 0.517 175.261 174.600 0.241 0.000 0.970 227 S CA 0.326 58.626 58.200 0.166 0.000 0.912 227 S CB 0.027 63.288 63.200 0.102 0.000 0.790 227 S HN 0.532 nan 8.310 nan 0.000 0.504 228 T N 6.113 120.787 114.554 0.200 0.000 2.727 228 T HA 0.405 4.755 4.350 0.001 0.000 0.298 228 T C -2.560 172.122 174.700 -0.029 0.000 0.942 228 T CA -1.273 60.880 62.100 0.089 0.000 0.997 228 T CB 1.294 70.190 68.868 0.047 0.000 0.917 228 T HN 0.325 nan 8.240 nan 0.000 0.487 229 P HA 0.142 nan 4.420 nan 0.000 0.274 229 P C 1.091 178.136 177.300 -0.425 0.000 1.246 229 P CA -0.401 62.334 63.100 -0.609 0.000 0.795 229 P CB 0.606 32.045 31.700 -0.436 0.000 1.006 230 T N -2.766 111.492 114.554 -0.493 0.000 2.962 230 T HA -0.135 4.215 4.350 0.001 0.000 0.270 230 T C 1.753 176.076 174.700 -0.628 0.000 1.088 230 T CA 1.480 63.230 62.100 -0.583 0.000 1.127 230 T CB -1.287 67.241 68.868 -0.567 0.000 0.883 230 T HN 0.514 nan 8.240 nan 0.000 0.493 231 S N 1.879 117.350 115.700 -0.382 0.000 2.440 231 S HA -0.117 4.353 4.470 0.001 0.000 0.238 231 S C 1.668 176.137 174.600 -0.219 0.000 1.010 231 S CA 0.972 59.014 58.200 -0.263 0.000 0.972 231 S CB -0.431 62.675 63.200 -0.156 0.000 0.774 231 S HN 0.715 nan 8.310 nan 0.000 0.501 232 E N -0.346 119.726 120.200 -0.215 0.000 2.481 232 E HA 0.156 4.506 4.350 0.001 0.000 0.198 232 E C 1.682 178.200 176.600 -0.136 0.000 1.027 232 E CA 0.019 56.338 56.400 -0.134 0.000 0.900 232 E CB 0.150 29.797 29.700 -0.088 0.000 0.993 232 E HN 0.437 nan 8.360 nan 0.000 0.482 233 Q N -0.107 119.549 119.800 -0.240 0.000 2.349 233 Q HA 0.043 4.384 4.340 0.001 0.000 0.209 233 Q C -0.573 175.401 176.000 -0.043 0.000 0.920 233 Q CA 0.661 56.371 55.803 -0.156 0.000 0.901 233 Q CB 0.495 29.120 28.738 -0.189 0.000 1.021 233 Q HN 0.242 nan 8.270 nan 0.000 0.519 234 Y N -4.616 115.675 120.300 -0.015 0.000 2.713 234 Y HA 0.644 5.195 4.550 0.001 0.000 0.335 234 Y C -0.306 175.586 175.900 -0.013 0.000 1.222 234 Y CA -1.195 56.899 58.100 -0.010 0.000 1.061 234 Y CB 0.446 38.909 38.460 0.004 0.000 1.314 234 Y HN -0.356 nan 8.280 nan 0.000 0.453 235 R N 0.522 121.187 120.500 0.275 0.000 2.531 235 R HA 0.353 4.693 4.340 0.001 0.000 0.316 235 R C 0.364 176.772 176.300 0.181 0.000 0.955 235 R CA 0.238 56.442 56.100 0.175 0.000 1.120 235 R CB 1.211 31.550 30.300 0.066 0.000 1.361 235 R HN 1.011 nan 8.270 nan 0.000 0.534 236 G N 0.306 109.223 108.800 0.194 0.000 2.525 236 G HA2 0.020 3.981 3.960 0.001 0.000 0.287 236 G HA3 0.020 3.981 3.960 0.001 0.000 0.287 236 G C -0.643 174.293 174.900 0.060 0.000 1.350 236 G CA -0.255 44.888 45.100 0.071 0.000 1.039 236 G HN -0.008 nan 8.290 nan 0.000 0.513 237 D N -0.102 120.290 120.400 -0.012 0.000 2.551 237 D HA 0.428 5.068 4.640 0.001 0.000 0.223 237 D C 1.285 177.509 176.300 -0.127 0.000 1.144 237 D CA 1.079 55.069 54.000 -0.017 0.000 1.025 237 D CB -0.683 40.111 40.800 -0.012 0.000 1.085 237 D HN 0.858 nan 8.370 nan 0.000 0.506 238 G N 2.329 110.963 108.800 -0.277 0.000 2.598 238 G HA2 -0.331 3.629 3.960 0.001 0.000 0.269 238 G HA3 -0.331 3.629 3.960 0.001 0.000 0.269 238 G C 0.811 175.378 174.900 -0.556 0.000 1.289 238 G CA 0.059 44.800 45.100 -0.599 0.000 0.926 238 G HN 0.387 nan 8.290 nan 0.000 0.567 239 I N 1.217 121.584 120.570 -0.338 0.000 2.584 239 I HA 0.171 4.342 4.170 0.001 0.000 0.255 239 I C 3.210 179.295 176.117 -0.053 0.000 1.145 239 I CA 1.887 63.110 61.300 -0.128 0.000 1.462 239 I CB -1.266 36.751 38.000 0.027 0.000 1.102 239 I HN 0.815 nan 8.210 nan 0.000 0.433 240 A N 0.690 123.460 122.820 -0.083 0.000 1.948 240 A HA -0.177 4.144 4.320 0.001 0.000 0.220 240 A C 2.440 179.993 177.584 -0.051 0.000 1.177 240 A CA 1.948 53.944 52.037 -0.070 0.000 0.636 240 A CB -0.965 17.991 19.000 -0.075 0.000 0.815 240 A HN 0.380 nan 8.150 nan 0.000 0.449 241 A N -0.613 122.173 122.820 -0.058 0.000 2.172 241 A HA -0.062 4.259 4.320 0.001 0.000 0.216 241 A C 2.107 179.680 177.584 -0.017 0.000 1.154 241 A CA 1.095 53.108 52.037 -0.040 0.000 0.701 241 A CB -0.393 18.580 19.000 -0.045 0.000 0.789 241 A HN 0.590 nan 8.150 nan 0.000 0.465 242 R N -0.782 119.730 120.500 0.019 0.000 2.153 242 R HA -0.021 4.320 4.340 0.001 0.000 0.218 242 R C 2.346 178.746 176.300 0.167 0.000 1.072 242 R CA 0.769 56.932 56.100 0.106 0.000 0.990 242 R CB -0.427 30.025 30.300 0.253 0.000 0.889 242 R HN 0.491 nan 8.270 nan 0.000 0.452 243 G N 2.426 111.273 108.800 0.077 0.000 2.459 243 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 243 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 243 G C -0.907 174.024 174.900 0.053 0.000 1.183 243 G CA 0.554 45.672 45.100 0.029 0.000 0.776 243 G HN 0.241 nan 8.290 nan 0.000 0.552 244 P HA -0.038 nan 4.420 nan 0.000 0.218 244 P C 2.013 179.293 177.300 -0.033 0.000 1.148 244 P CA 1.629 64.712 63.100 -0.027 0.000 0.822 244 P CB -0.351 31.326 31.700 -0.038 0.000 0.784 245 G N -2.007 106.754 108.800 -0.066 0.000 2.471 245 G HA2 -0.225 3.736 3.960 0.001 0.000 0.219 245 G HA3 -0.225 3.736 3.960 0.001 0.000 0.219 245 G C 0.736 175.501 174.900 -0.225 0.000 1.125 245 G CA 0.416 45.416 45.100 -0.168 0.000 0.775 245 G HN 0.285 