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 1a5t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRWYPWLRPD FEKLVASYQA GRGHHALLIQ ALPGMGDDAL IYALSRYLLC DATA SEQUENCE QQPQGHKSCG HCRGCQLMQA GTHPDYYTLA PEKGKNTLGV DAVREVTEKL DATA SEQUENCE NEHARLGGAK VVWVTDAALL TDAAANALLK TLEEPPAETW FFLATREPER DATA SEQUENCE LLATLRSRCR LHYLAPPPEQ YAVTWLSREV TMSQDALLAA LRLSAGSPGA DATA SEQUENCE ALALFQGDNW QARETLCQAL AYSVPSGDWY SLLAALNHEQ APARLHWLAT DATA SEQUENCE LLMDALKRXX XXXXVTNVDV PGLVAELANH LSPSRLQAIL GDVCHIREQL DATA SEQUENCE MSVTGINREL LITDLLLRIE HYLQPGVVLP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.265 176.300 -0.058 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 R N 5.436 125.830 120.500 -0.177 0.000 2.566 2 R HA 0.216 nan 4.340 nan 0.000 0.271 2 R C -2.262 173.778 176.300 -0.433 0.000 1.071 2 R CA -0.400 55.493 56.100 -0.344 0.000 0.915 2 R CB 2.572 32.528 30.300 -0.573 0.000 1.228 2 R HN 0.419 8.596 8.270 -0.154 0.000 0.449 3 W N 7.420 128.468 121.300 -0.419 0.000 2.318 3 W HA 0.092 nan 4.660 nan 0.000 0.362 3 W C -1.670 174.610 176.519 -0.398 0.000 0.978 3 W CA -1.061 56.067 57.345 -0.360 0.000 1.509 3 W CB 0.152 29.463 29.460 -0.248 0.000 1.437 3 W HN 0.426 8.603 8.180 -0.006 0.000 0.361 4 Y N 6.618 126.429 120.300 -0.814 0.000 2.497 4 Y HA -0.062 nan 4.550 nan 0.000 0.334 4 Y C -0.302 174.888 175.900 -1.184 0.000 1.199 4 Y CA -2.046 55.337 58.100 -1.194 0.000 1.425 4 Y CB -0.823 36.305 38.460 -2.221 0.000 1.291 4 Y HN -0.451 7.312 8.280 -0.861 0.000 0.562 5 P HA -0.133 nan 4.420 nan 0.000 0.226 5 P C 0.330 177.559 177.300 -0.118 0.000 1.153 5 P CA 1.987 64.986 63.100 -0.169 0.000 0.777 5 P CB -0.155 31.652 31.700 0.178 0.000 0.794 6 W N -3.642 117.595 121.300 -0.106 0.000 3.180 6 W HA 0.096 nan 4.660 nan 0.000 0.254 6 W C -0.148 176.222 176.519 -0.248 0.000 1.318 6 W CA -0.103 57.112 57.345 -0.217 0.000 1.608 6 W CB -1.442 27.842 29.460 -0.293 0.000 1.124 6 W HN -0.280 7.429 8.180 -0.720 0.039 0.694 7 L N -0.576 120.328 121.223 -0.531 0.000 2.240 7 L HA -0.268 nan 4.340 nan 0.000 0.211 7 L C 1.843 178.609 176.870 -0.174 0.000 1.106 7 L CA 1.733 56.285 54.840 -0.481 0.000 0.793 7 L CB -0.342 41.031 42.059 -1.144 0.000 0.927 7 L HN -0.664 6.981 8.230 -0.859 0.069 0.446 8 R N 0.008 120.467 120.500 -0.068 0.000 2.133 8 R HA -0.318 nan 4.340 nan 0.000 0.245 8 R C -1.182 175.221 176.300 0.173 0.000 1.137 8 R CA 5.444 61.660 56.100 0.194 0.000 0.947 8 R CB -2.488 27.931 30.300 0.199 0.000 0.865 8 R HN -0.525 7.640 8.270 -0.175 0.000 0.437 9 P HA -0.187 nan 4.420 nan 0.000 0.215 9 P C 1.666 178.998 177.300 0.052 0.000 1.157 9 P CA 3.254 66.386 63.100 0.054 0.000 0.874 9 P CB -0.509 31.206 31.700 0.025 0.000 0.790 10 D N -1.675 118.767 120.400 0.071 0.000 2.097 10 D HA -0.238 nan 4.640 nan 0.000 0.197 10 D C 2.159 178.448 176.300 -0.018 0.000 0.984 10 D CA 3.589 57.628 54.000 0.064 0.000 0.826 10 D CB -0.308 40.562 40.800 0.117 0.000 0.973 10 D HN -0.609 7.801 8.370 0.067 0.000 0.460 11 F N 1.000 120.935 119.950 -0.026 0.000 2.069 11 F HA -0.440 nan 4.527 nan 0.000 0.298 11 F C 1.177 176.922 175.800 -0.091 0.000 1.113 11 F CA 3.434 61.437 58.000 0.005 0.000 1.214 11 F CB 0.403 39.541 39.000 0.229 0.000 0.978 11 F HN 0.088 8.519 8.300 0.217 0.000 0.474 12 E N -2.356 117.689 120.200 -0.258 0.000 2.150 12 E HA -0.327 nan 4.350 nan 0.000 0.193 12 E C 2.986 179.331 176.600 -0.424 0.000 0.985 12 E CA 2.935 59.078 56.400 -0.428 0.000 0.814 12 E CB -0.812 28.841 29.700 -0.078 0.000 0.752 12 E HN 0.260 8.676 8.360 0.093 0.000 0.466 13 K N -0.444 119.804 120.400 -0.253 0.000 2.062 13 K HA -0.170 nan 4.320 nan 0.000 0.205 13 K C 2.839 179.293 176.600 -0.244 0.000 1.051 13 K CA 2.183 58.360 56.287 -0.183 0.000 0.941 13 K CB -0.074 32.390 32.500 -0.060 0.000 0.719 13 K HN -0.613 7.427 8.250 -0.172 0.107 0.440 14 L N -0.747 120.300 121.223 -0.294 0.000 2.044 14 L HA -0.228 nan 4.340 nan 0.000 0.205 14 L C 1.990 178.695 176.870 -0.274 0.000 1.075 14 L CA 3.125 57.814 54.840 -0.251 0.000 0.747 14 L CB 0.093 42.048 42.059 -0.173 0.000 0.903 14 L HN -0.124 7.920 8.230 -0.311 0.000 0.435 15 V N -0.900 118.668 119.914 -0.577 0.000 2.392 15 V HA -0.503 nan 4.120 nan 0.000 0.249 15 V C 1.369 177.091 176.094 -0.620 0.000 1.059 15 V CA 3.783 65.632 62.300 -0.752 0.000 1.051 15 V CB -0.575 30.333 31.823 -1.525 0.000 0.658 15 V HN 0.254 7.971 8.190 -0.787 0.000 0.455 16 A N -2.467 119.989 122.820 -0.608 0.000 1.933 16 A HA -0.325 nan 4.320 nan 0.000 0.218 16 A C 1.685 179.157 177.584 -0.186 0.000 1.175 16 A CA 3.663 55.505 52.037 -0.325 0.000 0.628 16 A CB -0.843 18.019 19.000 -0.231 0.000 0.814 16 A HN -0.197 7.547 8.150 -0.676 0.000 0.444 17 S N -0.681 114.883 115.700 -0.226 0.000 2.383 17 S HA -0.319 nan 4.470 nan 0.000 0.227 17 S C 2.108 176.570 174.600 -0.230 0.000 1.026 17 S CA 3.146 61.212 58.200 -0.224 0.000 0.981 17 S CB 0.029 63.055 63.200 -0.290 0.000 0.818 17 S HN -0.629 7.398 8.310 -0.276 0.117 0.472 18 Y N 1.293 121.483 120.300 -0.182 0.000 2.293 18 Y HA -0.324 nan 4.550 nan 0.000 0.291 18 Y C 3.128 178.974 175.900 -0.089 0.000 1.137 18 Y CA 3.483 61.457 58.100 -0.209 0.000 1.202 18 Y CB -0.430 37.868 38.460 -0.270 0.000 0.990 18 Y HN -0.393 7.787 8.280 -0.168 0.000 0.537 19 Q N 0.429 120.288 119.800 0.098 0.000 2.079 19 Q HA -0.258 nan 4.340 nan 0.000 0.200 19 Q C 1.085 177.135 176.000 0.084 0.000 0.974 19 Q CA 2.446 58.331 55.803 0.137 0.000 0.840 19 Q CB 0.286 29.087 28.738 0.105 0.000 0.898 19 Q HN -0.205 7.983 8.270 0.007 0.087 0.430 20 A N -3.608 119.231 122.820 0.031 0.000 2.302 20 A HA 0.152 nan 4.320 nan 0.000 0.219 20 A C -0.508 177.093 177.584 0.028 0.000 1.243 20 A CA -0.199 51.854 52.037 0.026 0.000 0.856 20 A CB -0.174 18.829 19.000 0.005 0.000 0.893 20 A HN -0.056 8.090 8.150 -0.005 0.000 0.491 21 G N -1.057 107.767 108.800 0.041 0.000 2.184 21 G HA2 -0.358 nan 3.960 nan 0.000 0.264 21 G HA3 -0.358 nan 3.960 nan 0.000 0.264 21 G C 0.685 175.609 174.900 0.040 0.000 0.975 21 G CA 0.720 45.859 45.100 0.067 0.000 0.642 21 G HN -0.595 7.523 8.290 0.043 0.198 0.536 22 R N -0.920 119.563 120.500 -0.027 0.000 2.391 22 R HA 0.137 nan 4.340 nan 0.000 0.249 22 R C -0.529 175.696 176.300 -0.125 0.000 0.957 22 R CA -1.798 54.273 56.100 -0.048 0.000 1.093 22 R CB -0.606 29.659 30.300 -0.058 0.000 1.156 22 R HN 0.239 8.428 8.270 -0.050 0.051 0.526 23 G N -1.456 107.233 108.800 -0.186 0.000 2.444 23 G HA2 -0.072 nan 3.960 nan 0.000 0.268 23 G HA3 -0.072 nan 3.960 nan 0.000 0.268 23 G C -1.472 173.445 174.900 0.028 0.000 1.203 23 G CA -1.027 43.813 45.100 -0.432 0.000 0.835 23 G HN -0.697 7.437 8.290 -0.097 0.097 0.543 24 H N 2.568 121.592 119.070 -0.076 0.000 2.473 24 H HA 0.130 nan 4.556 nan 0.000 0.327 24 H C 0.833 176.332 175.328 0.284 0.000 1.105 24 H CA -0.437 55.630 56.048 0.032 0.000 1.280 24 H CB 2.511 32.203 29.762 -0.116 0.000 1.450 24 H HN -0.036 8.150 8.280 -0.157 0.000 0.492 25 H N 2.664 121.884 119.070 0.250 0.000 2.521 25 H HA -0.147 nan 4.556 nan 0.000 0.286 25 H C -1.141 174.449 175.328 0.436 0.000 1.034 25 H CA 1.181 57.412 56.048 0.306 0.000 1.278 25 H CB 0.070 29.830 29.762 -0.002 0.000 1.386 25 H HN 0.586 8.538 8.280 -0.547 0.000 0.567 26 A N -0.560 122.417 122.820 0.261 0.000 2.409 26 A HA 0.430 nan 4.320 nan 0.000 0.300 26 A C -2.956 174.691 177.584 0.105 0.000 1.273 26 A CA -1.389 50.777 52.037 0.215 0.000 0.774 26 A CB 1.371 20.425 19.000 0.089 0.000 1.144 26 A HN -0.249 8.029 8.150 0.289 0.045 0.472 27 L N 5.408 126.670 121.223 0.065 0.000 2.272 27 L HA 0.834 nan 4.340 nan 0.000 0.289 27 L C -2.524 174.427 176.870 0.135 0.000 1.032 27 L CA -1.167 53.718 54.840 0.076 0.000 0.810 27 L CB 3.027 45.180 42.059 0.156 0.000 1.205 27 L HN 0.422 8.659 8.230 0.012 0.000 0.422 28 L N 8.398 129.683 121.223 0.103 0.000 2.276 28 L HA 0.696 nan 4.340 nan 0.000 0.286 28 L C -2.201 174.779 176.870 0.184 0.000 1.024 28 L CA -1.359 53.564 54.840 0.138 0.000 0.826 28 L CB 2.014 44.119 42.059 0.076 0.000 1.211 28 L HN 0.998 9.148 8.230 0.045 0.107 0.422 29 I N 7.212 127.921 120.570 0.232 0.000 2.331 29 I HA 0.257 nan 4.170 nan 0.000 0.292 29 I C -2.211 174.040 176.117 0.223 0.000 0.998 29 I CA -0.578 60.873 61.300 0.252 0.000 1.267 29 I CB 0.794 38.943 38.000 0.249 0.000 1.386 29 I HN 1.096 9.456 8.210 0.250 0.000 0.476 30 Q N 7.955 127.894 119.800 0.231 0.000 2.314 30 Q HA 0.653 nan 4.340 nan 0.000 0.259 30 Q C -2.293 173.841 176.000 0.223 0.000 0.951 30 Q CA -1.376 54.570 55.803 0.240 0.000 0.909 30 Q CB 2.532 31.443 28.738 0.288 0.000 1.236 30 Q HN 0.658 8.969 8.270 0.251 0.109 0.444 31 A N 5.468 128.395 122.820 0.179 0.000 2.594 31 A HA 0.407 nan 4.320 nan 0.000 