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 1sa1_1_D DATA FIRST_RESID 2 DATA SEQUENCE REIVHIQAGQ CGNQIGAKFW EVISDEHGID PTGSYHGDSD LQLXXERINV DATA SEQUENCE YYNEAAGNKY VPRAILVDLE PGTMDSVRSG PFGQIFRPDN FVFGQSGAGN DATA SEQUENCE NWAKGHYTEG AELVDSVLDV VRKESESCDC LQGFQLTHSL GGGTGSGMGT DATA SEQUENCE LLISKIREEY PDRIMNTFSV VPSPKVSDTV VEPYNATLSV HQLVENTDET DATA SEQUENCE YCIDNEALYD ICFRTLKLTT PTYGDLNHLV SATMSGVTTC LRFPGQLNAD DATA SEQUENCE LRKLAVNMVP FPRLHFFMPG FAPLTSRGSQ QYRALTVPEL TQQMFDAKNM DATA SEQUENCE MAACDPRHGR YLTVAAVFRG RMSMKEVDEQ MLNVQNKNSS YFVEWIPNNV DATA SEQUENCE KTAVCDIPPX XXXXXXXRGL KMSATFIGNS TAIQELFKRI SEQFTAMFRR DATA SEQUENCE KAFLHWYTGE GMDEMEFTEA ESNMNDLVSE YQQYQD 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.267 176.300 -0.055 0.000 0.893 2 R CA 0.000 56.074 56.100 -0.043 0.000 0.921 2 R CB 0.000 30.264 30.300 -0.060 0.000 0.687 3 E N 0.562 120.704 120.200 -0.096 0.000 2.748 3 E HA 0.336 4.686 4.350 -0.001 0.000 0.320 3 E C -1.842 174.633 176.600 -0.208 0.000 0.996 3 E CA -0.324 56.001 56.400 -0.125 0.000 0.835 3 E CB 2.396 32.031 29.700 -0.110 0.000 1.265 3 E HN 0.416 nan 8.360 nan 0.000 0.420 4 I N 2.226 122.630 120.570 -0.277 0.000 2.693 4 I HA 0.799 4.968 4.170 -0.001 0.000 0.303 4 I C -1.015 174.893 176.117 -0.347 0.000 1.025 4 I CA -0.723 60.361 61.300 -0.360 0.000 1.086 4 I CB 1.618 39.399 38.000 -0.365 0.000 1.268 4 I HN 0.374 nan 8.210 nan 0.000 0.440 5 V N 3.148 122.895 119.914 -0.280 0.000 3.001 5 V HA 0.645 4.764 4.120 -0.001 0.000 0.314 5 V C -1.245 174.916 176.094 0.112 0.000 1.099 5 V CA -0.441 61.811 62.300 -0.079 0.000 0.989 5 V CB 1.772 33.573 31.823 -0.037 0.000 1.040 5 V HN 1.027 nan 8.190 nan 0.000 0.434 6 H N 2.944 122.075 119.070 0.101 0.000 2.667 6 H HA 0.627 5.183 4.556 -0.001 0.000 0.353 6 H C -2.000 173.444 175.328 0.193 0.000 1.072 6 H CA -0.826 55.325 56.048 0.171 0.000 1.214 6 H CB 2.137 32.053 29.762 0.257 0.000 1.600 6 H HN 0.802 nan 8.280 nan 0.000 0.527 7 I N 4.125 124.510 120.570 -0.308 0.000 2.433 7 I HA 0.180 4.349 4.170 -0.001 0.000 0.292 7 I C -0.381 175.492 176.117 -0.406 0.000 1.001 7 I CA -0.470 60.676 61.300 -0.257 0.000 1.119 7 I CB 2.063 39.982 38.000 -0.135 0.000 1.289 7 I HN 0.523 nan 8.210 nan 0.000 0.438 8 Q N 6.044 125.718 119.800 -0.210 0.000 2.695 8 Q HA 0.655 4.994 4.340 -0.001 0.000 0.246 8 Q C -1.740 174.286 176.000 0.043 0.000 0.961 8 Q CA -0.503 55.265 55.803 -0.057 0.000 0.708 8 Q CB 1.748 30.570 28.738 0.141 0.000 1.282 8 Q HN 0.782 nan 8.270 nan 0.000 0.482 9 A N 1.950 124.802 122.820 0.054 0.000 2.393 9 A HA 0.934 5.253 4.320 -0.001 0.000 0.306 9 A C -0.185 177.456 177.584 0.095 0.000 1.050 9 A CA -0.120 51.953 52.037 0.059 0.000 0.724 9 A CB 1.594 20.608 19.000 0.023 0.000 1.248 9 A HN 0.972 nan 8.150 nan 0.000 0.424 10 G N 1.409 110.253 108.800 0.074 0.000 3.421 10 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.686 10 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.686 10 G C 0.466 175.397 174.900 0.051 0.000 1.056 10 G CA 0.327 45.468 45.100 0.070 0.000 0.891 10 G HN 1.358 nan 8.290 nan 0.000 0.514 11 Q N 0.791 120.604 119.800 0.022 0.000 2.208 11 Q HA -0.391 3.948 4.340 -0.001 0.000 0.219 11 Q C 2.707 178.694 176.000 -0.022 0.000 1.027 11 Q CA 3.707 59.504 55.803 -0.009 0.000 0.925 11 Q CB -0.424 28.289 28.738 -0.040 0.000 1.006 11 Q HN 1.426 nan 8.270 nan 0.000 0.415 12 C N -0.588 118.694 119.300 -0.029 0.000 2.548 12 C HA 0.018 4.477 4.460 -0.001 0.000 0.284 12 C C 2.767 177.782 174.990 0.041 0.000 1.252 12 C CA 1.595 60.596 59.018 -0.028 0.000 1.725 12 C CB -1.650 26.070 27.740 -0.033 0.000 2.098 12 C HN 0.755 nan 8.230 nan 0.000 0.471 13 G N 0.612 109.457 108.800 0.074 0.000 2.596 13 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.223 13 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.223 13 G C 1.395 176.378 174.900 0.138 0.000 1.120 13 G CA 1.835 47.013 45.100 0.129 0.000 0.752 13 G HN 0.776 nan 8.290 nan 0.000 0.596 14 N N -0.421 118.345 118.700 0.110 0.000 2.092 14 N HA -0.027 4.712 4.740 -0.001 0.000 0.189 14 N C 2.262 177.857 175.510 0.142 0.000 1.040 14 N CA 1.357 54.484 53.050 0.127 0.000 0.845 14 N CB -0.244 38.290 38.487 0.078 0.000 1.017 14 N HN 0.376 nan 8.380 nan 0.000 0.426 15 Q N 0.455 120.309 119.800 0.089 0.000 2.096 15 Q HA -0.065 4.274 4.340 -0.001 0.000 0.204 15 Q C 1.965 178.046 176.000 0.135 0.000 0.982 15 Q CA 1.119 56.979 55.803 0.095 0.000 0.850 15 Q CB -0.132 28.633 28.738 0.044 0.000 0.901 15 Q HN 0.415 nan 8.270 nan 0.000 0.422 16 I N -0.626 120.016 120.570 0.120 0.000 2.194 16 I HA -0.274 3.895 4.170 -0.001 0.000 0.246 16 I C 1.885 178.106 176.117 0.174 0.000 1.093 16 I CA 1.526 62.894 61.300 0.114 0.000 1.355 16 I CB -0.269 37.779 38.000 0.081 0.000 1.046 16 I HN 0.384 nan 8.210 nan 0.000 0.413 17 G N -0.661 108.294 108.800 0.257 0.000 2.408 17 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.215 17 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.215 17 G C 1.723 177.007 174.900 0.640 0.000 1.156 17 G CA 0.591 45.947 45.100 0.426 0.000 0.793 17 G HN 0.513 nan 8.290 nan 0.000 0.535 18 A N 1.246 124.369 122.820 0.505 0.000 1.845 18 A HA 0.109 4.429 4.320 -0.001 0.000 0.215 18 A C 2.614 180.443 177.584 0.409 0.000 1.195 18 A CA 3.169 55.517 52.037 0.519 0.000 0.616 18 A CB -1.051 18.133 19.000 0.306 0.000 0.832 18 A HN 0.570 nan 8.150 nan 0.000 0.443 19 K N -0.778 119.779 120.400 0.261 0.000 2.160 19 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 19 K C 1.860 178.550 176.600 0.151 0.000 1.047 19 K CA 1.816 58.205 56.287 0.171 0.000 0.930 19 K CB -1.379 31.195 32.500 0.124 0.000 0.720 19 K HN 0.658 nan 8.250 nan 0.000 0.450 20 F N -0.630 119.332 119.950 0.020 0.000 1.997 20 F HA -0.152 4.375 4.527 -0.001 0.000 0.296 20 F C 2.173 177.930 175.800 -0.071 0.000 1.160 20 F CA 2.160 60.081 58.000 -0.131 0.000 1.176 20 F CB -0.555 38.265 39.000 -0.299 0.000 0.964 20 F HN 0.356 nan 8.300 nan 0.000 0.484 21 W N 1.356 122.651 121.300 -0.009 0.000 2.290 21 W HA -0.303 4.357 4.660 -0.001 0.000 0.318 21 W C 2.699 179.167 176.519 -0.084 0.000 1.248 21 W CA 2.217 59.473 57.345 -0.149 0.000 1.263 21 W CB -0.662 28.920 29.460 0.204 0.000 1.147 21 W HN 0.416 nan 8.180 nan 0.000 0.494 22 E N -0.632 119.751 120.200 0.306 0.000 2.274 22 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 22 E C 1.967 178.588 176.600 0.035 0.000 0.996 22 E CA 1.214 57.751 56.400 0.228 0.000 0.840 22 E CB -0.652 29.079 29.700 0.051 0.000 0.772 22 E HN 0.228 nan 8.360 nan 0.000 0.491 23 V N 1.948 121.823 119.914 -0.066 0.000 2.346 23 V HA -0.139 3.980 4.120 -0.001 0.000 0.244 23 V C 2.352 178.377 176.094 -0.114 0.000 1.037 23 V CA 1.494 63.740 62.300 -0.091 0.000 1.029 23 V CB -0.159 31.606 31.823 -0.096 0.000 0.663 23 V HN 0.544 nan 8.190 nan 0.000 0.454 24 I N -1.755 118.621 120.570 -0.323 0.000 2.353 24 I HA -0.121 4.048 4.170 -0.001 0.000 0.248 24 I C 2.397 178.493 176.117 -0.034 0.000 1.119 24 I CA 1.970 63.088 61.300 -0.302 0.000 1.417 24 I CB -0.342 37.164 38.000 -0.823 0.000 1.078 24 I HN 0.225 nan 8.210 nan 0.000 0.421 25 S N 1.002 116.749 115.700 0.077 0.000 2.368 25 S HA -0.233 4.237 4.470 -0.001 0.000 0.225 25 S C 1.691 176.424 174.600 0.221 0.000 1.030 25 S CA 1.850 60.201 58.200 0.252 0.000 0.999 25 S CB -0.498 62.967 63.200 0.441 0.000 0.844 25 S HN 0.740 nan 8.310 nan 0.000 0.459 26 D N 0.221 120.759 120.400 0.230 0.000 2.328 26 D HA 0.000 4.639 4.640 -0.001 0.000 0.226 26 D C 1.292 177.677 176.300 0.142 0.000 1.066 26 D CA 0.321 54.433 54.000 0.187 0.000 0.861 26 D CB 0.082 40.974 40.800 0.154 0.000 0.912 26 D HN 0.402 nan 8.370 nan 0.000 0.521 27 E N -0.728 119.576 120.200 0.174 0.000 2.170 27 E HA -0.026 4.323 4.350 -0.001 0.000 0.191 27 E C 1.449 178.157 176.600 0.180 0.000 0.981 27 E CA 0.539 57.063 56.400 0.206 0.000 0.830 27 E CB 0.241 30.115 29.700 0.290 0.000 0.775 27 E HN 0.477 nan 8.360 nan 0.000 0.470 28 H N -1.535 117.530 119.070 -0.008 0.000 2.551 28 H HA 0.213 4.768 4.556 -0.001 0.000 0.271 28 H C 0.452 175.608 175.328 -0.287 0.000 0.984 28 H CA 0.339 56.302 56.048 -0.142 0.000 1.164 28 H CB 1.099 30.730 29.762 -0.220 0.000 1.437 28 H HN 0.238 nan 8.280 nan 0.000 0.550 29 G N 1.846 110.641 108.800 -0.008 0.000 2.370 29 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.268 29 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.268 29 G C -0.586 174.280 174.900 -0.056 0.000 1.122 29 G CA -0.243 44.854 45.100 -0.006 0.000 0.963 29 G HN 0.146 nan 8.290 nan 0.000 0.500 30 I N 0.696 121.250 120.570 -0.026 0.000 2.441 30 I HA 0.482 4.651 4.170 -0.001 0.000 0.295 30 I C 0.058 176.127 176.117 -0.080 0.000 0.994 30 I CA -0.855 60.371 61.300 -0.123 0.000 1.144 30 I CB 1.593 39.453 38.000 -0.233 0.000 1.314 30 I HN 0.082 nan 8.210 nan 0.000 0.445 31 D N 6.482 126.791 120.400 -0.152 0.000 2.388 31 D HA 0.274 4.913 4.640 -0.001 0.000 0.254 31 D C -1.626 174.388 176.300 -0.477 0.000 1.111 31 D CA -1.622 52.314 54.000 -0.107 0.000 0.993 31 D CB 0.742 41.528 40.800 -0.023 0.000 1.118 31 D HN 0.169 nan 8.370 nan 0.000 0.502 32 P HA -0.172 nan 4.420 nan 0.000 0.218 32 P C 0.693 177.811 177.300 -0.302 0.000 1.152 32 P CA 2.153 65.039 63.100 -0.357 0.000 0.857 32 P CB 0.331 32.108 31.700 0.128 0.000 0.787 33 T N -3.597 110.849 114.554 -0.179 0.000 3.221 33 T HA 0.276 4.625 4.350 -0.001 0.000 0.250 33 T C 1.232 175.847 174.700 -0.143 0.000 0.988 33 T CA 0.305 62.324 62.100 -0.135 0.000 1.163 33 T CB -1.192 67.642 68.868 -0.055 0.000 1.098 33 T HN 0.101 nan 8.240 nan 0.000 0.422 34 G N 2.212 110.947 108.800 -0.108 0.000 3.273 34 G HA2 0.126 4.086 3.960 -0.001 0.000 0.516 34 G HA3 0.126 4.086 3.960 -0.001 0.000 0.516 34 G C 0.787 175.596 174.900 -0.153 0.000 1.281 34 G CA 0.503 45.544 45.100 -0.099 0.000 1.201 34 G HN 0.639 nan 8.290 nan 0.000 0.743 35 S N -1.108 114.494 115.700 -0.163 0.000 3.651 35 S HA 0.403 4.872 4.470 -0.001 0.000 0.201 35 S C 0.078 174.556 174.600 -0.202 0.000 1.028 35 S CA -0.363 57.660 58.200 -0.295 0.000 1.564 35 S CB 0.156 63.188 63.200 -0.281 0.000 0.787 35 S HN 0.621 nan 8.310 nan 0.000 0.627 36 Y N 1.897 122.020 120.300 -0.295 0.000 2.299 36 Y HA 0.473 5.022 4.550 -0.001 0.000 0.326 36 Y C 0.675 176.513 175.900 -0.104 0.000 1.164 36 Y CA -0.016 57.971 58.100 -0.189 0.000 1.234 36 Y CB 0.209 38.559 38.460 -0.183 0.000 1.219 36 Y HN 0.822 nan 8.280 nan 0.000 0.497 37 H N 1.121 120.455 119.070 0.441 0.000 3.083 37 H HA 0.562 5.117 4.556 -0.001 0.000 0.217 37 H C -0.236 175.214 175.328 0.203 0.000 1.397 37 H CA -0.310 55.846 56.048 0.180 0.000 1.248 37 H CB 0.348 30.171 29.762 0.103 0.000 2.199 37 H HN 0.943 nan 8.280 nan 0.000 0.521 38 G N -0.165 108.787 108.800 0.252 0.000 2.770 38 G HA2 0.452 4.412 3.960 -0.001 0.000 0.298 38 G HA3 0.452 4.412 3.960 -0.001 0.000 0.298 38 G C 0.209 175.102 174.900 -0.010 0.000 1.534 38 G CA 0.430 45.660 45.100 0.216 0.000 1.046 38 G HN 0.711 nan 8.290 nan 0.000 0.548 39 D N 0.780 121.116 120.400 -0.107 0.000 2.423 39 D HA 0.307 4.946 4.640 -0.001 0.000 0.263 39 D C 1.298 177.553 176.300 -0.075 0.000 1.255 39 D CA 0.735 54.640 54.000 -0.158 0.000 0.965 39 D CB -0.232 40.504 40.800 -0.107 0.000 0.933 39 D HN 0.818 nan 8.370 nan 0.000 0.507 40 S N -1.856 113.844 115.700 -0.000 0.000 2.489 40 S HA 0.358 4.827 4.470 -0.001 0.000 0.291 40 S C 0.551 175.223 174.600 0.120 0.000 1.151 40 S CA -0.591 57.643 58.200 0.055 0.000 1.082 40 S CB 2.290 65.536 63.200 0.078 0.000 1.019 40 S HN 0.154 nan 8.310 nan 0.000 0.492 41 D N 1.756 122.207 120.400 0.086 0.000 2.144 41 D HA -0.049 4.590 4.640 -0.001 0.000 0.207 41 D C 1.866 178.273 176.300 0.178 0.000 0.970 41 D CA 0.437 54.504 54.000 0.111 0.000 0.853 41 D CB -0.040 40.794 40.800 0.056 0.000 1.007 41 D HN 0.415 nan 8.370 nan 0.000 0.469 42 L N 1.644 122.946 121.223 0.132 0.000 2.158 42 L HA -0.373 3.966 4.340 -0.001 0.000 0.249 42 L C 2.345 179.316 176.870 0.167 0.000 1.097 42 L CA 2.148 57.070 54.840 0.136 0.000 0.844 42 L CB -1.559 40.562 42.059 0.105 0.000 0.940 42 L HN 0.365 nan 8.230 nan 0.000 0.436 43 Q N -1.376 118.528 119.800 0.172 0.000 2.532 43 Q HA -0.330 4.010 4.340 -0.001 0.000 0.229 43 Q C 0.985 176.984 176.000 -0.002 0.000 2.384 43 Q CA 2.260 58.070 55.803 0.012 0.000 0.913 43 Q CB -1.417 27.273 28.738 -0.081 0.000 0.758 43 Q HN 0.388 nan 8.270 nan 0.000 0.549 48 R N 1.572 122.135 120.500 0.105 0.000 2.334 48 R HA 0.481 4.820 4.340 -0.001 0.000 0.216 48 R C 2.370 178.748 176.300 0.130 0.000 0.905 48 R CA 1.037 57.199 56.100 0.103 0.000 1.064 48 R CB -1.647 28.712 30.300 0.097 0.000 1.046 48 R HN 0.224 nan 8.270 nan 0.000 0.508 49 I N 1.141 121.807 120.570 0.159 0.000 2.285 49 I HA -0.433 3.736 4.170 -0.001 0.000 0.253 49 I C 2.193 178.386 176.117 0.126 0.000 1.104 49 I CA 2.605 64.002 61.300 0.162 0.000 1.372 49 I CB -1.361 36.718 38.000 0.132 0.000 1.057 49 I HN 0.597 nan 8.210 nan 0.000 0.431 50 N N 0.723 119.457 118.700 0.057 0.000 1.528 50 N HA -0.282 4.457 4.740 -0.001 0.000 0.120 50 N C 1.603 177.135 175.510 0.037 0.000 0.470 50 N CA 3.087 56.156 53.050 0.030 0.000 0.790 50 N CB -1.005 37.508 38.487 0.043 0.000 0.692 50 N HN 0.640 nan 8.380 nan 0.000 1.361 51 V N -1.631 118.327 119.914 0.073 0.000 2.828 51 V HA -0.181 3.938 4.120 -0.001 0.000 0.260 51 V C 1.365 177.401 176.094 -0.098 0.000 1.101 51 V CA 1.788 64.097 62.300 0.014 0.000 1.123 51 V CB -0.770 31.119 31.823 0.110 0.000 0.704 51 V HN 0.404 nan 8.190 nan 0.000 0.493 52 Y N -2.615 117.648 120.300 -0.062 0.000 2.432 52 Y HA 0.383 4.933 4.550 -0.001 0.000 0.252 52 Y C 0.109 175.812 175.900 -0.329 0.000 1.097 52 Y CA -0.843 57.156 58.100 -0.168 0.000 1.250 52 Y CB 0.840 39.118 38.460 -0.304 0.000 1.245 52 Y HN 0.234 nan 8.280 nan 0.000 0.522 53 Y N 0.228 120.528 120.300 -0.000 0.000 2.349 53 Y HA 0.293 4.842 4.550 -0.001 0.000 0.324 53 Y C -0.206 175.541 175.900 -0.255 0.000 1.005 53 Y CA -1.652 56.342 58.100 -0.176 0.000 1.240 53 Y CB 0.486 38.732 38.460 -0.358 0.000 1.117 53 Y HN -0.131 nan 8.280 nan 0.000 0.463 54 N N 3.030 121.680 118.700 -0.084 0.000 2.492 54 N HA 0.054 4.793 4.740 -0.001 0.000 0.262 54 N C -0.857 174.584 175.510 -0.115 0.000 1.202 54 N CA 0.057 53.048 53.050 -0.097 0.000 0.926 54 N CB 0.825 39.263 38.487 -0.082 0.000 1.078 54 N HN 0.666 nan 8.380 nan 0.000 0.454 55 E N 1.258 121.392 120.200 -0.110 0.000 2.145 55 E HA 0.640 4.989 4.350 -0.001 0.000 0.262 55 E C -0.646 175.956 176.600 0.004 0.000 0.883 55 E CA -0.966 55.396 56.400 -0.063 0.000 0.748 55 E CB 1.286 30.939 29.700 -0.077 0.000 1.140 55 E HN 0.481 nan 8.360 nan 0.000 0.417 56 A N 2.602 125.430 122.820 0.013 0.000 2.336 56 A HA 0.820 5.139 4.320 -0.001 0.000 0.291 56 A C 0.373 177.973 177.584 0.027 0.000 1.266 56 A CA -0.397 51.647 52.037 0.010 0.000 0.891 56 A CB 0.077 19.073 19.000 -0.006 0.000 1.366 56 A HN 0.858 nan 8.150 nan 0.000 0.507 57 A N -1.516 121.313 122.820 0.016 0.000 2.613 57 A HA 