nan 8.290 nan 0.000 0.548 246 Y N -0.106 120.193 120.300 -0.001 0.000 2.466 246 Y HA 0.342 4.893 4.550 0.001 0.000 0.272 246 Y C 2.028 177.909 175.900 -0.031 0.000 1.169 246 Y CA -0.128 57.972 58.100 0.000 0.000 1.285 246 Y CB 0.420 38.893 38.460 0.021 0.000 1.078 246 Y HN 0.236 nan 8.280 nan 0.000 0.523 247 G N 0.935 109.774 108.800 0.064 0.000 2.136 247 G HA2 -0.288 3.672 3.960 0.001 0.000 0.242 247 G HA3 -0.288 3.672 3.960 0.001 0.000 0.242 247 G C -0.064 174.811 174.900 -0.041 0.000 0.989 247 G CA -0.004 45.098 45.100 0.003 0.000 0.682 247 G HN 0.312 nan 8.290 nan 0.000 0.522 248 I N 1.624 122.167 120.570 -0.044 0.000 2.336 248 I HA 0.359 4.530 4.170 0.001 0.000 0.292 248 I C 0.952 176.944 176.117 -0.208 0.000 0.991 248 I CA -1.057 60.156 61.300 -0.145 0.000 1.227 248 I CB 1.185 39.106 38.000 -0.131 0.000 1.366 248 I HN -0.034 nan 8.210 nan 0.000 0.466 249 M N 4.699 124.068 119.600 -0.386 0.000 2.238 249 M HA 0.178 4.659 4.480 0.001 0.000 0.350 249 M C -0.125 176.056 176.300 -0.198 0.000 1.321 249 M CA 0.701 55.791 55.300 -0.349 0.000 1.097 249 M CB 0.187 32.383 32.600 -0.673 0.000 1.713 249 M HN 0.496 nan 8.290 nan 0.000 0.455 250 S N 3.628 119.277 115.700 -0.084 0.000 2.549 250 S HA 0.836 5.306 4.470 0.001 0.000 0.280 250 S C -0.814 173.766 174.600 -0.035 0.000 1.109 250 S CA -0.770 57.396 58.200 -0.057 0.000 0.905 250 S CB 2.784 65.939 63.200 -0.076 0.000 1.081 250 S HN 0.736 nan 8.310 nan 0.000 0.477 251 I N 1.270 121.811 120.570 -0.048 0.000 2.918 251 I HA 0.558 4.729 4.170 0.001 0.000 0.301 251 I C -1.346 174.727 176.117 -0.074 0.000 1.312 251 I CA -0.756 60.511 61.300 -0.054 0.000 1.007 251 I CB 2.005 39.970 38.000 -0.059 0.000 1.281 251 I HN 0.623 nan 8.210 nan 0.000 0.440 252 R N 5.483 125.956 120.500 -0.046 0.000 2.637 252 R HA 0.818 5.159 4.340 0.001 0.000 0.291 252 R C -1.685 174.619 176.300 0.008 0.000 0.963 252 R CA -0.516 55.554 56.100 -0.051 0.000 0.901 252 R CB 1.953 32.232 30.300 -0.035 0.000 1.160 252 R HN 0.494 nan 8.270 nan 0.000 0.457 253 V N -0.329 119.571 119.914 -0.022 0.000 3.102 253 V HA 0.459 4.579 4.120 0.001 0.000 0.312 253 V C -0.995 175.088 176.094 -0.020 0.000 1.135 253 V CA -1.093 61.232 62.300 0.042 0.000 1.022 253 V CB 1.936 33.809 31.823 0.082 0.000 1.056 253 V HN 0.787 nan 8.190 nan 0.000 0.436 254 D N 1.807 122.189 120.400 -0.031 0.000 2.336 254 D HA 0.373 5.014 4.640 0.001 0.000 0.249 254 D C 1.203 177.466 176.300 -0.062 0.000 1.213 254 D CA 0.718 54.679 54.000 -0.065 0.000 0.870 254 D CB 1.336 42.091 40.800 -0.074 0.000 1.076 254 D HN 0.917 nan 8.370 nan 0.000 0.483 255 G N 3.695 112.447 108.800 -0.079 0.000 2.598 255 G HA2 -0.198 3.762 3.960 0.001 0.000 0.215 255 G HA3 -0.198 3.762 3.960 0.001 0.000 0.215 255 G C 1.165 176.024 174.900 -0.069 0.000 1.131 255 G CA -0.101 44.971 45.100 -0.045 0.000 0.785 255 G HN 0.460 nan 8.290 nan 0.000 0.539 256 N N 0.739 119.381 118.700 -0.098 0.000 2.398 256 N HA 0.016 4.757 4.740 0.001 0.000 0.188 256 N C -0.405 175.070 175.510 -0.057 0.000 1.122 256 N CA 0.292 53.297 53.050 -0.074 0.000 0.866 256 N CB 0.523 38.989 38.487 -0.036 0.000 0.970 256 N HN 0.195 nan 8.380 nan 0.000 0.462 257 D N 0.870 121.228 120.400 -0.069 0.000 2.464 257 D HA 0.064 4.704 4.640 0.001 0.000 0.243 257 D C 1.485 177.716 176.300 -0.115 0.000 1.104 257 D CA -0.481 53.463 54.000 -0.093 0.000 0.883 257 D CB 1.161 41.908 40.800 -0.088 0.000 1.050 257 D HN -0.116 nan 8.370 nan 0.000 0.524 258 V N 2.081 121.862 119.914 -0.221 0.000 2.469 258 V HA -0.188 3.933 4.120 0.001 0.000 0.251 258 V C 1.790 177.794 176.094 -0.150 0.000 1.064 258 V CA 1.177 63.337 62.300 -0.232 0.000 1.066 258 V CB -1.080 30.523 31.823 -0.367 0.000 0.667 258 V HN 0.284 nan 8.190 nan 0.000 0.461 259 F N 1.791 121.699 119.950 -0.070 0.000 2.206 259 F HA 0.251 4.779 4.527 0.001 0.000 0.298 259 F C 2.726 178.538 175.800 0.020 0.000 1.090 259 F CA 0.885 58.850 58.000 -0.058 0.000 1.323 259 F CB -1.375 37.515 39.000 -0.183 0.000 1.028 259 F HN 0.240 nan 8.300 nan 0.000 0.492 260 A N 0.030 122.898 122.820 0.080 0.000 1.902 260 A HA -0.102 4.219 4.320 0.001 0.000 0.217 260 A C 2.412 180.109 177.584 0.188 0.000 1.181 260 A CA 1.858 53.878 52.037 -0.028 0.000 0.623 260 A CB -1.209 17.623 19.000 -0.280 0.000 0.818 260 A HN 0.162 nan 8.150 nan 0.000 0.443 261 V N -1.313 118.692 119.914 0.151 0.000 2.295 261 V HA -0.298 3.823 4.120 0.001 0.000 0.246 261 V C 2.348 178.573 176.094 0.218 0.000 1.049 261 V CA 2.168 64.590 62.300 0.204 0.000 1.024 261 V CB -1.081 30.854 31.823 0.186 0.000 0.648 261 V HN 0.721 nan 8.190 nan 0.000 0.447 262 Y N 1.846 122.206 120.300 0.099 0.000 2.097 262 Y HA -0.279 4.272 4.550 0.001 0.000 0.282 262 Y C 2.551 178.512 175.900 0.101 0.000 1.152 262 Y CA 2.257 60.408 58.100 0.085 0.000 1.136 262 Y CB -0.359 38.166 38.460 0.110 0.000 0.975 262 Y HN 0.279 nan 8.280 nan 0.000 0.498 263 N N 0.459 119.321 118.700 0.270 0.000 2.104 263 N HA -0.188 4.552 4.740 0.001 0.000 0.190 263 N C 1.939 177.463 175.510 0.024 0.000 1.024 263 N CA 1.647 54.798 53.050 0.169 0.000 0.853 263 N CB -0.843 37.853 38.487 0.348 0.000 1.008 263 N