0.296 31 A C -2.180 175.470 177.584 0.110 0.000 1.061 31 A CA -0.179 51.926 52.037 0.113 0.000 0.689 31 A CB 2.607 21.661 19.000 0.089 0.000 1.280 31 A HN 0.787 9.041 8.150 0.175 0.000 0.406 32 L N 0.457 121.725 121.223 0.074 0.000 2.464 32 L HA 0.257 nan 4.340 nan 0.000 0.264 32 L C -0.696 176.209 176.870 0.058 0.000 1.199 32 L CA -2.823 52.050 54.840 0.055 0.000 0.818 32 L CB -0.524 41.545 42.059 0.018 0.000 1.102 32 L HN 0.482 8.740 8.230 0.046 0.000 0.473 33 P HA 0.038 nan 4.420 nan 0.000 0.275 33 P C -0.089 177.255 177.300 0.073 0.000 1.228 33 P CA 0.056 63.204 63.100 0.081 0.000 0.786 33 P CB 0.389 32.132 31.700 0.071 0.000 0.927 34 G N 1.389 110.257 108.800 0.114 0.000 2.157 34 G HA2 -0.418 nan 3.960 nan 0.000 0.248 34 G HA3 -0.418 nan 3.960 nan 0.000 0.248 34 G C 0.465 175.372 174.900 0.011 0.000 0.979 34 G CA 0.972 46.137 45.100 0.109 0.000 0.650 34 G HN 0.611 8.991 8.290 0.150 0.000 0.529 35 M N 0.126 119.758 119.600 0.053 0.000 2.541 35 M HA 0.018 nan 4.480 nan 0.000 0.252 35 M C 0.365 176.805 176.300 0.234 0.000 1.125 35 M CA -1.029 54.317 55.300 0.077 0.000 1.091 35 M CB -0.119 32.494 32.600 0.022 0.000 1.420 35 M HN -0.876 7.398 8.290 0.084 0.067 0.486 36 G N -2.438 106.520 108.800 0.264 0.000 2.165 36 G HA2 -0.439 nan 3.960 nan 0.000 0.226 36 G HA3 -0.439 nan 3.960 nan 0.000 0.226 36 G C 0.218 175.212 174.900 0.156 0.000 1.035 36 G CA 0.317 45.599 45.100 0.302 0.000 0.744 36 G HN 0.178 8.579 8.290 0.252 0.040 0.501 37 D N -1.177 119.325 120.400 0.170 0.000 2.219 37 D HA -0.352 nan 4.640 nan 0.000 0.205 37 D C 0.658 177.033 176.300 0.126 0.000 0.970 37 D CA 2.952 57.038 54.000 0.142 0.000 0.851 37 D CB -0.537 40.374 40.800 0.185 0.000 0.943 37 D HN 0.214 8.699 8.370 0.192 0.000 0.488 38 D N 0.090 120.627 120.400 0.228 0.000 2.117 38 D HA -0.336 nan 4.640 nan 0.000 0.198 38 D C 1.395 177.750 176.300 0.091 0.000 0.982 38 D CA 2.755 56.927 54.000 0.286 0.000 0.828 38 D CB -1.623 39.471 40.800 0.489 0.000 0.967 38 D HN -0.013 8.495 8.370 0.261 0.019 0.464 39 A N -0.176 122.734 122.820 0.151 0.000 1.969 39 A HA -0.145 nan 4.320 nan 0.000 0.218 39 A C 2.032 179.801 177.584 0.308 0.000 1.169 39 A CA 2.416 54.590 52.037 0.228 0.000 0.635 39 A CB -0.675 18.458 19.000 0.223 0.000 0.810 39 A HN -0.157 8.093 8.150 0.166 0.000 0.445 40 L N -0.772 120.548 121.223 0.163 0.000 2.027 40 L HA -0.255 nan 4.340 nan 0.000 0.206 40 L C 1.852 178.716 176.870 -0.010 0.000 1.074 40 L CA 3.054 58.002 54.840 0.179 0.000 0.745 40 L CB -0.046 42.045 42.059 0.053 0.000 0.898 40 L HN -0.380 7.803 8.230 0.079 0.094 0.433 41 I N -1.662 118.765 120.570 -0.238 0.000 2.286 41 I HA -0.575 nan 4.170 nan 0.000 0.248 41 I C 1.593 177.324 176.117 -0.643 0.000 1.115 41 I CA 4.234 65.160 61.300 -0.623 0.000 1.392 41 I CB -0.262 37.172 38.000 -0.944 0.000 1.065 41 I HN -0.002 8.096 8.210 -0.187 0.000 0.418 42 Y N 0.815 120.782 120.300 -0.554 0.000 2.184 42 Y HA -0.472 nan 4.550 nan 0.000 0.290 42 Y C 1.119 176.832 175.900 -0.313 0.000 1.129 42 Y CA 3.325 61.192 58.100 -0.387 0.000 1.144 42 Y CB -0.393 37.945 38.460 -0.204 0.000 0.995 42 Y HN -0.167 7.880 8.280 -0.235 0.092 0.513 43 A N -0.951 121.693 122.820 -0.292 0.000 1.972 43 A HA -0.317 nan 4.320 nan 0.000 0.219 43 A C 2.197 179.648 177.584 -0.222 0.000 1.169 43 A CA 3.132 54.907 52.037 -0.437 0.000 0.635 43 A CB -0.996 17.593 19.000 -0.685 0.000 0.810 43 A HN 0.210 8.317 8.150 -0.071 0.000 0.446 44 L N -3.084 118.036 121.223 -0.171 0.000 2.131 44 L HA -0.342 nan 4.340 nan 0.000 0.206 44 L C 2.146 178.804 176.870 -0.352 0.000 1.087 44 L CA 2.806 57.539 54.840 -0.178 0.000 0.767 44 L CB -0.304 41.550 42.059 -0.340 0.000 0.917 44 L HN -0.203 7.791 8.230 -0.225 0.101 0.441 45 S N 0.556 115.937 115.700 -0.531 0.000 2.356 45 S HA -0.319 nan 4.470 nan 0.000 0.223 45 S C 2.067 176.413 174.600 -0.424 0.000 1.032 45 S CA 3.800 61.749 58.200 -0.418 0.000 1.005 45 S CB -0.464 62.532 63.200 -0.339 0.000 0.867 45 S HN 0.155 7.917 8.310 -0.602 0.187 0.449 46 R N 0.442 120.598 120.500 -0.573 0.000 2.091 46 R HA -0.280 nan 4.340 nan 0.000 0.238 46 R C 2.089 178.208 176.300 -0.301 0.000 1.136 46 R CA 2.187 57.971 56.100 -0.526 0.000 0.959 46 R CB -0.465 29.433 30.300 -0.670 0.000 0.856 46 R HN 0.203 8.059 8.270 -0.689 0.000 0.437 47 Y N -0.062 120.064 120.300 -0.290 0.000 2.145 47 Y HA -0.305 nan 4.550 nan 0.000 0.286 47 Y C 2.563 178.357 175.900 -0.177 0.000 1.145 47 Y CA 2.957 60.952 58.100 -0.175 0.000 1.148 47 Y CB -0.114 38.293 38.460 -0.088 0.000 0.981 47 Y HN -0.640 7.510 8.280 -0.100 0.070 0.507 48 L N -2.374 118.583 121.223 -0.442 0.000 2.201 48 L HA -0.317 nan 4.340 nan 0.000 0.212 48 L C 1.294 177.985 176.870 -0.298 0.000 1.105 48 L CA 2.725 57.294 54.840 -0.452 0.000 0.775 48 L CB -0.031 41.854 42.059 -0.290 0.000 0.913 48 L HN -0.427 7.669 8.230 -0.223 0.000 0.440 49 L N -5.954 115.100 121.223 -0.282 0.000 2.592 49 L HA 0.032 nan 4.340 nan 0.000 0.227 49 L C -0.346 176.408 176.870 -0.193 0.000 1.127 49 L CA -0.467 54.223 54.840 -0.250 0.000 0.884 49 L CB 0.137 41.955 42.059 -0.402 0.000 1.065 49 L HN -0.725 7.287 8.230 -0.310 0.032 0.457 50 C N 0.076 119.231 119.300 -0.241 0.000 2.482 50 C HA -0.074 nan 4.460 nan 0.000 0.378 50 C C 0.644 175.552 174.990 -0.137 0.000 1.284 50 C CA -0.009 58.905 59.018 -0.174 0.000 1.826 50 C CB -0.532 27.099 27.740 -0.182 0.000 2.473 50 C HN -0.345 7.499 8.230 -0.337 0.184 0.562 51 Q N 7.560 127.322 119.800 -0.063 0.000 2.472 51 Q HA -0.185 nan 4.340 nan 0.000 0.208 51 Q C -0.334 175.645 176.000 -0.036 0.000 0.958 51 Q CA 1.336 57.117 55.803 -0.037 0.000 0.932 51 Q CB 0.398 29.134 28.738 -0.002 0.000 1.007 51 Q HN 0.454 8.698 8.270 -0.042 0.000 0.508 52 Q N -2.097 117.678 119.800 -0.041 0.000 3.449 52 Q HA 0.320 nan 4.340 nan 0.000 0.272 52 Q C -2.540 173.450 176.000 -0.017 0.000 0.787 52 Q CA -3.401 52.390 55.803 -0.020 0.000 0.904 52 Q CB 0.294 29.032 28.738 -0.001 0.000 1.536 52 Q HN -0.668 7.502 8.270 -0.054 0.067 0.387 53 P HA -0.076 nan 4.420 nan 0.000 0.267 53 P C -0.592 176.740 177.300 0.054 0.000 1.200 53 P CA -0.057 63.054 63.100 0.018 0.000 0.772 53 P CB 0.477 32.192 31.700 0.025 0.000 0.855 54 Q N 3.256 123.094 119.800 0.062 0.000 2.506 54 Q HA 0.163 nan 4.340 nan 0.000 0.242 54 Q C 0.286 176.304 176.000 0.030 0.000 1.060 54 Q CA -0.974 54.849 55.803 0.034 0.000 0.826 54 Q CB 0.264 29.014 28.738 0.020 0.000 1.169 54 Q HN 0.013 8.326 8.270 0.072 0.000 0.521 55 G N 4.953 113.756 108.800 0.006 0.000 2.595 55 G HA2 -0.504 nan 3.960 nan 0.000 0.297 55 G HA3 -0.504 nan 3.960 nan 0.000 0.297 55 G C -0.436 174.449 174.900 -0.025 0.000 1.181 55 G CA 1.197 46.228 45.100 -0.114 0.000 0.963 55 G HN 0.309 8.608 8.290 0.016 0.000 0.541 56 H N 4.701 123.784 119.070 0.021 0.000 2.652 56 H HA 0.172 nan 4.556 nan 0.000 0.274 56 H C 0.023 175.426 175.328 0.125 0.000 1.021 56 H CA -1.143 54.864 56.048 -0.068 0.000 1.187 56 H CB 0.774 30.496 29.762 -0.066 0.000 1.505 56 H HN 0.130 8.378 8.280 -0.054 0.000 0.530 57 K N 0.267 120.785 120.400 0.198 0.000 2.095 57 K HA 0.208 nan 4.320 nan 0.000 0.252 57 K C -0.940 175.711 176.600 0.084 0.000 0.977 57 K CA -1.071 55.265 56.287 0.082 0.000 0.900 57 K CB 1.792 34.276 32.500 -0.026 0.000 1.060 57 K HN -0.444 7.838 8.250 0.133 0.048 0.449 58 S N -0.059 115.624 115.700 -0.029 0.000 2.580 58 S HA 0.114 nan 4.470 nan 0.000 0.274 58 S C 1.106 175.655 174.600 -0.085 0.000 1.329 58 S CA -0.173 57.978 58.200 -0.081 0.000 1.036 58 S CB 0.554 63.646 63.200 -0.179 0.000 0.919 58 S HN 0.117 8.366 8.310 -0.103 0.000 0.515 59 C N 2.185 121.446 119.300 -0.064 0.000 2.450 59 C HA 0.197 nan 4.460 nan 0.000 0.279 59 C C 1.138 176.024 174.990 -0.174 0.000 1.335 59 C CA -0.859 58.140 59.018 -0.032 0.000 1.749 59 C CB 0.397 28.173 27.740 0.060 0.000 1.963 59 C HN 0.392 8.586 8.230 -0.061 0.000 0.501 60 G N 1.743 110.406 108.800 -0.229 0.000 2.143 60 G HA2 -0.319 nan 3.960 nan 0.000 0.249 60 G HA3 -0.319 nan 3.960 nan 0.000 0.249 60 G C -0.591 173.998 174.900 -0.517 0.000 0.981 60 G CA 1.210 46.086 45.100 -0.372 0.000 0.665 60 G HN -0.185 8.012 8.290 -0.155 0.000 0.528 61 H N -0.845 118.201 119.070 -0.041 0.000 2.573 61 H HA 0.093 nan 4.556 nan 0.000 0.236 61 H C 1.091 176.401 175.328 -0.029 0.000 0.907 61 H CA 0.188 56.217 56.048 -0.032 0.000 1.058 61 H CB 1.552 31.297 29.762 -0.029 0.000 1.417 61 H HN -0.515 7.655 8.280 -0.095 0.053 0.425 62 C N 1.554 120.907 119.300 0.088 0.000 2.796 62 C HA -0.014 nan 4.460 nan 0.000 0.394 62 C C 1.557 176.557 174.990 0.018 0.000 1.276 62 C CA -0.709 58.333 59.018 0.039 0.000 2.038 62 C CB 1.550 29.300 27.740 0.017 0.000 2.709 62 C HN -0.106 8.173 8.230 0.081 0.000 