0.448 4.767 4.320 -0.001 0.000 0.230 57 A C 1.616 179.212 177.584 0.019 0.000 1.051 57 A CA 1.280 53.327 52.037 0.017 0.000 0.754 57 A CB -1.232 17.774 19.000 0.010 0.000 0.979 57 A HN 2.838 nan 8.150 nan 0.000 0.510 58 G N 0.891 109.701 108.800 0.017 0.000 2.583 58 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.292 58 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.292 58 G C 1.020 175.928 174.900 0.013 0.000 1.203 58 G CA 1.753 46.860 45.100 0.011 0.000 0.987 58 G HN 2.010 nan 8.290 nan 0.000 0.554 59 N N 0.079 118.776 118.700 -0.004 0.000 2.119 59 N HA 0.160 4.899 4.740 -0.001 0.000 0.190 59 N C 1.064 176.570 175.510 -0.005 0.000 1.068 59 N CA 2.150 55.184 53.050 -0.027 0.000 0.872 59 N CB -0.809 37.644 38.487 -0.056 0.000 1.053 59 N HN 1.342 nan 8.380 nan 0.000 0.447 60 K N -2.345 118.043 120.400 -0.020 0.000 2.344 60 K HA -0.245 4.074 4.320 -0.001 0.000 0.239 60 K C -0.193 176.514 176.600 0.179 0.000 1.163 60 K CA 1.640 57.934 56.287 0.012 0.000 1.148 60 K CB -0.098 32.406 32.500 0.008 0.000 0.644 60 K HN 0.721 nan 8.250 nan 0.000 0.383 61 Y N -0.199 120.027 120.300 -0.124 0.000 2.452 61 Y HA 0.043 4.592 4.550 -0.001 0.000 0.262 61 Y C 0.352 176.229 175.900 -0.038 0.000 1.089 61 Y CA -0.009 58.012 58.100 -0.131 0.000 1.262 61 Y CB 1.353 39.641 38.460 -0.286 0.000 1.236 61 Y HN 0.505 nan 8.280 nan 0.000 0.512 62 V N 3.970 123.894 119.914 0.016 0.000 4.341 62 V HA -0.180 3.940 4.120 -0.001 0.000 0.497 62 V C -2.800 173.218 176.094 -0.127 0.000 0.698 62 V CA -0.820 61.418 62.300 -0.104 0.000 1.918 62 V CB -0.041 31.712 31.823 -0.117 0.000 2.267 62 V HN 0.127 nan 8.190 nan 0.000 0.506 63 P HA 0.214 nan 4.420 nan 0.000 0.271 63 P C -0.373 176.647 177.300 -0.467 0.000 1.216 63 P CA -0.283 62.372 63.100 -0.742 0.000 0.776 63 P CB 0.463 31.004 31.700 -1.931 0.000 0.881 64 R N 1.731 122.080 120.500 -0.252 0.000 3.247 64 R HA 0.427 4.766 4.340 -0.001 0.000 0.212 64 R C -0.091 176.222 176.300 0.021 0.000 1.604 64 R CA 0.144 56.182 56.100 -0.104 0.000 1.279 64 R CB -0.760 29.495 30.300 -0.074 0.000 1.277 64 R HN 0.508 nan 8.270 nan 0.000 0.669 65 A N 2.776 125.572 122.820 -0.040 0.000 2.449 65 A HA 0.575 4.894 4.320 -0.001 0.000 0.302 65 A C -1.021 176.634 177.584 0.118 0.000 1.048 65 A CA -0.664 51.486 52.037 0.188 0.000 0.708 65 A CB 1.227 20.303 19.000 0.126 0.000 1.274 65 A HN 0.542 nan 8.150 nan 0.000 0.410 66 I N 2.273 122.926 120.570 0.138 0.000 2.436 66 I HA 0.404 4.573 4.170 -0.001 0.000 0.289 66 I C -1.134 175.022 176.117 0.064 0.000 1.010 66 I CA -0.697 60.634 61.300 0.051 0.000 1.098 66 I CB 1.531 39.539 38.000 0.014 0.000 1.266 66 I HN 0.565 nan 8.210 nan 0.000 0.434 67 L N 7.736 129.000 121.223 0.069 0.000 2.287 67 L HA 0.628 4.967 4.340 -0.001 0.000 0.287 67 L C -1.030 175.896 176.870 0.093 0.000 1.022 67 L CA -0.811 54.099 54.840 0.117 0.000 0.814 67 L CB 1.561 43.755 42.059 0.225 0.000 1.217 67 L HN 0.246 nan 8.230 nan 0.000 0.420 68 V N 1.638 121.593 119.914 0.068 0.000 2.638 68 V HA 0.605 4.724 4.120 -0.001 0.000 0.306 68 V C -0.735 175.390 176.094 0.051 0.000 1.052 68 V CA -0.646 61.678 62.300 0.040 0.000 0.885 68 V CB 2.370 34.194 31.823 0.003 0.000 0.999 68 V HN 0.735 nan 8.190 nan 0.000 0.424 69 D N 2.183 122.616 120.400 0.055 0.000 2.622 69 D HA 0.450 5.089 4.640 -0.001 0.000 0.255 69 D C -1.009 175.321 176.300 0.051 0.000 1.246 69 D CA -0.449 53.582 54.000 0.052 0.000 0.795 69 D CB 2.874 43.708 40.800 0.057 0.000 1.369 69 D HN 0.391 nan 8.370 nan 0.000 0.425 70 L N 1.392 122.639 121.223 0.041 0.000 2.872 70 L HA 0.249 4.588 4.340 -0.001 0.000 0.245 70 L C -0.113 176.783 176.870 0.043 0.000 1.211 70 L CA 0.175 55.038 54.840 0.039 0.000 1.013 70 L CB 0.071 42.146 42.059 0.026 0.000 1.326 70 L HN 0.319 nan 8.230 nan 0.000 0.525 71 E N -3.000 117.228 120.200 0.048 0.000 2.354 71 E HA 0.340 4.689 4.350 -0.001 0.000 0.283 71 E C -2.835 173.782 176.600 0.029 0.000 0.938 71 E CA -1.645 54.775 56.400 0.033 0.000 0.777 71 E CB 1.457 31.165 29.700 0.013 0.000 1.222 71 E HN -0.259 nan 8.360 nan 0.000 0.423 72 P HA -0.206 nan 4.420 nan 0.000 0.203 72 P C 1.316 178.570 177.300 -0.077 0.000 0.967 72 P CA 2.317 65.381 63.100 -0.062 0.000 0.946 72 P CB -0.254 31.360 31.700 -0.144 0.000 0.690 73 G N -0.968 107.775 108.800 -0.095 0.000 3.159 73 G HA2 -0.459 3.500 3.960 -0.001 0.000 0.338 73 G HA3 -0.459 3.500 3.960 -0.001 0.000 0.338 73 G C 1.509 176.361 174.900 -0.081 0.000 1.618 73 G CA 3.253 48.304 45.100 -0.081 0.000 1.726 73 G HN 0.512 nan 8.290 nan 0.000 0.932 74 T N -0.307 114.214 114.554 -0.054 0.000 2.929 74 T HA 0.045 4.395 4.350 -0.001 0.000 0.271 74 T C 2.373 177.040 174.700 -0.055 0.000 1.085 74 T CA 2.251 64.323 62.100 -0.046 0.000 1.125 74 T CB -0.213 68.638 68.868 -0.029 0.000 0.874 74 T HN 0.474 nan 8.240 nan 0.000 0.494 75 M N 1.785 121.340 119.600 -0.075 0.000 2.160 75 M HA 0.051 4.530 4.480 -0.001 0.000 0.264 75 M C 1.289 177.450 176.300 -0.232 0.000 1.073 75 M CA 1.258 56.477 55.300 -0.135 0.000 1.142 75 M CB -1.107 31.415 32.600 -0.129 0.000 1.358 75 M HN 0.123 nan 8.290 nan 0.000 0.422 76 D N 0.931 121.190 120.400 -0.234 0.000 2.403 76 D HA -0.040 4.599 4.640 -0.001 0.000 0.227 76 D C 1.607 177.825 176.300 -0.137 0.000 0.995 76 D CA 0.601 54.467 54.000 -0.224 0.000 0.928 76 D CB -0.220 40.452 40.800 -0.214 0.000 0.887 76 D HN 0.243 nan 8.370 nan 0.000 0.529 77 S N -0.832 114.805 115.700 -0.106 0.000 2.486 77 S HA 0.030 4.499 4.470 -0.001 0.000 0.220 77 S C 2.020 176.596 174.600 -0.041 0.000 1.011 77 S CA -0.088 58.076 58.200 -0.060 0.000 0.921 77 S CB 0.597 63.770 63.200 -0.044 0.000 0.785 77 S HN 0.124 nan 8.310 nan 0.000 0.517 78 V N 1.467 121.340 119.914 -0.069 0.000 2.426 78 V HA 0.085 4.204 4.120 -0.001 0.000 0.242 78 V C 2.348 178.423 176.094 -0.033 0.000 1.036 78 V CA 0.969 63.242 62.300 -0.044 0.000 1.044 78 V CB -0.597 31.154 31.823 -0.120 0.000 0.688 78 V HN 0.303 nan 8.190 nan 0.000 0.462 79 R N 0.659 121.085 120.500 -0.122 0.000 2.094 79 R HA -0.124 4.216 4.340 -0.001 0.000 0.239 79 R C 1.076 177.368 176.300 -0.013 0.000 1.137 79 R CA 1.694 57.739 56.100 -0.092 0.000 0.943 79 R CB -0.272 29.855 30.300 -0.287 0.000 0.850 79 R HN 0.447 nan 8.270 nan 0.000 0.433 80 S N -0.363 115.313 115.700 -0.041 0.000 2.430 80 S HA 0.517 4.986 4.470 -0.001 0.000 0.289 80 S C -0.072 174.535 174.600 0.011 0.000 1.143 80 S CA 0.056 58.252 58.200 -0.008 0.000 1.067 80 S CB 1.477 64.659 63.200 -0.029 0.000 0.964 80 S HN 0.702 nan 8.310 nan 0.000 0.485 81 G N 5.486 114.312 108.800 0.044 0.000 2.217 81 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.126 81 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.126 81 G C -2.396 172.558 174.900 0.089 0.000 1.293 81 G CA -0.238 44.892 45.100 0.051 0.000 1.219 81 G HN 0.504 nan 8.290 nan 0.000 0.477 82 P HA 0.048 nan 4.420 nan 0.000 0.212 82 P C 0.602 178.027 177.300 0.208 0.000 1.027 82 P CA 0.749 63.904 63.100 0.092 0.000 0.913 82 P CB -0.093 31.669 31.700 0.104 0.000 0.573 83 F N -0.023 120.038 119.950 0.186 0.000 2.509 83 F HA 0.255 4.781 4.527 -0.002 0.000 0.344 83 F C 1.813 177.806 175.800 0.321 0.000 1.197 83 F CA -0.725 57.403 58.000 0.214 0.000 1.294 83 F CB 0.278 39.404 39.000 0.211 0.000 1.643 83 F HN 0.110 nan 8.300 nan 0.000 0.596 84 G N 0.514 109.565 108.800 0.418 0.000 2.395 84 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.214 84 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.214 84 G C 1.228 176.350 174.900 0.370 0.000 1.177 84 G CA 0.172 45.471 45.100 0.331 0.000 0.794 84 G HN 0.388 nan 8.290 nan 0.000 0.532 85 Q N -0.039 119.922 119.800 0.268 0.000 2.557 85 Q HA 0.164 4.503 4.340 -0.001 0.000 0.217 85 Q C 2.035 178.121 176.000 0.144 0.000 0.978 85 Q CA 0.124 56.042 55.803 0.192 0.000 0.950 85 Q CB 0.137 28.947 28.738 0.121 0.000 0.991 85 Q HN 0.534 nan 8.270 nan 0.000 0.533 86 I N -0.473 120.207 120.570 0.183 0.000 2.339 86 I HA -0.094 4.075 4.170 -0.001 0.000 0.245 86 I C 0.437 176.498 176.117 -0.092 0.000 1.096 86 I CA 0.351 61.608 61.300 -0.072 0.000 1.408 86 I CB 0.299 38.102 38.000 -0.328 0.000 1.092 86 I HN 0.021 nan 8.210 nan 0.000 0.423 87 F N 1.205 121.094 119.950 -0.102 0.000 2.429 87 F HA 0.221 4.747 4.527 -0.001 0.000 0.348 87 F C 0.965 176.581 175.800 -0.305 0.000 1.109 87 F CA -0.458 57.388 58.000 -0.257 0.000 1.232 87 F CB 0.192 38.995 39.000 -0.327 0.000 1.157 87 F HN -0.097 nan 8.300 nan 0.000 0.564 88 R N 3.547 123.947 120.500 -0.166 0.000 2.491 88 R HA 0.089 4.429 4.340 -0.001 0.000 0.283 88 R C -1.670 174.443 176.300 -0.312 0.000 1.072 88 R CA -1.301 54.700 56.100 -0.165 0.000 1.048 88 R CB 0.721 30.945 30.300 -0.126 0.000 0.983 88 R HN 0.298 nan 8.270 nan 0.000 0.450 89 P HA -0.142 nan 4.420 nan 0.000 0.216 89 P C -0.124 177.178 177.300 0.003 0.000 1.153 89 P CA 1.346 64.458 63.100 0.019 0.000 0.848 89 P CB 0.102 31.913 31.700 0.186 0.000 0.787 90 D N -1.827 118.553 120.400 -0.034 0.000 2.378 90 D HA -0.084 4.556 4.640 -0.001 0.000 0.227 90 D C 0.994 177.230 176.300 -0.106 0.000 1.012 90 D CA 0.472 54.446 54.000 -0.043 0.000 0.905 90 D CB -1.243 39.538 40.800 -0.031 0.000 0.895 90 D HN 0.237 nan 8.370 nan 0.000 0.532 91 N N -0.831 117.746 118.700 -0.205 0.000 2.373 91 N HA 0.124 4.863 4.740 -0.001 0.000 0.181 91 N C -0.472 174.908 175.510 -0.217 0.000 1.082 91 N CA -0.173 52.744 53.050 -0.222 0.000 0.885 91 N CB 0.176 38.513 38.487 -0.251 0.000 0.977 91 N HN 0.121 nan 8.380 nan 0.000 0.462 92 F N 0.632 120.568 119.950 -0.023 0.000 2.443 92 F HA 0.252 4.779 4.527 -0.000 0.000 0.353 92 F C 0.335 175.995 175.800 -0.234 0.000 1.101 92 F CA -0.791 57.182 58.000 -0.044 0.000 1.226 92 F CB 0.894 39.960 39.000 0.110 0.000 1.140 92 F HN -0.264 nan 8.300 nan 0.000 0.557 93 V N 4.644 124.544 119.914 -0.022 0.000 2.383 93 V HA 0.190 4.310 4.120 -0.001 0.000 0.261 93 V C -0.490 175.523 176.094 -0.135 0.000 0.987 93 V CA -0.912 61.263 62.300 -0.209 0.000 0.853 93 V CB -0.831 30.923 31.823 -0.116 0.000 1.095 93 V HN 0.520 nan 8.190 nan 0.000 0.461 94 F N 0.320 120.298 119.950 0.047 0.000 2.529 94 F HA 0.581 5.108 4.527 0.000 0.000 0.365 94 F C 1.437 177.239 175.800 0.003 0.000 1.102 94 F CA 0.011 58.016 58.000 0.008 0.000 1.271 94 F CB 0.476 39.464 39.000 -0.019 0.000 1.120 94 F HN 0.343 nan 8.300 nan 0.000 0.579 95 G N 0.123 109.021 108.800 0.162 0.000 2.744 95 G HA2 0.148 4.107 3.960 -0.001 0.000 0.211 95 G HA3 0.148 4.107 3.960 -0.001 0.000 0.211 95 G C 0.821 175.775 174.900 0.091 0.000 1.146 95 G CA 0.651 45.800 45.100 0.083 0.000 0.787 95 G HN 0.721 nan 8.290 nan 0.000 0.534 96 Q N 0.014 119.889 119.800 0.125 0.000 1.972 96 Q HA -0.353 3.987 4.340 -0.001 0.000 0.352 96 Q C 1.217 177.246 176.000 0.047 0.000 1.270 96 Q CA 3.169 59.021 55.803 0.082 0.000 0.950 96 Q CB -1.641 27.145 28.738 0.080 0.000 2.089 96 Q HN 1.643 nan 8.270 nan 0.000 0.757 97 S N -1.606 114.118 115.700 0.039 0.000 3.341 97 S HA -0.069 4.400 4.470 -0.001 0.000 0.710 97 S C 0.471 175.088 174.600 0.028 0.000 2.488 97 S CA 1.166 59.385 58.200 0.031 0.000 2.591 97 S CB -1.205 62.013 63.200 0.030 0.000 0.307 97 S HN 1.714 nan 8.310 nan 0.000 1.457 98 G N 0.837 109.655 108.800 0.029 0.000 2.441 98 G HA2 0.614 4.574 3.960 -0.001 0.000 0.243 98 G HA3 0.614 4.574 3.960 -0.001 0.000 0.243 98 G C 1.214 176.136 174.900 0.035 0.000 1.281 98 G CA 0.082 45.201 45.100 0.033 0.000 0.854 98 G HN 1.723 nan 8.290 nan 0.000 0.560 99 A N 2.095 124.935 122.820 0.033 0.000 1.849 99 A HA 0.383 4.702 4.320 -0.001 0.000 0.216 99 A C 1.887 179.498 177.584 0.044 0.000 1.225 99 A CA 2.676 54.732 52.037 0.032 0.000 0.653 99 A CB -0.945 18.069 19.000 0.023 0.000 0.844 99 A HN 2.474 nan 8.150 nan 0.000 0.453 100 G N -2.973 105.860 108.800 0.055 0.000 2.130 100 G HA2 0.080 4.039 3.960 -0.001 0.000 0.151 100 G HA3 0.080 4.039 3.960 -0.001 0.000 0.151 100 G C 0.230 175.172 174.900 0.071 0.000 1.173 100 G CA 0.576 45.723 45.100 0.079 0.000 1.278 100 G HN 1.154 nan 8.290 nan 0.000 0.479 101 N N 0.390 119.139 118.700 0.082 0.000 2.878 101 N HA -0.171 4.568 4.740 -0.001 0.000 0.247 101 N C -0.245 175.325 175.510 0.099 0.000 1.021 101 N CA 1.830 54.921 53.050 0.068 0.000 0.873 101 N CB -1.298 37.188 38.487 -0.002 0.000 1.128 101 N HN 1.457 nan 8.380 nan 0.000 0.571 102 N N -0.975 117.835 118.700 0.182 0.000 2.549 102 N HA 0.148 4.887 4.740 -0.001 0.000 0.281 102 N C 0.560 176.403 175.510 0.556 0.000 1.084 102 N CA -0.567 52.697 53.050 0.358 0.000 0.862 102 N CB -0.075 38.443 38.487 0.051 0.000 1.333 102 N HN 0.105 nan 8.380 nan 0.000 0.523 103 W N 3.412 124.969 121.300 0.428 0.000 2.213 103 W HA -0.451 4.208 4.660 -0.001 0.000 0.350 103 W C 1.963 178.730 176.519 0.414 0.000 1.467 103 W CA 4.103 61.652 57.345 0.340 0.000 1.481 103 W CB -0.719 28.884 29.460 0.238 0.000 1.055 103 W HN 0.759 nan 8.180 nan 0.000 0.473 104 A N -0.534 122.815 122.820 0.881 0.000 1.909 104 A HA -0.404 3.916 4.320 -0.001 0.000 0.221 104 A C 1.887 179.733 177.584 0.436 0.000 1.223 104 A CA 2.929 55.391 52.037 0.709 0.000 0.658 104 A CB -1.277 18.165 19.000 0.737 0.000 0.831 104 A HN 0.434 nan 8.150 nan 0.000 0.462 105 K N -1.408 119.185 120.400 0.321 0.000 2.000 105 K HA -0.157 4.162 4.320 -0.001 0.000 0.218 105 K C 1.935 178.602 176.600 0.110 0.000 1.053 105 K CA 1.882 58.282 56.287 0.188 0.000 0.946 105 K CB -0.671 31.920 32.500 0.150 0.000 0.723 105 K HN 0.466 nan 8.250 nan 0.000 0.446 106 G N -1.991 106.842 108.800 0.055 0.000 2.744 106 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.211 106 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.211 106 G C 1.093 175.875 174.900 -0.197 0.000 1.143 106 G CA 0.757 45.822 45.100 -0.058 0.000 0.788 106 G HN 0.425 nan 8.290 nan 0.000 0.534 107 H N -2.306 116.528 119.070 -0.394 0.000 2.750 107 H HA 0.348 4.904 4.556 -0.001 0.000 0.263 107 H C 1.290 176.228 175.328 -0.649 0.000 0.964 107 H CA 0.352 55.985 56.048 -0.692 0.000 1.205 107 H CB 0.580 29.510 29.762 -1.387 0.000 1.454 107 H HN 0.338 nan 8.280 nan 0.000 0.503 108 Y N -1.918 118.329 120.300 -0.089 0.000 2.972 108 Y HA 0.142 4.691 4.550 -0.001 0.000 0.229 108 Y C 2.354 178.234 175.900 -0.033 0.000 0.980 108 Y CA 0.706 58.785 58.100 -0.035 0.000 1.475 108 Y CB -0.118 38.388 38.460 0.076 0.000 1.459 108 Y HN 0.007 nan 8.280 nan 0.000 0.460 109 T N 0.892 115.553 114.554 0.178 0.000 2.688 109 T HA -0.098 4.251 4.350 -0.001 0.000 0.237 109 T C 1.400 176.122 174.700 0.038 0.000 1.120 109 T CA 1.349 63.506 62.100 0.095 0.000 1.469 109 T CB -0.558 68.367 68.868 0.094 0.000 1.032 109 T HN 0.237 nan 8.240 nan 0.000 0.405 110 E N 1.568 121.790 120.200 0.037 0.000 2.409 110 E HA -0.017 4.333 4.350 -0.001 0.000 0.198 110 E C 2.231 178.820 176.600 -0.018 0.000 1.024 110 E CA 0.743 57.151 56.400 0.013 0.000 0.861 110 E CB -0.655 29.060 29.700 0.025 0.000 0.788 110 E HN 0.601 nan 8.360 nan 0.000 0.521 111 G N 2.319 111.095 108.800 -0.040 0.000 2.575 111 