HN 0.555 nan 8.380 nan 0.000 0.424 264 A N -0.089 122.790 122.820 0.099 0.000 1.930 264 A HA -0.066 4.255 4.320 0.001 0.000 0.217 264 A C 2.320 179.861 177.584 -0.072 0.000 1.175 264 A CA 1.790 53.827 52.037 -0.000 0.000 0.627 264 A CB -0.900 18.139 19.000 0.064 0.000 0.815 264 A HN 0.299 nan 8.150 nan 0.000 0.443 265 T N -0.471 114.053 114.554 -0.050 0.000 2.857 265 T HA -0.081 4.269 4.350 0.001 0.000 0.266 265 T C 2.014 176.583 174.700 -0.218 0.000 1.048 265 T CA 1.702 63.753 62.100 -0.083 0.000 1.139 265 T CB -0.108 68.744 68.868 -0.027 0.000 0.874 265 T HN 0.512 nan 8.240 nan 0.000 0.455 266 K N 1.405 121.605 120.400 -0.333 0.000 2.057 266 K HA -0.093 4.227 4.320 0.001 0.000 0.206 266 K C 2.218 178.663 176.600 -0.259 0.000 1.050 266 K CA 1.383 57.454 56.287 -0.361 0.000 0.935 266 K CB -0.144 32.050 32.500 -0.511 0.000 0.715 266 K HN 0.186 nan 8.250 nan 0.000 0.439 267 E N -0.056 119.999 120.200 -0.241 0.000 2.072 267 E HA -0.020 4.331 4.350 0.001 0.000 0.190 267 E C 1.690 178.036 176.600 -0.425 0.000 0.982 267 E CA 1.386 57.632 56.400 -0.257 0.000 0.803 267 E CB -0.380 29.198 29.700 -0.203 0.000 0.755 267 E HN 0.328 nan 8.360 nan 0.000 0.453 268 A N 1.323 123.861 122.820 -0.469 0.000 1.908 268 A HA -0.229 4.092 4.320 0.001 0.000 0.218 268 A C 2.314 179.531 177.584 -0.612 0.000 1.181 268 A CA 1.817 53.386 52.037 -0.781 0.000 0.627 268 A CB -0.663 18.110 19.000 -0.377 0.000 0.818 268 A HN 0.235 nan 8.150 nan 0.000 0.445 269 R N -0.445 119.851 120.500 -0.340 0.000 2.073 269 R HA -0.138 4.203 4.340 0.001 0.000 0.234 269 R C 2.466 178.636 176.300 -0.218 0.000 1.134 269 R CA 1.626 57.589 56.100 -0.227 0.000 0.952 269 R CB -0.393 29.808 30.300 -0.165 0.000 0.850 269 R HN 0.587 nan 8.270 nan 0.000 0.433 270 R N 0.402 120.766 120.500 -0.227 0.000 2.083 270 R HA -0.142 4.198 4.340 0.001 0.000 0.237 270 R C 2.316 178.513 176.300 -0.171 0.000 1.137 270 R CA 1.862 57.861 56.100 -0.170 0.000 0.951 270 R CB -0.092 30.116 30.300 -0.153 0.000 0.851 270 R HN 0.238 nan 8.270 nan 0.000 0.434 271 R N -0.486 119.844 120.500 -0.284 0.000 2.093 271 R HA 0.033 4.374 4.340 0.001 0.000 0.224 271 R C 2.339 178.614 176.300 -0.042 0.000 1.101 271 R CA 0.927 56.913 56.100 -0.190 0.000 0.979 271 R CB -0.195 29.933 30.300 -0.287 0.000 0.877 271 R HN 0.247 nan 8.270 nan 0.000 0.441 272 A N 0.837 123.571 122.820 -0.144 0.000 1.902 272 A HA -0.119 4.201 4.320 0.001 0.000 0.217 272 A C 2.288 179.889 177.584 0.030 0.000 1.181 272 A CA 1.422 53.519 52.037 0.099 0.000 0.623 272 A CB -0.450 18.583 19.000 0.055 0.000 0.818 272 A HN 0.109 nan 8.150 nan 0.000 0.443 273 V N -0.601 119.292 119.914 -0.034 0.000 2.488 273 V HA -0.112 4.009 4.120 0.001 0.000 0.246 273 V C 2.941 179.023 176.094 -0.020 0.000 1.046 273 V CA 1.649 63.930 62.300 -0.032 0.000 1.053 273 V CB -0.863 30.931 31.823 -0.048 0.000 0.679 273 V HN 0.602 nan 8.190 nan 0.000 0.458 274 A N -0.223 122.586 122.820 -0.019 0.000 1.929 274 A HA -0.124 4.197 4.320 0.001 0.000 0.216 274 A C 2.046 179.635 177.584 0.009 0.000 1.176 274 A CA 1.474 53.505 52.037 -0.010 0.000 0.628 274 A CB -0.200 18.791 19.000 -0.015 0.000 0.816 274 A HN 0.614 nan 8.150 nan 0.000 0.444 275 E N -1.151 119.070 120.200 0.036 0.000 2.473 275 E HA 0.099 4.450 4.350 0.001 0.000 0.204 275 E C -0.597 176.026 176.600 0.039 0.000 0.994 275 E CA -0.131 56.299 56.400 0.049 0.000 0.945 275 E CB 0.049 29.805 29.700 0.093 0.000 0.990 275 E HN 0.665 nan 8.360 nan 0.000 0.493 276 N N 2.480 121.201 118.700 0.036 0.000 2.696 276 N HA -0.223 4.518 4.740 0.001 0.000 0.256 276 N C -0.980 174.551 175.510 0.035 0.000 1.031 276 N CA 0.637 53.700 53.050 0.021 0.000 0.730 276 N CB -0.793 37.690 38.487 -0.007 0.000 0.894 276 N HN 0.347 nan 8.380 nan 0.000 0.544 277 Q N -1.466 118.376 119.800 0.070 0.000 2.379 277 Q HA 0.650 4.990 4.340 0.001 0.000 0.278 277 Q C -3.251 172.769 176.000 0.034 0.000 1.068 277 Q CA -2.055 53.760 55.803 0.021 0.000 0.816 277 Q CB 3.056 31.767 28.738 -0.044 0.000 1.387 277 Q HN -0.123 nan 8.270 nan 0.000 0.413 278 P HA 0.233 nan 4.420 nan 0.000 0.274 278 P C -1.250 175.920 177.300 -0.216 0.000 1.231 278 P CA -0.036 63.034 63.100 -0.050 0.000 0.790 278 P CB 0.431 32.150 31.700 0.031 0.000 0.951 279 F N 0.889 120.801 119.950 -0.063 0.000 2.551 279 F HA 0.452 4.980 4.527 0.001 0.000 0.316 279 F C -0.047 175.746 175.800 -0.011 0.000 1.089 279 F CA -0.950 57.023 58.000 -0.046 0.000 0.915 279 F CB 1.880 40.836 39.000 -0.073 0.000 1.186 279 F HN 0.070 nan 8.300 nan 0.000 0.456 280 L N 4.600 125.868 121.223 0.075 0.000 2.333 280 L HA 0.693 5.033 4.340 0.001 0.000 0.280 280 L C -1.332 175.506 176.870 -0.054 0.000 1.004 280 L CA -0.354 54.492 54.840 0.009 0.000 0.820 280 L CB 1.023 42.991 42.059 -0.152 0.000 1.247 280 L HN 0.487 nan 8.230 nan 0.000 0.416 281 I N 4.474 124.952 120.570 -0.153 0.000 2.362 281 I HA 0.392 4.562 4.170 0.001 0.000 0.289 281 I C -0.388 175.429 176.117 -0.500 0.000 0.994 281 I CA -0.450 60.653 61.300 -0.330 0.000 1.158 281 I CB 1.804 39.512 38.000 -0.488 0.000 1.315 281 I HN 0.648 nan 8.210 nan 0.000 0.451 282 E N 6.149 126.137 120.200 -0.352 0.000 2.113 282 E HA 0.625 4.976 4.350 0.001 0.000 0.273 282 E C -1.049 175.360 176.600 -0.318 0.000 0.924 282 E CA -0.705 55.498 56.400 -0.327 0.000 0.764 282 E CB 1.395 30.989 29.700 -0.176 0.000 1.104 282 E HN 0.711 nan 8.360 nan 0.000 0.406 283 A N 6.146 128.737 122.820 -0.382 0.000 2.260 283 A HA 0.448 4.768 4.320 0.001 0.000 0.314 283 A C -0.291 177.229 177.584 -0.106 0.000 1.257 283 A CA -0.774 51.132 52.037 -0.219 0.000 0.871 283 A CB 0.563 19.474 19.000 -0.149 0.000 1.166 283 A HN 0.635 nan 8.150 nan 0.000 0.522 284 M N 3.323 122.866 119.600 -0.095 0.000 2.120 284 M HA 0.335 4.816 4.480 0.001 0.000 0.354 284 M C 0.519 176.721 176.300 -0.164 0.000 1.287 284 M CA 0.148 55.389 55.300 -0.099 0.000 1.103 284 M CB -0.033 32.511 32.600 -0.095 0.000 1.623 284 M HN 0.848 nan 8.290 nan 0.000 0.471 285 T N 0.027 114.489 114.554 -0.153 0.000 2.831 285 T HA 0.756 5.107 4.350 0.001 0.000 0.287 285 T C -0.831 173.713 174.700 -0.261 0.000 1.070 285 T CA -0.699 61.258 62.100 -0.238 0.000 1.010 285 T CB 1.305 70.140 68.868 -0.055 0.000 1.264 285 T HN 0.380 nan 8.240 nan 0.000 0.532 286 Y N -0.057 120.282 120.300 0.064 0.000 2.419 286 Y HA 0.646 5.197 4.550 0.001 0.000 0.328 286 Y C 1.133 177.090 175.900 0.094 0.000 1.162 286 Y CA -1.445 56.704 58.100 0.083 0.000 1.174 286 Y CB 0.995 39.492 38.460 0.062 0.000 1.228 286 Y HN 0.574 nan 8.280 nan 0.000 0.473 314 H N 0.998 120.157 119.070 0.148 0.000 2.821 314 H HA 0.406 4.963 4.556 0.001 0.000 0.373 314 H C -2.035 173.352 175.328 0.097 0.000 1.165 314 H CA -1.629 54.497 56.048 0.131 0.000 1.154 314 H CB 2.731 32.544 29.762 0.085 0.000 1.765 314 H HN -0.099 nan 8.280 nan 0.000 0.549 315 P HA -0.087 nan 4.420 nan 0.000 0.218 315 P C 1.626 179.043 177.300 0.194 0.000 1.149 315 P CA 0.980 64.093 63.100 0.021 0.000 0.817 315 P CB 0.752 32.397 31.700 -0.091 0.000 0.785 316 I N -0.234 120.640 120.570 0.507 0.000 2.233 316 I HA -0.183 3.988 4.170 0.001 0.000 0.243 316 I C 2.478 178.735 176.117 0.233 0.000 1.093 316 I CA 1.333 62.811 61.300 0.298 0.000 1.380 316 I CB -0.739 37.356 38.000 0.157 0.000 1.067 316 I HN -0.067 nan 8.210 nan 0.000 0.413 317 S N 0.333 116.145 115.700 0.186 0.000 2.370 317 S HA -0.241 4.230 4.470 0.001 0.000 0.226 317 S C 2.074 176.666 174.600 -0.013 0.000 1.033 317 S CA 1.433 59.649 58.200 0.026 0.000 1.011 317 S CB -0.376 62.888 63.200 0.106 0.000 0.852 317 S HN 0.343 nan 8.310 nan 0.000 0.457 318 R N 0.367 120.960 120.500 0.155 0.000 2.066 318 R HA -0.041 4.299 4.340 0.001 0.000 0.232 318 R C 2.296 178.676 176.300 0.133 0.000 1.131 318 R CA 1.137 57.356 56.100 0.199 0.000 0.955 318 R CB -0.400 29.984 30.300 0.139 0.000 0.851 318 R HN 0.309 nan 8.270 nan 0.000 0.432 319 L N 1.409 122.672 121.223 0.066 0.000 2.093 319 L HA -0.130 4.210 4.340 0.001 0.000 0.208 319 L C 2.438 179.312 176.870 0.007 0.000 1.085 319 L CA 1.683 56.542 54.840 0.032 0.000 0.755 319 L CB -0.636 41.437 42.059 0.022 0.000 0.904 319 L HN 0.128 nan 8.230 nan 0.000 0.435 320 R N -1.463 119.000 120.500 -0.062 0.000 2.083 320 R HA -0.217 4.124 4.340 0.001 0.000 0.237 320 R C 2.330 178.551 176.300 -0.132 0.000 1.137 320 R CA 1.819 57.766 56.100 -0.255 0.000 0.951 320 R CB -0.428 29.788 30.300 -0.140 0.000 0.851 320 R HN 0.524 nan 8.270 nan 0.000 0.434 321 H N -0.942 118.164 119.070 0.061 0.000 2.352 321 H HA -0.208 4.349 4.556 0.001 0.000 0.299 321 H C 1.866 177.217 175.328 0.039 0.000 1.097 321 H CA 1.826 57.907 56.048 0.055 0.000 1.311 321 H CB -0.805 28.999 29.762 0.070 0.000 1.377 321 H HN 0.362 nan 8.280 nan 0.000 0.504 322 Y N 1.574 121.927 120.300 0.088 0.000 2.097 322 Y HA -0.228 4.322 4.550 0.001 0.000 0.282 322 Y C 2.624 178.494 175.900 -0.050 0.000 1.152 322 Y CA 1.331 59.450 58.100 0.032 0.000 1.136 322 Y CB -0.700 37.820 38.460 0.099 0.000 0.975 322 Y HN 0.007 nan 8.280 nan 0.000 0.498 323 L N -0.386 120.814 121.223 -0.038 0.000 2.021 323 L HA -0.320 4.021 4.340 0.001 0.000 0.215 323 L C 2.518 179.330 176.870 -0.097 0.000 1.074 323 L CA 1.782 56.582 54.840 -0.067 0.000 0.760 323 L CB -0.912 41.098 42.059 -0.081 0.000 0.889 323 L HN 0.325 nan 8.230 nan 0.000 0.433 324 L N -0.331 120.873 121.223 -0.031 0.000 2.042 324 L HA -0.242 4.099 4.340 0.001 0.000 0.210 324 L C 2.905 179.707 176.870 -0.112 0.000 1.076 324 L CA 1.718 56.558 54.840 0.001 0.000 0.749 324 L CB -0.767 41.328 42.059 0.060 0.000 0.893 324 L HN 0.421 nan 8.230 nan 0.000 0.432 325 S N -0.961 114.614 115.700 -0.210 0.000 2.399 325 S HA -0.202 4.269 4.470 0.001 0.000 0.231 325 S C 1.918 176.278 174.600 -0.399 0.000 1.022 325 S CA 0.880 58.920 58.200 -0.266 0.000 0.983 325 S CB -0.230 62.800 63.200 -0.284 0.000 0.803 325 S HN 0.408 nan 8.310 nan 0.000 0.480 326 Q N 0.679 120.086 119.800 -0.656 0.000 2.432 326 Q HA 0.235 4.575 4.340 0.001 0.000 0.205 326 Q C 1.551 177.243 176.000 -0.514 0.000 0.945 326 Q CA 0.763 56.018 55.803 -0.913 0.000 0.924 326 Q CB -0.520 27.012 28.738 -2.011 0.000 1.016 326 Q HN 0.852 nan 8.270 nan 0.000 0.503 327 G N 0.031 108.705 108.800 -0.210 0.000 2.160 327 G HA2 -0.192 3.768 3.960 0.001 0.000 0.244 327 G HA3 -0.192 3.768 