0.709 63 R N 2.260 122.764 120.500 0.007 0.000 2.120 63 R HA -0.315 nan 4.340 nan 0.000 0.234 63 R C 1.813 178.104 176.300 -0.014 0.000 1.123 63 R CA 3.567 59.660 56.100 -0.011 0.000 0.975 63 R CB -0.318 29.966 30.300 -0.026 0.000 0.866 63 R HN 0.580 8.855 8.270 0.008 0.000 0.446 64 G N -2.398 106.416 108.800 0.024 0.000 2.421 64 G HA2 -0.292 nan 3.960 nan 0.000 0.216 64 G HA3 -0.292 nan 3.960 nan 0.000 0.216 64 G C 1.069 176.044 174.900 0.124 0.000 1.171 64 G CA 1.872 47.052 45.100 0.134 0.000 0.775 64 G HN 0.020 8.306 8.290 0.023 0.017 0.543 65 C N 2.532 121.841 119.300 0.014 0.000 2.440 65 C HA -0.282 nan 4.460 nan 0.000 0.278 65 C C 2.158 177.132 174.990 -0.027 0.000 1.295 65 C CA 3.178 62.171 59.018 -0.042 0.000 1.738 65 C CB -1.692 25.994 27.740 -0.089 0.000 1.987 65 C HN -0.564 7.667 8.230 0.002 0.000 0.492 66 Q N 0.302 120.092 119.800 -0.016 0.000 2.050 66 Q HA -0.388 nan 4.340 nan 0.000 0.202 66 Q C 2.611 178.608 176.000 -0.006 0.000 0.980 66 Q CA 3.478 59.271 55.803 -0.016 0.000 0.840 66 Q CB -0.143 28.587 28.738 -0.013 0.000 0.898 66 Q HN -0.289 7.898 8.270 -0.011 0.077 0.424 67 L N -1.397 119.822 121.223 -0.008 0.000 2.131 67 L HA -0.357 nan 4.340 nan 0.000 0.210 67 L C 2.258 179.165 176.870 0.062 0.000 1.092 67 L CA 2.882 57.718 54.840 -0.007 0.000 0.759 67 L CB -0.477 41.510 42.059 -0.121 0.000 0.903 67 L HN 0.398 8.618 8.230 -0.016 0.000 0.435 68 M N -1.276 118.373 119.600 0.082 0.000 2.099 68 M HA -0.307 nan 4.480 nan 0.000 0.262 68 M C 2.294 178.624 176.300 0.050 0.000 1.067 68 M CA 2.226 57.554 55.300 0.046 0.000 1.124 68 M CB -1.134 31.423 32.600 -0.072 0.000 1.353 68 M HN -0.222 8.016 8.290 0.086 0.103 0.410 69 Q N -1.889 117.923 119.800 0.021 0.000 2.135 69 Q HA -0.244 nan 4.340 nan 0.000 0.204 69 Q C 1.843 177.857 176.000 0.024 0.000 0.981 69 Q CA 2.522 58.336 55.803 0.018 0.000 0.856 69 Q CB 0.110 28.839 28.738 -0.014 0.000 0.902 69 Q HN 0.095 8.260 8.270 0.002 0.107 0.425 70 A N -3.287 119.546 122.820 0.022 0.000 2.014 70 A HA -0.024 nan 4.320 nan 0.000 0.218 70 A C 0.346 177.953 177.584 0.038 0.000 1.163 70 A CA 0.456 52.506 52.037 0.021 0.000 0.652 70 A CB 0.456 19.462 19.000 0.011 0.000 0.808 70 A HN -0.145 8.009 8.150 0.018 0.007 0.449 71 G N -3.259 105.579 108.800 0.064 0.000 2.142 71 G HA2 -0.265 nan 3.960 nan 0.000 0.225 71 G HA3 -0.265 nan 3.960 nan 0.000 0.225 71 G C 0.356 175.314 174.900 0.097 0.000 1.015 71 G CA 0.190 45.349 45.100 0.098 0.000 0.716 71 G HN -0.255 7.840 8.290 0.065 0.234 0.508 72 T N -4.601 110.001 114.554 0.080 0.000 3.145 72 T HA 0.127 nan 4.350 nan 0.000 0.281 72 T C -0.538 174.192 174.700 0.051 0.000 1.003 72 T CA -1.757 60.373 62.100 0.050 0.000 0.901 72 T CB 1.000 69.874 68.868 0.010 0.000 1.112 72 T HN 0.074 8.260 8.240 0.072 0.097 0.535 73 H N 5.573 124.661 119.070 0.029 0.000 3.091 73 H HA 0.182 nan 4.556 nan 0.000 0.289 73 H C 0.846 176.162 175.328 -0.021 0.000 0.995 73 H CA -0.954 55.101 56.048 0.013 0.000 1.461 73 H CB 0.856 30.627 29.762 0.015 0.000 1.510 73 H HN -0.584 7.822 8.280 0.210 0.000 0.546 74 P HA -0.097 nan 4.420 nan 0.000 0.230 74 P C -0.620 176.683 177.300 0.005 0.000 1.158 74 P CA 1.522 64.629 63.100 0.011 0.000 0.769 74 P CB 0.397 32.096 31.700 -0.003 0.000 0.807 75 D N -3.428 117.138 120.400 0.277 0.000 2.369 75 D HA 0.141 nan 4.640 nan 0.000 0.211 75 D C -1.771 174.566 176.300 0.061 0.000 1.077 75 D CA -0.119 54.000 54.000 0.197 0.000 0.842 75 D CB 0.866 41.841 40.800 0.291 0.000 0.947 75 D HN -0.366 8.416 8.370 0.795 0.065 0.509 76 Y N 0.977 121.120 120.300 -0.262 0.000 2.341 76 Y HA 0.337 nan 4.550 nan 0.000 0.337 76 Y C -1.823 173.847 175.900 -0.383 0.000 1.014 76 Y CA -0.872 57.123 58.100 -0.175 0.000 1.111 76 Y CB 1.629 40.038 38.460 -0.085 0.000 1.194 76 Y HN -0.782 7.441 8.280 0.005 0.060 0.462 77 Y N 6.709 126.840 120.300 -0.282 0.000 2.446 77 Y HA 0.237 nan 4.550 nan 0.000 0.345 77 Y C -1.294 174.387 175.900 -0.364 0.000 0.984 77 Y CA -1.374 56.571 58.100 -0.259 0.000 1.058 77 Y CB 3.741 42.158 38.460 -0.073 0.000 1.220 77 Y HN 0.607 8.876 8.280 -0.020 0.000 0.455 78 T N 3.723 118.200 114.554 -0.129 0.000 2.879 78 T HA 0.524 nan 4.350 nan 0.000 0.290 78 T C -1.123 173.540 174.700 -0.062 0.000 0.993 78 T CA -0.403 61.614 62.100 -0.140 0.000 0.975 78 T CB 1.325 70.054 68.868 -0.231 0.000 0.981 78 T HN 0.208 8.413 8.240 -0.057 0.000 0.439 79 L N 8.473 129.663 121.223 -0.055 0.000 2.318 79 L HA 0.392 nan 4.340 nan 0.000 0.277 79 L C -2.238 174.573 176.870 -0.099 0.000 1.008 79 L CA -0.604 54.218 54.840 -0.030 0.000 0.846 79 L CB 1.559 43.645 42.059 0.044 0.000 1.220 79 L HN 0.886 9.082 8.230 -0.057 0.000 0.423 80 A N 4.045 126.803 122.820 -0.103 0.000 2.498 80 A HA 0.523 nan 4.320 nan 0.000 0.298 80 A C -2.757 174.789 177.584 -0.064 0.000 1.075 80 A CA -3.143 48.824 52.037 -0.118 0.000 0.714 80 A CB 0.950 19.847 19.000 -0.171 0.000 1.299 80 A HN 0.067 8.172 8.150 -0.076 0.000 0.407 81 P HA -0.037 nan 4.420 nan 0.000 0.263 81 P C -0.970 176.312 177.300 -0.030 0.000 1.195 81 P CA -0.185 62.898 63.100 -0.029 0.000 0.762 81 P CB 0.223 31.909 31.700 -0.022 0.000 0.799 82 E N 5.485 125.672 120.200 -0.021 0.000 2.568 82 E HA -0.229 nan 4.350 nan 0.000 0.262 82 E C 1.174 177.762 176.600 -0.019 0.000 0.961 82 E CA 0.707 57.096 56.400 -0.018 0.000 0.945 82 E CB 0.048 29.742 29.700 -0.010 0.000 0.924 82 E HN 0.256 8.606 8.360 -0.016 0.000 0.467 83 K N 4.530 124.919 120.400 -0.020 0.000 2.362 83 K HA -0.253 nan 4.320 nan 0.000 0.202 83 K C 0.690 177.282 176.600 -0.013 0.000 1.045 83 K CA 2.117 58.394 56.287 -0.017 0.000 0.936 83 K CB -0.396 32.095 32.500 -0.016 0.000 0.747 83 K HN 0.368 8.606 8.250 -0.021 0.000 0.467 84 G N -2.429 106.364 108.800 -0.011 0.000 2.623 84 G HA2 -0.140 nan 3.960 nan 0.000 0.214 84 G HA3 -0.140 nan 3.960 nan 0.000 0.214 84 G C -0.772 174.122 174.900 -0.009 0.000 1.138 84 G CA -0.148 44.946 45.100 -0.009 0.000 0.794 84 G HN -0.025 8.209 8.290 -0.011 0.049 0.535 85 K N -1.368 119.026 120.400 -0.010 0.000 2.279 85 K HA 0.170 nan 4.320 nan 0.000 0.238 85 K C -1.282 175.312 176.600 -0.011 0.000 1.084 85 K CA -0.830 55.452 56.287 -0.009 0.000 0.885 85 K CB 2.153 34.649 32.500 -0.007 0.000 1.319 85 K HN -0.252 7.846 8.250 -0.011 0.145 0.494 86 N N -0.252 118.443 118.700 -0.009 0.000 2.197 86 N HA 0.033 nan 4.740 nan 0.000 0.228 86 N C -1.495 174.011 175.510 -0.006 0.000 1.212 86 N CA 0.447 53.491 53.050 -0.009 0.000 0.883 86 N CB 0.877 39.358 38.487 -0.009 0.000 1.107 86 N HN 0.297 8.673 8.380 -0.008 0.000 0.519 87 T N -4.450 110.101 114.554 -0.006 0.000 2.831 87 T HA 0.430 nan 4.350 nan 0.000 0.287 87 T C -1.819 172.880 174.700 -0.003 0.000 1.070 87 T CA -1.739 60.359 62.100 -0.002 0.000 1.010 87 T CB 3.288 72.156 68.868 -0.000 0.000 1.264 87 T HN -0.794 7.390 8.240 -0.006 0.052 0.532 88 L N 1.609 122.833 121.223 0.001 0.000 2.316 88 L HA 0.377 nan 4.340 nan 0.000 0.280 88 L C -0.847 176.026 176.870 0.005 0.000 1.006 88 L CA -0.968 53.873 54.840 0.002 0.000 0.836 88 L CB 2.632 44.695 42.059 0.007 0.000 1.221 88 L HN 0.534 8.767 8.230 0.004 0.000 0.418 89 G N 3.347 112.149 108.800 0.004 0.000 2.651 89 G HA2 -0.059 nan 3.960 nan 0.000 0.260 89 G HA3 -0.059 nan 3.960 nan 0.000 0.260 89 G C 0.579 175.483 174.900 0.008 0.000 1.216 89 G CA -0.696 44.407 45.100 0.005 0.000 0.913 89 G HN -0.458 8.010 8.290 0.002 -0.178 0.535 90 V N 0.191 120.109 119.914 0.006 0.000 2.548 90 V HA -0.154 nan 4.120 nan 0.000 0.249 90 V C 1.773 177.871 176.094 0.008 0.000 1.055 90 V CA 2.740 65.044 62.300 0.007 0.000 1.065 90 V CB -0.436 31.390 31.823 0.004 0.000 0.681 90 V HN 0.483 8.676 8.190 0.005 0.000 0.462 91 D N 1.056 121.460 120.400 0.007 0.000 2.104 91 D HA -0.254 nan 4.640 nan 0.000 0.194 91 D C 1.990 178.297 176.300 0.012 0.000 0.994 91 D CA 3.550 57.556 54.000 0.008 0.000 0.830 91 D CB -0.950 39.854 40.800 0.008 0.000 0.959 91 D HN 0.302 8.676 8.370 0.006 0.000 0.452 92 A N -0.718 122.110 122.820 0.013 0.000 1.865 92 A HA -0.257 nan 4.320 nan 0.000 0.217 92 A C 2.160 179.758 177.584 0.023 0.000 1.191 92 A CA 2.950 54.998 52.037 0.018 0.000 0.623 92 A CB -0.623 18.386 19.000 0.015 0.000 0.826 92 A HN 0.035 8.192 8.150 0.011 0.000 0.444 93 V N -1.347 118.579 119.914 0.021 0.000 2.220 93 V HA -0.544 nan 4.120 nan 0.000 0.246 93 V C 2.375 178.478 176.094 0.014 0.000 1.049 93 V CA 4.322 66.637 62.300 0.025 0.000 1.003 93 V CB -0.999 30.839 31.823 0.025 0.000 0.634 93 V HN -0.702 7.499 8.190 0.018 0.000 0.444 94 R N -1.998 118.507 120.500 0.009 0.000 2.117 94 R HA -0.466 nan 4.340 nan 0.000 0.243 94 R C 2.073 178.371 176.300 -0.003 0.000 1.143 94 R CA 3.662 59.763 56.100 0.001 0.000 0.968 94 R