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.215 111 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.215 111 G C 1.794 176.614 174.900 -0.132 0.000 1.262 111 G CA 1.344 46.377 45.100 -0.111 0.000 0.807 111 G HN 0.390 nan 8.290 nan 0.000 0.567 112 A N 0.462 123.192 122.820 -0.149 0.000 1.986 112 A HA -0.111 4.208 4.320 -0.001 0.000 0.220 112 A C 2.125 179.657 177.584 -0.087 0.000 1.171 112 A CA 2.406 54.361 52.037 -0.138 0.000 0.640 112 A CB -0.533 18.392 19.000 -0.125 0.000 0.811 112 A HN 0.436 nan 8.150 nan 0.000 0.451 113 E N -0.888 119.277 120.200 -0.058 0.000 2.136 113 E HA -0.223 4.126 4.350 -0.001 0.000 0.202 113 E C 1.640 178.212 176.600 -0.047 0.000 1.019 113 E CA 1.748 58.125 56.400 -0.039 0.000 0.819 113 E CB -0.205 29.483 29.700 -0.020 0.000 0.739 113 E HN 0.498 nan 8.360 nan 0.000 0.458 114 L N -1.692 119.495 121.223 -0.060 0.000 2.356 114 L HA 0.093 4.432 4.340 -0.001 0.000 0.193 114 L C 1.999 178.821 176.870 -0.079 0.000 1.087 114 L CA 0.893 55.695 54.840 -0.063 0.000 0.817 114 L CB -0.681 41.344 42.059 -0.056 0.000 1.035 114 L HN 0.064 nan 8.230 nan 0.000 0.482 115 V N 0.843 120.697 119.914 -0.100 0.000 2.527 115 V HA -0.590 3.529 4.120 -0.001 0.000 0.196 115 V C 2.181 178.217 176.094 -0.095 0.000 0.953 115 V CA 2.543 64.773 62.300 -0.115 0.000 1.142 115 V CB -1.256 30.484 31.823 -0.139 0.000 1.037 115 V HN 0.569 nan 8.190 nan 0.000 0.486 116 D N -0.755 119.594 120.400 -0.086 0.000 2.149 116 D HA -0.174 4.465 4.640 -0.001 0.000 0.194 116 D C 2.225 178.486 176.300 -0.064 0.000 1.001 116 D CA 1.975 55.932 54.000 -0.072 0.000 0.849 116 D CB -0.254 40.508 40.800 -0.062 0.000 0.939 116 D HN 0.575 nan 8.370 nan 0.000 0.449 117 S N -0.076 115.584 115.700 -0.067 0.000 2.356 117 S HA -0.105 4.365 4.470 -0.001 0.000 0.223 117 S C 2.258 176.815 174.600 -0.071 0.000 1.032 117 S CA 0.496 58.655 58.200 -0.069 0.000 1.005 117 S CB -0.104 63.049 63.200 -0.079 0.000 0.867 117 S HN 0.084 nan 8.310 nan 0.000 0.449 118 V N 1.387 121.256 119.914 -0.074 0.000 2.255 118 V HA -0.074 4.045 4.120 -0.001 0.000 0.243 118 V C 2.198 178.256 176.094 -0.061 0.000 1.038 118 V CA 1.481 63.740 62.300 -0.069 0.000 1.008 118 V CB -0.540 31.238 31.823 -0.074 0.000 0.645 118 V HN 0.380 nan 8.190 nan 0.000 0.449 119 L N 0.855 122.037 121.223 -0.070 0.000 2.197 119 L HA -0.284 4.056 4.340 -0.001 0.000 0.215 119 L C 2.055 178.908 176.870 -0.028 0.000 1.095 119 L CA 2.750 57.552 54.840 -0.062 0.000 0.764 119 L CB -0.500 41.511 42.059 -0.079 0.000 0.897 119 L HN 0.713 nan 8.230 nan 0.000 0.436 120 D N -2.157 118.224 120.400 -0.032 0.000 2.197 120 D HA -0.129 4.510 4.640 -0.001 0.000 0.212 120 D C 1.937 178.234 176.300 -0.005 0.000 0.963 120 D CA 1.058 55.048 54.000 -0.017 0.000 0.864 120 D CB -0.117 40.665 40.800 -0.029 0.000 1.009 120 D HN 0.103 nan 8.370 nan 0.000 0.479 121 V N 1.169 121.071 119.914 -0.021 0.000 2.392 121 V HA -0.233 3.887 4.120 -0.001 0.000 0.249 121 V C 2.789 178.887 176.094 0.006 0.000 1.059 121 V CA 1.600 63.888 62.300 -0.019 0.000 1.051 121 V CB -0.667 31.130 31.823 -0.043 0.000 0.658 121 V HN 0.460 nan 8.190 nan 0.000 0.455 122 V N 0.125 120.048 119.914 0.015 0.000 2.332 122 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 122 V C 2.461 178.631 176.094 0.127 0.000 1.055 122 V CA 2.560 64.893 62.300 0.056 0.000 1.038 122 V CB -0.767 31.064 31.823 0.014 0.000 0.651 122 V HN 0.499 nan 8.190 nan 0.000 0.450 123 R N 0.947 121.536 120.500 0.147 0.000 2.080 123 R HA -0.156 4.183 4.340 -0.001 0.000 0.236 123 R C 2.498 178.873 176.300 0.125 0.000 1.137 123 R CA 2.514 58.738 56.100 0.207 0.000 0.943 123 R CB -0.584 29.792 30.300 0.127 0.000 0.846 123 R HN 0.613 nan 8.270 nan 0.000 0.431 124 K N 0.861 121.299 120.400 0.063 0.000 2.442 124 K HA -0.085 4.234 4.320 -0.001 0.000 0.198 124 K C 1.693 178.305 176.600 0.020 0.000 1.042 124 K CA 1.474 57.781 56.287 0.032 0.000 0.958 124 K CB -0.201 32.304 32.500 0.009 0.000 0.766 124 K HN 0.321 nan 8.250 nan 0.000 0.474 125 E N -1.034 119.182 120.200 0.026 0.000 2.307 125 E HA 0.102 4.452 4.350 -0.001 0.000 0.195 125 E C 2.456 179.048 176.600 -0.013 0.000 0.975 125 E CA 1.073 57.473 56.400 0.000 0.000 0.878 125 E CB 0.527 30.226 29.700 -0.000 0.000 0.845 125 E HN 0.644 nan 8.360 nan 0.000 0.488 126 S N 0.964 116.670 115.700 0.010 0.000 2.456 126 S HA -0.024 4.446 4.470 -0.001 0.000 0.224 126 S C 1.890 176.484 174.600 -0.010 0.000 1.035 126 S CA 0.638 58.806 58.200 -0.054 0.000 0.940 126 S CB -0.004 63.129 63.200 -0.111 0.000 0.799 126 S HN 0.049 nan 8.310 nan 0.000 0.508 127 E N 0.582 120.819 120.200 0.061 0.000 2.204 127 E HA -0.049 4.300 4.350 -0.001 0.000 0.194 127 E C 2.008 178.618 176.600 0.017 0.000 0.989 127 E CA 0.864 57.300 56.400 0.059 0.000 0.824 127 E CB -0.016 29.729 29.700 0.076 0.000 0.756 127 E HN 0.519 nan 8.360 nan 0.000 0.477 128 S N -0.267 115.434 115.700 0.002 0.000 2.345 128 S HA -0.089 4.381 4.470 -0.001 0.000 0.219 128 S C 1.069 175.652 174.600 -0.027 0.000 1.031 128 S CA 0.522 58.715 58.200 -0.013 0.000 0.984 128 S CB -0.273 62.916 63.200 -0.018 0.000 0.874 128 S HN 0.602 nan 8.310 nan 0.000 0.451 129 C N 2.601 121.873 119.300 -0.046 0.000 2.608 129 C HA 0.011 4.470 4.460 -0.001 0.000 0.407 129 C C 1.762 176.720 174.990 -0.055 0.000 1.322 129 C CA -0.022 58.957 59.018 -0.065 0.000 1.778 129 C CB -0.286 27.392 27.740 -0.103 0.000 2.654 129 C HN 0.675 nan 8.230 nan 0.000 0.622 130 D N 1.157 121.526 120.400 -0.052 0.000 2.077 130 D HA -0.048 4.592 4.640 -0.001 0.000 0.197 130 D C 0.677 176.955 176.300 -0.037 0.000 0.983 130 D CA 1.780 55.758 54.000 -0.036 0.000 0.841 130 D CB 0.039 40.822 40.800 -0.029 0.000 0.992 130 D HN 0.929 nan 8.370 nan 0.000 0.450 131 C N 1.474 120.745 119.300 -0.048 0.000 2.346 131 C HA 0.673 5.132 4.460 -0.001 0.000 0.326 131 C C -0.185 174.752 174.990 -0.087 0.000 1.224 131 C CA -1.456 57.531 59.018 -0.052 0.000 1.408 131 C CB -0.459 27.259 27.740 -0.037 0.000 2.089 131 C HN 0.351 nan 8.230 nan 0.000 0.456 132 L N 4.346 125.500 121.223 -0.115 0.000 2.461 132 L HA 0.267 4.606 4.340 -0.001 0.000 0.272 132 L C 1.126 177.874 176.870 -0.203 0.000 1.197 132 L CA 0.916 55.636 54.840 -0.201 0.000 0.836 132 L CB 0.534 42.436 42.059 -0.261 0.000 1.105 132 L HN 0.975 nan 8.230 nan 0.000 0.477 133 Q N 2.238 121.881 119.800 -0.262 0.000 2.252 133 Q HA 0.392 4.731 4.340 -0.001 0.000 0.195 133 Q C 0.359 176.195 176.000 -0.275 0.000 0.974 133 Q CA 0.648 56.324 55.803 -0.211 0.000 0.846 133 Q CB 0.429 29.062 28.738 -0.176 0.000 0.943 133 Q HN 0.983 nan 8.270 nan 0.000 0.516 134 G N -1.243 107.284 108.800 -0.456 0.000 2.356 134 G HA2 0.342 4.302 3.960 -0.001 0.000 0.281 134 G HA3 0.342 4.302 3.960 -0.001 0.000 0.281 134 G C -1.810 172.587 174.900 -0.838 0.000 1.246 134 G CA -0.785 43.967 45.100 -0.580 0.000 0.889 134 G HN 0.128 nan 8.290 nan 0.000 0.486 135 F N 0.410 120.306 119.950 -0.091 0.000 2.565 135 F HA 0.661 5.187 4.527 -0.001 0.000 0.313 135 F C 0.035 175.826 175.800 -0.015 0.000 1.091 135 F CA -0.923 57.035 58.000 -0.071 0.000 0.915 135 F CB 2.356 41.301 39.000 -0.092 0.000 1.208 135 F HN 0.599 nan 8.300 nan 0.000 0.453 136 Q N 2.836 122.769 119.800 0.222 0.000 2.322 136 Q HA 0.736 5.075 4.340 -0.001 0.000 0.265 136 Q C -1.599 174.520 176.000 0.200 0.000 0.985 136 Q CA -0.973 54.975 55.803 0.242 0.000 0.849 136 Q CB 2.572 31.515 28.738 0.342 0.000 1.274 136 Q HN 0.804 nan 8.270 nan 0.000 0.449 137 L N 1.693 122.996 121.223 0.133 0.000 2.346 137 L HA 0.723 5.062 4.340 -0.001 0.000 0.276 137 L C -1.038 175.932 176.870 0.167 0.000 1.006 137 L CA -0.089 54.764 54.840 0.021 0.000 0.817 137 L CB 2.402 44.396 42.059 -0.108 0.000 1.272 137 L HN 0.801 nan 8.230 nan 0.000 0.421 138 T N 0.785 115.437 114.554 0.165 0.000 2.807 138 T HA 0.818 5.167 4.350 -0.001 0.000 0.279 138 T C -0.606 174.290 174.700 0.327 0.000 0.993 138 T CA -0.489 61.803 62.100 0.319 0.000 0.970 138 T CB 1.027 70.029 68.868 0.223 0.000 0.950 138 T HN 1.010 nan 8.240 nan 0.000 0.441 139 H N -0.188 118.958 119.070 0.128 0.000 2.932 139 H HA 0.559 5.114 4.556 -0.001 0.000 0.307 139 H C -1.631 173.761 175.328 0.106 0.000 1.391 139 H CA -1.152 54.955 56.048 0.098 0.000 1.130 139 H CB 0.697 30.510 29.762 0.085 0.000 1.836 139 H HN 0.639 nan 8.280 nan 0.000 0.522 140 S N 1.074 116.713 115.700 -0.102 0.000 2.433 140 S HA 0.302 4.772 4.470 -0.001 0.000 0.310 140 S C 0.757 175.266 174.600 -0.152 0.000 1.097 140 S CA -0.866 57.251 58.200 -0.138 0.000 1.103 140 S CB 1.662 64.852 63.200 -0.016 0.000 0.992 140 S HN 0.445 nan 8.310 nan 0.000 0.469 141 L N 2.949 124.060 121.223 -0.187 0.000 2.478 141 L HA 0.285 4.624 4.340 -0.001 0.000 0.223 141 L C 1.130 178.021 176.870 0.036 0.000 1.140 141 L CA 0.869 55.662 54.840 -0.078 0.000 0.842 141 L CB -0.635 41.370 42.059 -0.090 0.000 0.953 141 L HN 0.934 nan 8.230 nan 0.000 0.452 142 G N -1.853 106.971 108.800 0.039 0.000 2.452 142 G HA2 0.531 4.491 3.960 -0.001 0.000 0.324 142 G HA3 0.531 4.491 3.960 -0.001 0.000 0.324 142 G C -0.359 174.603 174.900 0.102 0.000 1.214 142 G CA -0.135 45.014 45.100 0.080 0.000 0.947 142 G HN 0.335 nan 8.290 nan 0.000 0.478 143 G N -0.368 108.518 108.800 0.142 0.000 2.764 143 G HA2 0.286 4.246 3.960 -0.001 0.000 0.686 143 G HA3 0.286 4.246 3.960 -0.001 0.000 0.686 143 G C 1.082 176.091 174.900 0.181 0.000 1.258 143 G CA -0.016 45.167 45.100 0.140 0.000 0.846 143 G HN 1.646 nan 8.290 nan 0.000 0.596 144 G N 0.596 109.508 108.800 0.187 0.000 2.844 144 G HA2 0.207 4.166 3.960 -0.001 0.000 0.211 144 G HA3 0.207 4.166 3.960 -0.001 0.000 0.211 144 G C 1.746 176.717 174.900 0.120 0.000 1.368 144 G CA 2.131 47.346 45.100 0.191 0.000 0.815 144 G HN 2.449 nan 8.290 nan 0.000 0.649 145 T N -0.607 113.995 114.554 0.079 0.000 3.057 145 T HA 0.386 4.735 4.350 -0.001 0.000 0.232 145 T C 1.235 175.975 174.700 0.066 0.000 1.018 145 T CA 0.963 63.093 62.100 0.050 0.000 1.506 145 T CB -0.745 68.147 68.868 0.039 0.000 1.063 145 T HN 1.788 nan 8.240 nan 0.000 0.613 146 G N 1.812 110.657 108.800 0.076 0.000 2.336 146 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.194 146 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.194 146 G C 1.026 176.082 174.900 0.260 0.000 0.999 146 G CA 0.547 45.732 45.100 0.143 0.000 0.669 146 G HN 1.003 nan 8.290 nan 0.000 0.482 147 S N 0.169 116.000 115.700 0.218 0.000 2.404 147 S HA 0.301 4.771 4.470 -0.001 0.000 0.223 147 S C 2.288 177.054 174.600 0.277 0.000 1.040 147 S CA 1.884 60.279 58.200 0.326 0.000 0.957 147 S CB -0.289 63.118 63.200 0.345 0.000 0.826 147 S HN 1.284 nan 8.310 nan 0.000 0.491 148 G N 0.921 109.691 108.800 -0.050 0.000 2.559 148 G HA2 0.069 4.028 3.960 -0.001 0.000 0.209 148 G HA3 0.069 4.028 3.960 -0.001 0.000 0.209 148 G C 1.368 176.074 174.900 -0.324 0.000 1.151 148 G CA 0.601 45.291 45.100 -0.684 0.000 0.824 148 G HN 0.494 nan 8.290 nan 0.000 0.543 149 M N 1.515 121.024 119.600 -0.152 0.000 2.066 149 M HA 0.138 4.617 4.480 -0.001 0.000 0.259 149 M C 2.535 178.778 176.300 -0.094 0.000 1.074 149 M CA 2.457 57.681 55.300 -0.127 0.000 1.114 149 M CB -0.747 31.811 32.600 -0.069 0.000 1.306 149 M HN 0.112 nan 8.290 nan 0.000 0.411 150 G N -1.101 107.682 108.800 -0.028 0.000 2.469 150 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 150 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 150 G C 1.386 176.244 174.900 -0.069 0.000 1.150 150 G CA 1.651 46.712 45.100 -0.064 0.000 0.763 150 G HN 0.618 nan 8.290 nan 0.000 0.561 151 T N 0.586 115.162 114.554 0.037 0.000 2.833 151 T HA -0.073 4.276 4.350 -0.001 0.000 0.269 151 T C 2.188 176.950 174.700 0.104 0.000 1.054 151 T CA 1.112 63.274 62.100 0.103 0.000 1.135 151 T CB -0.145 68.878 68.868 0.259 0.000 0.869 151 T HN 0.140 nan 8.240 nan 0.000 0.466 152 L N 0.926 122.173 121.223 0.041 0.000 2.023 152 L HA 0.199 4.538 4.340 -0.001 0.000 0.205 152 L C 2.259 179.030 176.870 -0.166 0.000 1.073 152 L CA 1.286 56.014 54.840 -0.188 0.000 0.745 152 L CB -1.101 40.605 42.059 -0.590 0.000 0.900 152 L HN 0.184 nan 8.230 nan 0.000 0.435 153 L N 0.090 121.216 121.223 -0.161 0.000 2.011 153 L HA -0.325 4.015 4.340 -0.001 0.000 0.225 153 L C 2.660 179.435 176.870 -0.160 0.000 1.084 153 L CA 2.785 57.528 54.840 -0.163 0.000 0.791 153 L CB -0.786 41.179 42.059 -0.156 0.000 0.898 153 L HN 0.535 nan 8.230 nan 0.000 0.440 154 I N -3.545 116.943 120.570 -0.138 0.000 2.163 154 I HA -0.258 3.911 4.170 -0.001 0.000 0.243 154 I C 2.360 178.423 176.117 -0.090 0.000 1.085 154 I CA 1.760 62.984 61.300 -0.126 0.000 1.347 154 I CB -0.818 37.123 38.000 -0.097 0.000 1.044 154 I HN 0.059 nan 8.210 nan 0.000 0.408 155 S N 0.143 115.807 115.700 -0.060 0.000 2.641 155 S HA -0.007 4.463 4.470 -0.001 0.000 0.239 155 S C 1.545 176.099 174.600 -0.078 0.000 0.972 155 S CA 0.778 58.951 58.200 -0.045 0.000 0.954 155 S CB -0.265 62.935 63.200 -0.000 0.000 0.767 155 S HN 0.445 nan 8.310 nan 0.000 0.539 156 K N -0.483 119.854 120.400 -0.106 0.000 2.511 156 K HA 0.243 4.563 4.320 -0.001 0.000 0.209 156 K C 1.201 177.734 176.600 -0.113 0.000 1.301 156 K CA -0.139 56.078 56.287 -0.116 0.000 0.967 156 K CB 0.257 32.672 32.500 -0.141 0.000 1.109 156 K HN 0.256 nan 8.250 nan 0.000 0.561 157 I N 1.470 121.965 120.570 -0.125 0.000 2.146 157 I HA -0.095 4.074 4.170 -0.001 0.000 0.231 157 I C 1.056 177.177 176.117 0.005 0.000 1.063 157 I CA 0.792 62.025 61.300 -0.113 0.000 1.340 157 I CB -0.759 37.031 38.000 -0.349 0.000 1.100 157 I HN 0.056 nan 8.210 nan 0.000 0.403 158 R N 1.902 122.402 120.500 0.000 0.000 2.614 158 R HA -0.146 4.194 4.340 -0.001 0.000 0.335 158 R C 0.857 177.151 176.300 -0.009 0.000 0.859 158 R CA 0.899 57.019 56.100 0.033 0.000 1.123 158 R CB 0.017 30.323 30.300 0.011 0.000 0.887 158 R HN 0.447 nan 8.270 nan 0.000 0.407 159 E N 1.231 121.424 120.200 -0.012 0.000 3.376 159 E HA -0.165 4.184 4.350 -0.001 0.000 0.142 159 E C 0.290 176.827 176.600 -0.105 0.000 0.601 159 E CA 0.452 56.821 56.400 -0.052 0.000 2.970 159 E CB -0.865 28.796 29.700 -0.065 0.000 1.416 159 E HN 0.667 nan 8.360 nan 0.000 0.768 160 E N -0.862 119.233 120.200 -0.174 0.000 2.431 160 E HA 0.098 4.447 4.350 -0.001 0.000 0.200 160 E C -0.480 175.774 176.600 -0.577 0.000 0.995 160 E CA 0.228 56.375 56.400 -0.422 0.000 0.915 160 E CB 0.613 29.973 29.700 -0.567 0.000 0.930 160 E HN 0.164 nan 8.360 nan 0.000 0.496 161 Y N -0.689 119.636 120.300 0.043 0.000 2.544 161 Y HA 0.240 4.789 4.550 -0.001 0.000 0.347 161 Y C -2.246 173.703 175.900 0.082 0.000 1.089 161 Y CA -1.555 56.608 58.100 0.105 0.000 1.230 161 Y CB 1.509 40.129 38.460 0.266 0.000 1.101 161 Y HN 0.064 nan 8.280 nan 0.000 0.641 162 P HA -0.017 nan 4.420 nan 0.000 0.239 162 P C 0.624 177.976 177.300 0.088 0.000 1.188 162 P CA 0.906 64.061 63.100 0.091 0.000 0.794 162 P CB 0.549 32.274 31.700 0.042 0.000 0.937 163 D N 0.450 120.911 120.400 0.100 0.000 2.085 163 D HA -0.074 4.565 4.640 -0.001 0.000 0.199 163 D C 0.833 177.174 