3.960 0.001 0.000 0.244 327 G C 0.001 175.086 174.900 0.308 0.000 1.022 327 G CA 0.297 45.425 45.100 0.047 0.000 0.741 327 G HN 0.303 nan 8.290 nan 0.000 0.508 328 W N -0.754 120.565 121.300 0.031 0.000 3.220 328 W HA 0.576 5.237 4.660 0.002 0.000 0.328 328 W C 0.967 177.640 176.519 0.258 0.000 1.205 328 W CA -1.133 56.266 57.345 0.090 0.000 1.773 328 W CB -0.155 29.331 29.460 0.043 0.000 1.086 328 W HN 0.366 nan 8.180 nan 0.000 0.622 329 W N 1.400 122.761 121.300 0.102 0.000 3.059 329 W HA 0.296 4.956 4.660 0.001 0.000 0.329 329 W C -1.560 174.960 176.519 0.001 0.000 1.246 329 W CA -0.645 56.705 57.345 0.009 0.000 1.190 329 W CB 1.509 30.914 29.460 -0.092 0.000 1.423 329 W HN -0.107 nan 8.180 nan 0.000 0.571 330 D N -0.436 119.795 120.400 -0.283 0.000 2.713 330 D HA 0.126 4.767 4.640 0.001 0.000 0.306 330 D C 0.235 176.351 176.300 -0.307 0.000 1.299 330 D CA -0.441 53.449 54.000 -0.183 0.000 0.823 330 D CB 0.704 41.428 40.800 -0.127 0.000 1.353 330 D HN 0.201 nan 8.370 nan 0.000 0.447 331 E N -0.529 119.583 120.200 -0.146 0.000 2.150 331 E HA -0.129 4.222 4.350 0.001 0.000 0.193 331 E C 1.267 177.777 176.600 -0.150 0.000 0.985 331 E CA 0.932 57.269 56.400 -0.104 0.000 0.814 331 E CB 0.149 29.825 29.700 -0.039 0.000 0.752 331 E HN 0.436 nan 8.360 nan 0.000 0.466 332 E N 0.622 120.716 120.200 -0.177 0.000 2.072 332 E HA -0.163 4.187 4.350 0.001 0.000 0.191 332 E C 2.103 178.557 176.600 -0.244 0.000 0.985 332 E CA 0.772 57.075 56.400 -0.162 0.000 0.801 332 E CB -0.122 29.500 29.700 -0.130 0.000 0.750 332 E HN 0.400 nan 8.360 nan 0.000 0.452 333 Q N 0.342 119.858 119.800 -0.474 0.000 2.124 333 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 333 Q C 2.116 177.728 176.000 -0.648 0.000 0.977 333 Q CA 1.442 56.788 55.803 -0.762 0.000 0.850 333 Q CB -0.088 27.791 28.738 -1.433 0.000 0.901 333 Q HN 0.127 nan 8.270 nan 0.000 0.429 334 E N 1.349 121.224 120.200 -0.541 0.000 2.051 334 E HA -0.185 4.166 4.350 0.001 0.000 0.192 334 E C 1.565 178.287 176.600 0.203 0.000 0.991 334 E CA 1.484 57.983 56.400 0.165 0.000 0.799 334 E CB 0.110 29.958 29.700 0.246 0.000 0.748 334 E HN 0.158 nan 8.360 nan 0.000 0.449 335 K N -0.195 120.233 120.400 0.046 0.000 2.026 335 K HA -0.088 4.233 4.320 0.001 0.000 0.208 335 K C 2.191 178.829 176.600 0.062 0.000 1.048 335 K CA 1.309 57.623 56.287 0.046 0.000 0.929 335 K CB -0.283 32.217 32.500 0.000 0.000 0.713 335 K HN 0.217 nan 8.250 nan 0.000 0.439 336 A N 1.102 123.953 122.820 0.052 0.000 1.933 336 A HA -0.191 4.130 4.320 0.001 0.000 0.218 336 A C 1.927 179.627 177.584 0.194 0.000 1.175 336 A CA 1.131 53.217 52.037 0.082 0.000 0.628 336 A CB -0.880 18.152 19.000 0.053 0.000 0.814 336 A HN 0.666 nan 8.150 nan 0.000 0.444 337 W N 0.492 121.851 121.300 0.098 0.000 2.418 337 W HA -0.107 4.553 4.660 0.001 0.000 0.292 337 W C 2.249 178.851 176.519 0.139 0.000 1.213 337 W CA 1.268 58.728 57.345 0.192 0.000 1.283 337 W CB -0.214 29.511 29.460 0.442 0.000 1.119 337 W HN 0.340 nan 8.180 nan 0.000 0.542 338 R N 1.145 121.663 120.500 0.030 0.000 2.091 338 R HA -0.237 4.104 4.340 0.001 0.000 0.238 338 R C 2.432 178.622 176.300 -0.184 0.000 1.136 338 R CA 2.190 58.213 56.100 -0.128 0.000 0.959 338 R CB -0.471 29.837 30.300 0.013 0.000 0.856 338 R HN 0.095 nan 8.270 nan 0.000 0.437 339 K N 0.441 120.784 120.400 -0.094 0.000 2.002 339 K HA -0.259 4.062 4.320 0.001 0.000 0.209 339 K C 2.183 178.705 176.600 -0.130 0.000 1.048 339 K CA 2.004 58.239 56.287 -0.087 0.000 0.930 339 K CB -0.157 32.324 32.500 -0.033 0.000 0.714 339 K HN 0.193 nan 8.250 nan 0.000 0.438 340 Q N 0.485 120.207 119.800 -0.130 0.000 2.084 340 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 340 Q C 1.884 177.702 176.000 -0.302 0.000 0.978 340 Q CA 2.225 57.946 55.803 -0.137 0.000 0.844 340 Q CB -0.106 28.634 28.738 0.003 0.000 0.898 340 Q HN 0.476 nan 8.270 nan 0.000 0.426 341 S N 0.030 115.359 115.700 -0.618 0.000 2.383 341 S HA -0.153 4.317 4.470 0.001 0.000 0.227 341 S C 2.000 176.393 174.600 -0.347 0.000 1.026 341 S CA 0.842 58.633 58.200 -0.682 0.000 0.981 341 S CB -0.427 62.061 63.200 -1.187 0.000 0.818 341 S HN 0.378 nan 8.310 nan 0.000 0.472 342 R N 1.506 121.836 120.500 -0.283 0.000 2.083 342 R HA -0.071 4.270 4.340 0.001 0.000 0.237 342 R C 2.754 178.973 176.300 -0.135 0.000 1.137 342 R CA 1.540 57.531 56.100 -0.181 0.000 0.951 342 R CB -0.330 29.881 30.300 -0.149 0.000 0.851 342 R HN 0.542 nan 8.270 nan 0.000 0.434 343 R N 0.887 121.314 120.500 -0.122 0.000 2.083 343 R HA -0.165 4.175 4.340 0.001 0.000 0.237 343 R C 2.011 178.273 176.300 -0.063 0.000 1.137 343 R CA 1.985 58.038 56.100 -0.079 0.000 0.951 343 R CB -0.063 30.199 30.300 -0.062 0.000 0.851 343 R HN 0.153 nan 8.270 nan 0.000 0.434 344 K N -0.254 120.098 120.400 -0.081 0.000 2.057 344 K HA -0.087 4.234 4.320 0.001 0.000 0.207 344 K C 2.034 178.616 176.600 -0.029 0.000 1.049 344 K CA 1.552 57.810 56.287 -0.048 0.000 0.931 344 K CB -0.008 32.462 32.500 -0.051 0.000 0.714 344 K HN 0.063 nan 8.250 nan 0.000 0.440 345 V N 1.267 121.149 119.914 -0.053 0.000 2.358 345 V HA -0.224 3.896 4.120 0.001 0.000 