CB -0.491 29.810 30.300 0.002 0.000 0.863 94 R HN -0.107 8.169 8.270 0.010 0.000 0.444 95 E N -0.827 119.377 120.200 0.006 0.000 2.160 95 E HA -0.261 nan 4.350 nan 0.000 0.195 95 E C 2.450 179.054 176.600 0.007 0.000 0.991 95 E CA 3.163 59.572 56.400 0.014 0.000 0.810 95 E CB 0.022 29.738 29.700 0.027 0.000 0.742 95 E HN -0.087 8.265 8.360 0.011 0.015 0.466 96 V N -1.343 118.561 119.914 -0.016 0.000 2.500 96 V HA -0.190 nan 4.120 nan 0.000 0.243 96 V C 1.924 177.893 176.094 -0.208 0.000 1.039 96 V CA 3.524 65.758 62.300 -0.109 0.000 1.053 96 V CB -0.040 31.742 31.823 -0.068 0.000 0.695 96 V HN -0.026 8.019 8.190 -0.002 0.143 0.463 97 T N -0.924 113.573 114.554 -0.095 0.000 2.833 97 T HA -0.408 nan 4.350 nan 0.000 0.269 97 T C 1.603 176.263 174.700 -0.067 0.000 1.054 97 T CA 4.186 66.246 62.100 -0.066 0.000 1.135 97 T CB -0.626 68.240 68.868 -0.004 0.000 0.869 97 T HN 0.190 8.335 8.240 -0.046 0.067 0.466 98 E N 1.578 121.749 120.200 -0.048 0.000 2.051 98 E HA -0.300 nan 4.350 nan 0.000 0.192 98 E C 2.450 179.028 176.600 -0.036 0.000 0.991 98 E CA 3.018 59.401 56.400 -0.029 0.000 0.799 98 E CB -0.130 29.563 29.700 -0.011 0.000 0.748 98 E HN 0.326 8.540 8.360 -0.041 0.121 0.449 99 K N -0.592 119.778 120.400 -0.049 0.000 2.147 99 K HA -0.214 nan 4.320 nan 0.000 0.205 99 K C 2.783 179.339 176.600 -0.074 0.000 1.049 99 K CA 2.614 58.887 56.287 -0.024 0.000 0.936 99 K CB -0.088 32.440 32.500 0.046 0.000 0.722 99 K HN -0.650 7.565 8.250 -0.057 0.000 0.446 100 L N -2.109 119.004 121.223 -0.184 0.000 2.549 100 L HA -0.292 nan 4.340 nan 0.000 0.229 100 L C 0.761 177.584 176.870 -0.078 0.000 1.158 100 L CA 1.796 56.529 54.840 -0.177 0.000 0.842 100 L CB -0.917 41.014 42.059 -0.213 0.000 0.952 100 L HN -0.025 7.964 8.230 -0.224 0.108 0.452 101 N N -1.738 116.933 118.700 -0.049 0.000 2.336 101 N HA -0.057 nan 4.740 nan 0.000 0.189 101 N C -0.125 175.377 175.510 -0.014 0.000 1.113 101 N CA 0.222 53.255 53.050 -0.029 0.000 0.858 101 N CB 0.883 39.357 38.487 -0.023 0.000 0.970 101 N HN -0.458 7.704 8.380 -0.053 0.186 0.471 102 E N -1.535 118.664 120.200 -0.002 0.000 2.283 102 E HA 0.122 nan 4.350 nan 0.000 0.267 102 E C -1.227 175.384 176.600 0.019 0.000 1.045 102 E CA -0.535 55.873 56.400 0.014 0.000 0.884 102 E CB 1.144 30.862 29.700 0.030 0.000 1.106 102 E HN -0.571 7.634 8.360 -0.004 0.153 0.408 103 H N 0.017 119.100 119.070 0.021 0.000 2.803 103 H HA 0.097 nan 4.556 nan 0.000 0.330 103 H C -0.511 174.843 175.328 0.044 0.000 1.057 103 H CA -0.926 55.136 56.048 0.024 0.000 1.458 103 H CB 0.252 30.026 29.762 0.020 0.000 1.470 103 H HN 0.231 8.523 8.280 0.021 0.000 0.560 104 A N 4.050 126.902 122.820 0.054 0.000 2.573 104 A HA -0.218 nan 4.320 nan 0.000 0.250 104 A C 1.269 178.902 177.584 0.080 0.000 1.049 104 A CA 0.345 52.434 52.037 0.087 0.000 0.767 104 A CB 0.212 19.269 19.000 0.095 0.000 0.965 104 A HN 0.522 8.696 8.150 0.040 0.000 0.514 105 R N 5.151 125.705 120.500 0.090 0.000 2.119 105 R HA -0.359 nan 4.340 nan 0.000 0.246 105 R C 1.279 177.601 176.300 0.038 0.000 1.146 105 R CA 2.831 58.964 56.100 0.055 0.000 0.962 105 R CB -0.022 30.303 30.300 0.042 0.000 0.863 105 R HN 0.130 8.642 8.270 0.119 -0.170 0.442 106 L N -3.229 118.031 121.223 0.062 0.000 2.629 106 L HA 0.057 nan 4.340 nan 0.000 0.230 106 L C 0.499 177.403 176.870 0.057 0.000 1.151 106 L CA -0.102 54.764 54.840 0.043 0.000 0.924 106 L CB 0.202 42.289 42.059 0.046 0.000 1.137 106 L HN -0.380 8.242 8.230 0.112 -0.324 0.457 107 G N -2.462 106.374 108.800 0.059 0.000 2.179 107 G HA2 -0.388 nan 3.960 nan 0.000 0.257 107 G HA3 -0.388 nan 3.960 nan 0.000 0.257 107 G C -0.437 174.497 174.900 0.056 0.000 1.010 107 G CA 0.289 45.419 45.100 0.049 0.000 0.736 107 G HN 0.383 8.479 8.290 0.065 0.233 0.513 108 G N -0.644 108.202 108.800 0.076 0.000 3.407 108 G HA2 0.311 nan 3.960 nan 0.000 0.187 108 G HA3 0.311 nan 3.960 nan 0.000 0.187 108 G C -2.162 172.792 174.900 0.090 0.000 1.262 108 G CA -0.882 44.263 45.100 0.075 0.000 0.808 108 G HN -0.432 7.893 8.290 0.096 0.022 0.687 109 A N -0.464 122.422 122.820 0.110 0.000 2.257 109 A HA 0.402 nan 4.320 nan 0.000 0.289 109 A C -1.245 176.413 177.584 0.123 0.000 1.095 109 A CA -0.391 51.740 52.037 0.158 0.000 0.836 109 A CB 1.219 20.387 19.000 0.279 0.000 1.111 109 A HN 0.166 8.370 8.150 0.089 0.000 0.497 110 K N -2.084 118.382 120.400 0.110 0.000 2.422 110 K HA 0.668 nan 4.320 nan 0.000 0.251 110 K C -1.756 174.927 176.600 0.139 0.000 0.933 110 K CA -1.006 55.354 56.287 0.121 0.000 0.798 110 K CB 3.983 36.517 32.500 0.057 0.000 1.238 110 K HN 0.108 8.403 8.250 0.076 0.000 0.428 111 V N 3.117 123.179 119.914 0.246 0.000 2.638 111 V HA 0.749 nan 4.120 nan 0.000 0.306 111 V C -1.777 174.514 176.094 0.328 0.000 1.052 111 V CA -1.040 61.458 62.300 0.331 0.000 0.885 111 V CB 3.241 35.334 31.823 0.450 0.000 0.999 111 V HN 0.273 8.644 8.190 0.302 0.000 0.424 112 V N 4.271 124.322 119.914 0.228 0.000 2.487 112 V HA 0.701 nan 4.120 nan 0.000 0.298 112 V C -2.323 174.075 176.094 0.506 0.000 1.028 112 V CA -1.484 60.970 62.300 0.256 0.000 0.860 112 V CB 2.307 34.151 31.823 0.036 0.000 0.991 112 V HN 0.849 9.165 8.190 0.209 0.000 0.427 113 W N 8.217 129.655 121.300 0.229 0.000 2.336 113 W HA 0.535 nan 4.660 nan 0.000 0.315 113 W C -2.206 174.432 176.519 0.200 0.000 1.016 113 W CA -3.538 53.973 57.345 0.276 0.000 1.318 113 W CB 1.209 30.804 29.460 0.225 0.000 1.247 113 W HN 0.507 8.917 8.180 0.383 0.000 0.414 114 V N 10.451 130.697 119.914 0.553 0.000 2.339 114 V HA 0.182 nan 4.120 nan 0.000 0.261 114 V C 0.270 176.491 176.094 0.212 0.000 1.058 114 V CA -0.261 62.194 62.300 0.260 0.000 0.897 114 V CB -1.235 30.744 31.823 0.260 0.000 1.052 114 V HN 1.024 9.625 8.190 0.685 0.000 0.480 115 T N 8.835 123.289 114.554 -0.166 0.000 2.737 115 T HA -0.264 nan 4.350 nan 0.000 0.269 115 T C -0.150 174.599 174.700 0.081 0.000 1.040 115 T CA 3.957 65.934 62.100 -0.205 0.000 1.142 115 T CB 0.070 68.693 68.868 -0.408 0.000 0.861 115 T HN 0.515 8.590 8.240 -0.275 0.000 0.456 116 D N -1.763 118.680 120.400 0.072 0.000 2.318 116 D HA 0.104 nan 4.640 nan 0.000 0.233 116 D C -0.892 175.457 176.300 0.083 0.000 1.348 116 D CA -0.032 54.024 54.000 0.094 0.000 0.983 116 D CB 1.083 41.917 40.800 0.057 0.000 1.416 116 D HN -0.547 7.823 8.370 0.040 0.023 0.558 117 A N 4.432 127.318 122.820 0.110 0.000 2.131 117 A HA -0.222 nan 4.320 nan 0.000 0.220 117 A C 0.892 178.513 177.584 0.060 0.000 1.158 117 A CA 2.517 54.607 52.037 0.089 0.000 0.665 117 A CB -0.140 18.921 19.000 0.102 0.000 0.795 117 A HN 0.345 8.580 8.150 0.141 0.000 0.460 118 A N -0.827 122.027 122.820 0.057 0.000 1.929 118 A HA -0.110 nan 4.320 nan 0.000 0.216 118 A C 1.277 178.878 177.584 0.029 0.000 1.176 118 A CA 2.070 54.131 52.037 0.040 0.000 0.628 118 A CB -0.463 18.560 19.000 0.039 0.000 0.816 118 A HN -0.431 7.971 8.150 0.068 -0.212 0.444 119 L N -3.567 117.673 121.223 0.028 0.000 2.465 119 L HA -0.123 nan 4.340 nan 0.000 0.224 119 L C -0.338 176.541 176.870 0.015 0.000 1.145 119 L CA 0.021 54.871 54.840 0.017 0.000 0.834 119 L CB -0.166 41.899 42.059 0.010 0.000 0.944 119 L HN -0.641 7.514 8.230 0.035 0.096 0.451 120 L N -1.607 119.629 121.223 0.022 0.000 2.485 120 L HA -0.279 nan 4.340 nan 0.000 0.275 120 L C 0.446 177.324 176.870 0.014 0.000 1.207 120 L CA 0.655 55.507 54.840 0.020 0.000 0.855 120 L CB 0.309 42.384 42.059 0.027 0.000 1.114 120 L HN -0.838 7.228 8.230 0.030 0.182 0.485 121 T N 4.724 119.284 114.554 0.010 0.000 2.828 121 T HA 0.015 nan 4.350 nan 0.000 0.290 121 T C 0.291 174.995 174.700 0.007 0.000 1.019 121 T CA 0.157 62.261 62.100 0.007 0.000 1.031 121 T CB 1.017 69.888 68.868 0.005 0.000 1.001 121 T HN 0.057 8.304 8.240 0.011 0.000 0.531 122 D N 2.959 123.362 120.400 0.005 0.000 2.218 122 D HA -0.212 nan 4.640 nan 0.000 0.204 122 D C 1.761 178.062 176.300 0.003 0.000 0.976 122 D CA 3.034 57.036 54.000 0.004 0.000 0.853 122 D CB -0.030 40.772 40.800 0.003 0.000 0.939 122 D HN 0.290 8.662 8.370 0.004 0.000 0.481 123 A N -1.678 121.144 122.820 0.003 0.000 1.975 123 A HA -0.048 nan 4.320 nan 0.000 0.215 123 A C 1.477 179.062 177.584 0.002 0.000 1.170 123 A CA 2.359 54.396 52.037 0.001 0.000 0.656 123 A CB -0.793 18.207 19.000 0.001 0.000 0.821 123 A HN -0.041 8.088 8.150 0.003 0.022 0.449 124 A N -0.987 121.836 122.820 0.005 0.000 1.873 124 A HA -0.249 nan 4.320 nan 0.000 0.215 124 A C 1.845 179.433 177.584 0.008 0.000 1.186 124 A CA 2.475 54.517 52.037 0.008 0.000 0.616 124 A CB -0.903 18.104 19.000 0.012 0.000 0.823 124 A HN -0.147 7.911 8.150 0.005 0.095 0.442 125 A N -2.101 120.723 122.820 0.008 0.000 1.902 125 A HA -0.369 nan 4.320 