176.300 0.069 0.000 0.981 163 D CA 0.970 55.012 54.000 0.071 0.000 0.834 163 D CB -0.831 40.005 40.800 0.061 0.000 0.992 163 D HN 0.115 nan 8.370 nan 0.000 0.457 164 R N 1.216 121.775 120.500 0.098 0.000 2.641 164 R HA 0.407 4.746 4.340 -0.001 0.000 0.269 164 R C 0.774 177.115 176.300 0.068 0.000 1.074 164 R CA -0.380 55.741 56.100 0.035 0.000 1.133 164 R CB 0.781 31.051 30.300 -0.050 0.000 1.029 164 R HN 0.311 nan 8.270 nan 0.000 0.488 165 I N -1.835 118.739 120.570 0.008 0.000 2.924 165 I HA 0.467 4.637 4.170 -0.001 0.000 0.316 165 I C -0.166 175.998 176.117 0.078 0.000 1.014 165 I CA -0.970 60.353 61.300 0.040 0.000 1.106 165 I CB 1.425 39.429 38.000 0.008 0.000 1.311 165 I HN 0.170 nan 8.210 nan 0.000 0.502 166 M N 3.756 123.394 119.600 0.064 0.000 2.134 166 M HA 0.453 4.932 4.480 -0.001 0.000 0.310 166 M C -1.369 174.935 176.300 0.008 0.000 0.966 166 M CA -0.215 55.132 55.300 0.077 0.000 0.922 166 M CB 0.827 33.460 32.600 0.056 0.000 1.537 166 M HN 0.791 nan 8.290 nan 0.000 0.424 167 N N 1.767 120.484 118.700 0.029 0.000 2.225 167 N HA 0.737 5.476 4.740 -0.001 0.000 0.298 167 N C -1.406 174.098 175.510 -0.011 0.000 1.076 167 N CA -0.036 52.998 53.050 -0.027 0.000 0.792 167 N CB 1.950 40.457 38.487 0.033 0.000 1.498 167 N HN 0.667 nan 8.380 nan 0.000 0.474 168 T N -0.764 113.738 114.554 -0.087 0.000 2.894 168 T HA 0.597 4.946 4.350 -0.001 0.000 0.309 168 T C -1.451 173.228 174.700 -0.035 0.000 1.208 168 T CA -0.605 61.515 62.100 0.033 0.000 1.016 168 T CB 0.286 69.203 68.868 0.082 0.000 1.192 168 T HN 0.167 nan 8.240 nan 0.000 0.491 169 F N 1.985 122.121 119.950 0.309 0.000 2.375 169 F HA 0.585 5.111 4.527 -0.001 0.000 0.361 169 F C 0.507 176.477 175.800 0.283 0.000 1.117 169 F CA -0.594 57.586 58.000 0.300 0.000 1.037 169 F CB 1.838 40.948 39.000 0.184 0.000 1.192 169 F HN 0.635 nan 8.300 nan 0.000 0.452 170 S N 2.422 118.316 115.700 0.323 0.000 2.449 170 S HA 0.571 5.040 4.470 -0.001 0.000 0.310 170 S C -0.436 174.178 174.600 0.023 0.000 1.096 170 S CA -0.943 57.298 58.200 0.067 0.000 1.095 170 S CB 1.576 64.831 63.200 0.091 0.000 1.007 170 S HN 0.369 nan 8.310 nan 0.000 0.474 171 V N 1.309 121.186 119.914 -0.061 0.000 2.304 171 V HA 0.401 4.520 4.120 -0.001 0.000 0.262 171 V C -0.072 175.996 176.094 -0.043 0.000 1.061 171 V CA -0.917 61.377 62.300 -0.010 0.000 0.872 171 V CB -0.054 31.784 31.823 0.024 0.000 1.077 171 V HN 0.618 nan 8.190 nan 0.000 0.480 172 V N 7.496 127.382 119.914 -0.047 0.000 2.455 172 V HA 0.316 4.435 4.120 -0.001 0.000 0.273 172 V C -1.473 174.598 176.094 -0.039 0.000 1.045 172 V CA -1.153 61.105 62.300 -0.070 0.000 0.976 172 V CB 0.866 32.604 31.823 -0.142 0.000 0.993 172 V HN 0.729 nan 8.190 nan 0.000 0.475 173 P HA 0.354 nan 4.420 nan 0.000 0.278 173 P C -0.341 176.952 177.300 -0.010 0.000 1.258 173 P CA -0.324 62.779 63.100 0.005 0.000 0.811 173 P CB 1.621 33.337 31.700 0.026 0.000 1.063 174 S N 0.065 115.759 115.700 -0.010 0.000 2.748 174 S HA 0.616 5.086 4.470 -0.001 0.000 0.299 174 S C -2.028 172.551 174.600 -0.034 0.000 1.119 174 S CA -1.195 56.983 58.200 -0.035 0.000 0.997 174 S CB 0.556 63.719 63.200 -0.062 0.000 1.223 174 S HN 0.266 nan 8.310 nan 0.000 0.541 175 P HA 0.254 nan 4.420 nan 0.000 0.259 175 P C -0.745 176.497 177.300 -0.096 0.000 1.233 175 P CA 0.242 63.310 63.100 -0.054 0.000 0.827 175 P CB -0.109 31.564 31.700 -0.046 0.000 1.154 176 K N 0.025 120.330 120.400 -0.160 0.000 2.265 176 K HA 0.472 4.791 4.320 -0.001 0.000 0.267 176 K C -0.200 176.217 176.600 -0.304 0.000 0.994 176 K CA -1.005 55.106 56.287 -0.294 0.000 0.860 176 K CB 1.701 33.915 32.500 -0.477 0.000 1.099 176 K HN -0.355 nan 8.250 nan 0.000 0.448 177 V N 1.578 121.354 119.914 -0.231 0.000 5.691 177 V HA -0.280 3.839 4.120 -0.001 0.000 0.288 177 V C 0.062 176.130 176.094 -0.044 0.000 0.615 177 V CA 1.514 63.739 62.300 -0.125 0.000 0.619 177 V CB -2.089 29.673 31.823 -0.101 0.000 0.296 177 V HN 1.047 nan 8.190 nan 0.000 0.834 178 S N -0.856 114.832 115.700 -0.020 0.000 2.739 178 S HA 0.624 5.094 4.470 -0.001 0.000 0.306 178 S C 0.534 175.157 174.600 0.038 0.000 1.115 178 S CA -0.164 58.058 58.200 0.037 0.000 0.985 178 S CB 2.442 65.651 63.200 0.015 0.000 1.133 178 S HN 0.339 nan 8.310 nan 0.000 0.541 179 D N 0.144 120.572 120.400 0.048 0.000 2.470 179 D HA 0.197 4.836 4.640 -0.001 0.000 0.238 179 D C -0.134 176.160 176.300 -0.010 0.000 1.054 179 D CA 0.768 54.789 54.000 0.034 0.000 0.896 179 D CB 0.607 41.438 40.800 0.051 0.000 1.118 179 D HN 0.596 nan 8.370 nan 0.000 0.497 180 T N 0.350 114.891 114.554 -0.021 0.000 2.893 180 T HA 0.302 4.651 4.350 -0.001 0.000 0.291 180 T C 0.784 175.457 174.700 -0.045 0.000 1.028 180 T CA -0.588 61.470 62.100 -0.069 0.000 0.995 180 T CB 3.048 71.860 68.868 -0.094 0.000 1.051 180 T HN -0.285 nan 8.240 nan 0.000 0.470 181 V N 1.639 121.519 119.914 -0.056 0.000 3.337 181 V HA 0.074 4.193 4.120 -0.001 0.000 0.343 181 V C 1.805 177.911 176.094 0.019 0.000 1.302 181 V CA -0.045 62.276 62.300 0.035 0.000 1.268 181 V CB -1.044 30.870 31.823 0.151 0.000 1.185 181 V HN 0.831 nan 8.190 nan 0.000 0.447 182 V N -3.382 116.474 119.914 -0.097 0.000 3.354 182 V HA 0.112 4.231 4.120 -0.001 0.000 0.258 182 V C 1.995 178.121 176.094 0.052 0.000 1.159 182 V CA 0.784 63.027 62.300 -0.096 0.000 1.125 182 V CB -0.010 31.766 31.823 -0.078 0.000 0.774 182 V HN 0.429 nan 8.190 nan 0.000 0.464 183 E N 1.935 122.172 120.200 0.061 0.000 2.119 183 E HA -0.214 4.135 4.350 -0.001 0.000 0.221 183 E C -0.044 176.645 176.600 0.147 0.000 1.062 183 E CA 3.400 59.858 56.400 0.097 0.000 0.894 183 E CB -1.694 28.042 29.700 0.060 0.000 0.785 183 E HN 0.552 nan 8.360 nan 0.000 0.472 184 P HA -0.269 nan 4.420 nan 0.000 0.218 184 P C 1.082 178.607 177.300 0.374 0.000 1.165 184 P CA 1.924 65.195 63.100 0.284 0.000 0.922 184 P CB -0.422 31.532 31.700 0.423 0.000 0.794 185 Y N -0.213 120.269 120.300 0.303 0.000 2.062 185 Y HA -0.293 4.257 4.550 -0.001 0.000 0.276 185 Y C 2.663 178.456 175.900 -0.179 0.000 1.189 185 Y CA 0.956 59.159 58.100 0.172 0.000 1.130 185 Y CB -0.940 37.710 38.460 0.316 0.000 0.959 185 Y HN 0.041 nan 8.280 nan 0.000 0.499 186 N N 0.172 118.974 118.700 0.170 0.000 2.058 186 N HA -0.183 4.557 4.740 -0.001 0.000 0.191 186 N C 2.008 177.457 175.510 -0.102 0.000 1.037 186 N CA 1.275 54.365 53.050 0.066 0.000 0.848 186 N CB -0.711 37.922 38.487 0.243 0.000 1.021 186 N HN 0.354 nan 8.380 nan 0.000 0.422 187 A N 1.183 123.980 122.820 -0.039 0.000 1.849 187 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 187 A C 2.294 179.752 177.584 -0.211 0.000 1.202 187 A CA 2.663 54.652 52.037 -0.080 0.000 0.629 187 A CB -1.415 17.558 19.000 -0.044 0.000 0.834 187 A HN 0.429 nan 8.150 nan 0.000 0.447 188 T N -0.097 114.263 114.554 -0.324 0.000 2.946 188 T HA -0.064 4.285 4.350 -0.001 0.000 0.271 188 T C 1.596 175.897 174.700 -0.666 0.000 1.104 188 T CA 1.359 63.130 62.100 -0.549 0.000 1.114 188 T CB -0.257 68.012 68.868 -0.998 0.000 0.867 188 T HN 0.332 nan 8.240 nan 0.000 0.513 189 L N -0.031 120.726 121.223 -0.778 0.000 2.253 189 L HA 0.071 4.410 4.340 -0.001 0.000 0.205 189 L C 2.708 179.035 176.870 -0.905 0.000 1.078 189 L CA 0.526 54.671 54.840 -1.157 0.000 0.805 189 L CB -0.105 40.802 42.059 -1.919 0.000 0.963 189 L HN 0.181 nan 8.230 nan 0.000 0.459 190 S N -0.674 114.722 115.700 -0.506 0.000 2.357 190 S HA -0.160 4.309 4.470 -0.001 0.000 0.221 190 S C 1.857 176.456 174.600 -0.002 0.000 1.031 190 S CA 0.973 59.191 58.200 0.030 0.000 0.982 190 S CB -0.187 63.141 63.200 0.214 0.000 0.853 190 S HN 0.169 nan 8.310 nan 0.000 0.458 191 V N 2.197 122.071 119.914 -0.067 0.000 2.568 191 V HA -0.216 3.904 4.120 -0.001 0.000 0.253 191 V C 2.333 178.422 176.094 -0.008 0.000 1.072 191 V CA 2.125 64.409 62.300 -0.027 0.000 1.084 191 V CB -0.626 31.167 31.823 -0.050 0.000 0.676 191 V HN 0.561 nan 8.190 nan 0.000 0.469 192 H N 0.140 119.089 119.070 -0.200 0.000 2.276 192 H HA -0.155 4.400 4.556 -0.001 0.000 0.301 192 H C 2.229 177.511 175.328 -0.077 0.000 1.073 192 H CA 2.535 58.475 56.048 -0.181 0.000 1.311 192 H CB -0.484 29.110 29.762 -0.279 0.000 1.379 192 H HN 0.429 nan 8.280 nan 0.000 0.494 193 Q N 0.256 119.932 119.800 -0.207 0.000 2.029 193 Q HA -0.144 4.195 4.340 -0.001 0.000 0.209 193 Q C 2.643 178.644 176.000 0.001 0.000 0.999 193 Q CA 2.114 57.825 55.803 -0.153 0.000 0.857 193 Q CB -0.517 28.230 28.738 0.014 0.000 0.926 193 Q HN 0.451 nan 8.270 nan 0.000 0.415 194 L N -0.433 120.843 121.223 0.089 0.000 1.997 194 L HA -0.282 4.058 4.340 -0.001 0.000 0.227 194 L C 2.309 179.279 176.870 0.167 0.000 1.087 194 L CA 2.094 57.036 54.840 0.169 0.000 0.797 194 L CB -1.198 41.023 42.059 0.270 0.000 0.902 194 L HN 0.279 nan 8.230 nan 0.000 0.441 195 V N -0.346 119.698 119.914 0.217 0.000 2.636 195 V HA -0.277 3.842 4.120 -0.001 0.000 0.258 195 V C 2.290 178.406 176.094 0.038 0.000 1.092 195 V CA 1.830 64.230 62.300 0.166 0.000 1.110 195 V CB -0.296 31.617 31.823 0.151 0.000 0.685 195 V HN 0.480 nan 8.190 nan 0.000 0.481 196 E N -0.450 119.772 120.200 0.036 0.000 2.413 196 E HA 0.112 4.462 4.350 -0.001 0.000 0.203 196 E C 0.535 177.132 176.600 -0.005 0.000 0.957 196 E CA 0.425 56.833 56.400 0.013 0.000 0.950 196 E CB 0.153 29.857 29.700 0.006 0.000 0.957 196 E HN 0.803 nan 8.360 nan 0.000 0.497 197 N N 1.012 119.708 118.700 -0.007 0.000 2.390 197 N HA 0.029 4.768 4.740 -0.001 0.000 0.259 197 N C -0.328 175.172 175.510 -0.017 0.000 1.395 197 N CA 0.026 53.069 53.050 -0.011 0.000 0.852 197 N CB 1.131 39.612 38.487 -0.009 0.000 1.371 197 N HN -0.094 nan 8.380 nan 0.000 0.491 198 T N -2.227 112.304 114.554 -0.038 0.000 2.863 198 T HA 0.410 4.759 4.350 -0.001 0.000 0.285 198 T C -0.007 174.628 174.700 -0.109 0.000 1.009 198 T CA -0.540 61.521 62.100 -0.065 0.000 0.989 198 T CB 2.300 71.126 68.868 -0.071 0.000 1.004 198 T HN -0.261 nan 8.240 nan 0.000 0.455 199 D N 0.812 121.156 120.400 -0.093 0.000 2.333 199 D HA 0.108 4.747 4.640 -0.001 0.000 0.208 199 D C 0.582 176.793 176.300 -0.148 0.000 0.984 199 D CA 0.510 54.457 54.000 -0.089 0.000 0.873 199 D CB 0.267 41.044 40.800 -0.038 0.000 0.935 199 D HN 0.894 nan 8.370 nan 0.000 0.521 200 E N -1.343 118.713 120.200 -0.240 0.000 2.422 200 E HA 0.434 4.783 4.350 -0.001 0.000 0.289 200 E C -1.313 174.948 176.600 -0.566 0.000 0.985 200 E CA -0.750 55.373 56.400 -0.461 0.000 0.812 200 E CB 1.170 30.701 29.700 -0.281 0.000 1.226 200 E HN -0.276 nan 8.360 nan 0.000 0.419 201 T N 1.903 116.011 114.554 -0.744 0.000 2.893 201 T HA 0.430 4.779 4.350 -0.001 0.000 0.293 201 T C -1.470 172.892 174.700 -0.562 0.000 1.027 201 T CA -0.483 61.351 62.100 -0.443 0.000 0.988 201 T CB 0.749 69.675 68.868 0.096 0.000 1.043 201 T HN 0.340 nan 8.240 nan 0.000 0.461 202 Y N 1.285 121.449 120.300 -0.227 0.000 2.327 202 Y HA 0.389 4.939 4.550 -0.001 0.000 0.336 202 Y C 0.690 176.628 175.900 0.063 0.000 1.035 202 Y CA -0.900 57.160 58.100 -0.067 0.000 1.165 202 Y CB 0.520 38.911 38.460 -0.115 0.000 1.181 202 Y HN 0.591 nan 8.280 nan 0.000 0.494 203 C N 4.841 124.289 119.300 0.248 0.000 2.255 203 C HA 0.596 5.055 4.460 -0.001 0.000 0.326 203 C C -0.083 174.998 174.990 0.152 0.000 1.258 203 C CA -1.347 57.750 59.018 0.132 0.000 1.676 203 C CB -1.663 26.065 27.740 -0.020 0.000 2.314 203 C HN 0.564 nan 8.230 nan 0.000 0.509 204 I N 3.606 124.262 120.570 0.143 0.000 2.306 204 I HA 0.236 4.405 4.170 -0.001 0.000 0.288 204 I C 0.314 176.459 176.117 0.048 0.000 1.036 204 I CA 0.374 61.743 61.300 0.115 0.000 1.221 204 I CB 0.308 38.396 38.000 0.146 0.000 1.385 204 I HN 0.651 nan 8.210 nan 0.000 0.472 205 D N 5.666 126.076 120.400 0.017 0.000 2.249 205 D HA 0.132 4.771 4.640 -0.001 0.000 0.246 205 D C 0.441 176.752 176.300 0.018 0.000 1.114 205 D CA -0.190 53.800 54.000 -0.016 0.000 0.854 205 D CB 1.005 41.765 40.800 -0.066 0.000 1.132 205 D HN 0.511 nan 8.370 nan 0.000 0.461 206 N N 2.659 121.376 118.700 0.028 0.000 2.289 206 N HA -0.137 4.603 4.740 -0.001 0.000 0.184 206 N C 1.071 176.624 175.510 0.071 0.000 1.016 206 N CA 0.722 53.809 53.050 0.062 0.000 0.872 206 N CB 0.358 38.888 38.487 0.071 0.000 0.973 206 N HN 0.606 nan 8.380 nan 0.000 0.433 207 E N 1.297 121.515 120.200 0.030 0.000 2.058 207 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 207 E C 2.045 178.685 176.600 0.067 0.000 0.997 207 E CA 1.099 57.515 56.400 0.027 0.000 0.801 207 E CB -0.132 29.556 29.700 -0.019 0.000 0.746 207 E HN 0.366 nan 8.360 nan 0.000 0.450 208 A N 1.314 124.159 122.820 0.042 0.000 1.873 208 A HA -0.130 4.189 4.320 -0.001 0.000 0.215 208 A C 2.223 179.844 177.584 0.062 0.000 1.186 208 A CA 0.843 52.905 52.037 0.042 0.000 0.616 208 A CB -0.581 18.433 19.000 0.024 0.000 0.823 208 A HN 0.117 nan 8.150 nan 0.000 0.442 209 L N -1.814 119.450 121.223 0.067 0.000 2.081 209 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 209 L C 2.340 179.266 176.870 0.093 0.000 1.080 209 L CA 2.068 56.947 54.840 0.066 0.000 0.754 209 L CB -0.766 41.335 42.059 0.070 0.000 0.893 209 L HN 0.606 nan 8.230 nan 0.000 0.433 210 Y N -0.331 119.972 120.300 0.006 0.000 2.206 210 Y HA -0.172 4.377 4.550 -0.001 0.000 0.292 210 Y C 2.417 178.346 175.900 0.048 0.000 1.123 210 Y CA 1.561 59.674 58.100 0.022 0.000 1.142 210 Y CB -0.096 38.373 38.460 0.014 0.000 1.006 210 Y HN 0.215 nan 8.280 nan 0.000 0.518 211 D N 0.213 120.761 120.400 0.245 0.000 2.123 211 D HA -0.203 4.436 4.640 -0.001 0.000 0.196 211 D C 2.060 178.385 176.300 0.042 0.000 0.992 211 D CA 1.901 55.986 54.000 0.142 0.000 0.833 211 D CB -0.092 40.760 40.800 0.086 0.000 0.954 211 D HN 0.381 nan 8.370 nan 0.000 0.455 212 I N 0.564 121.151 120.570 0.028 0.000 2.454 212 I HA -0.236 3.934 4.170 -0.001 0.000 0.254 212 I C 2.499 178.613 176.117 -0.005 0.000 1.156 212 I CA 0.680 61.983 61.300 0.005 0.000 1.433 212 I CB -0.029 37.973 38.000 0.003 0.000 1.082 212 I HN 0.075 nan 8.210 nan 0.000 0.432 213 C N -1.035 118.247 119.300 -0.030 0.000 2.485 213 C HA -0.014 4.445 4.460 -0.001 0.000 0.277 213 C C 2.327 177.312 174.990 -0.008 0.000 1.376 213 C CA 0.273 59.255 59.018 -0.059 0.000 1.759 213 C CB -0.639 27.008 27.740 -0.156 0.000 1.970 213 C HN 0.586 nan 8.230 nan 0.000 0.509 214 F N 1.338 121.159 119.950 -0.214 0.000 2.495 214 F HA 0.255 4.781 4.527 -0.001 0.000 0.272 214 F C 2.363 178.113 175.800 -0.084 0.000 0.919 214 F CA 1.265 59.154 58.000 -0.185 0.000 1.178 214 F CB -1.118 37.695 39.000 -0.311 0.000 1.030 214 F HN -0.062 nan 8.300 nan 0.000 0.777 215 R N 0.518 120.938 120.500 -0.132 0.000 2.193 215 R HA 0.064 4.403 4.340 -0.001 0.000 0.229 215 R C 0.721 176.967 176.300 -0.090 0.000 1.110 215 R CA 1.832 57.806 56.100 -0.210 0.000 0.988 215 R CB -2.166 28.041 30.300 -0.155 0.000 0.871 215 R HN 0.449 nan 8.270 nan 0.000 0.458 216 T N -4.577 109.960 114.554 -0.029 0.000 3.905 216 T HA 0.543 4.893 4.350 -0.001 0.000 0.227 216 T C 0.012 174.720 174.700 0.013 0.000 1.055 