0.246 345 V C 2.271 178.378 176.094 0.022 0.000 1.047 345 V CA 1.352 63.641 62.300 -0.018 0.000 1.035 345 V CB -0.295 31.490 31.823 -0.063 0.000 0.658 345 V HN 0.340 nan 8.190 nan 0.000 0.452 346 M N -0.359 119.230 119.600 -0.018 0.000 2.175 346 M HA -0.140 4.341 4.480 0.001 0.000 0.264 346 M C 2.169 178.515 176.300 0.077 0.000 1.063 346 M CA 1.537 56.847 55.300 0.017 0.000 1.119 346 M CB -1.130 31.444 32.600 -0.044 0.000 1.377 346 M HN 0.541 nan 8.290 nan 0.000 0.415 347 E N 0.207 120.426 120.200 0.031 0.000 2.051 347 E HA -0.168 4.183 4.350 0.001 0.000 0.192 347 E C 1.946 178.562 176.600 0.026 0.000 0.991 347 E CA 1.496 57.908 56.400 0.021 0.000 0.799 347 E CB 0.085 29.785 29.700 0.000 0.000 0.748 347 E HN 0.404 nan 8.360 nan 0.000 0.449 348 A N 0.630 123.473 122.820 0.039 0.000 1.902 348 A HA -0.164 4.157 4.320 0.001 0.000 0.217 348 A C 2.019 179.626 177.584 0.038 0.000 1.181 348 A CA 1.287 53.343 52.037 0.031 0.000 0.623 348 A CB -0.942 18.090 19.000 0.052 0.000 0.818 348 A HN 0.513 nan 8.150 nan 0.000 0.443 349 F N 0.971 120.887 119.950 -0.056 0.000 2.069 349 F HA -0.204 4.324 4.527 0.001 0.000 0.298 349 F C 2.252 177.960 175.800 -0.155 0.000 1.113 349 F CA 2.384 60.338 58.000 -0.077 0.000 1.214 349 F CB -0.313 38.661 39.000 -0.043 0.000 0.978 349 F HN 0.369 nan 8.300 nan 0.000 0.474 350 E N -0.394 119.833 120.200 0.045 0.000 2.077 350 E HA -0.320 4.030 4.350 0.001 0.000 0.193 350 E C 2.195 178.679 176.600 -0.194 0.000 0.989 350 E CA 1.421 57.775 56.400 -0.077 0.000 0.800 350 E CB -0.420 29.299 29.700 0.032 0.000 0.746 350 E HN 0.619 nan 8.360 nan 0.000 0.452 351 Q N 0.804 120.517 119.800 -0.145 0.000 2.124 351 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 351 Q C 2.114 177.972 176.000 -0.237 0.000 0.977 351 Q CA 1.516 57.228 55.803 -0.151 0.000 0.850 351 Q CB -0.144 28.536 28.738 -0.096 0.000 0.901 351 Q HN 0.230 nan 8.270 nan 0.000 0.429 352 A N 0.971 123.593 122.820 -0.330 0.000 1.930 352 A HA -0.185 4.136 4.320 0.001 0.000 0.217 352 A C 1.813 178.967 177.584 -0.717 0.000 1.175 352 A CA 1.517 53.285 52.037 -0.449 0.000 0.627 352 A CB -0.465 18.261 19.000 -0.457 0.000 0.815 352 A HN 0.551 nan 8.150 nan 0.000 0.443 353 E N -0.664 118.994 120.200 -0.904 0.000 2.208 353 E HA -0.117 4.234 4.350 0.001 0.000 0.193 353 E C 2.030 178.382 176.600 -0.413 0.000 0.988 353 E CA 0.700 56.593 56.400 -0.845 0.000 0.828 353 E CB -0.060 29.192 29.700 -0.747 0.000 0.763 353 E HN 0.562 nan 8.360 nan 0.000 0.478 354 R N 0.701 121.015 120.500 -0.309 0.000 2.246 354 R HA 0.089 4.430 4.340 0.001 0.000 0.199 354 R C 0.502 176.717 176.300 -0.141 0.000 0.984 354 R CA 0.148 56.140 56.100 -0.180 0.000 1.015 354 R CB 0.236 30.455 30.300 -0.135 0.000 0.930 354 R HN -0.096 nan 8.270 nan 0.000 0.475 355 K N 2.135 122.436 120.400 -0.164 0.000 2.295 355 K HA 0.109 4.430 4.320 0.001 0.000 0.270 355 K C -2.162 174.374 176.600 -0.106 0.000 1.011 355 K CA -1.545 54.673 56.287 -0.115 0.000 0.953 355 K CB 0.340 32.773 32.500 -0.111 0.000 0.956 355 K HN -0.097 nan 8.250 nan 0.000 0.477 356 P HA 0.032 nan 4.420 nan 0.000 0.272 356 P C -0.839 176.381 177.300 -0.134 0.000 1.240 356 P CA -0.240 62.807 63.100 -0.087 0.000 0.791 356 P CB 0.594 32.273 31.700 -0.035 0.000 0.978 357 K N 0.774 121.012 120.400 -0.270 0.000 2.102 357 K HA 0.424 4.744 4.320 0.001 0.000 0.244 357 K C -2.176 174.374 176.600 -0.083 0.000 1.021 357 K CA -2.169 53.927 56.287 -0.318 0.000 0.913 357 K CB -1.062 30.907 32.500 -0.886 0.000 1.062 357 K HN 0.301 nan 8.250 nan 0.000 0.485 358 P HA 0.040 nan 4.420 nan 0.000 0.274 358 P C -0.225 177.231 177.300 0.259 0.000 1.246 358 P CA -0.455 62.724 63.100 0.132 0.000 0.795 358 P CB 0.381 32.155 31.700 0.123 0.000 1.006 359 N N 2.097 120.912 118.700 0.191 0.000 2.412 359 N HA -0.023 4.717 4.740 0.001 0.000 0.258 359 N C -1.526 174.096 175.510 0.187 0.000 1.236 359 N CA -1.083 52.083 53.050 0.192 0.000 0.882 359 N CB -0.002 38.559 38.487 0.125 0.000 1.066 359 N HN 0.173 nan 8.380 nan 0.000 0.465 360 P HA -0.090 nan 4.420 nan 0.000 0.220 360 P C 0.767 178.137 177.300 0.117 0.000 1.144 360 P CA 0.862 63.990 63.100 0.046 0.000 0.800 360 P CB 0.287 31.926 31.700 -0.103 0.000 0.772 361 N N -0.571 118.226 118.700 0.162 0.000 2.272 361 N HA -0.112 4.628 4.740 0.001 0.000 0.185 361 N C 1.501 177.165 175.510 0.258 0.000 1.014 361 N CA 0.911 54.110 53.050 0.249 0.000 0.870 361 N CB -0.699 37.876 38.487 0.146 0.000 0.975 361 N HN 0.253 nan 8.380 nan 0.000 0.433 362 L N 0.864 122.180 121.223 0.155 0.000 2.549 362 L HA -0.079 4.262 4.340 0.001 0.000 0.229 362 L C 1.824 178.730 176.870 0.060 0.000 1.158 362 L CA 0.186 55.095 54.840 0.115 0.000 0.842 362 L CB -0.366 41.752 42.059 0.098 0.000 0.952 362 L HN 0.185 nan 8.230 nan 0.000 0.452 363 L N -3.598 117.616 121.223 -0.014 0.000 2.362 363 L HA -0.041 4.300 4.340 0.001 0.000 0.219 363 L C 1.640 178.309 176.870 -0.336 0.000 1.134 363 L CA 1.687 56.392 54.840 -0.226 0.000 0.807 363 L CB -0.723 41.115 42.059 -0.368 0.000 0.927 363 L HN -0.047 nan 8.230 nan 0.000 0.447 364 F N -0.194 119.769 119.950 0.021 0.000 2.678 364 F HA 0.311 