nan 0.000 0.217 125 A C 1.762 179.343 177.584 -0.004 0.000 1.181 125 A CA 3.340 55.380 52.037 0.006 0.000 0.623 125 A CB -0.743 18.262 19.000 0.009 0.000 0.818 125 A HN 0.524 8.679 8.150 0.009 0.000 0.443 126 N N -1.615 117.083 118.700 -0.004 0.000 2.223 126 N HA -0.298 nan 4.740 nan 0.000 0.185 126 N C 2.013 177.515 175.510 -0.013 0.000 1.016 126 N CA 3.211 56.255 53.050 -0.008 0.000 0.863 126 N CB -0.165 38.318 38.487 -0.005 0.000 0.983 126 N HN -0.533 7.847 8.380 -0.001 0.000 0.429 127 A N -0.172 122.642 122.820 -0.010 0.000 1.930 127 A HA -0.105 nan 4.320 nan 0.000 0.215 127 A C 2.150 179.722 177.584 -0.020 0.000 1.176 127 A CA 2.657 54.687 52.037 -0.012 0.000 0.632 127 A CB -0.509 18.488 19.000 -0.004 0.000 0.819 127 A HN -0.275 7.753 8.150 -0.005 0.120 0.445 128 L N -0.222 120.989 121.223 -0.021 0.000 2.017 128 L HA -0.250 nan 4.340 nan 0.000 0.208 128 L C 1.515 178.332 176.870 -0.089 0.000 1.073 128 L CA 2.586 57.400 54.840 -0.043 0.000 0.745 128 L CB -0.263 41.781 42.059 -0.025 0.000 0.894 128 L HN -0.160 7.985 8.230 -0.011 0.078 0.432 129 L N -0.776 120.410 121.223 -0.063 0.000 2.021 129 L HA -0.502 nan 4.340 nan 0.000 0.215 129 L C 1.391 178.219 176.870 -0.069 0.000 1.074 129 L CA 3.848 58.650 54.840 -0.063 0.000 0.760 129 L CB -0.680 41.358 42.059 -0.034 0.000 0.889 129 L HN 0.366 8.571 8.230 -0.041 0.000 0.433 130 K N -3.642 116.727 120.400 -0.052 0.000 2.152 130 K HA -0.326 nan 4.320 nan 0.000 0.206 130 K C 1.878 178.440 176.600 -0.063 0.000 1.048 130 K CA 2.513 58.772 56.287 -0.047 0.000 0.933 130 K CB -1.038 31.443 32.500 -0.032 0.000 0.721 130 K HN -0.434 7.784 8.250 -0.042 0.007 0.447 131 T N 0.735 115.242 114.554 -0.079 0.000 2.851 131 T HA -0.057 nan 4.350 nan 0.000 0.262 131 T C 2.466 177.063 174.700 -0.173 0.000 1.043 131 T CA 3.197 65.245 62.100 -0.087 0.000 1.140 131 T CB 0.052 68.895 68.868 -0.043 0.000 0.872 131 T HN -0.567 7.506 8.240 -0.077 0.121 0.446 132 L N 1.410 122.483 121.223 -0.251 0.000 2.083 132 L HA -0.403 nan 4.340 nan 0.000 0.209 132 L C 1.668 178.469 176.870 -0.114 0.000 1.083 132 L CA 3.206 57.891 54.840 -0.259 0.000 0.752 132 L CB -0.539 41.392 42.059 -0.214 0.000 0.899 132 L HN 0.302 8.325 8.230 -0.227 0.070 0.433 133 E N -3.251 116.899 120.200 -0.083 0.000 2.418 133 E HA -0.201 nan 4.350 nan 0.000 0.197 133 E C 0.394 176.943 176.600 -0.085 0.000 1.026 133 E CA 1.623 57.991 56.400 -0.052 0.000 0.862 133 E CB 0.321 30.002 29.700 -0.033 0.000 0.799 133 E HN -0.073 8.234 8.360 -0.087 0.000 0.518 134 E N -0.914 119.217 120.200 -0.116 0.000 3.544 134 E HA 0.199 nan 4.350 nan 0.000 0.264 134 E C -2.473 174.043 176.600 -0.140 0.000 1.225 134 E CA -1.861 54.469 56.400 -0.117 0.000 1.045 134 E CB 1.312 30.969 29.700 -0.073 0.000 1.338 134 E HN -0.527 7.570 8.360 -0.125 0.188 0.395 135 P HA 0.162 nan 4.420 nan 0.000 0.262 135 P C -2.146 175.073 177.300 -0.135 0.000 1.199 135 P CA -0.931 62.046 63.100 -0.205 0.000 0.763 135 P CB -0.533 30.832 31.700 -0.558 0.000 0.790 136 P HA -0.062 nan 4.420 nan 0.000 0.269 136 P C -0.429 176.788 177.300 -0.140 0.000 1.209 136 P CA -0.297 62.755 63.100 -0.079 0.000 0.776 136 P CB 0.595 32.262 31.700 -0.054 0.000 0.876 137 A N 4.826 127.572 122.820 -0.123 0.000 2.561 137 A HA -0.133 nan 4.320 nan 0.000 0.234 137 A C 0.350 177.824 177.584 -0.182 0.000 1.055 137 A CA 1.223 53.177 52.037 -0.138 0.000 0.756 137 A CB -0.002 18.952 19.000 -0.076 0.000 0.986 137 A HN 0.271 8.366 8.150 -0.091 0.000 0.505 138 E N -0.726 119.324 120.200 -0.249 0.000 2.440 138 E HA -0.435 nan 4.350 nan 0.000 0.246 138 E C -1.030 175.277 176.600 -0.488 0.000 1.165 138 E CA 1.087 57.316 56.400 -0.283 0.000 0.726 138 E CB -2.515 27.168 29.700 -0.028 0.000 1.271 138 E HN 0.484 8.691 8.360 -0.254 0.000 0.397 139 T N -0.625 113.503 114.554 -0.710 0.000 2.807 139 T HA 0.491 nan 4.350 nan 0.000 0.279 139 T C -1.122 173.015 174.700 -0.938 0.000 0.993 139 T CA -0.290 61.409 62.100 -0.669 0.000 0.970 139 T CB 1.565 70.127 68.868 -0.511 0.000 0.950 139 T HN -0.646 7.178 8.240 -0.660 0.021 0.441 140 W N 4.834 126.009 121.300 -0.207 0.000 2.471 140 W HA 0.311 nan 4.660 nan 0.000 0.318 140 W C -1.220 175.119 176.519 -0.300 0.000 1.034 140 W CA -2.164 55.099 57.345 -0.135 0.000 1.224 140 W CB 2.016 31.449 29.460 -0.045 0.000 1.335 140 W HN 0.969 8.885 8.180 -0.261 0.107 0.452 141 F N 1.451 121.386 119.950 -0.026 0.000 2.422 141 F HA 0.732 nan 4.527 nan 0.000 0.333 141 F C -0.897 174.696 175.800 -0.344 0.000 1.095 141 F CA -1.156 56.833 58.000 -0.018 0.000 1.038 141 F CB 2.011 41.055 39.000 0.073 0.000 1.156 141 F HN 0.960 9.428 8.300 0.464 0.111 0.483 142 F N 0.812 121.034 119.950 0.453 0.000 2.553 142 F HA 0.540 nan 4.527 nan 0.000 0.335 142 F C -1.826 174.208 175.800 0.390 0.000 1.148 142 F CA -1.065 57.132 58.000 0.327 0.000 0.963 142 F CB 2.031 41.121 39.000 0.151 0.000 1.217 142 F HN 0.818 9.470 8.300 0.586 0.000 0.441 143 L N 3.753 125.235 121.223 0.433 0.000 2.341 143 L HA 0.806 nan 4.340 nan 0.000 0.278 143 L C -1.921 175.155 176.870 0.344 0.000 1.005 143 L CA -1.152 53.911 54.840 0.372 0.000 0.818 143 L CB 2.496 44.698 42.059 0.238 0.000 1.259 143 L HN 0.910 9.351 8.230 0.350 0.000 0.418 144 A N 2.816 125.852 122.820 0.361 0.000 2.374 144 A HA 0.980 nan 4.320 nan 0.000 0.317 144 A C -2.168 175.551 177.584 0.225 0.000 1.094 144 A CA -1.548 50.674 52.037 0.308 0.000 0.765 144 A CB 3.233 22.468 19.000 0.393 0.000 1.268 144 A HN 0.376 8.758 8.150 0.388 0.000 0.438 145 T N -2.457 112.208 114.554 0.185 0.000 2.853 145 T HA 0.481 nan 4.350 nan 0.000 0.311 145 T C -0.732 174.045 174.700 0.129 0.000 1.307 145 T CA -0.812 61.371 62.100 0.139 0.000 1.019 145 T CB 3.254 72.189 68.868 0.110 0.000 1.264 145 T HN 0.348 8.703 8.240 0.192 0.000 0.497 146 R N 2.646 123.206 120.500 0.100 0.000 2.090 146 R HA -0.046 nan 4.340 nan 0.000 0.219 146 R C -1.014 175.332 176.300 0.078 0.000 1.100 146 R CA 2.023 58.178 56.100 0.090 0.000 0.991 146 R CB 0.859 31.197 30.300 0.064 0.000 0.893 146 R HN 0.622 8.945 8.270 0.087 0.000 0.443 147 E N -2.267 117.968 120.200 0.059 0.000 2.325 147 E HA 0.458 nan 4.350 nan 0.000 0.248 147 E C -1.709 174.913 176.600 0.037 0.000 0.912 147 E CA -3.531 52.892 56.400 0.038 0.000 0.782 147 E CB 1.075 30.788 29.700 0.022 0.000 1.264 147 E HN -0.282 8.113 8.360 0.058 0.000 0.417 148 P HA -0.101 nan 4.420 nan 0.000 0.228 148 P C 0.531 177.841 177.300 0.017 0.000 1.151 148 P CA 1.728 64.848 63.100 0.033 0.000 0.770 148 P CB 0.193 31.911 31.700 0.030 0.000 0.786 149 E N -1.371 118.834 120.200 0.009 0.000 2.204 149 E HA -0.149 nan 4.350 nan 0.000 0.194 149 E C 1.451 178.056 176.600 0.008 0.000 0.989 149 E CA 2.269 58.671 56.400 0.003 0.000 0.824 149 E CB -0.887 28.812 29.700 -0.002 0.000 0.756 149 E HN 0.511 8.815 8.360 0.008 0.060 0.477 150 R N -1.983 118.526 120.500 0.014 0.000 2.363 150 R HA -0.081 nan 4.340 nan 0.000 0.236 150 R C -0.050 176.261 176.300 0.018 0.000 0.966 150 R CA -0.214 55.895 56.100 0.014 0.000 1.100 150 R CB -0.285 30.025 30.300 0.016 0.000 1.125 150 R HN -0.413 7.729 8.270 0.017 0.138 0.514 151 L N -1.243 119.992 121.223 0.019 0.000 2.334 151 L HA 0.100 nan 4.340 nan 0.000 0.270 151 L C -0.302 176.576 176.870 0.013 0.000 1.018 151 L CA -1.558 53.294 54.840 0.020 0.000 0.811 151 L CB 1.381 43.456 42.059 0.027 0.000 1.271 151 L HN -0.892 7.256 8.230 0.016 0.092 0.443 152 L N 1.591 122.821 121.223 0.012 0.000 2.615 152 L HA -0.105 nan 4.340 nan 0.000 0.271 152 L C 1.017 177.890 176.870 0.005 0.000 1.183 152 L CA 0.534 55.379 54.840 0.007 0.000 0.933 152 L CB 1.144 43.206 42.059 0.005 0.000 1.199 152 L HN 0.200 8.439 8.230 0.016 0.000 0.487 153 A N 6.937 129.758 122.820 0.003 0.000 1.917 153 A HA -0.399 nan 4.320 nan 0.000 0.219 153 A C 1.454 179.037 177.584 -0.001 0.000 1.182 153 A CA 3.372 55.409 52.037 0.001 0.000 0.633 153 A CB -0.765 18.234 19.000 -0.000 0.000 0.819 153 A HN 0.471 8.622 8.150 0.003 0.000 0.448 154 T N -4.557 109.997 114.554 -0.001 0.000 2.881 154 T HA -0.235 nan 4.350 nan 0.000 0.270 154 T C 1.955 176.653 174.700 -0.004 0.000 1.068 154 T CA 2.506 64.605 62.100 -0.003 0.000 1.131 154 T CB -0.772 68.093 68.868 -0.004 0.000 0.871 154 T HN -0.003 8.236 8.240 -0.001 0.000 0.479 155 L N 1.290 122.511 121.223 -0.004 0.000 2.027 155 L HA -0.323 nan 4.340 nan 0.000 0.206 155 L C 2.137 179.004 176.870 -0.005 0.000 1.074 155 L CA 2.933 57.769 54.840 -0.007 0.000 0.745 155 L CB -0.342 41.718 42.059 0.000 0.000 0.898 155 L HN -0.402 7.695 8.230 -0.002 0.132 0.433 156 R N -1.841 118.658 120.500 -0.001 0.000 2.103 156 R HA -0.386 nan 4.340 nan 0.000 0.242 156 R C 2.781 179.071 176.300 -0.016 0.000 1.142 156 R