216 T CA 0.347 62.441 62.100 -0.009 0.000 1.607 216 T CB 0.029 68.889 68.868 -0.013 0.000 0.781 216 T HN 1.185 nan 8.240 nan 0.000 0.639 217 L N -1.946 119.296 121.223 0.033 0.000 4.102 217 L HA 0.830 5.169 4.340 -0.001 0.000 0.434 217 L C 1.472 178.369 176.870 0.044 0.000 1.149 217 L CA 0.515 55.374 54.840 0.033 0.000 1.466 217 L CB -1.263 40.809 42.059 0.022 0.000 1.412 217 L HN 1.055 nan 8.230 nan 0.000 0.562 218 K N -1.934 118.509 120.400 0.071 0.000 3.539 218 K HA 0.060 4.379 4.320 -0.001 0.000 0.283 218 K C 1.678 178.316 176.600 0.063 0.000 1.072 218 K CA 2.674 59.008 56.287 0.079 0.000 1.092 218 K CB -2.993 29.531 32.500 0.041 0.000 1.433 218 K HN 2.611 nan 8.250 nan 0.000 0.429 219 L N 2.509 123.742 121.223 0.017 0.000 2.530 219 L HA 0.540 4.879 4.340 -0.001 0.000 0.273 219 L C 1.993 178.695 176.870 -0.281 0.000 1.141 219 L CA 0.980 55.764 54.840 -0.093 0.000 0.905 219 L CB -0.942 41.060 42.059 -0.094 0.000 1.202 219 L HN 0.800 nan 8.230 nan 0.000 0.473 220 T N 0.207 114.557 114.554 -0.340 0.000 2.732 220 T HA -0.039 4.310 4.350 -0.001 0.000 0.261 220 T C 1.034 175.369 174.700 -0.608 0.000 1.040 220 T CA 1.631 63.366 62.100 -0.608 0.000 1.145 220 T CB -0.206 68.459 68.868 -0.337 0.000 0.866 220 T HN 0.744 nan 8.240 nan 0.000 0.427 221 T N 3.824 118.174 114.554 -0.340 0.000 2.929 221 T HA 0.421 4.770 4.350 -0.001 0.000 0.331 221 T C -2.672 171.899 174.700 -0.215 0.000 1.120 221 T CA -1.184 60.769 62.100 -0.246 0.000 0.973 221 T CB 0.975 69.754 68.868 -0.148 0.000 1.036 221 T HN 0.115 nan 8.240 nan 0.000 0.502 222 P HA 0.189 nan 4.420 nan 0.000 0.269 222 P C 0.429 177.639 177.300 -0.151 0.000 1.252 222 P CA -0.209 62.753 63.100 -0.230 0.000 0.780 222 P CB 0.044 31.525 31.700 -0.366 0.000 0.829 223 T N 1.549 116.043 114.554 -0.100 0.000 2.649 223 T HA -0.097 4.252 4.350 -0.001 0.000 0.337 223 T C 0.928 175.596 174.700 -0.053 0.000 1.070 223 T CA 0.277 62.351 62.100 -0.044 0.000 1.052 223 T CB 0.224 69.092 68.868 0.001 0.000 0.994 223 T HN 0.328 nan 8.240 nan 0.000 0.544 224 Y N 0.158 120.470 120.300 0.019 0.000 2.395 224 Y HA 0.079 4.628 4.550 -0.001 0.000 0.293 224 Y C 2.494 178.412 175.900 0.030 0.000 1.123 224 Y CA 0.781 58.900 58.100 0.031 0.000 1.227 224 Y CB -0.292 38.187 38.460 0.030 0.000 1.012 224 Y HN 0.832 nan 8.280 nan 0.000 0.552 225 G N -0.211 108.688 108.800 0.166 0.000 2.607 225 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.215 225 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.215 225 G C 0.498 175.450 174.900 0.088 0.000 1.275 225 G CA 0.474 45.640 45.100 0.110 0.000 0.842 225 G HN 0.315 nan 8.290 nan 0.000 0.555 226 D N -0.007 120.420 120.400 0.045 0.000 2.501 226 D HA 0.373 5.012 4.640 -0.001 0.000 0.268 226 D C 0.889 177.205 176.300 0.027 0.000 1.361 226 D CA 0.865 54.886 54.000 0.035 0.000 1.258 226 D CB -0.235 40.555 40.800 -0.016 0.000 1.136 226 D HN 0.678 nan 8.370 nan 0.000 0.528 227 L N -0.749 120.512 121.223 0.064 0.000 1.227 227 L HA -0.085 4.254 4.340 -0.001 0.000 0.059 227 L C 1.330 178.233 176.870 0.055 0.000 1.492 227 L CA 0.610 55.472 54.840 0.037 0.000 1.140 227 L CB -0.835 41.242 42.059 0.029 0.000 2.319 227 L HN 0.291 nan 8.230 nan 0.000 0.445 228 N N 0.562 119.321 118.700 0.100 0.000 2.043 228 N HA -0.214 4.525 4.740 -0.001 0.000 0.193 228 N C 1.721 177.257 175.510 0.043 0.000 1.037 228 N CA 1.847 54.951 53.050 0.090 0.000 0.851 228 N CB -0.597 37.962 38.487 0.120 0.000 1.027 228 N HN 0.794 nan 8.380 nan 0.000 0.422 229 H N 0.760 119.821 119.070 -0.015 0.000 2.466 229 H HA -0.147 4.408 4.556 -0.001 0.000 0.297 229 H C 1.963 177.226 175.328 -0.107 0.000 1.113 229 H CA 0.890 56.907 56.048 -0.052 0.000 1.273 229 H CB -0.202 29.529 29.762 -0.052 0.000 1.371 229 H HN 0.067 nan 8.280 nan 0.000 0.528 230 L N 1.002 121.985 121.223 -0.401 0.000 1.943 230 L HA -0.218 4.121 4.340 -0.001 0.000 0.215 230 L C 3.115 179.790 176.870 -0.324 0.000 1.074 230 L CA 1.835 56.423 54.840 -0.420 0.000 0.759 230 L CB -1.045 40.896 42.059 -0.196 0.000 0.888 230 L HN 0.207 nan 8.230 nan 0.000 0.433 231 V N -0.832 118.988 119.914 -0.156 0.000 2.324 231 V HA -0.327 3.793 4.120 -0.001 0.000 0.250 231 V C 2.676 178.694 176.094 -0.126 0.000 1.060 231 V CA 1.831 64.074 62.300 -0.095 0.000 1.042 231 V CB -1.715 30.095 31.823 -0.022 0.000 0.650 231 V HN 0.706 nan 8.190 nan 0.000 0.450 232 S N 2.128 117.764 115.700 -0.108 0.000 2.392 232 S HA -0.307 4.162 4.470 -0.001 0.000 0.225 232 S C 2.170 176.683 174.600 -0.144 0.000 1.041 232 S CA 2.383 60.540 58.200 -0.073 0.000 1.100 232 S CB -0.978 62.209 63.200 -0.021 0.000 1.029 232 S HN 0.793 nan 8.310 nan 0.000 0.424 233 A N 1.234 123.880 122.820 -0.290 0.000 1.958 233 A HA -0.094 4.225 4.320 -0.001 0.000 0.221 233 A C 2.476 179.860 177.584 -0.332 0.000 1.178 233 A CA 2.549 54.349 52.037 -0.395 0.000 0.642 233 A CB -1.931 16.623 19.000 -0.743 0.000 0.816 233 A HN 0.712 nan 8.150 nan 0.000 0.453 234 T N 0.048 114.409 114.554 -0.321 0.000 2.622 234 T HA -0.198 4.151 4.350 -0.001 0.000 0.266 234 T C 1.949 176.684 174.700 0.057 0.000 1.047 234 T CA 1.796 63.898 62.100 0.004 0.000 1.159 234 T CB -0.336 68.536 68.868 0.007 0.000 0.863 234 T HN 0.461 nan 8.240 nan 0.000 0.422 235 M N 1.392 120.956 119.600 -0.060 0.000 2.144 235 M HA -0.159 4.320 4.480 -0.001 0.000 0.260 235 M C 2.715 179.039 176.300 0.040 0.000 1.067 235 M CA 1.606 56.828 55.300 -0.130 0.000 1.095 235 M CB -0.645 31.736 32.600 -0.365 0.000 1.365 235 M HN 0.400 nan 8.290 nan 0.000 0.406 236 S N 0.718 116.456 115.700 0.063 0.000 2.363 236 S HA -0.145 4.325 4.470 -0.001 0.000 0.218 236 S C 1.972 176.646 174.600 0.123 0.000 1.035 236 S CA 1.771 60.008 58.200 0.060 0.000 1.043 236 S CB -1.193 62.029 63.200 0.037 0.000 0.986 236 S HN 0.544 nan 8.310 nan 0.000 0.423 237 G N -0.092 108.823 108.800 0.193 0.000 2.615 237 G HA2 0.010 3.969 3.960 -0.001 0.000 0.213 237 G HA3 0.010 3.969 3.960 -0.001 0.000 0.213 237 G C 1.163 176.131 174.900 0.114 0.000 1.135 237 G CA 0.900 46.103 45.100 0.172 0.000 0.772 237 G HN 0.542 nan 8.290 nan 0.000 0.542 238 V N 0.494 120.473 119.914 0.109 0.000 3.125 238 V HA -0.017 4.103 4.120 -0.001 0.000 0.249 238 V C 2.826 179.001 176.094 0.136 0.000 1.113 238 V CA 1.899 64.248 62.300 0.082 0.000 1.106 238 V CB 0.149 31.952 31.823 -0.034 0.000 0.768 238 V HN 0.521 nan 8.190 nan 0.000 0.468 239 T N -2.681 111.961 114.554 0.147 0.000 3.044 239 T HA -0.094 4.255 4.350 -0.001 0.000 0.255 239 T C 1.840 176.624 174.700 0.140 0.000 1.073 239 T CA 1.133 63.333 62.100 0.166 0.000 1.125 239 T CB -0.347 68.594 68.868 0.121 0.000 0.908 239 T HN 0.482 nan 8.240 nan 0.000 0.480 240 T N 2.301 116.946 114.554 0.152 0.000 2.083 240 T HA -0.421 3.928 4.350 -0.001 0.000 0.175 240 T C 1.960 176.811 174.700 0.253 0.000 1.737 240 T CA 2.002 64.252 62.100 0.251 0.000 0.972 240 T CB -1.870 67.117 68.868 0.198 0.000 0.803 240 T HN 0.547 nan 8.240 nan 0.000 0.424 241 C N 2.254 121.667 119.300 0.189 0.000 2.396 241 C HA -0.052 4.407 4.460 -0.001 0.000 0.277 241 C C 2.713 177.799 174.990 0.161 0.000 1.231 241 C CA 1.194 60.312 59.018 0.167 0.000 1.775 241 C CB -1.912 25.897 27.740 0.115 0.000 2.036 241 C HN 0.736 nan 8.230 nan 0.000 0.484 242 L N -0.178 121.142 121.223 0.161 0.000 2.478 242 L HA 0.108 4.447 4.340 -0.001 0.000 0.223 242 L C 2.190 179.162 176.870 0.169 0.000 1.140 242 L CA 1.409 56.347 54.840 0.165 0.000 0.842 242 L CB -0.939 41.235 42.059 0.191 0.000 0.953 242 L HN 0.200 nan 8.230 nan 0.000 0.452 243 R N -1.221 119.345 120.500 0.109 0.000 2.223 243 R HA 0.243 4.583 4.340 -0.001 0.000 0.198 243 R C 0.887 177.119 176.300 -0.113 0.000 0.984 243 R CA 0.626 56.702 56.100 -0.040 0.000 1.018 243 R CB 0.005 30.138 30.300 -0.278 0.000 0.945 243 R HN 0.322 nan 8.270 nan 0.000 0.479 244 F N 0.320 120.330 119.950 0.100 0.000 2.914 244 F HA 0.281 4.807 4.527 -0.001 0.000 0.151 244 F C -1.349 174.476 175.800 0.042 0.000 1.533 244 F CA -1.453 56.575 58.000 0.046 0.000 0.998 244 F CB -0.225 38.779 39.000 0.007 0.000 1.957 244 F HN -0.198 nan 8.300 nan 0.000 0.325 245 P HA 0.207 nan 4.420 nan 0.000 0.330 245 P C 0.377 177.744 177.300 0.112 0.000 1.414 245 P CA 0.464 63.661 63.100 0.161 0.000 0.878 245 P CB -0.091 31.659 31.700 0.083 0.000 2.176 246 G N -1.931 106.914 108.800 0.074 0.000 2.556 246 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.209 246 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.209 246 G C 0.400 175.329 174.900 0.048 0.000 1.159 246 G CA 0.132 45.266 45.100 0.056 0.000 0.828 246 G HN 0.289 nan 8.290 nan 0.000 0.553 247 Q N 1.455 121.280 119.800 0.042 0.000 2.256 247 Q HA 0.265 4.604 4.340 -0.001 0.000 0.281 247 Q C 1.305 177.331 176.000 0.043 0.000 1.162 247 Q CA 0.504 56.328 55.803 0.034 0.000 0.943 247 Q CB 0.098 28.852 28.738 0.026 0.000 1.195 247 Q HN 0.556 nan 8.270 nan 0.000 0.403 248 L N 0.561 121.804 121.223 0.033 0.000 3.782 248 L HA -0.525 3.814 4.340 -0.001 0.000 0.053 248 L C 0.962 177.858 176.870 0.043 0.000 4.256 248 L CA 1.404 56.264 54.840 0.032 0.000 0.725 248 L CB -1.439 40.637 42.059 0.028 0.000 3.466 248 L HN 0.664 nan 8.230 nan 0.000 0.901 249 N N 0.027 118.764 118.700 0.062 0.000 2.926 249 N HA -0.181 4.558 4.740 -0.001 0.000 0.192 249 N C 0.438 175.991 175.510 0.072 0.000 1.055 249 N CA 2.114 55.209 53.050 0.076 0.000 1.022 249 N CB -0.976 37.551 38.487 0.067 0.000 0.974 249 N HN 2.296 nan 8.380 nan 0.000 0.569 250 A N 0.823 123.675 122.820 0.053 0.000 1.888 250 A HA -0.172 4.148 4.320 -0.001 0.000 0.243 250 A C 0.124 177.737 177.584 0.049 0.000 1.351 250 A CA 1.193 53.261 52.037 0.051 0.000 0.702 250 A CB -1.437 17.604 19.000 0.069 0.000 1.185 250 A HN 0.424 nan 8.150 nan 0.000 0.265 251 D N 1.475 121.892 120.400 0.027 0.000 2.403 251 D HA 0.262 4.901 4.640 -0.001 0.000 0.260 251 D C 1.306 177.615 176.300 0.015 0.000 1.243 251 D CA 0.419 54.428 54.000 0.015 0.000 0.918 251 D CB -0.032 40.767 40.800 -0.001 0.000 0.939 251 D HN 1.239 nan 8.370 nan 0.000 0.507 252 L N -1.194 120.052 121.223 0.038 0.000 4.775 252 L HA -0.483 3.857 4.340 -0.001 0.000 0.388 252 L C 1.945 178.828 176.870 0.023 0.000 1.571 252 L CA 1.914 56.781 54.840 0.045 0.000 2.261 252 L CB -0.660 41.418 42.059 0.031 0.000 1.390 252 L HN 0.122 nan 8.230 nan 0.000 0.654 253 R N 0.256 120.758 120.500 0.004 0.000 2.097 253 R HA -0.135 4.205 4.340 -0.001 0.000 0.236 253 R C 2.387 178.684 176.300 -0.006 0.000 1.135 253 R CA 3.097 59.195 56.100 -0.004 0.000 0.934 253 R CB -0.872 29.422 30.300 -0.010 0.000 0.846 253 R HN 0.618 nan 8.270 nan 0.000 0.431 254 K N 0.842 121.240 120.400 -0.004 0.000 2.074 254 K HA -0.057 4.262 4.320 -0.001 0.000 0.209 254 K C 1.957 178.546 176.600 -0.018 0.000 1.048 254 K CA 1.734 58.015 56.287 -0.011 0.000 0.926 254 K CB -1.218 31.280 32.500 -0.003 0.000 0.713 254 K HN 0.342 nan 8.250 nan 0.000 0.444 255 L N -0.279 120.943 121.223 -0.002 0.000 2.693 255 L HA 0.263 4.602 4.340 -0.001 0.000 0.242 255 L C 1.739 178.604 176.870 -0.009 0.000 1.157 255 L CA 0.928 55.760 54.840 -0.012 0.000 0.929 255 L CB -0.652 41.428 42.059 0.035 0.000 1.103 255 L HN 0.475 nan 8.230 nan 0.000 0.430 256 A N -0.817 121.999 122.820 -0.007 0.000 2.042 256 A HA 0.035 4.354 4.320 -0.001 0.000 0.204 256 A C 1.357 178.925 177.584 -0.027 0.000 1.712 256 A CA 0.263 52.306 52.037 0.011 0.000 0.890 256 A CB -0.204 18.803 19.000 0.011 0.000 1.176 256 A HN 0.055 nan 8.150 nan 0.000 0.573 257 V N 1.809 121.700 119.914 -0.038 0.000 3.394 257 V HA 0.100 4.219 4.120 -0.001 0.000 0.340 257 V C 0.647 176.697 176.094 -0.073 0.000 1.174 257 V CA 1.269 63.534 62.300 -0.058 0.000 1.368 257 V CB -1.285 30.510 31.823 -0.048 0.000 1.111 257 V HN 0.595 nan 8.190 nan 0.000 0.420 258 N N -0.404 118.244 118.700 -0.087 0.000 1.983 258 N HA 0.123 4.862 4.740 -0.001 0.000 0.234 258 N C 1.197 176.619 175.510 -0.147 0.000 1.339 258 N CA 0.021 53.007 53.050 -0.107 0.000 0.826 258 N CB 0.685 39.116 38.487 -0.094 0.000 1.156 258 N HN 0.328 nan 8.380 nan 0.000 0.468 259 M N 0.818 120.324 119.600 -0.158 0.000 2.615 259 M HA 0.266 4.745 4.480 -0.001 0.000 0.262 259 M C 0.393 176.623 176.300 -0.115 0.000 1.198 259 M CA 0.662 55.821 55.300 -0.235 0.000 1.165 259 M CB 0.207 32.531 32.600 -0.460 0.000 1.310 259 M HN -0.091 nan 8.290 nan 0.000 0.494 260 V N -0.912 118.968 119.914 -0.056 0.000 2.409 260 V HA 0.430 4.550 4.120 -0.001 0.000 0.291 260 V C -2.204 173.775 176.094 -0.193 0.000 1.020 260 V CA -1.304 60.964 62.300 -0.054 0.000 0.848 260 V CB 1.107 32.954 31.823 0.040 0.000 0.990 260 V HN 0.037 nan 8.190 nan 0.000 0.430 261 P HA 0.262 nan 4.420 nan 0.000 0.227 261 P C -0.334 176.362 177.300 -1.006 0.000 1.161 261 P CA 0.721 63.430 63.100 -0.653 0.000 0.788 261 P CB 0.103 31.409 31.700 -0.658 0.000 0.822 262 F N -1.000 118.796 119.950 -0.258 0.000 2.565 262 F HA 0.343 4.869 4.527 -0.001 0.000 0.313 262 F C -1.459 174.326 175.800 -0.026 0.000 1.091 262 F CA -2.468 55.418 58.000 -0.190 0.000 0.915 262 F CB 1.726 40.512 39.000 -0.357 0.000 1.208 262 F HN -0.305 nan 8.300 nan 0.000 0.453 263 P HA -0.221 nan 4.420 nan 0.000 0.216 263 P C 0.664 178.016 177.300 0.087 0.000 1.154 263 P CA 1.357 64.518 63.100 0.103 0.000 0.865 263 P CB 0.090 31.848 31.700 0.096 0.000 0.789 264 R N 0.896 121.476 120.500 0.134 0.000 4.825 264 R HA -0.007 4.332 4.340 -0.001 0.000 0.189 264 R C 1.589 177.757 176.300 -0.220 0.000 2.283 264 R CA 0.122 56.194 56.100 -0.047 0.000 1.847 264 R CB -1.773 28.463 30.300 -0.107 0.000 1.229 264 R HN 0.324 nan 8.270 nan 0.000 0.742 265 L N -1.379 119.768 121.223 -0.128 0.000 4.884 265 L HA -0.380 3.959 4.340 -0.001 0.000 0.454 265 L C -0.155 176.390 176.870 -0.542 0.000 1.029 265 L CA 1.603 56.245 54.840 -0.330 0.000 0.871 265 L CB -1.562 40.224 42.059 -0.455 0.000 1.554 265 L HN 0.564 nan 8.230 nan 0.000 1.034 266 H N -0.006 118.729 119.070 -0.559 0.000 2.288 266 H HA -0.176 4.379 4.556 -0.001 0.000 0.268 266 H C -0.097 175.057 175.328 -0.290 0.000 0.710 266 H CA 1.532 57.462 56.048 -0.197 0.000 0.894 266 H CB -0.770 28.988 29.762 -0.008 0.000 1.405 266 H HN 0.403 nan 8.280 nan 0.000 0.248 267 F N 3.776 123.848 119.950 0.203 0.000 2.422 267 F HA 0.380 4.906 4.527 -0.001 0.000 0.333 267 F C 0.675 176.549 175.800 0.124 0.000 1.095 267 F CA -0.993 56.937 58.000 -0.117 0.000 1.038 267 F CB 0.609 39.642 39.000 0.054 0.000 1.156 267 F HN 0.206 nan 8.300 nan 0.000 0.483 268 F N 2.879 123.000 119.950 0.284 0.000 2.410 268 F HA 0.471 4.997 4.527 -0.001 0.000 0.348 268 F C 0.348 176.354 175.800 0.344 0.000 1.106 268 F CA -1.209 56.958 58.000 0.278 0.000 1.163 268 F CB 0.811 39.923 39.000 0.186 0.000 1.129 268 F HN 0.305 nan 8.300 nan 0.000 0.516 269 M N 3.768 123.685 119.600 0.528 0.000 2.180 269 M HA 0.448 4.927 4.480 -0.001 0.000 0.358 269 M C -2.779 173.843 176.300 0.537 0.000 1.233 269 M CA -1.792 53.769 55.300 0.436 0.000 1.114 269 M CB 0.323 33.126 32.600 0.339 0.000 1.594 269 M HN 0.189 