4.839 4.527 0.001 0.000 0.291 364 F C 1.691 177.513 175.800 0.037 0.000 1.123 364 F CA 0.096 58.112 58.000 0.026 0.000 1.395 364 F CB -0.318 38.696 39.000 0.023 0.000 1.121 364 F HN 0.152 nan 8.300 nan 0.000 0.592 365 S N -0.578 115.237 115.700 0.192 0.000 2.652 365 S HA 0.249 4.719 4.470 0.001 0.000 0.270 365 S C 0.210 174.863 174.600 0.087 0.000 1.243 365 S CA -0.437 57.845 58.200 0.137 0.000 0.999 365 S CB 1.203 64.471 63.200 0.113 0.000 0.973 365 S HN 0.330 nan 8.310 nan 0.000 0.544 366 D N -0.980 119.469 120.400 0.081 0.000 3.028 366 D HA -0.139 4.502 4.640 0.001 0.000 0.207 366 D C 0.924 177.227 176.300 0.005 0.000 1.100 366 D CA 0.930 54.960 54.000 0.049 0.000 0.995 366 D CB -1.916 38.905 40.800 0.036 0.000 1.108 366 D HN 0.331 nan 8.370 nan 0.000 0.421 367 V N -0.833 119.086 119.914 0.008 0.000 2.307 367 V HA -0.152 3.969 4.120 0.001 0.000 0.245 367 V C 1.212 177.111 176.094 -0.326 0.000 1.045 367 V CA 1.724 63.951 62.300 -0.122 0.000 1.024 367 V CB -0.250 31.548 31.823 -0.043 0.000 0.651 367 V HN 0.220 nan 8.190 nan 0.000 0.449 368 Y N -1.484 118.842 120.300 0.042 0.000 2.631 368 Y HA 0.319 4.870 4.550 0.001 0.000 0.328 368 Y C 1.426 177.348 175.900 0.037 0.000 1.118 368 Y CA -0.550 57.572 58.100 0.036 0.000 1.206 368 Y CB 0.960 39.441 38.460 0.034 0.000 1.337 368 Y HN -0.176 nan 8.280 nan 0.000 0.515 369 Q N 0.576 120.496 119.800 0.199 0.000 2.020 369 Q HA -0.170 4.170 4.340 0.001 0.000 0.202 369 Q C 0.068 176.140 176.000 0.120 0.000 0.982 369 Q CA 1.446 57.322 55.803 0.122 0.000 0.838 369 Q CB 0.116 28.911 28.738 0.095 0.000 0.899 369 Q HN 0.697 nan 8.270 nan 0.000 0.423 370 E N 0.465 120.740 120.200 0.126 0.000 2.197 370 E HA 0.200 4.551 4.350 0.001 0.000 0.281 370 E C -1.085 175.583 176.600 0.113 0.000 0.995 370 E CA -0.353 56.102 56.400 0.091 0.000 0.808 370 E CB 0.955 30.684 29.700 0.048 0.000 1.093 370 E HN 0.212 nan 8.360 nan 0.000 0.394 371 M N 6.129 125.788 119.600 0.098 0.000 2.251 371 M HA 0.186 4.666 4.480 0.001 0.000 0.346 371 M C -2.228 174.097 176.300 0.042 0.000 1.499 371 M CA -1.559 53.806 55.300 0.109 0.000 1.128 371 M CB 0.796 33.452 32.600 0.095 0.000 1.809 371 M HN 0.298 nan 8.290 nan 0.000 0.464 372 P HA 0.014 nan 4.420 nan 0.000 0.267 372 P C -0.296 176.990 177.300 -0.023 0.000 1.200 372 P CA 0.059 63.126 63.100 -0.055 0.000 0.772 372 P CB 0.645 32.279 31.700 -0.110 0.000 0.855 373 A N 2.696 125.495 122.820 -0.036 0.000 1.917 373 A HA -0.262 4.058 4.320 0.001 0.000 0.219 373 A C 1.973 179.541 177.584 -0.027 0.000 1.182 373 A CA 1.553 53.572 52.037 -0.030 0.000 0.633 373 A CB -1.068 17.914 19.000 -0.031 0.000 0.819 373 A HN 0.528 nan 8.150 nan 0.000 0.448 374 Q N -1.184 118.604 119.800 -0.020 0.000 2.170 374 Q HA -0.127 4.213 4.340 0.001 0.000 0.203 374 Q C 2.061 178.065 176.000 0.008 0.000 0.976 374 Q CA 1.207 57.005 55.803 -0.007 0.000 0.858 374 Q CB -0.481 28.257 28.738 0.000 0.000 0.907 374 Q HN 0.586 nan 8.270 nan 0.000 0.433 375 L N 0.791 122.033 121.223 0.032 0.000 2.072 375 L HA -0.096 4.245 4.340 0.001 0.000 0.205 375 L C 2.478 179.321 176.870 -0.045 0.000 1.079 375 L CA 1.628 56.512 54.840 0.074 0.000 0.752 375 L CB -0.483 41.675 42.059 0.166 0.000 0.906 375 L HN 0.048 nan 8.230 nan 0.000 0.436 376 R N -0.316 120.146 120.500 -0.063 0.000 2.105 376 R HA -0.247 4.094 4.340 0.001 0.000 0.239 376 R C 2.412 178.606 176.300 -0.177 0.000 1.135 376 R CA 1.910 57.928 56.100 -0.137 0.000 0.967 376 R CB -0.224 30.031 30.300 -0.075 0.000 0.861 376 R HN 0.367 nan 8.270 nan 0.000 0.442 377 K N 0.261 120.595 120.400 -0.111 0.000 2.063 377 K HA -0.225 4.096 4.320 0.001 0.000 0.208 377 K C 2.025 178.544 176.600 -0.135 0.000 1.048 377 K CA 1.897 58.126 56.287 -0.097 0.000 0.928 377 K CB 0.015 32.484 32.500 -0.051 0.000 0.713 377 K HN 0.321 nan 8.250 nan 0.000 0.442 378 Q N 0.126 119.839 119.800 -0.145 0.000 2.119 378 Q HA -0.205 4.136 4.340 0.001 0.000 0.201 378 Q C 2.230 177.955 176.000 -0.457 0.000 0.972 378 Q CA 1.622 57.346 55.803 -0.132 0.000 0.847 378 Q CB -0.005 28.788 28.738 0.091 0.000 0.903 378 Q HN 0.436 nan 8.270 nan 0.000 0.433 379 Q N 0.960 120.165 119.800 -0.992 0.000 2.084 379 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 379 Q C 1.538 177.230 176.000 -0.513 0.000 0.978 379 Q CA 1.500 56.461 55.803 -1.404 0.000 0.844 379 Q CB 0.138 28.163 28.738 -1.189 0.000 0.898 379 Q HN 0.403 nan 8.270 nan 0.000 0.426 380 E N -0.190 119.821 120.200 -0.315 0.000 2.110 380 E HA -0.166 4.185 4.350 0.001 0.000 0.193 380 E C 2.064 178.604 176.600 -0.102 0.000 0.988 380 E CA 1.028 57.333 56.400 -0.159 0.000 0.804 380 E CB -0.127 29.505 29.700 -0.113 0.000 0.745 380 E HN 0.233 nan 8.360 nan 0.000 0.458 381 S N 0.895 116.535 115.700 -0.099 0.000 2.359 381 S HA -0.199 4.271 4.470 0.001 0.000 0.223 381 S C 2.004 176.611 174.600 0.011 0.000 1.039 381 S CA 1.230 59.412 58.200 -0.029 0.000 1.042 381 S CB -0.229 62.957 63.200 -0.024 0.000 0.915 381 S HN 0.223 nan 8.310 nan 0.000 0.439 382 L N 1.723 122.942 121.223 -0.007 0.000 2.046 382 L HA 0.072 4.412 4.340 0.001 0.000 0.208 382 L C 2.462 179.355 176.870 0.037 0.000 1.077 382 