CA 3.496 59.593 56.100 -0.005 0.000 0.960 156 R CB -0.238 30.061 30.300 -0.002 0.000 0.858 156 R HN -0.440 7.831 8.270 0.001 0.000 0.439 157 S N -1.902 113.791 115.700 -0.011 0.000 2.555 157 S HA -0.120 nan 4.470 nan 0.000 0.230 157 S C 1.139 175.738 174.600 -0.001 0.000 0.978 157 S CA 1.680 59.874 58.200 -0.010 0.000 0.934 157 S CB -0.143 63.056 63.200 -0.002 0.000 0.766 157 S HN -0.493 7.814 8.310 -0.006 0.000 0.533 158 R N -0.828 119.674 120.500 0.004 0.000 2.362 158 R HA 0.229 nan 4.340 nan 0.000 0.227 158 R C -0.537 175.780 176.300 0.028 0.000 0.905 158 R CA -0.227 55.900 56.100 0.046 0.000 1.067 158 R CB 0.579 30.908 30.300 0.047 0.000 1.078 158 R HN -0.648 7.563 8.270 -0.004 0.056 0.516 159 C N -2.070 117.177 119.300 -0.089 0.000 2.529 159 C HA 0.319 nan 4.460 nan 0.000 0.329 159 C C -1.233 173.519 174.990 -0.397 0.000 1.194 159 C CA -1.758 57.121 59.018 -0.231 0.000 1.779 159 C CB 2.861 30.545 27.740 -0.093 0.000 2.322 159 C HN -0.669 7.459 8.230 -0.067 0.062 0.500 160 R N 1.801 121.932 120.500 -0.616 0.000 2.221 160 R HA 0.260 nan 4.340 nan 0.000 0.327 160 R C -1.665 174.552 176.300 -0.139 0.000 1.033 160 R CA -0.621 55.228 56.100 -0.419 0.000 0.887 160 R CB 1.374 31.397 30.300 -0.462 0.000 1.057 160 R HN 0.611 8.480 8.270 -0.668 0.000 0.455 161 L N 6.410 127.595 121.223 -0.063 0.000 2.331 161 L HA 0.277 nan 4.340 nan 0.000 0.278 161 L C -1.532 175.390 176.870 0.087 0.000 1.106 161 L CA -0.224 54.631 54.840 0.026 0.000 0.824 161 L CB 1.205 43.271 42.059 0.012 0.000 1.142 161 L HN 0.437 8.614 8.230 -0.088 0.000 0.443 162 H N 8.960 128.068 119.070 0.064 0.000 2.800 162 H HA 0.321 nan 4.556 nan 0.000 0.322 162 H C -2.109 173.296 175.328 0.129 0.000 0.979 162 H CA -1.494 54.602 56.048 0.079 0.000 1.277 162 H CB 3.323 33.125 29.762 0.067 0.000 1.484 162 H HN 0.949 9.256 8.280 0.216 0.103 0.512 163 Y N 8.575 128.682 120.300 -0.322 0.000 2.404 163 Y HA 0.123 nan 4.550 nan 0.000 0.344 163 Y C -1.708 174.075 175.900 -0.193 0.000 0.995 163 Y CA -1.671 56.328 58.100 -0.169 0.000 1.201 163 Y CB 0.458 38.837 38.460 -0.136 0.000 1.151 163 Y HN 0.511 8.657 8.280 -0.224 0.000 0.517 164 L N 10.616 131.600 121.223 -0.399 0.000 2.375 164 L HA 0.100 nan 4.340 nan 0.000 0.276 164 L C -2.027 174.413 176.870 -0.717 0.000 1.162 164 L CA -1.448 53.213 54.840 -0.298 0.000 0.991 164 L CB -0.088 41.957 42.059 -0.025 0.000 1.315 164 L HN 0.346 8.462 8.230 -0.189 0.000 0.431 165 A N 6.325 128.667 122.820 -0.796 0.000 2.388 165 A HA 0.225 nan 4.320 nan 0.000 0.257 165 A C -1.849 175.500 177.584 -0.392 0.000 1.095 165 A CA -2.354 49.246 52.037 -0.728 0.000 0.791 165 A CB -0.500 18.287 19.000 -0.355 0.000 1.029 165 A HN -0.391 7.433 8.150 -0.543 0.000 0.489 166 P HA 0.128 nan 4.420 nan 0.000 0.267 166 P C -1.925 175.154 177.300 -0.368 0.000 1.200 166 P CA -1.120 61.748 63.100 -0.387 0.000 0.772 166 P CB -0.123 31.412 31.700 -0.275 0.000 0.855 167 P HA 0.200 nan 4.420 nan 0.000 0.277 167 P C -2.321 174.831 177.300 -0.246 0.000 1.271 167 P CA -1.477 61.381 63.100 -0.404 0.000 0.795 167 P CB -0.439 30.928 31.700 -0.555 0.000 1.101 168 P HA 0.072 nan 4.420 nan 0.000 0.266 168 P C 0.476 177.777 177.300 0.001 0.000 1.195 168 P CA 0.032 63.098 63.100 -0.058 0.000 0.768 168 P CB 0.819 32.508 31.700 -0.019 0.000 0.838 169 E N 3.704 123.900 120.200 -0.007 0.000 2.086 169 E HA -0.561 nan 4.350 nan 0.000 0.200 169 E C 1.927 178.557 176.600 0.049 0.000 1.012 169 E CA 4.170 60.574 56.400 0.007 0.000 0.812 169 E CB -0.053 29.651 29.700 0.007 0.000 0.743 169 E HN 0.538 8.888 8.360 -0.016 0.000 0.453 170 Q N -2.416 117.424 119.800 0.066 0.000 2.124 170 Q HA -0.277 nan 4.340 nan 0.000 0.202 170 Q C 1.798 177.867 176.000 0.114 0.000 0.977 170 Q CA 3.003 58.852 55.803 0.076 0.000 0.850 170 Q CB -0.423 28.356 28.738 0.070 0.000 0.901 170 Q HN 0.334 8.627 8.270 0.054 0.009 0.429 171 Y N 0.141 120.448 120.300 0.013 0.000 2.220 171 Y HA -0.391 nan 4.550 nan 0.000 0.291 171 Y C 1.107 177.050 175.900 0.071 0.000 1.129 171 Y CA 2.927 61.053 58.100 0.044 0.000 1.161 171 Y CB -0.163 38.310 38.460 0.022 0.000 0.997 171 Y HN -0.469 7.831 8.280 0.237 0.122 0.522 172 A N -0.598 122.336 122.820 0.190 0.000 1.930 172 A HA -0.352 nan 4.320 nan 0.000 0.217 172 A C 2.069 179.746 177.584 0.155 0.000 1.175 172 A CA 3.152 55.233 52.037 0.073 0.000 0.627 172 A CB -0.833 18.111 19.000 -0.093 0.000 0.815 172 A HN 0.046 8.238 8.150 0.197 0.076 0.443 173 V N -1.991 117.980 119.914 0.096 0.000 2.295 173 V HA -0.524 nan 4.120 nan 0.000 0.246 173 V C 2.242 178.369 176.094 0.054 0.000 1.049 173 V CA 4.993 67.339 62.300 0.077 0.000 1.024 173 V CB -1.027 30.821 31.823 0.042 0.000 0.648 173 V HN 0.470 8.705 8.190 0.076 0.000 0.447 174 T N 2.231 116.803 114.554 0.029 0.000 2.708 174 T HA -0.280 nan 4.350 nan 0.000 0.266 174 T C 1.301 175.994 174.700 -0.011 0.000 1.037 174 T CA 4.134 66.224 62.100 -0.018 0.000 1.146 174 T CB -0.481 68.358 68.868 -0.047 0.000 0.865 174 T HN -0.476 7.783 8.240 0.033 0.000 0.435 175 W N 1.750 122.947 121.300 -0.172 0.000 2.335 175 W HA -0.407 nan 4.660 nan 0.000 0.311 175 W C 1.757 178.257 176.519 -0.032 0.000 1.213 175 W CA 2.797 60.079 57.345 -0.105 0.000 1.274 175 W CB -0.778 28.660 29.460 -0.037 0.000 1.148 175 W HN -0.093 8.164 8.180 0.129 0.000 0.498 176 L N -0.266 120.916 121.223 -0.067 0.000 2.046 176 L HA -0.531 nan 4.340 nan 0.000 0.208 176 L C 1.827 178.533 176.870 -0.273 0.000 1.077 176 L CA 2.950 57.667 54.840 -0.205 0.000 0.747 176 L CB -0.429 41.709 42.059 0.133 0.000 0.896 176 L HN -0.262 8.210 8.230 0.403 0.000 0.432 177 S N -2.017 113.575 115.700 -0.181 0.000 2.440 177 S HA -0.399 nan 4.470 nan 0.000 0.238 177 S C 1.597 176.064 174.600 -0.222 0.000 1.010 177 S CA 2.778 60.864 58.200 -0.190 0.000 0.972 177 S CB -0.106 63.019 63.200 -0.124 0.000 0.774 177 S HN 0.275 8.335 8.310 -0.101 0.189 0.501 178 R N -1.808 118.530 120.500 -0.269 0.000 2.200 178 R HA -0.012 nan 4.340 nan 0.000 0.208 178 R C 1.694 177.802 176.300 -0.320 0.000 1.033 178 R CA 1.317 57.257 56.100 -0.267 0.000 1.000 178 R CB -0.165 29.980 30.300 -0.259 0.000 0.906 178 R HN -0.642 7.290 8.270 -0.298 0.160 0.462 179 E N -1.797 118.144 120.200 -0.432 0.000 2.190 179 E HA -0.022 nan 4.350 nan 0.000 0.191 179 E C 0.114 176.557 176.600 -0.262 0.000 0.978 179 E CA 1.086 57.256 56.400 -0.383 0.000 0.839 179 E CB 0.983 30.383 29.700 -0.500 0.000 0.787 179 E HN -0.436 7.496 8.360 -0.505 0.125 0.473 180 V N -5.925 113.814 119.914 -0.291 0.000 3.159 180 V HA 0.454 nan 4.120 nan 0.000 0.308 180 V C -1.296 174.618 176.094 -0.300 0.000 1.190 180 V CA -2.298 59.823 62.300 -0.298 0.000 1.037 180 V CB 3.113 34.668 31.823 -0.447 0.000 1.060 180 V HN -0.321 7.676 8.190 -0.322 0.000 0.437 181 T N 5.588 119.982 114.554 -0.268 0.000 2.929 181 T HA 0.394 nan 4.350 nan 0.000 0.331 181 T C -1.286 173.257 174.700 -0.261 0.000 1.120 181 T CA 0.261 62.229 62.100 -0.220 0.000 0.973 181 T CB -0.793 67.986 68.868 -0.148 0.000 1.036 181 T HN 0.217 8.308 8.240 -0.248 0.000 0.502 182 M N 3.279 122.701 119.600 -0.298 0.000 2.622 182 M HA 0.348 nan 4.480 nan 0.000 0.276 182 M C -1.157 175.031 176.300 -0.186 0.000 1.265 182 M CA -1.536 53.590 55.300 -0.291 0.000 0.850 182 M CB 3.347 35.618 32.600 -0.548 0.000 1.720 182 M HN 0.120 8.239 8.290 -0.284 0.000 0.465 183 S N 1.941 117.577 115.700 -0.106 0.000 2.549 183 S HA 0.004 nan 4.470 nan 0.000 0.286 183 S C 0.926 175.494 174.600 -0.053 0.000 1.314 183 S CA 0.407 58.578 58.200 -0.050 0.000 1.062 183 S CB 0.909 64.111 63.200 0.003 0.000 0.865 183 S HN 0.040 8.298 8.310 -0.087 0.000 0.498 184 Q N 5.842 125.618 119.800 -0.039 0.000 2.437 184 Q HA -0.243 nan 4.340 nan 0.000 0.210 184 Q C 1.328 177.336 176.000 0.014 0.000 0.972 184 Q CA 2.561 58.348 55.803 -0.026 0.000 0.903 184 Q CB -0.153 28.571 28.738 -0.023 0.000 0.967 184 Q HN 0.723 8.973 8.270 -0.033 0.000 0.486 185 D N -1.622 118.800 120.400 0.036 0.000 2.162 185 D HA -0.186 nan 4.640 nan 0.000 0.203 185 D C 1.033 177.403 176.300 0.117 0.000 0.967 185 D CA 2.341 56.381 54.000 0.066 0.000 0.840 185 D CB -1.060 39.777 40.800 0.061 0.000 0.972 185 D HN -0.415 7.934 8.370 0.029 0.039 0.482 186 A N -0.112 122.793 122.820 0.142 0.000 1.933 186 A HA -0.214 nan 4.320 nan 0.000 0.218 186 A C 2.126 179.839 177.584 0.214 0.000 1.175 186 A CA 2.795 54.993 52.037 0.268 0.000 0.628 186 A CB -0.619 18.545 19.000 0.273 0.000 0.814 186 A HN -0.569 7.638 8.150 0.095 0.000 0.444 187 L N -1.824 119.456 121.223 0.095 0.000 1.994 187 L HA -0.367 nan 4.340 nan 0.000 0.208 187 L C 2.046 178.993 176.870 0.129 0.000 1.071 187 L CA 2.861 57.768 54.840 0.112 0.000 0.745 187 L CB -0.377 41.671 42.059 -0.018 0.000 0.892 187 L HN -0.648 7.593 8.230 0.019 0.000 0.431 188 L N -1.187 120.090 121.223 0.091 0.000 2.079 188 L HA -0.396 nan 4.340 nan 0.000 0.210 188 L C 1.575 178.505 176.870 0.101 0.000 1.081 188 L CA 2.877 57.765 54.840 0.081 0.000 0.752 188 L CB -0.843 41.252 42.059 0.061 0.000 0.896 188 L HN -0.248 8.023 8.230 0.069 0.000 0.433 189 A N -1.136 121.767 122.820 0.138 0.000 1.858 189 A HA -0.407 nan 4.320 nan 0.000 0.216 189 A C 1.786 179.470 177.584 0.168 0.000 1.190 189 A CA 3.297 55.430 52.037 0.160 0.000 0.617 189 A CB -1.102 18.034 19.000 0.227 0.000 0.827 189 A HN 0.556 8.603 8.150 0.150 0.193 0.443 190 A N -1.072 121.849 122.820 0.168 0.000 1.908 190 A HA -0.291 nan 4.320 nan 0.000 0.218 190 A C 1.955 179.583 177.584 0.073 0.000 1.181 190 A CA 2.968 55.035 52.037 0.051 0.000 0.627 190 A CB -0.723 18.095 19.000 -0.302 0.000 0.818 190 A HN 0.113 8.272 8.150 0.192 0.107 0.445 191 L N -1.432 119.842 121.223 0.085 0.000 2.017 191 L HA -0.364 nan 4.340 nan 0.000 0.208 191 L C 2.069 178.977 176.870 0.062 0.000 1.073 191 L CA 3.083 57.960 54.840 0.061 0.000 0.745 191 L CB -0.314 41.777 42.059 0.054 0.000 0.894 191 L HN 0.229 8.413 8.230 0.105 0.110 0.432 192 R N -1.636 118.912 120.500 0.080 0.000 2.092 192 R HA -0.299 nan 4.340 nan 0.000 0.231 192 R C 3.257 179.639 176.300 0.137 0.000 1.119 192 R CA 3.530 59.682 56.100 0.087 0.000 0.970 192 R CB -0.208 30.139 30.300 0.078 0.000 0.864 192 R HN 0.208 8.422 8.270 0.085 0.107 0.440 193 L N -0.108 121.218 121.223 0.170 0.000 2.191 193 L HA -0.277 nan 4.340 nan 0.000 0.212 193 L C 1.552 178.601 176.870 0.299 0.000 1.103 193 L CA 2.734 57.751 54.840 0.295 0.000 0.769 193 L CB -0.167 42.061 42.059 0.281 0.000 0.908 193 L HN 0.466 8.688 8.230 0.143 0.094 0.438 194 S N -2.355 113.442 115.700 0.162 0.000 2.575 194 S HA -0.008 nan 4.470 nan 0.000 0.215 194 S C -0.752 173.874 174.600 0.042 0.000 0.966 194 S CA 0.525 58.778 58.200 0.088 0.000 0.911 194 S CB -0.150 63.082 63.200 0.054 0.000 0.780 194 S HN -0.278 7.974 8.310 0.133 0.139 0.514 195 A N -0.739 122.121 122.820 0.066 0.000 2.905 195 A HA -0.321 nan 4.320 nan 0.000 0.260 195 A C 0.413 177.993 177.584 -0.006 0.000 1.398 195 A CA 0.806 52.868 52.037 0.041 0.000 0.840 195 A CB -2.308 16.713 19.000 0.035 0.000 1.059 195 A HN -0.179 7.831 8.150 0.108 0.205 0.647 196 G N -5.901 102.880 108.800 -0.032 0.000 2.175 196 G HA2 -0.359 nan 3.960 nan 0.000 0.244 196 G HA3 -0.359 nan 3.960 nan 0.000 0.244 196 G C -0.282 174.492 174.900 -0.210 0.000 0.982 196 G CA -0.396 44.643 45.100 -0.103 0.000 0.641 196 G HN 0.031 8.286 8.290 -0.005 0.032 0.527 197 S N 1.862 117.461 115.700 -0.168 0.000 2.405 197 S HA 0.337 nan 4.470 nan 0.000 0.291 197 S C -1.004 173.447 174.600 -0.249 0.000 1.137 197 S CA -3.442 54.614 58.200 -0.240 0.000 1.061 197 S CB 0.789 63.920 63.200 -0.115 0.000 1.001 197 S HN -0.666 7.426 8.310 -0.090 0.164 0.507 198 P HA -0.057 nan 4.420 nan 0.000 0.219 198 P C 0.648 177.924 177.300 -0.040 0.000 1.150 198 P CA 1.858 64.743 63.100 -0.358 0.000 0.814 198 P CB 0.345 31.435 31.700 -1.017 0.000 0.787 199 G N -2.583 106.136 108.800 -0.134 0.000 2.394 199 G HA2 -0.231 nan 3.960 nan 0.000 0.215 199 G HA3 -0.231 nan 3.960 nan 0.000 0.215 199 G C 0.695 175.691 174.900 0.160 0.000 1.165 199 G CA 1.442 46.602 45.100 0.100 0.000 0.784 199 G HN -0.238 7.861 8.290 -0.317 0.000 0.535 200 A N 1.365 124.230 122.820 0.075 0.000 1.969 200 A HA -0.173 nan 4.320 nan 0.000 0.218 200 A C 1.789 179.427 177.584 0.089 0.000 1.169 200 A CA 2.644 54.734 52.037 0.089 0.000 0.635 200 A CB -0.731 18.303 19.000 0.056 0.000 0.810 200 A HN -0.476 7.677 8.150 0.006 0.000 0.445 201 A N -1.762 121.105 122.820 0.079 0.000 1.969 201 A HA -0.196 nan 4.320 nan 0.000 0.218 201 A C 1.896 179.537 177.584 0.094 0.000 1.169 201 A CA 2.858 54.930 52.037 0.059 0.000 0.635 201 A CB -0.726 18.334 19.000 0.100 0.000 0.810 201 A HN -0.259 7.911 8.150 0.055 0.013 0.445 202 L N -2.303 119.063 121.223 0.238 0.000 2.131 202 L HA -0.156 nan 4.340 nan 0.000 0.206 202 L C 2.044 179.047 176.870 0.222 0.000 1.087 202 L CA 2.207 57.242 54.840 0.326 0.000 0.767 202 L CB -0.569 41.726 42.059 0.393 0.000 0.917 202 L HN -0.820 7.421 8.230 0.244 0.136 0.441 203 A N -0.360 122.564 122.820 0.174 0.000 1.972 203 A HA -0.269 nan 4.320 nan 0.000 0.219 203 A C 2.532 180.180 177.584 0.107 0.000 1.169 203 A CA 2.860 54.986 52.037 0.148 0.000 0.635 203 A CB -0.812 18.276 19.000 0.147 0.000 0.810 203 A HN -0.255 7.909 8.150 0.179 0.093 0.446 204 L N -2.711 118.520 121.223 0.014 0.000 2.131 204 L HA -0.370 nan 4.340 nan 0.000 0.210 204 L C 1.358 178.160 176.870 -0.113 0.000 1.092 204 L CA 2.657 57.472 54.840 -0.042 0.000 0.759 204 L CB -0.170 41.763 42.059 -0.210 0.000 0.903 204 L HN -0.552 7.659 8.230 -0.006 0.016 0.435 205 F N -5.171 114.783 119.950 0.006 0.000 2.710 205 F HA -0.129 nan 4.527 nan 0.000 0.298 205 F C 0.396 176.207 175.800 0.019 0.000 1.137 205 F CA 0.563 58.513 58.000 -0.084 0.000 1.444 205 F CB -0.280 38.581 39.000 -0.232 0.000 1.111 205 F HN -0.779 7.304 8.300 -0.175 0.112 0.580 206 Q N -0.402 119.514 119.800 0.193 0.000 2.503 206 Q HA 0.051 nan 4.340 nan 0.000 0.227 206 Q C 0.234 176.319 176.000 0.142 0.000 1.109 206 Q CA -0.558 55.338 55.803 0.154 0.000 0.922 206 Q CB -0.821 27.999 28.738 0.137 0.000 1.249 206 Q HN -0.746 7.436 8.270 0.164 0.186 0.530 207 G N 5.741 114.626 108.800 0.141 0.000 2.615 207 G HA2 -0.431 nan 3.960 nan 0.000 0.218 207 G HA3 -0.431 nan 3.960 nan 0.000 0.218 207 G C -1.210 173.777 174.900 0.144 0.000 1.339 207 G CA -0.865 44.311 45.100 0.128 0.000 0.884 207 G HN -0.689 7.692 8.290 0.152 0.000 0.559 208 D N 1.012 121.485 120.400 0.121 0.000 4.047 208 D HA -0.489 nan 4.640 nan 0.000 0.199 208 D C 1.426 177.807 176.300 0.135 0.000 1.319 208 D CA 3.410 57.474 54.000 0.107 0.000 0.865 208 D CB 0.292 41.152 40.800 0.100 0.000 0.911 208 D HN 0.274 8.710 8.370 0.110 0.000 0.579 209 N N -0.458 118.357 118.700 0.191 0.000 2.027 209 N HA -0.449 nan 4.740 nan 0.000 0.200 209 N C 1.965 177.594 175.510 0.199 0.000 1.042 209 N CA 3.167 56.387 53.050 0.284 0.000 0.871 209 N CB -0.400 38.278 38.487 0.318 0.000 1.063 209 N HN 0.032 8.494 8.380 0.180 0.026 0.438 210 W N 0.158 121.418 121.300 -0.067 0.000 2.342 210 W HA -0.416 nan 4.660 nan 0.000 0.297 210 W C 1.625 178.074 176.519 -0.117 0.000 1.213 210 W CA 3.044 60.296 57.345 -0.154 0.000 1.251 210 W CB 0.267 29.704 29.460 -0.037 0.000 1.136 210 W HN -0.041 8.344 8.180 0.342 0.000 0.526 211 Q N -3.245 116.587 119.800 0.054 0.000 2.119 211 Q HA -0.327 nan 4.340 nan 0.000 0.201 211 Q C 2.365 178.306 176.000 -0.099 0.000 0.972 211 Q CA 3.024 58.805 55.803 -0.036 0.000 0.847 211 Q CB -0.636 28.124 28.738 0.036 0.000 0.903 211 Q HN -0.489 7.873 8.270 0.173 0.012 0.433 212 A N 0.597 123.396 122.820 -0.035 0.000 1.933 212 A HA -0.310 nan 4.320 nan 0.000 0.218 212 A C 1.914 179.481 177.584 -0.028 0.000 1.175 212 A CA 3.108 55.161 52.037 0.027 0.000 0.628 212 A CB -0.814 18.291 19.000 0.175 0.000 0.814 212 A HN 0.409 8.490 8.150 0.026 0.086 0.444 213 R N -1.602 118.664 120.500 -0.389 0.000 2.075 213 R HA -0.330 nan 4.340 nan 0.000 0.232 213 R C 1.837 177.832 176.300 -0.509 0.000 1.126 213 R CA 3.353 59.002 56.100 -0.752 0.000 0.963 213 R CB -0.004 29.370 30.300 -1.543 0.000 0.858 213 R HN -0.144 7.856 8.270 -0.451 0.000 0.435 214 E N -1.325 118.570 120.200 -0.509 0.000 2.077 214 E HA -0.249 nan 4.350 nan 0.000 0.193 214 E C 2.356 178.831 176.600 -0.208 0.000 0.989 214 E CA 2.860 59.045 56.400 -0.358 0.000 0.800 214 E CB -0.551 28.966 29.700 -0.304 0.000 0.746 214 E HN -0.331 7.685 8.360 -0.573 0.000 0.452 215 T N 3.093 117.553 114.554 -0.156 0.000 2.746 215 T HA -0.282 nan 4.350 nan 0.000 0.267 215 T C 2.307 176.953 174.700 -0.089 0.000 1.039 215 T CA 4.758 66.798 62.100 -0.100 0.000 1.142 215 T CB -0.574 68.253 68.868 -0.069 0.000 0.866 215 T HN -0.021 8.118 8.240 -0.168 0.000 0.444 216 L N 1.083 122.262 121.223 -0.075 0.000 2.017 216 L HA -0.363 nan 4.340 nan 0.000 0.208 216 L C 1.471 178.289 176.870 -0.086 0.000 1.073 216 L CA 3.423 58.239 54.840 -0.040 0.000 0.745 216 L CB -0.250 41.841 42.059 0.054 0.000 0.894 216 L HN -0.291 7.801 8.230 -0.082 0.089 0.432 217 C N -0.991 118.229 119.300 -0.134 0.000 2.429 217 C HA -0.441 nan 4.460 nan 0.000 0.277 217 C C 2.381 177.300 174.990 -0.118 0.000 1.262 217 C CA 4.451 63.383 59.018 -0.143 0.000 1.733 217 C CB -2.075 25.544 27.740 -0.200 0.000 2.010 217 C HN 0.574 8.519 8.230 -0.175 0.181 0.483 218 Q N -0.287 119.447 119.800 -0.110 0.000 2.079 218 Q HA -0.300 nan 4.340 nan 0.000 0.200 218 Q C 2.055 178.013 176.000 -0.070 