nan 8.290 nan 0.000 0.467 270 P HA 0.712 nan 4.420 nan 0.000 0.293 270 P C -0.387 177.110 177.300 0.329 0.000 1.304 270 P CA -0.408 62.963 63.100 0.451 0.000 0.767 270 P CB 0.946 32.835 31.700 0.316 0.000 1.247 271 G N -1.579 107.379 108.800 0.262 0.000 2.702 271 G HA2 0.501 4.461 3.960 -0.001 0.000 0.296 271 G HA3 0.501 4.461 3.960 -0.001 0.000 0.296 271 G C -2.220 172.737 174.900 0.095 0.000 1.463 271 G CA -0.260 44.853 45.100 0.022 0.000 0.890 271 G HN 0.350 nan 8.290 nan 0.000 0.534 272 F N 0.977 120.874 119.950 -0.089 0.000 2.585 272 F HA 0.799 5.326 4.527 -0.001 0.000 0.350 272 F C 1.101 176.834 175.800 -0.112 0.000 1.074 272 F CA 0.237 58.186 58.000 -0.085 0.000 1.032 272 F CB 2.066 41.023 39.000 -0.071 0.000 1.330 272 F HN 0.723 nan 8.300 nan 0.000 0.495 273 A N 1.142 123.641 122.820 -0.536 0.000 3.129 273 A HA 0.454 4.773 4.320 -0.001 0.000 0.200 273 A C -2.353 175.261 177.584 0.049 0.000 1.924 273 A CA -0.050 51.816 52.037 -0.285 0.000 0.781 273 A CB -1.413 17.305 19.000 -0.470 0.000 1.283 273 A HN 0.487 nan 8.150 nan 0.000 0.467 274 P HA 0.598 nan 4.420 nan 0.000 0.290 274 P C -1.488 175.972 177.300 0.265 0.000 1.275 274 P CA -0.263 62.938 63.100 0.168 0.000 0.841 274 P CB 1.275 33.048 31.700 0.122 0.000 1.042 275 L N -0.301 121.013 121.223 0.151 0.000 2.359 275 L HA 0.893 5.232 4.340 -0.001 0.000 0.256 275 L C -0.362 176.562 176.870 0.090 0.000 1.026 275 L CA -0.638 54.254 54.840 0.087 0.000 0.828 275 L CB 0.886 42.972 42.059 0.046 0.000 1.406 275 L HN 0.435 nan 8.230 nan 0.000 0.413 276 T N -1.141 113.490 114.554 0.129 0.000 0.572 276 T HA 0.071 4.421 4.350 -0.001 0.000 0.771 276 T C 0.600 175.385 174.700 0.142 0.000 0.992 276 T CA 0.346 62.548 62.100 0.170 0.000 4.063 276 T CB -0.852 68.060 68.868 0.074 0.000 2.296 276 T HN 1.698 nan 8.240 nan 0.000 0.397 277 S N 3.619 119.366 115.700 0.078 0.000 2.767 277 S HA -0.444 4.026 4.470 -0.001 0.000 0.535 277 S C 1.310 175.814 174.600 -0.161 0.000 0.927 277 S CA 2.940 61.057 58.200 -0.139 0.000 3.369 277 S CB -0.521 62.639 63.200 -0.066 0.000 2.336 277 S HN 1.191 nan 8.310 nan 0.000 0.547 278 R N -0.464 119.994 120.500 -0.071 0.000 2.357 278 R HA 0.294 4.633 4.340 -0.001 0.000 0.094 278 R C 1.845 178.134 176.300 -0.018 0.000 0.858 278 R CA 0.456 56.524 56.100 -0.054 0.000 2.620 278 R CB -0.696 29.561 30.300 -0.072 0.000 1.431 278 R HN 0.567 nan 8.270 nan 0.000 0.514 279 G N 0.235 109.028 108.800 -0.012 0.000 3.094 279 G HA2 0.273 4.232 3.960 -0.001 0.000 0.208 279 G HA3 0.273 4.232 3.960 -0.001 0.000 0.208 279 G C -0.002 174.907 174.900 0.016 0.000 1.189 279 G CA 1.151 46.250 45.100 -0.001 0.000 0.856 279 G HN 0.193 nan 8.290 nan 0.000 0.510 280 S N -2.177 113.539 115.700 0.027 0.000 2.535 280 S HA 0.067 4.536 4.470 -0.001 0.000 0.284 280 S C -0.419 174.223 174.600 0.071 0.000 1.015 280 S CA 0.120 58.350 58.200 0.050 0.000 1.139 280 S CB -0.552 62.683 63.200 0.058 0.000 1.358 280 S HN 0.273 nan 8.310 nan 0.000 0.446 281 Q N 0.380 120.244 119.800 0.107 0.000 2.461 281 Q HA -0.183 4.156 4.340 -0.001 0.000 0.273 281 Q C -0.048 176.031 176.000 0.132 0.000 1.163 281 Q CA 1.577 57.459 55.803 0.132 0.000 0.929 281 Q CB -1.082 27.709 28.738 0.089 0.000 1.334 281 Q HN 0.526 nan 8.270 nan 0.000 0.499 282 Q N -1.180 118.690 119.800 0.117 0.000 3.135 282 Q HA 0.054 4.393 4.340 -0.001 0.000 0.344 282 Q C -0.026 176.036 176.000 0.104 0.000 1.321 282 Q CA -0.256 55.606 55.803 0.099 0.000 1.050 282 Q CB -0.200 28.573 28.738 0.058 0.000 1.498 282 Q HN 0.547 nan 8.270 nan 0.000 0.503 283 Y N 1.991 122.306 120.300 0.025 0.000 2.395 283 Y HA -0.035 4.514 4.550 -0.001 0.000 0.293 283 Y C 1.843 177.756 175.900 0.022 0.000 1.123 283 Y CA 1.726 59.839 58.100 0.021 0.000 1.227 283 Y CB 0.390 38.864 38.460 0.023 0.000 1.012 283 Y HN 0.626 nan 8.280 nan 0.000 0.552 284 R N -1.399 119.216 120.500 0.192 0.000 1.373 284 R HA -0.284 4.056 4.340 -0.001 0.000 0.053 284 R C 0.901 177.293 176.300 0.153 0.000 0.951 284 R CA 0.932 57.108 56.100 0.127 0.000 1.972 284 R CB -2.063 28.277 30.300 0.067 0.000 0.285 284 R HN 0.225 nan 8.270 nan 0.000 0.723 285 A N 1.859 124.813 122.820 0.224 0.000 3.395 285 A HA 0.142 4.461 4.320 -0.001 0.000 0.280 285 A C 0.332 177.998 177.584 0.137 0.000 2.142 285 A CA 0.846 53.013 52.037 0.216 0.000 1.474 285 A CB -0.761 18.447 19.000 0.347 0.000 0.834 285 A HN 0.245 nan 8.150 nan 0.000 0.574 286 L N 1.604 122.884 121.223 0.096 0.000 2.825 286 L HA 0.152 4.492 4.340 -0.001 0.000 0.236 286 L C 1.715 178.624 176.870 0.065 0.000 1.301 286 L CA -0.079 54.800 54.840 0.064 0.000 0.977 286 L CB 0.301 42.400 42.059 0.066 0.000 1.300 286 L HN 0.585 nan 8.230 nan 0.000 0.486 287 T N -0.379 114.210 114.554 0.058 0.000 2.718 287 T HA -0.227 4.122 4.350 -0.001 0.000 0.266 287 T C 1.590 176.328 174.700 0.063 0.000 1.033 287 T CA 2.226 64.360 62.100 0.057 0.000 1.151 287 T CB 0.129 69.025 68.868 0.046 0.000 0.853 287 T HN 0.402 nan 8.240 nan 0.000 0.466 288 V N -1.880 118.085 119.914 0.084 0.000 0.367 288 V HA -0.157 3.963 4.120 -0.001 0.000 0.092 288 V C -1.752 174.424 176.094 0.137 0.000 2.791 288 V CA 0.568 62.943 62.300 0.123 0.000 3.840 288 V CB -1.791 30.079 31.823 0.079 0.000 1.088 288 V HN 0.176 nan 8.190 nan 0.000 1.147 289 P HA -0.157 nan 4.420 nan 0.000 0.212 289 P C 1.418 178.777 177.300 0.099 0.000 1.178 289 P CA 2.345 65.501 63.100 0.094 0.000 0.915 289 P CB -0.089 31.647 31.700 0.061 0.000 0.788 290 E N -0.818 119.425 120.200 0.071 0.000 2.171 290 E HA -0.205 4.144 4.350 -0.001 0.000 0.197 290 E C 2.078 178.714 176.600 0.060 0.000 0.997 290 E CA 0.874 57.306 56.400 0.053 0.000 0.810 290 E CB -0.774 28.944 29.700 0.030 0.000 0.738 290 E HN 0.245 nan 8.360 nan 0.000 0.467 291 L N 1.098 122.373 121.223 0.087 0.000 1.993 291 L HA -0.178 4.161 4.340 -0.001 0.000 0.206 291 L C 2.713 179.630 176.870 0.078 0.000 1.074 291 L CA 2.127 57.011 54.840 0.072 0.000 0.746 291 L CB -0.676 41.456 42.059 0.122 0.000 0.896 291 L HN 0.166 nan 8.230 nan 0.000 0.435 292 T N -2.114 112.553 114.554 0.188 0.000 2.597 292 T HA -0.320 4.029 4.350 -0.001 0.000 0.267 292 T C 1.797 176.643 174.700 0.242 0.000 1.053 292 T CA 1.710 63.968 62.100 0.264 0.000 1.165 292 T CB -0.911 68.188 68.868 0.384 0.000 0.863 292 T HN 0.421 nan 8.240 nan 0.000 0.427 293 Q N 1.115 121.028 119.800 0.189 0.000 2.082 293 Q HA -0.301 4.039 4.340 -0.001 0.000 0.211 293 Q C 2.449 178.514 176.000 0.108 0.000 1.002 293 Q CA 2.323 58.216 55.803 0.149 0.000 0.868 293 Q CB -0.518 28.276 28.738 0.093 0.000 0.931 293 Q HN 0.756 nan 8.270 nan 0.000 0.414 294 Q N -0.257 119.576 119.800 0.056 0.000 2.364 294 Q HA -0.041 4.298 4.340 -0.001 0.000 0.207 294 Q C 1.881 177.858 176.000 -0.037 0.000 0.970 294 Q CA 0.656 56.465 55.803 0.011 0.000 0.888 294 Q CB 0.097 28.836 28.738 0.002 0.000 0.951 294 Q HN 0.349 nan 8.270 nan 0.000 0.469 295 M N -1.101 118.459 119.600 -0.066 0.000 2.357 295 M HA 0.053 4.532 4.480 -0.001 0.000 0.266 295 M C 0.077 176.135 176.300 -0.404 0.000 1.095 295 M CA 0.845 55.998 55.300 -0.246 0.000 1.156 295 M CB 0.467 32.870 32.600 -0.328 0.000 1.365 295 M HN 0.199 nan 8.290 nan 0.000 0.447 296 F N 0.912 120.812 119.950 -0.083 0.000 2.701 296 F HA 0.130 4.656 4.527 -0.001 0.000 0.295 296 F C -0.067 175.689 175.800 -0.074 0.000 1.165 296 F CA -0.484 57.468 58.000 -0.080 0.000 1.399 296 F CB -0.023 39.034 39.000 0.094 0.000 0.996 296 F HN 0.012 nan 8.300 nan 0.000 0.513 297 D N -0.288 120.116 120.400 0.006 0.000 2.168 297 D HA 0.450 5.089 4.640 -0.001 0.000 0.246 297 D C 0.991 177.272 176.300 -0.033 0.000 1.050 297 D CA 0.040 54.043 54.000 0.005 0.000 0.857 297 D CB 1.821 42.620 40.800 -0.002 0.000 1.169 297 D HN 0.128 nan 8.370 nan 0.000 0.453 298 A N 3.920 126.730 122.820 -0.016 0.000 1.859 298 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 298 A C 1.954 179.523 177.584 -0.025 0.000 1.209 298 A CA 2.694 54.719 52.037 -0.020 0.000 0.639 298 A CB -1.300 17.692 19.000 -0.013 0.000 0.835 298 A HN 0.627 nan 8.150 nan 0.000 0.450 299 K N -0.228 120.160 120.400 -0.020 0.000 2.664 299 K HA 0.007 4.327 4.320 -0.001 0.000 0.193 299 K C 0.978 177.566 176.600 -0.020 0.000 1.028 299 K CA 1.271 57.547 56.287 -0.019 0.000 1.005 299 K CB -0.886 31.603 32.500 -0.018 0.000 0.815 299 K HN 0.603 nan 8.250 nan 0.000 0.496 300 N N -0.697 117.984 118.700 -0.033 0.000 2.116 300 N HA 0.123 4.862 4.740 -0.001 0.000 0.230 300 N C -0.697 174.774 175.510 -0.065 0.000 1.326 300 N CA -0.154 52.871 53.050 -0.040 0.000 0.867 300 N CB 0.344 38.803 38.487 -0.047 0.000 1.174 300 N HN 0.206 nan 8.380 nan 0.000 0.506 301 M N 0.571 120.133 119.600 -0.064 0.000 2.283 301 M HA 0.256 4.736 4.480 -0.001 0.000 0.314 301 M C 1.353 177.657 176.300 0.007 0.000 1.153 301 M CA -0.217 55.047 55.300 -0.060 0.000 1.084 301 M CB 0.607 33.184 32.600 -0.039 0.000 1.468 301 M HN -0.106 nan 8.290 nan 0.000 0.474 302 M N 0.704 120.335 119.600 0.053 0.000 2.541 302 M HA 0.235 4.714 4.480 -0.001 0.000 0.252 302 M C 0.074 176.416 176.300 0.069 0.000 1.125 302 M CA 0.106 55.453 55.300 0.077 0.000 1.091 302 M CB -0.872 31.804 32.600 0.127 0.000 1.420 302 M HN 0.629 nan 8.290 nan 0.000 0.486 303 A N -0.032 122.824 122.820 0.060 0.000 2.342 303 A HA 0.803 5.122 4.320 -0.001 0.000 0.323 303 A C -0.159 177.423 177.584 -0.005 0.000 1.125 303 A CA -0.747 51.301 52.037 0.018 0.000 0.785 303 A CB 0.610 19.617 19.000 0.011 0.000 1.221 303 A HN 0.284 nan 8.150 nan 0.000 0.463 304 A N 0.893 123.695 122.820 -0.031 0.000 2.507 304 A HA 0.442 4.761 4.320 -0.001 0.000 0.281 304 A C 0.044 177.595 177.584 -0.055 0.000 1.154 304 A CA 0.417 52.429 52.037 -0.041 0.000 0.828 304 A CB -1.374 17.595 19.000 -0.052 0.000 1.069 304 A HN 1.472 nan 8.150 nan 0.000 0.522 305 C N 2.401 121.679 119.300 -0.037 0.000 3.193 305 C HA 0.265 4.724 4.460 -0.001 0.000 0.443 305 C C -1.888 173.097 174.990 -0.007 0.000 0.949 305 C CA -1.033 57.969 59.018 -0.026 0.000 1.110 305 C CB 1.603 29.344 27.740 0.001 0.000 1.558 305 C HN 0.893 nan 8.230 nan 0.000 0.643 306 D N 2.943 123.342 120.400 -0.001 0.000 2.446 306 D HA 0.344 4.984 4.640 -0.001 0.000 0.251 306 D C -2.557 173.754 176.300 0.017 0.000 1.137 306 D CA -1.436 52.574 54.000 0.016 0.000 0.890 306 D CB 0.903 41.726 40.800 0.039 0.000 1.071 306 D HN 0.144 nan 8.370 nan 0.000 0.528 307 P HA -0.080 nan 4.420 nan 0.000 0.265 307 P C 0.706 177.836 177.300 -0.283 0.000 1.167 307 P CA 0.391 63.377 63.100 -0.190 0.000 0.760 307 P CB 0.752 32.323 31.700 -0.215 0.000 0.783 308 R N 0.569 120.777 120.500 -0.487 0.000 1.170 308 R HA -0.116 4.223 4.340 -0.001 0.000 0.018 308 R C 1.315 177.234 176.300 -0.635 0.000 0.960 308 R CA 0.446 56.101 56.100 -0.742 0.000 1.988 308 R CB -1.702 28.291 30.300 -0.512 0.000 0.147 308 R HN 0.617 nan 8.270 nan 0.000 0.731 309 H N 0.364 119.287 119.070 -0.244 0.000 2.574 309 H HA 0.402 4.957 4.556 -0.001 0.000 0.277 309 H C 0.256 175.545 175.328 -0.065 0.000 1.058 309 H CA 1.264 57.239 56.048 -0.122 0.000 1.171 309 H CB 0.261 29.974 29.762 -0.081 0.000 1.304 309 H HN 0.341 nan 8.280 nan 0.000 0.620 310 G N 0.733 109.505 108.800 -0.047 0.000 2.750 310 G HA2 0.285 4.244 3.960 -0.001 0.000 0.298 310 G HA3 0.285 4.244 3.960 -0.001 0.000 0.298 310 G C -0.604 174.253 174.900 -0.071 0.000 1.412 310 G CA -1.027 44.088 45.100 0.025 0.000 1.078 310 G HN 0.066 nan 8.290 nan 0.000 0.573 311 R N 0.706 121.240 120.500 0.058 0.000 2.707 311 R HA 0.308 4.647 4.340 -0.001 0.000 0.270 311 R C -0.809 175.553 176.300 0.104 0.000 1.083 311 R CA -0.247 55.892 56.100 0.065 0.000 1.182 311 R CB 0.980 31.395 30.300 0.193 0.000 1.084 311 R HN 0.562 nan 8.270 nan 0.000 0.528 312 Y N 0.494 120.917 120.300 0.205 0.000 2.320 312 Y HA 0.031 4.581 4.550 -0.001 0.000 0.334 312 Y C 1.001 177.030 175.900 0.215 0.000 1.055 312 Y CA -0.940 57.327 58.100 0.278 0.000 1.143 312 Y CB 1.332 40.048 38.460 0.426 0.000 1.193 312 Y HN 0.363 nan 8.280 nan 0.000 0.477 313 L N 1.830 123.246 121.223 0.323 0.000 2.013 313 L HA 0.026 4.365 4.340 -0.001 0.000 0.204 313 L C 1.008 177.871 176.870 -0.011 0.000 1.081 313 L CA 1.533 56.410 54.840 0.062 0.000 0.751 313 L CB -0.558 41.541 42.059 0.067 0.000 0.901 313 L HN 0.752 nan 8.230 nan 0.000 0.440 314 T N -3.313 111.245 114.554 0.007 0.000 2.923 314 T HA 0.675 5.025 4.350 -0.001 0.000 0.311 314 T C -0.992 173.619 174.700 -0.148 0.000 1.183 314 T CA -0.676 61.364 62.100 -0.100 0.000 1.020 314 T CB 1.910 70.684 68.868 -0.157 0.000 1.165 314 T HN -0.168 nan 8.240 nan 0.000 0.482 315 V N 1.080 120.869 119.914 -0.208 0.000 2.888 315 V HA 0.876 4.995 4.120 -0.001 0.000 0.309 315 V C -0.633 175.280 176.094 -0.303 0.000 1.114 315 V CA -0.686 61.411 62.300 -0.337 0.000 0.940 315 V CB 2.013 33.634 31.823 -0.337 0.000 1.021 315 V HN 1.469 nan 8.190 nan 0.000 0.426 316 A N 3.411 125.992 122.820 -0.398 0.000 2.343 316 A HA 0.991 5.310 4.320 -0.001 0.000 0.308 316 A C -0.495 176.916 177.584 -0.289 0.000 1.092 316 A CA -0.132 51.746 52.037 -0.266 0.000 0.751 316 A CB 1.665 20.526 19.000 -0.231 0.000 1.203 316 A HN 1.587 nan 8.150 nan 0.000 0.452 317 A N 1.626 124.361 122.820 -0.141 0.000 2.374 317 A HA 0.735 5.055 4.320 -0.001 0.000 0.305 317 A C -0.543 177.013 177.584 -0.045 0.000 1.053 317 A CA -0.231 51.721 52.037 -0.142 0.000 0.726 317 A CB 1.292 20.241 19.000 -0.084 0.000 1.229 317 A HN 2.249 nan 8.150 nan 0.000 0.431 318 V N 1.356 121.192 119.914 -0.129 0.000 2.628 318 V HA 0.924 5.043 4.120 -0.001 0.000 0.306 318 V C -1.306 174.679 176.094 -0.180 0.000 1.045 318 V CA -0.838 61.450 62.300 -0.021 0.000 0.905 318 V CB 1.161 32.991 31.823 0.012 0.000 0.997 318 V HN 0.639 nan 8.190 nan 0.000 0.436 319 F N 4.058 123.972 119.950 -0.059 0.000 2.440 319 F HA 0.864 5.391 4.527 -0.001 0.000 0.328 319 F C 0.445 176.200 175.800 -0.075 0.000 1.070 319 F CA -0.658 57.299 58.000 -0.071 0.000 1.011 319 F CB 1.848 40.819 39.000 -0.047 0.000 1.226 319 F HN 0.534 nan 8.300 nan 0.000 0.491 320 R N 0.566 121.114 120.500 0.079 0.000 2.510 320 R HA 0.653 4.993 4.340 -0.001 0.000 0.294 320 R C -0.387 175.918 176.300 0.009 0.000 1.056 320 R CA -0.071 56.031 56.100 0.002 0.000 0.918 320 R CB 1.551 31.823 30.300 -0.045 0.000 1.187 320 R HN 0.949 nan 8.270 nan 0.000 0.437 321 G N 2.251 111.044 108.800 -0.011 0.000 2.291 321 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.249 321 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.249 321 G C -1.492 173.400 174.900 -0.013 0.000 1.340 321 G CA -1.063 44.031 45.100 -0.010 0.000 1.017 321 G HN 0.400 nan 8.290 nan 0.000 0.470 322 R N 1.412 121.909 120.500 -0.004 0.000 2.666 322 R HA 0.445 4.784 4.340 -0.001 0.000 0.275 322 R C 0.631 176.929 176.300 -0.003 0.000 1.266 322 R CA -0.259 55.836 56.100 -0.008 0.000 1.401 322 R CB 0.422 30.718 30.300 -0.007 0.000 1.145 322 R HN 0.725 nan 8.270 nan 0.000 0.581 323 M N -1.188 118.406 119.600 -0.010 0.000 3.007 323 M HA 0.538 5.018 4.480 -0.001 0.000 