L CA 2.164 57.033 54.840 0.048 0.000 0.747 382 L CB -1.228 40.918 42.059 0.145 0.000 0.896 382 L HN 0.346 nan 8.230 nan 0.000 0.432 383 A N -0.460 122.354 122.820 -0.011 0.000 1.877 383 A HA -0.206 4.115 4.320 0.001 0.000 0.216 383 A C 2.430 180.017 177.584 0.005 0.000 1.186 383 A CA 1.718 53.747 52.037 -0.013 0.000 0.620 383 A CB -0.547 18.431 19.000 -0.036 0.000 0.822 383 A HN 0.492 nan 8.150 nan 0.000 0.443 384 R N -1.711 118.800 120.500 0.019 0.000 2.083 384 R HA -0.192 4.149 4.340 0.001 0.000 0.237 384 R C 2.264 178.613 176.300 0.083 0.000 1.137 384 R CA 1.786 57.908 56.100 0.037 0.000 0.951 384 R CB -0.603 29.723 30.300 0.044 0.000 0.851 384 R HN 0.789 nan 8.270 nan 0.000 0.434 385 H N 0.903 119.995 119.070 0.037 0.000 2.319 385 H HA -0.072 4.484 4.556 0.001 0.000 0.299 385 H C 1.931 177.317 175.328 0.095 0.000 1.092 385 H CA 1.752 57.870 56.048 0.116 0.000 1.302 385 H CB -0.205 29.577 29.762 0.033 0.000 1.373 385 H HN 0.064 nan 8.280 nan 0.000 0.497 386 L N -0.112 121.103 121.223 -0.014 0.000 2.201 386 L HA -0.167 4.174 4.340 0.001 0.000 0.212 386 L C 2.473 179.300 176.870 -0.072 0.000 1.105 386 L CA 0.732 55.508 54.840 -0.105 0.000 0.775 386 L CB -0.375 41.617 42.059 -0.112 0.000 0.913 386 L HN 0.352 nan 8.230 nan 0.000 0.440 387 Q N -0.334 119.431 119.800 -0.058 0.000 2.096 387 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 387 Q C 2.195 178.124 176.000 -0.119 0.000 0.982 387 Q CA 2.036 57.798 55.803 -0.068 0.000 0.850 387 Q CB -0.474 28.234 28.738 -0.051 0.000 0.901 387 Q HN 0.465 nan 8.270 nan 0.000 0.422 388 T N -0.875 113.567 114.554 -0.187 0.000 2.983 388 T HA -0.005 4.346 4.350 0.001 0.000 0.250 388 T C 0.713 175.118 174.700 -0.492 0.000 1.037 388 T CA 0.680 62.543 62.100 -0.394 0.000 1.142 388 T CB -0.050 68.486 68.868 -0.554 0.000 0.876 388 T HN 0.229 nan 8.240 nan 0.000 0.455 389 Y N 0.605 120.822 120.300 -0.138 0.000 2.636 389 Y HA 0.440 4.990 4.550 0.001 0.000 0.260 389 Y C 2.093 178.100 175.900 0.179 0.000 1.177 389 Y CA -1.004 57.119 58.100 0.038 0.000 1.209 389 Y CB -0.147 38.266 38.460 -0.079 0.000 1.166 389 Y HN 0.200 nan 8.280 nan 0.000 0.531 390 G N 0.956 109.835 108.800 0.132 0.000 2.462 390 G HA2 -0.313 3.647 3.960 0.001 0.000 0.220 390 G HA3 -0.313 3.647 3.960 0.001 0.000 0.220 390 G C 1.515 176.511 174.900 0.161 0.000 1.121 390 G CA 1.257 46.452 45.100 0.159 0.000 0.758 390 G HN 0.636 nan 8.290 nan 0.000 0.559 391 E N -0.102 120.080 120.200 -0.029 0.000 2.265 391 E HA -0.181 4.169 4.350 0.001 0.000 0.196 391 E C 1.405 177.887 176.600 -0.198 0.000 0.996 391 E CA 0.968 57.267 56.400 -0.169 0.000 0.832 391 E CB -0.452 29.056 29.700 -0.320 0.000 0.756 391 E HN 0.541 nan 8.360 nan 0.000 0.491 392 H N -0.834 118.298 119.070 0.104 0.000 2.539 392 H HA 0.151 4.708 4.556 0.001 0.000 0.269 392 H C -0.379 174.703 175.328 -0.409 0.000 0.980 392 H CA 0.303 56.276 56.048 -0.126 0.000 1.152 392 H CB -0.082 29.578 29.762 -0.171 0.000 1.407 392 H HN 0.189 nan 8.280 nan 0.000 0.564 393 Y N 0.874 121.237 120.300 0.105 0.000 2.509 393 Y HA 0.299 4.850 4.550 0.001 0.000 0.341 393 Y C -1.895 174.036 175.900 0.051 0.000 1.038 393 Y CA -3.126 55.018 58.100 0.072 0.000 1.089 393 Y CB 1.388 39.874 38.460 0.044 0.000 1.241 393 Y HN -0.104 nan 8.280 nan 0.000 0.468 394 P HA 0.155 nan 4.420 nan 0.000 0.220 394 P C 0.231 177.671 177.300 0.233 0.000 1.806 394 P CA 0.336 63.571 63.100 0.223 0.000 0.976 394 P CB -0.177 31.790 31.700 0.445 0.000 1.952 395 L N 0.459 121.758 121.223 0.127 0.000 2.291 395 L HA -0.123 4.218 4.340 0.001 0.000 0.214 395 L C 1.948 178.892 176.870 0.123 0.000 1.120 395 L CA 0.885 55.806 54.840 0.135 0.000 0.799 395 L CB -0.633 41.468 42.059 0.071 0.000 0.925 395 L HN 0.145 nan 8.230 nan 0.000 0.446 396 D N -0.226 120.136 120.400 -0.064 0.000 2.200 396 D HA -0.298 4.343 4.640 0.001 0.000 0.192 396 D C 1.486 177.714 176.300 -0.119 0.000 1.008 396 D CA 2.149 56.027 54.000 -0.203 0.000 0.872 396 D CB -0.536 39.977 40.800 -0.478 0.000 0.923 396 D HN 0.572 nan 8.370 nan 0.000 0.447 397 H N -1.696 117.479 119.070 0.176 0.000 2.592 397 H HA 0.233 4.790 4.556 0.001 0.000 0.265 397 H C 0.084 175.331 175.328 -0.135 0.000 0.955 397 H CA -0.482 55.568 56.048 0.002 0.000 1.175 397 H CB 0.232 29.953 29.762 -0.068 0.000 1.433 397 H HN 0.005 nan 8.280 nan 0.000 0.537 398 F N 1.160 121.184 119.950 0.124 0.000 2.422 398 F HA 0.155 4.682 4.527 0.001 0.000 0.333 398 F C 0.451 176.286 175.800 0.058 0.000 1.095 398 F CA -1.467 56.589 58.000 0.093 0.000 1.038 398 F CB 1.003 40.058 39.000 0.092 0.000 1.156 398 F HN -0.026 nan 8.300 nan 0.000 0.483 399 D N 2.127 122.643 120.400 0.195 0.000 2.449 399 D HA 0.422 5.063 4.640 0.001 0.000 0.236 399 D C -0.238 176.142 176.300 0.133 0.000 1.149 399 D CA 0.502 54.576 54.000 0.124 0.000 0.878 399 D CB 0.642 41.497 40.800 0.092 0.000 1.198 399 D HN 0.752 nan 8.370 nan 0.000 0.446 400 K N 0.000 120.452 120.400 0.087 0.000 2.780 400 K HA 0.000 4.321 4.320 0.001 0.000 0.191 400 K CA 0.000 56.328 56.287 0.069 0.000 0.838 400 K CB 0.000 32.537 32.500 0.062 0.000 1.064 400 K HN 0.000 nan 8.250 nan 0.000 0.543