0.306 323 M C -0.848 175.428 176.300 -0.040 0.000 1.315 323 M CA -0.768 54.521 55.300 -0.019 0.000 0.883 323 M CB 1.433 34.025 32.600 -0.013 0.000 1.944 323 M HN 0.083 nan 8.290 nan 0.000 0.501 324 S N -0.254 115.408 115.700 -0.063 0.000 2.736 324 S HA 0.483 4.952 4.470 -0.001 0.000 0.285 324 S C 0.306 174.834 174.600 -0.121 0.000 1.163 324 S CA -0.766 57.389 58.200 -0.075 0.000 1.025 324 S CB 1.089 64.257 63.200 -0.052 0.000 1.030 324 S HN 0.715 nan 8.310 nan 0.000 0.486 325 M N 1.724 121.247 119.600 -0.129 0.000 2.419 325 M HA -0.106 4.373 4.480 -0.001 0.000 0.260 325 M C 2.482 178.714 176.300 -0.113 0.000 1.073 325 M CA 2.022 57.233 55.300 -0.148 0.000 1.056 325 M CB -1.403 31.133 32.600 -0.107 0.000 1.394 325 M HN 0.821 nan 8.290 nan 0.000 0.444 326 K N 0.993 121.342 120.400 -0.084 0.000 2.057 326 K HA -0.161 4.159 4.320 -0.001 0.000 0.207 326 K C 1.807 178.367 176.600 -0.066 0.000 1.049 326 K CA 2.118 58.368 56.287 -0.062 0.000 0.931 326 K CB -0.947 31.525 32.500 -0.046 0.000 0.714 326 K HN 0.699 nan 8.250 nan 0.000 0.440 327 E N -0.621 119.530 120.200 -0.081 0.000 2.216 327 E HA 0.014 4.364 4.350 -0.001 0.000 0.192 327 E C 2.026 178.562 176.600 -0.108 0.000 0.973 327 E CA 0.491 56.848 56.400 -0.072 0.000 0.851 327 E CB 0.284 29.951 29.700 -0.055 0.000 0.804 327 E HN 0.232 nan 8.360 nan 0.000 0.477 328 V N 1.849 121.645 119.914 -0.196 0.000 2.270 328 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 328 V C 1.759 177.730 176.094 -0.204 0.000 1.043 328 V CA 2.060 64.160 62.300 -0.333 0.000 1.014 328 V CB -0.373 31.032 31.823 -0.698 0.000 0.645 328 V HN 0.265 nan 8.190 nan 0.000 0.447 329 D N -0.474 119.832 120.400 -0.156 0.000 2.149 329 D HA -0.201 4.438 4.640 -0.001 0.000 0.198 329 D C 2.159 178.428 176.300 -0.052 0.000 0.990 329 D CA 1.525 55.472 54.000 -0.088 0.000 0.839 329 D CB -0.104 40.652 40.800 -0.073 0.000 0.948 329 D HN 0.614 nan 8.370 nan 0.000 0.460 330 E N 0.075 120.243 120.200 -0.052 0.000 2.051 330 E HA -0.239 4.110 4.350 -0.001 0.000 0.192 330 E C 1.942 178.537 176.600 -0.009 0.000 0.991 330 E CA 1.032 57.415 56.400 -0.028 0.000 0.799 330 E CB 0.154 29.837 29.700 -0.028 0.000 0.748 330 E HN -0.033 nan 8.360 nan 0.000 0.449 331 Q N -0.029 119.765 119.800 -0.009 0.000 2.046 331 Q HA -0.105 4.234 4.340 -0.001 0.000 0.200 331 Q C 2.067 178.110 176.000 0.072 0.000 0.975 331 Q CA 1.572 57.397 55.803 0.035 0.000 0.836 331 Q CB -0.219 28.548 28.738 0.048 0.000 0.896 331 Q HN 0.290 nan 8.270 nan 0.000 0.428 332 M N -0.315 119.333 119.600 0.079 0.000 2.106 332 M HA -0.186 4.293 4.480 -0.001 0.000 0.259 332 M C 2.041 178.378 176.300 0.061 0.000 1.068 332 M CA 1.276 56.652 55.300 0.127 0.000 1.100 332 M CB -1.031 31.644 32.600 0.124 0.000 1.351 332 M HN 0.241 nan 8.290 nan 0.000 0.404 333 L N -0.069 121.169 121.223 0.025 0.000 2.046 333 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 333 L C 1.948 178.828 176.870 0.018 0.000 1.077 333 L CA 1.566 56.409 54.840 0.006 0.000 0.747 333 L CB -0.846 41.208 42.059 -0.008 0.000 0.896 333 L HN 0.347 nan 8.230 nan 0.000 0.432 334 N N -1.578 117.137 118.700 0.025 0.000 2.609 334 N HA -0.113 4.627 4.740 -0.001 0.000 0.190 334 N C 1.485 177.017 175.510 0.036 0.000 1.157 334 N CA 0.316 53.383 53.050 0.029 0.000 0.918 334 N CB 0.215 38.719 38.487 0.028 0.000 0.978 334 N HN 0.095 nan 8.380 nan 0.000 0.448 335 V N 0.647 120.582 119.914 0.036 0.000 2.300 335 V HA -0.171 3.948 4.120 -0.001 0.000 0.241 335 V C 1.606 177.739 176.094 0.066 0.000 1.034 335 V CA 1.326 63.629 62.300 0.005 0.000 1.021 335 V CB -0.471 31.286 31.823 -0.111 0.000 0.662 335 V HN 0.449 nan 8.190 nan 0.000 0.458 336 Q N 0.630 120.505 119.800 0.124 0.000 2.518 336 Q HA -0.028 4.311 4.340 -0.001 0.000 0.217 336 Q C 0.927 177.009 176.000 0.137 0.000 0.974 336 Q CA 0.609 56.558 55.803 0.243 0.000 0.971 336 Q CB -0.317 28.417 28.738 -0.007 0.000 0.988 336 Q HN 0.595 nan 8.270 nan 0.000 0.536 337 N N 0.933 119.682 118.700 0.081 0.000 2.782 337 N HA 0.047 4.786 4.740 -0.001 0.000 0.244 337 N C 0.823 176.353 175.510 0.033 0.000 1.029 337 N CA 0.117 53.194 53.050 0.046 0.000 0.999 337 N CB 0.178 38.680 38.487 0.024 0.000 1.634 337 N HN 0.054 nan 8.380 nan 0.000 0.478 338 K N 1.234 121.652 120.400 0.031 0.000 2.633 338 K HA 0.071 4.391 4.320 -0.001 0.000 0.193 338 K C 0.134 176.752 176.600 0.030 0.000 1.033 338 K CA 0.710 57.012 56.287 0.025 0.000 0.980 338 K CB -0.171 32.345 32.500 0.027 0.000 0.800 338 K HN 0.268 nan 8.250 nan 0.000 0.493 339 N N -1.816 116.907 118.700 0.038 0.000 1.986 339 N HA -0.055 4.685 4.740 -0.001 0.000 0.227 339 N C 0.980 176.507 175.510 0.029 0.000 1.387 339 N CA 0.083 53.151 53.050 0.030 0.000 0.810 339 N CB 0.758 39.230 38.487 -0.025 0.000 1.140 339 N HN 0.017 nan 8.380 nan 0.000 0.504 340 S N 0.219 115.965 115.700 0.076 0.000 2.399 340 S HA -0.279 4.191 4.470 -0.001 0.000 0.235 340 S C 1.915 176.528 174.600 0.022 0.000 1.063 340 S CA 1.729 60.000 58.200 0.117 0.000 1.070 340 S CB -0.528 62.699 63.200 0.045 0.000 0.904 340 S HN 0.152 nan 8.310 nan 0.000 0.456 341 S N 1.595 117.175 115.700 -0.199 0.000 2.389 341 S HA -0.135 4.335 4.470 -0.001 0.000 0.229 341 S C 0.373 174.761 174.600 -0.354 0.000 1.048 341 S CA 1.596 59.548 58.200 -0.413 0.000 1.117 341 S CB -0.655 62.031 63.200 -0.857 0.000 1.020 341 S HN 0.790 nan 8.310 nan 0.000 0.430 342 Y N 0.019 120.281 120.300 -0.062 0.000 2.650 342 Y HA 0.573 5.122 4.550 -0.001 0.000 0.343 342 Y C -0.326 175.471 175.900 -0.171 0.000 1.078 342 Y CA -0.668 57.352 58.100 -0.135 0.000 1.356 342 Y CB -0.612 37.692 38.460 -0.260 0.000 1.204 342 Y HN 0.138 nan 8.280 nan 0.000 0.508 343 F N 0.823 120.838 119.950 0.108 0.000 3.693 343 F HA -0.015 4.511 4.527 -0.001 0.000 0.473 343 F C -0.411 175.376 175.800 -0.021 0.000 0.780 343 F CA -0.933 57.123 58.000 0.093 0.000 1.583 343 F CB 0.236 39.281 39.000 0.074 0.000 2.799 343 F HN 0.043 nan 8.300 nan 0.000 0.747 344 V N 2.687 122.669 119.914 0.112 0.000 3.160 344 V HA -0.284 3.835 4.120 -0.001 0.000 0.282 344 V C 0.936 176.899 176.094 -0.218 0.000 1.305 344 V CA 1.511 63.682 62.300 -0.216 0.000 1.365 344 V CB 0.212 31.606 31.823 -0.714 0.000 0.790 344 V HN 0.595 nan 8.190 nan 0.000 0.420 345 E N 5.293 125.452 120.200 -0.069 0.000 2.274 345 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 345 E C 1.617 178.230 176.600 0.023 0.000 0.996 345 E CA 1.328 57.726 56.400 -0.003 0.000 0.840 345 E CB -0.095 29.653 29.700 0.080 0.000 0.772 345 E HN 0.974 nan 8.360 nan 0.000 0.491 346 W N 0.355 121.697 121.300 0.070 0.000 3.310 346 W HA 0.281 4.940 4.660 -0.001 0.000 0.259 346 W C -0.184 176.362 176.519 0.045 0.000 1.324 346 W CA -0.129 57.253 57.345 0.062 0.000 1.636 346 W CB -0.496 29.017 29.460 0.089 0.000 1.104 346 W HN -0.074 nan 8.180 nan 0.000 0.722 347 I N 2.639 123.124 120.570 -0.142 0.000 2.698 347 I HA 0.146 4.315 4.170 -0.001 0.000 0.276 347 I C -1.410 174.632 176.117 -0.125 0.000 1.166 347 I CA -2.052 59.161 61.300 -0.144 0.000 1.101 347 I CB 1.543 39.353 38.000 -0.317 0.000 1.305 347 I HN -0.410 nan 8.210 nan 0.000 0.526 348 P HA -0.199 nan 4.420 nan 0.000 0.218 348 P C 0.403 177.640 177.300 -0.105 0.000 1.165 348 P CA 1.837 64.899 63.100 -0.063 0.000 0.922 348 P CB 0.116 31.795 31.700 -0.036 0.000 0.794 349 N N -1.847 116.786 118.700 -0.112 0.000 2.234 349 N HA 0.050 4.790 4.740 -0.001 0.000 0.227 349 N C 0.540 175.951 175.510 -0.166 0.000 1.151 349 N CA -0.175 52.797 53.050 -0.130 0.000 0.865 349 N CB -0.968 37.462 38.487 -0.096 0.000 1.066 349 N HN 0.283 nan 8.380 nan 0.000 0.515 350 N N -0.299 118.284 118.700 -0.195 0.000 2.653 350 N HA -0.200 4.539 4.740 -0.001 0.000 0.207 350 N C -0.247 175.128 175.510 -0.226 0.000 1.074 350 N CA 0.423 53.346 53.050 -0.213 0.000 0.951 350 N CB 0.033 38.381 38.487 -0.232 0.000 0.956 350 N HN 0.024 nan 8.380 nan 0.000 0.457 351 V N 0.935 120.714 119.914 -0.225 0.000 2.498 351 V HA 0.238 4.358 4.120 -0.001 0.000 0.283 351 V C -1.153 174.879 176.094 -0.105 0.000 1.015 351 V CA -0.760 61.433 62.300 -0.177 0.000 0.867 351 V CB 1.539 33.224 31.823 -0.231 0.000 1.025 351 V HN 0.096 nan 8.190 nan 0.000 0.441 352 K N 3.310 123.662 120.400 -0.080 0.000 2.281 352 K HA 0.808 5.127 4.320 -0.001 0.000 0.242 352 K C -0.644 175.957 176.600 0.002 0.000 0.971 352 K CA -0.609 55.652 56.287 -0.043 0.000 0.834 352 K CB 2.336 34.804 32.500 -0.053 0.000 1.181 352 K HN 0.679 nan 8.250 nan 0.000 0.435 353 T N -1.471 113.103 114.554 0.035 0.000 3.011 353 T HA 0.660 5.009 4.350 -0.001 0.000 0.303 353 T C -0.736 174.022 174.700 0.096 0.000 0.997 353 T CA -0.934 61.234 62.100 0.113 0.000 1.007 353 T CB 1.627 70.573 68.868 0.131 0.000 1.017 353 T HN 0.592 nan 8.240 nan 0.000 0.443 354 A N 2.537 125.444 122.820 0.146 0.000 2.354 354 A HA 0.976 5.296 4.320 -0.001 0.000 0.321 354 A C -0.068 177.619 177.584 0.172 0.000 1.125 354 A CA -0.954 51.148 52.037 0.109 0.000 0.799 354 A CB 1.410 20.453 19.000 0.071 0.000 1.293 354 A HN 1.537 nan 8.150 nan 0.000 0.452 355 V N -1.938 118.028 119.914 0.087 0.000 2.864 355 V HA 0.833 4.953 4.120 -0.001 0.000 0.314 355 V C -0.309 175.803 176.094 0.029 0.000 1.073 355 V CA -0.878 61.466 62.300 0.073 0.000 0.956 355 V CB 0.785 32.605 31.823 -0.005 0.000 1.023 355 V HN 1.527 nan 8.190 nan 0.000 0.435 356 C N 2.819 122.121 119.300 0.003 0.000 2.811 356 C HA 0.576 5.036 4.460 -0.001 0.000 0.352 356 C C 0.569 175.494 174.990 -0.109 0.000 1.098 356 C CA -0.202 58.773 59.018 -0.071 0.000 1.295 356 C CB 1.183 28.851 27.740 -0.118 0.000 1.758 356 C HN 1.059 nan 8.230 nan 0.000 0.488 357 D N 2.672 122.997 120.400 -0.126 0.000 2.378 357 D HA 0.106 4.745 4.640 -0.001 0.000 0.227 357 D C 0.184 176.402 176.300 -0.137 0.000 1.012 357 D CA 0.637 54.574 54.000 -0.105 0.000 0.905 357 D CB 0.071 40.825 40.800 -0.077 0.000 0.895 357 D HN 0.564 nan 8.370 nan 0.000 0.532 358 I N 0.809 121.236 120.570 -0.237 0.000 2.464 358 I HA 0.261 4.431 4.170 -0.001 0.000 0.277 358 I C -2.439 173.556 176.117 -0.202 0.000 1.040 358 I CA -2.718 58.433 61.300 -0.249 0.000 1.153 358 I CB 1.299 39.079 38.000 -0.366 0.000 1.274 358 I HN -0.299 nan 8.210 nan 0.000 0.469 359 P HA 0.018 nan 4.420 nan 0.000 0.268 359 P C -2.401 174.898 177.300 -0.002 0.000 1.189 359 P CA -0.394 62.686 63.100 -0.033 0.000 0.771 359 P CB -0.188 31.510 31.700 -0.003 0.000 0.822 370 G N 0.526 109.365 108.800 0.064 0.000 3.331 370 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.259 370 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.259 370 G C 0.548 175.483 174.900 0.057 0.000 1.004 370 G CA 1.657 46.789 45.100 0.053 0.000 0.753 370 G HN 1.652 nan 8.290 nan 0.000 1.125 371 L N 0.099 121.366 121.223 0.074 0.000 4.565 371 L HA -0.149 4.190 4.340 -0.001 0.000 0.564 371 L C 2.055 178.956 176.870 0.053 0.000 0.938 371 L CA 1.574 56.459 54.840 0.075 0.000 0.497 371 L CB -1.867 40.254 42.059 0.102 0.000 0.561 371 L HN 0.743 nan 8.230 nan 0.000 1.123 372 K N 3.492 123.920 120.400 0.047 0.000 2.243 372 K HA 0.206 4.525 4.320 -0.001 0.000 0.201 372 K C 0.900 177.521 176.600 0.035 0.000 1.051 372 K CA 1.196 57.503 56.287 0.034 0.000 0.970 372 K CB 0.179 32.697 32.500 0.030 0.000 0.755 372 K HN 0.620 nan 8.250 nan 0.000 0.465 373 M N 0.580 120.207 119.600 0.046 0.000 2.326 373 M HA 0.378 4.858 4.480 -0.001 0.000 0.306 373 M C -1.035 175.282 176.300 0.029 0.000 1.054 373 M CA -0.577 54.752 55.300 0.049 0.000 0.922 373 M CB 2.699 35.338 32.600 0.064 0.000 1.632 373 M HN 0.186 nan 8.290 nan 0.000 0.436 374 S N 2.597 118.292 115.700 -0.009 0.000 2.605 374 S HA 0.887 5.356 4.470 -0.001 0.000 0.279 374 S C -1.521 172.918 174.600 -0.268 0.000 1.166 374 S CA -0.595 57.531 58.200 -0.124 0.000 0.975 374 S CB 1.070 64.227 63.200 -0.073 0.000 1.111 374 S HN 0.895 nan 8.310 nan 0.000 0.465 375 A N 2.364 124.906 122.820 -0.463 0.000 2.312 375 A HA 1.037 5.356 4.320 -0.001 0.000 0.310 375 A C 0.270 177.387 177.584 -0.778 0.000 1.139 375 A CA -0.366 51.269 52.037 -0.669 0.000 0.886 375 A CB 1.469 19.819 19.000 -1.084 0.000 1.350 375 A HN 1.999 nan 8.150 nan 0.000 0.479 376 T N -1.829 112.362 114.554 -0.605 0.000 2.749 376 T HA 0.561 4.910 4.350 -0.001 0.000 0.310 376 T C -1.816 172.767 174.700 -0.196 0.000 1.496 376 T CA -0.361 61.498 62.100 -0.402 0.000 1.006 376 T CB 0.827 69.510 68.868 -0.309 0.000 1.457 376 T HN 1.558 nan 8.240 nan 0.000 0.497 377 F N 2.168 121.970 119.950 -0.246 0.000 2.561 377 F HA 0.808 5.334 4.527 -0.001 0.000 0.313 377 F C -1.837 173.914 175.800 -0.081 0.000 1.126 377 F CA -0.987 56.868 58.000 -0.241 0.000 0.918 377 F CB 1.371 40.151 39.000 -0.366 0.000 1.199 377 F HN 0.669 nan 8.300 nan 0.000 0.444 378 I N 4.768 125.011 120.570 -0.544 0.000 2.406 378 I HA 0.570 4.739 4.170 -0.001 0.000 0.290 378 I C -0.332 175.374 176.117 -0.685 0.000 0.999 378 I CA -0.772 60.343 61.300 -0.308 0.000 1.124 378 I CB 1.940 39.854 38.000 -0.143 0.000 1.289 378 I HN 0.839 nan 8.210 nan 0.000 0.441 379 G N 5.152 113.832 108.800 -0.200 0.000 3.003 379 G HA2 0.191 4.151 3.960 -0.001 0.000 0.293 379 G HA3 0.191 4.151 3.960 -0.001 0.000 0.293 379 G C -0.903 174.173 174.900 0.293 0.000 1.553 379 G CA -0.508 44.539 45.100 -0.088 0.000 1.078 379 G HN 0.679 nan 8.290 nan 0.000 0.550 380 N N 1.845 120.651 118.700 0.177 0.000 2.415 380 N HA 0.320 5.060 4.740 -0.001 0.000 0.250 380 N C 0.072 175.856 175.510 0.457 0.000 1.127 380 N CA -0.125 53.165 53.050 0.401 0.000 0.945 380 N CB 0.447 39.105 38.487 0.285 0.000 1.196 380 N HN 0.465 nan 8.380 nan 0.000 0.499 381 S N 1.241 117.298 115.700 0.596 0.000 2.532 381 S HA 0.088 4.558 4.470 -0.001 0.000 0.299 381 S C 1.144 176.076 174.600 0.554 0.000 1.105 381 S CA -0.767 57.796 58.200 0.605 0.000 1.018 381 S CB 1.610 65.208 63.200 0.664 0.000 1.021 381 S HN 0.499 nan 8.310 nan 0.000 0.483 382 T N 1.195 116.066 114.554 0.528 0.000 2.918 382 T HA -0.156 4.193 4.350 -0.001 0.000 0.271 382 T C 1.917 176.804 174.700 0.313 0.000 1.104 382 T CA 1.577 64.061 62.100 0.641 0.000 1.114 382 T CB -0.839 68.353 68.868 0.540 0.000 0.855 382 T HN 1.003 nan 8.240 nan 0.000 0.518 383 A N 1.642 124.595 122.820 0.223 0.000 1.986 383 A HA -0.015 4.305 4.320 -0.001 0.000 0.220 383 A C 2.347 179.959 177.584 0.047 0.000 1.171 383 A CA 1.482 53.587 52.037 0.113 0.000 0.640 383 A CB -0.878 18.174 19.000 0.086 0.000 0.811 383 A HN 0.551 nan 8.150 nan 0.000 0.451 384 I N 0.500 121.094 120.570 0.040 0.000 2.423 384 I HA -0.260 3.910 4.170 -0.001 0.000 0.254 384 I C 2.553 178.561 176.117 -0.181 0.000 1.151 384 I CA 1.927 63.191 61.300 -0.060 0.000 1.421 384 I CB -0.970 37.068 38.000 0.064 0.000 1.079 384 I HN 0.652 nan 8.210 nan 0.000 0.431 385 Q N 0.890 120.529 119.800 -0.269 0.000 2.096 385 Q HA -0.312 4.027 4.340 -0.001 0.000 0.208 385 Q C 1.950 177.941 176.000 -0.015 0.000 0.993 385 Q CA 2.420 58.153 55.803 -0.116 0.000 0.862 385 Q CB -0.319 28.367 28.738 -0.087 0.000 0.915 385 Q HN 0.554 nan 8.270 nan 0.000 0.416 386 E N 0.315 120.490 120.200 -0.041 0.000 2.172 386 E HA -0.256 4.093 4.350 -0.001 0.000 0.213 386 E C 2.123 178.672 176.600 -0.086 0.000 1.051 386 E CA 2.112 58.480 56.400 -0.052 0.000 0.860 386 E CB -0.385 29.276 29.700 -0.066 0.000 0.755 386 E HN 0.529 nan 8.360 nan 0.000 0.462 387 L N -0.687 120.434 121.223 -0.171 0.000 2.056 387 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 387 L C 2.045 178.737 176.870 -0.296 0.000 1.078 387 L CA 1.198 55.873 54.840 -0.276 0.000 0.749 387 L CB -0.202 41.605 42.059 -0.420 0.000 0.901 387 L HN 0.156 nan 8.230 nan 0.000 0.433 388 F N 0.429 120.292 119.950 -0.144 0.000 2.113 388 F HA -0.191 4.335 4.527 -0.001 0.000 0.297 388 F C 2.642 178.387 175.800 -0.091 0.000 1.103 388 F CA 1.457 59.370 58.000 -0.144 0.000 1.248 388 F CB -0.333 38.564 39.000 -0.172 0.000 0.999 388 F HN -0.074 nan 8.300 nan 0.000 0.475 389 K N 0.582 121.054 120.400 0.119 0.000 2.160 389 K HA -0.263 4.056 4.320 -0.001 0.000 0.206 389 K C 2.237 178.863 176.600 0.043 0.000 1.047 389 K CA 1.794 58.121 56.287 0.068 0.000 0.930 389 K CB -0.154 32.374 32.500 0.046 0.000 0.720 389 K HN 0.331 nan 8.250 nan 0.000 0.450 390 R N 0.957 121.463 120.500 0.011 0.000 2.062 390 R HA -0.120 4.220 4.340 -0.001 0.000 0.229 390 R C 2.386 178.702 176.300 0.027 0.000 1.128 390 R CA 1.649 57.750 56.100 0.001 0.000 0.960 390 R CB -0.843 29.435 30.300 -0.036 0.000 0.855 390 R HN 0.223 nan 8.270 nan 0.000 0.432 391 I N -0.237 120.342 120.570 0.016 0.000 2.179 391 I HA -0.158 4.011 4.170 -0.001 0.000 0.242 391 I C 2.395 178.579 176.117 0.111 0.000 1.088 391 I CA 1.835 63.161 61.300 0.044 0.000 1.357 391 I CB -0.851 37.149 38.000 -0.000 0.000 1.051 391 I HN 0.188 nan 8.210 nan 0.000 0.409 392 S N 0.499 116.251 115.700 0.087 0.000 2.359 392 S HA -0.357 4.112 4.470 -0.001 0.000 0.223 392 S C 2.108 176.824 174.600 0.193 0.000 1.039 392 S CA 2.044 60.324 58.200 0.134 0.000 1.042 392 S CB -0.583 62.664 63.200 0.079 0.000 0.915 392 S HN 0.758 nan 8.310 nan 0.000 0.439 393 E N 0.265 120.538 120.200 0.122 0.000 2.086 393 E HA -0.287 4.062 4.350 -0.001 0.000 0.200 393 E C 2.044 178.716 176.600 0.119 0.000 1.012 393 E CA 1.965 58.426 56.400 0.101 0.000 0.812 393 E CB -0.235 29.499 29.700 0.057 0.000 0.743 393 E HN 0.638 nan 8.360 nan 0.000 0.453 394 Q N -0.627 119.253 119.800 0.135 0.000 2.049 394 Q HA -0.081 4.259 4.340 -0.001 0.000 0.198 394 Q C 1.948 178.076 176.000 0.213 0.000 0.971 394 Q CA 1.542 57.428 55.803 0.138 0.000 0.833 394 Q CB -0.337 28.475 28.738 0.124 0.000 0.896 394 Q HN 0.348 nan 8.270 nan 0.000 0.434 395 F N 1.390 121.426 119.950 0.144 0.000 2.026 395 F HA -0.288 4.238 4.527 -0.001 0.000 0.296 395 F C 2.199 178.138 175.800 0.230 0.000 1.133 395 F CA 1.973 60.109 58.000 0.227 0.000 1.188 395 F CB -0.647 38.436 39.000 0.138 0.000 0.968 395 F HN -0.038 nan 8.300 nan 0.000 0.476 396 T N 0.402 115.176 114.554 0.367 0.000 2.751 396 T HA -0.292 4.058 4.350 -0.001 0.000 0.268 396 T C 1.893 176.637 174.700 0.074 0.000 1.045 396 T CA 1.531 63.770 62.100 0.232 0.000 1.142 396 T CB -0.753 68.238 68.868 0.205 0.000 0.851 396 T HN 0.444 nan 8.240 nan 0.000 0.474 397 A N -0.385 122.472 122.820 0.062 0.000 2.030 397 A HA 0.308 4.627 4.320 -0.001 0.000 0.215 397 A C 2.196 179.772 177.584 -0.013 0.000 1.164 397 A CA 0.524 52.570 52.037 0.014 0.000 0.697 397 A CB -0.279 18.735 19.000 0.023 0.000 0.827 397 A HN 0.411 nan 8.150 nan 0.000 0.457 398 M N -1.980 117.627 119.600 0.012 0.000 2.142 398 M HA 0.092 4.571 4.480 -0.001 0.000 0.256 398 M C 1.969 178.297 176.300 0.047 0.000 1.098 398 M CA 1.324 56.648 55.300 0.039 0.000 1.151 398 M CB -0.329 32.360 32.600 0.148 0.000 1.299 398 M HN 0.488 nan 8.290 nan 0.000 0.431 399 F N 1.565 121.394 119.950 -0.202 0.000 2.411 399 F HA -0.217 4.309 4.527 -0.001 0.000 0.299 399 F C 1.991 177.696 175.800 -0.159 0.000 1.077 399 F CA 1.219 59.045 58.000 -0.289 0.000 1.439 399 F CB -0.532 38.021 39.000 -0.746 0.000 1.085 399 F HN 0.055 nan 8.300 nan 0.000 0.564 400 R N 0.929 121.238 120.500 -0.319 0.000 2.369 400 R HA -0.199 4.140 4.340 -0.001 0.000 0.208 400 R C 1.575 177.674 176.300 -0.334 0.000 1.030 400 R CA 1.711 57.619 56.100 -0.320 0.000 0.812 400 R CB -0.620 29.588 30.300 -0.153 0.000 0.765 400 R HN 0.076 nan 8.270 nan 0.000 0.441 401 R N 2.128 122.508 120.500 -0.199 0.000 4.902 401 R HA -0.029 4.310 4.340 -0.001 0.000 0.201 401 R C -0.596 175.620 176.300 -0.141 0.000 2.020 401 R CA 0.289 56.292 56.100 -0.162 0.000 1.674 401 R CB -0.651 29.579 30.300 -0.116 0.000 1.349 401 R HN 0.385 nan 8.270 nan 0.000 0.813 402 K N -0.520 119.761 120.400 -0.198 0.000 4.383 402 K HA -0.284 4.035 4.320 -0.001 0.000 0.270 402 K C 0.732 177.364 176.600 0.053 0.000 0.733 402 K CA 0.670 56.921 56.287 -0.061 0.000 0.636 402 K CB -1.272 31.200 32.500 -0.048 0.000 1.999 402 K HN 0.353 nan 8.250 nan 0.000 0.403 403 A N 1.826 124.687 122.820 0.068 0.000 3.221 403 A HA 0.031 4.350 4.320 -0.001 0.000 0.175 403 A C 1.165 178.836 177.584 0.146 0.000 0.976 403 A CA 0.949 52.973 52.037 -0.023 0.000 1.205 403 A CB -0.636 18.266 19.000 -0.163 0.000 1.172 403 A HN 0.565 nan 8.150 nan 0.000 0.597 404 F N -0.239 119.836 119.950 0.208 0.000 2.457 404 F HA -0.212 4.314 4.527 -0.001 0.000 0.294 404 F C 1.989 178.162 175.800 0.621 0.000 1.078 404 F CA 0.773 58.945 58.000 0.286 0.000 1.484 404 F CB -0.573 38.427 39.000 0.001 0.000 1.115 404 F HN 0.464 nan 8.300 nan 0.000 0.603 405 L N 1.016 122.738 121.223 0.832 0.000 2.021 405 L HA -0.317 4.023 4.340 -0.001 0.000 0.215 405 L C 2.839 180.085 176.870 0.627 0.000 1.074 405 L CA 2.118 57.404 54.840 0.744 0.000 0.760 405 L CB -0.953 41.293 42.059 0.311 0.000 0.889 405 L HN 0.334 nan 8.230 nan 0.000 0.433 406 H N -2.253 117.012 119.070 0.325 0.000 2.553 406 H HA -0.251 4.305 4.556 -0.001 0.000 0.292 406 H C 1.243 176.626 175.328 0.092 0.000 1.069 406 H CA 1.286 57.430 56.048 0.160 0.000 1.203 406 H CB -1.322 28.493 29.762 0.089 0.000 1.346 406 H HN 0.660 nan 8.280 nan 0.000 0.608 407 W N -0.475 120.936 121.300 0.184 0.000 3.077 407 W HA 0.146 4.805 4.660 -0.002 0.000 0.266 407 W C 1.042 177.450 176.519 -0.185 0.000 1.300 407 W CA 0.083 57.369 57.345 -0.098 0.000 1.586 407 W CB 0.235 29.647 29.460 -0.079 0.000 1.103 407 W HN 0.154 nan 8.180 nan 0.000 0.652 408 Y N -2.547 117.941 120.300 0.314 0.000 2.607 408 Y HA 0.039 4.588 4.550 -0.001 0.000 0.276 408 Y C 2.395 178.337 175.900 0.070 0.000 1.117 408 Y CA 0.917 59.161 58.100 0.240 0.000 1.273 408 Y CB -0.895 37.784 38.460 0.366 0.000 1.282 408 Y HN -0.391 nan 8.280 nan 0.000 0.514 409 T N 0.142 114.802 114.554 0.177 0.000 2.684 409 T HA -0.295 4.055 4.350 -0.001 0.000 0.267 409 T C 2.166 176.865 174.700 -0.000 0.000 1.032 409 T CA 1.993 64.120 62.100 0.045 0.000 1.155 409 T CB -0.881 68.007 68.868 0.034 0.000 0.857 409 T HN 0.663 nan 8.240 nan 0.000 0.457 410 G N 0.780 109.545 108.800 -0.058 0.000 2.402 410 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.216 410 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.216 410 G C 1.443 176.305 174.900 -0.062 0.000 1.162 410 G CA 0.400 45.425 45.100 -0.125 0.000 0.777 410 G HN 0.402 nan 8.290 nan 0.000 0.539 411 E N 0.468 120.668 120.200 0.000 0.000 2.478 411 E HA 0.098 4.447 4.350 -0.001 0.000 0.198 411 E C 1.463 178.073 176.600 0.017 0.000 1.046 411 E CA 0.674 57.098 56.400 0.039 0.000 0.870 411 E CB -0.019 29.755 29.700 0.123 0.000 0.818 411 E HN 0.480 nan 8.360 nan 0.000 0.527 412 G N 1.176 109.973 108.800 -0.005 0.000 2.337 412 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.134 412 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.134 412 G C -0.067 174.779 174.900 -0.090 0.000 1.052 412 G CA 0.019 45.095 45.100 -0.040 0.000 0.737 412 G HN 0.073 nan 8.290 nan 0.000 0.485 413 M N -0.236 119.335 119.600 -0.049 0.000 2.811 413 M HA 0.572 5.052 4.480 -0.001 0.000 0.303 413 M C -0.607 175.684 176.300 -0.016 0.000 1.227 413 M CA -0.846 54.419 55.300 -0.059 0.000 0.874 413 M CB 1.316 33.938 32.600 0.036 0.000 1.681 413 M HN 0.092 nan 8.290 nan 0.000 0.500 414 D N 0.423 120.828 120.400 0.008 0.000 2.185 414 D HA 0.141 4.780 4.640 -0.001 0.000 0.247 414 D C 0.199 176.487 176.300 -0.020 0.000 1.027 414 D CA -0.025 53.980 54.000 0.008 0.000 0.861 414 D CB 1.906 42.727 40.800 0.036 0.000 1.202 414 D HN 0.635 nan 8.370 nan 0.000 0.453 415 E N 2.063 122.244 120.200 -0.031 0.000 2.021 415 E HA -0.286 4.063 4.350 -0.001 0.000 0.200 415 E C 2.037 178.666 176.600 0.048 0.000 1.015 415 E CA 2.343 58.729 56.400 -0.023 0.000 0.824 415 E CB -0.065 29.666 29.700 0.053 0.000 0.762 415 E HN 0.601 nan 8.360 nan 0.000 0.454 416 M N 0.163 119.810 119.600 0.078 0.000 2.252 416 M HA -0.216 4.263 4.480 -0.001 0.000 0.257 416 M C 1.936 178.281 176.300 0.075 0.000 1.077 416 M CA 2.251 57.604 55.300 0.088 0.000 1.066 416 M CB -0.399 32.242 32.600 0.068 0.000 1.380 416 M HN 0.131 nan 8.290 nan 0.000 0.412 417 E N -0.168 120.084 120.200 0.087 0.000 2.204 417 E HA -0.120 4.229 4.350 -0.001 0.000 0.194 417 E C 1.467 178.119 176.600 0.087 0.000 0.989 417 E CA 1.008 57.472 56.400 0.105 0.000 0.824 417 E CB -0.031 29.757 29.700 0.146 0.000 0.756 417 E HN 0.599 nan 8.360 nan 0.000 0.477 418 F N 0.911 120.684 119.950 -0.294 0.000 2.098 418 F HA -0.133 4.393 4.527 -0.001 0.000 0.294 418 F C 2.620 178.184 175.800 -0.393 0.000 1.107 418 F CA 1.653 59.355 58.000 -0.497 0.000 1.234 418 F CB -1.043 37.362 39.000 -0.992 0.000 1.002 418 F HN 0.037 nan 8.300 nan 0.000 0.472 419 T N -0.764 113.757 114.554 -0.055 0.000 2.699 419 T HA -0.301 4.049 4.350 -0.001 0.000 0.268 419 T C 1.799 176.487 174.700 -0.021 0.000 1.036 419 T CA 1.666 63.820 62.100 0.090 0.000 1.147 419 T CB -0.592 68.407 68.868 0.217 0.000 0.862 419 T HN 0.395 nan 8.240 nan 0.000 0.446 420 E N 1.263 121.436 120.200 -0.046 0.000 2.268 420 E HA -0.037 4.312 4.350 -0.001 0.000 0.195 420 E C 2.155 178.589 176.600 -0.275 0.000 0.995 420 E CA 0.818 57.160 56.400 -0.097 0.000 0.836 420 E CB -0.164 29.522 29.700 -0.023 0.000 0.763 420 E HN 0.583 nan 8.360 nan 0.000 0.491 421 A N 0.842 123.466 122.820 -0.327 0.000 1.956 421 A HA -0.047 4.272 4.320 -0.001 0.000 0.212 421 A C 1.996 179.283 177.584 -0.495 0.000 1.188 421 A CA 0.710 52.418 52.037 -0.548 0.000 0.675 421 A CB -0.230 18.521 19.000 -0.416 0.000 0.845 421 A HN 0.330 nan 8.150 nan 0.000 0.455 422 E N 0.525 120.499 120.200 -0.376 0.000 2.038 422 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 422 E C 1.284 177.778 176.600 -0.177 0.000 1.000 422 E CA 1.550 57.787 56.400 -0.271 0.000 0.803 422 E CB -0.065 29.655 29.700 0.032 0.000 0.750 422 E HN 0.505 nan 8.360 nan 0.000 0.448 423 S N 1.038 116.662 115.700 -0.128 0.000 2.701 423 S HA 0.025 4.494 4.470 -0.001 0.000 0.220 423 S C 1.090 175.596 174.600 -0.156 0.000 0.954 423 S CA -0.204 57.937 58.200 -0.097 0.000 0.936 423 S CB -0.080 63.095 63.200 -0.042 0.000 0.777 423 S HN 0.273 nan 8.310 nan 0.000 0.518 424 N N 1.673 120.211 118.700 -0.269 0.000 2.245 424 N HA 0.060 4.799 4.740 -0.001 0.000 0.185 424 N C 1.775 177.153 175.510 -0.220 0.000 1.036 424 N CA 0.633 53.510 53.050 -0.289 0.000 0.857 424 N CB -0.149 38.012 38.487 -0.543 0.000 1.015 424 N HN 0.213 nan 8.380 nan 0.000 0.436 425 M N 1.648 121.093 119.600 -0.258 0.000 2.471 425 M HA -0.246 4.233 4.480 -0.001 0.000 0.260 425 M C 1.377 177.588 176.300 -0.148 0.000 1.065 425 M CA 1.856 57.019 55.300 -0.229 0.000 1.075 425 M CB -1.628 30.829 32.600 -0.238 0.000 1.258 425 M HN 0.113 nan 8.290 nan 0.000 0.457 426 N N 0.571 119.209 118.700 -0.103 0.000 2.588 426 N HA -0.130 4.609 4.740 -0.001 0.000 0.190 426 N C 0.991 176.484 175.510 -0.029 0.000 1.094 426 N CA 0.875 53.900 53.050 -0.041 0.000 0.921 426 N CB -0.237 38.243 38.487 -0.013 0.000 0.959 426 N HN 0.353 nan 8.380 nan 0.000 0.448 427 D N -0.380 119.988 120.400 -0.054 0.000 2.214 427 D HA -0.012 4.627 4.640 -0.001 0.000 0.217 427 D C 1.916 178.210 176.300 -0.009 0.000 0.973 427 D CA 0.170 54.151 54.000 -0.030 0.000 0.880 427 D CB -0.467 40.304 40.800 -0.048 0.000 1.031 427 D HN 0.042 nan 8.370 nan 0.000 0.468 428 L N 1.315 122.509 121.223 -0.049 0.000 2.011 428 L HA -0.270 4.070 4.340 -0.001 0.000 0.225 428 L C 2.370 179.319 176.870 0.132 0.000 1.084 428 L CA 1.641 56.467 54.840 -0.023 0.000 0.791 428 L CB -0.750 41.200 42.059 -0.181 0.000 0.898 428 L HN -0.087 nan 8.230 nan 0.000 0.440 429 V N -1.311 118.642 119.914 0.065 0.000 2.226 429 V HA -0.415 3.704 4.120 -0.001 0.000 0.254 429 V C 2.360 178.561 176.094 0.178 0.000 1.065 429 V CA 2.330 64.708 62.300 0.130 0.000 1.039 429 V CB -1.205 30.660 31.823 0.069 0.000 0.653 429 V HN 0.545 nan 8.190 nan 0.000 0.450 430 S N -1.223 114.542 115.700 0.109 0.000 2.727 430 S HA -0.049 4.420 4.470 -0.001 0.000 0.226 430 S C 1.519 176.183 174.600 0.107 0.000 0.963 430 S CA 0.701 58.958 58.200 0.095 0.000 0.950 430 S CB -0.378 62.852 63.200 0.049 0.000 0.779 430 S HN 0.735 nan 8.310 nan 0.000 0.532 431 E N -1.255 119.043 120.200 0.164 0.000 2.306 431 E HA 0.088 4.438 4.350 -0.001 0.000 0.201 431 E C 1.076 177.869 176.600 0.321 0.000 0.874 431 E CA 0.103 56.614 56.400 0.185 0.000 0.972 431 E CB -0.177 29.596 29.700 0.121 0.000 0.957 431 E HN 0.456 nan 8.360 nan 0.000 0.492 432 Y N 1.853 122.304 120.300 0.253 0.000 2.128 432 Y HA -0.296 4.253 4.550 -0.001 0.000 0.284 432 Y C 2.685 178.749 175.900 0.273 0.000 1.154 432 Y CA 1.933 60.218 58.100 0.308 0.000 1.149 432 Y CB 0.027 38.644 38.460 0.262 0.000 0.976 432 Y HN 0.052 nan 8.280 nan 0.000 0.505 433 Q N 0.343 120.362 119.800 0.365 0.000 2.226 433 Q HA -0.228 4.112 4.340 -0.001 0.000 0.204 433 Q C 2.053 178.155 176.000 0.171 0.000 0.975 433 Q CA 1.660 57.602 55.803 0.233 0.000 0.866 433 Q CB -0.255 28.581 28.738 0.163 0.000 0.915 433 Q HN 0.505 nan 8.270 nan 0.000 0.440 434 Q N -1.431 118.457 119.800 0.146 0.000 2.245 434 Q HA -0.095 4.244 4.340 -0.001 0.000 0.201 434 Q C 0.433 176.384 176.000 -0.081 0.000 0.955 434 Q CA 0.712 56.511 55.803 -0.007 0.000 0.870 434 Q CB 0.199 28.886 28.738 -0.084 0.000 0.945 434 Q HN 0.541 nan 8.270 nan 0.000 0.461 435 Y N 0.490 120.854 120.300 0.106 0.000 2.493 435 Y HA 0.138 4.687 4.550 -0.001 0.000 0.275 435 Y C 0.283 176.358 175.900 0.292 0.000 1.183 435 Y CA 0.094 58.295 58.100 0.169 0.000 1.258 435 Y CB 0.683 39.257 38.460 0.190 0.000 1.108 435 Y HN 0.047 nan 8.280 nan 0.000 0.521 436 Q N 1.190 121.170 119.800 0.300 0.000 3.247 436 Q HA 0.216 4.555 4.340 -0.001 0.000 0.326 436 Q C 0.058 176.172 176.000 0.190 0.000 1.402 436 Q CA 0.146 56.111 55.803 0.271 0.000 0.994 436 Q CB -0.268 28.602 28.738 0.220 0.000 1.647 436 Q HN 0.602 nan 8.270 nan 0.000 0.523 437 D N 0.000 120.523 120.400 0.205 0.000 6.856 437 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 437 D CA 0.000 54.045 54.000 0.074 0.000 0.868 437 D CB 0.000 40.730 40.800 -0.118 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683