0.000 0.974 218 Q CA 2.678 58.431 55.803 -0.084 0.000 0.840 218 Q CB -0.577 28.113 28.738 -0.080 0.000 0.898 218 Q HN 0.417 8.416 8.270 -0.123 0.197 0.430 219 A N -0.391 122.379 122.820 -0.083 0.000 1.933 219 A HA -0.212 nan 4.320 nan 0.000 0.218 219 A C 2.201 179.715 177.584 -0.117 0.000 1.175 219 A CA 2.828 54.816 52.037 -0.081 0.000 0.628 219 A CB -0.749 18.195 19.000 -0.094 0.000 0.814 219 A HN 0.029 7.935 8.150 -0.090 0.190 0.444 220 L N -1.676 119.451 121.223 -0.160 0.000 2.093 220 L HA -0.361 nan 4.340 nan 0.000 0.208 220 L C 1.830 178.569 176.870 -0.218 0.000 1.085 220 L CA 2.541 57.230 54.840 -0.252 0.000 0.755 220 L CB -0.225 41.719 42.059 -0.192 0.000 0.904 220 L HN 0.206 8.271 8.230 -0.131 0.085 0.435 221 A N -1.857 120.883 122.820 -0.133 0.000 2.084 221 A HA -0.286 nan 4.320 nan 0.000 0.221 221 A C 0.555 178.078 177.584 -0.102 0.000 1.161 221 A CA 2.868 54.838 52.037 -0.111 0.000 0.653 221 A CB -0.737 18.223 19.000 -0.067 0.000 0.802 221 A HN -0.143 7.939 8.150 -0.114 0.000 0.457 222 Y N -2.265 117.928 120.300 -0.178 0.000 2.396 222 Y HA 0.004 nan 4.550 nan 0.000 0.292 222 Y C 1.630 177.414 175.900 -0.193 0.000 1.128 222 Y CA 2.127 60.136 58.100 -0.152 0.000 1.194 222 Y CB 1.526 39.908 38.460 -0.129 0.000 1.124 222 Y HN -0.805 7.302 8.280 -0.011 0.167 0.543 223 S N 0.933 116.403 115.700 -0.383 0.000 2.382 223 S HA -0.375 nan 4.470 nan 0.000 0.228 223 S C 2.367 176.660 174.600 -0.512 0.000 1.027 223 S CA 4.160 61.996 58.200 -0.606 0.000 0.991 223 S CB -0.200 62.387 63.200 -1.021 0.000 0.823 223 S HN -0.365 7.811 8.310 -0.224 0.000 0.469 224 V N 1.208 120.894 119.914 -0.381 0.000 2.233 224 V HA -0.152 nan 4.120 nan 0.000 0.247 224 V C -0.097 175.955 176.094 -0.069 0.000 1.050 224 V CA 5.561 67.808 62.300 -0.088 0.000 1.010 224 V CB -2.539 29.189 31.823 -0.159 0.000 0.637 224 V HN -0.025 7.913 8.190 -0.419 0.000 0.444 225 P HA -0.091 nan 4.420 nan 0.000 0.222 225 P C 0.082 177.331 177.300 -0.086 0.000 1.153 225 P CA 2.107 65.159 63.100 -0.080 0.000 0.798 225 P CB -0.122 31.504 31.700 -0.124 0.000 0.796 226 S N -2.682 112.861 115.700 -0.261 0.000 2.486 226 S HA -0.060 nan 4.470 nan 0.000 0.220 226 S C 1.669 176.234 174.600 -0.059 0.000 1.011 226 S CA 0.441 58.490 58.200 -0.252 0.000 0.921 226 S CB 1.294 64.114 63.200 -0.633 0.000 0.785 226 S HN -0.314 7.746 8.310 -0.416 0.000 0.517 227 G N 2.585 111.417 108.800 0.053 0.000 2.179 227 G HA2 -0.446 nan 3.960 nan 0.000 0.260 227 G HA3 -0.446 nan 3.960 nan 0.000 0.260 227 G C -1.303 173.800 174.900 0.338 0.000 0.977 227 G CA 0.128 45.390 45.100 0.270 0.000 0.641 227 G HN 0.259 8.451 8.290 -0.000 0.098 0.533 228 D N 1.137 121.613 120.400 0.128 0.000 2.453 228 D HA 0.156 nan 4.640 nan 0.000 0.223 228 D C -0.370 175.993 176.300 0.105 0.000 1.183 228 D CA -2.014 52.093 54.000 0.177 0.000 0.933 228 D CB -0.877 40.039 40.800 0.193 0.000 1.038 228 D HN -0.465 7.802 8.370 -0.062 0.066 0.513 229 W N 5.208 126.575 121.300 0.112 0.000 2.812 229 W HA -0.085 nan 4.660 nan 0.000 0.263 229 W C 1.763 178.360 176.519 0.129 0.000 1.284 229 W CA 1.936 59.344 57.345 0.105 0.000 1.430 229 W CB 0.314 29.826 29.460 0.087 0.000 1.088 229 W HN 0.257 8.987 8.180 0.580 -0.202 0.623 230 Y N 2.757 123.181 120.300 0.206 0.000 2.403 230 Y HA -0.486 nan 4.550 nan 0.000 0.291 230 Y C 0.994 176.943 175.900 0.083 0.000 1.143 230 Y CA 2.615 60.793 58.100 0.130 0.000 1.257 230 Y CB -0.142 38.379 38.460 0.102 0.000 0.984 230 Y HN -0.211 8.623 8.280 0.444 -0.288 0.550 231 S N 0.353 116.059 115.700 0.011 0.000 2.500 231 S HA -0.281 nan 4.470 nan 0.000 0.239 231 S C 1.653 176.165 174.600 -0.147 0.000 0.989 231 S CA 2.918 61.066 58.200 -0.088 0.000 0.951 231 S CB -0.663 62.561 63.200 0.040 0.000 0.759 231 S HN -0.068 8.570 8.310 0.144 -0.241 0.523 232 L N 0.370 121.519 121.223 -0.125 0.000 2.478 232 L HA -0.144 nan 4.340 nan 0.000 0.223 232 L C 1.124 177.926 176.870 -0.114 0.000 1.140 232 L CA 1.057 55.833 54.840 -0.107 0.000 0.842 232 L CB -0.447 41.574 42.059 -0.063 0.000 0.953 232 L HN -0.404 7.612 8.230 -0.076 0.168 0.452 233 L N -0.167 120.934 121.223 -0.203 0.000 2.021 233 L HA -0.489 nan 4.340 nan 0.000 0.215 233 L C 1.008 177.809 176.870 -0.114 0.000 1.074 233 L CA 3.317 58.044 54.840 -0.189 0.000 0.760 233 L CB -0.576 41.261 42.059 -0.370 0.000 0.889 233 L HN -0.253 7.740 8.230 -0.300 0.057 0.433 234 A N -1.516 121.231 122.820 -0.121 0.000 1.865 234 A HA -0.358 nan 4.320 nan 0.000 0.217 234 A C 0.997 178.556 177.584 -0.043 0.000 1.191 234 A CA 2.912 54.907 52.037 -0.071 0.000 0.623 234 A CB -1.165 17.788 19.000 -0.078 0.000 0.826 234 A HN -0.042 8.011 8.150 -0.162 0.000 0.444 235 A N -4.306 118.483 122.820 -0.051 0.000 2.070 235 A HA -0.123 nan 4.320 nan 0.000 0.220 235 A C 1.429 179.004 177.584 -0.015 0.000 1.159 235 A CA 2.127 54.145 52.037 -0.031 0.000 0.656 235 A CB -0.155 18.826 19.000 -0.031 0.000 0.800 235 A HN -0.155 7.954 8.150 -0.070 0.000 0.453 236 L N -5.020 116.194 121.223 -0.014 0.000 2.500 236 L HA 0.005 nan 4.340 nan 0.000 0.219 236 L C 0.081 176.961 176.870 0.018 0.000 1.057 236 L CA -0.008 54.830 54.840 -0.005 0.000 0.854 236 L CB 0.799 42.860 42.059 0.003 0.000 1.078 236 L HN -0.623 7.424 8.230 -0.029 0.166 0.480 237 N N -0.461 118.252 118.700 0.021 0.000 2.421 237 N HA -0.153 nan 4.740 nan 0.000 0.260 237 N C -1.442 174.136 175.510 0.113 0.000 1.173 237 N CA 0.975 54.048 53.050 0.040 0.000 0.960 237 N CB -0.475 38.018 38.487 0.010 0.000 1.273 237 N HN -0.303 7.978 8.380 -0.001 0.098 0.497 238 H N 5.664 124.717 119.070 -0.029 0.000 2.969 238 H HA -0.002 nan 4.556 nan 0.000 0.304 238 H C -0.580 174.729 175.328 -0.032 0.000 1.400 238 H CA 0.019 56.053 56.048 -0.025 0.000 1.182 238 H CB 2.118 31.868 29.762 -0.021 0.000 1.865 238 H HN -0.534 7.806 8.280 0.099 0.000 0.512 239 E N 1.215 121.127 120.200 -0.481 0.000 2.070 239 E HA -0.306 nan 4.350 nan 0.000 0.197 239 E C 1.376 177.964 176.600 -0.020 0.000 1.004 239 E CA 2.686 58.933 56.400 -0.256 0.000 0.805 239 E CB 0.036 29.518 29.700 -0.363 0.000 0.744 239 E HN 0.369 8.092 8.360 -1.061 0.000 0.451 240 Q N -0.399 119.541 119.800 0.233 0.000 2.294 240 Q HA 0.034 nan 4.340 nan 0.000 0.256 240 Q C -0.075 175.920 176.000 -0.009 0.000 0.907 240 Q CA -1.233 54.645 55.803 0.125 0.000 0.954 240 Q CB -1.298 27.528 28.738 0.146 0.000 1.102 240 Q HN -0.321 8.290 8.270 0.569 0.000 0.429 241 A N 0.781 123.603 122.820 0.003 0.000 1.898 241 A HA -0.113 nan 4.320 nan 0.000 0.216 241 A C -0.956 176.556 177.584 -0.121 0.000 1.181 241 A CA 5.049 57.052 52.037 -0.057 0.000 0.620 241 A CB -2.298 16.693 19.000 -0.015 0.000 0.819 241 A HN -0.366 7.710 8.150 0.024 0.088 0.442 242 P HA -0.253 nan 4.420 nan 0.000 0.216 242 P C 0.865 178.062 177.300 -0.171 0.000 1.150 242 P CA 3.485 66.523 63.100 -0.102 0.000 0.843 242 P CB -0.604 31.050 31.700 -0.076 0.000 0.787 243 A N -3.429 119.220 122.820 -0.285 0.000 1.898 243 A HA -0.114 nan 4.320 nan 0.000 0.214 243 A C 2.234 179.231 177.584 -0.977 0.000 1.183 243 A CA 2.719 54.462 52.037 -0.490 0.000 0.622 243 A CB -0.457 18.259 19.000 -0.472 0.000 0.824 243 A HN -0.644 7.337 8.150 -0.250 0.020 0.444 244 R N -1.306 118.637 120.500 -0.929 0.000 2.120 244 R HA -0.313 nan 4.340 nan 0.000 0.234 244 R C 2.619 178.737 176.300 -0.303 0.000 1.123 244 R CA 3.299 58.887 56.100 -0.854 0.000 0.975 244 R CB -0.193 29.850 30.300 -0.428 0.000 0.866 244 R HN -0.483 7.338 8.270 -0.638 0.066 0.446 245 L N -2.097 119.014 121.223 -0.186 0.000 2.156 245 L HA -0.273 nan 4.340 nan 0.000 0.208 245 L C 1.533 178.414 176.870 0.018 0.000 1.095 245 L CA 2.825 57.646 54.840 -0.032 0.000 0.770 245 L CB -0.559 41.496 42.059 -0.007 0.000 0.914 245 L HN 0.527 8.611 8.230 -0.222 0.013 0.439 246 H N 1.106 120.101 119.070 -0.125 0.000 2.321 246 H HA -0.313 nan 4.556 nan 0.000 0.300 246 H C 1.717 177.124 175.328 0.131 0.000 1.087 246 H CA 4.563 60.596 56.048 -0.025 0.000 1.319 246 H CB -0.032 29.689 29.762 -0.068 0.000 1.379 246 H HN -0.513 7.605 8.280 -0.073 0.118 0.501 247 W N -2.598 118.669 121.300 -0.055 0.000 2.317 247 W HA -0.363 nan 4.660 nan 0.000 0.318 247 W C 2.393 178.838 176.519 -0.123 0.000 1.227 247 W CA 2.440 59.711 57.345 -0.124 0.000 1.269 247 W CB -1.054 28.372 29.460 -0.057 0.000 1.155 247 W HN -0.091 8.026 8.180 -0.105 0.000 0.484 248 L N -0.307 121.032 121.223 0.193 0.000 1.990 248 L HA -0.487 nan 4.340 nan 0.000 0.213 248 L C 1.788 178.704 176.870 0.077 0.000 1.072 248 L CA 3.199 58.115 54.840 0.127 0.000 0.755 248 L CB -0.824 41.317 42.059 0.136 0.000 0.889 248 L HN -0.555 7.803 8.230 0.214 0.000 0.432 249 A N -2.735 120.108 122.820 0.039 0.000 1.948 249 A HA -0.452 nan 4.320 nan 0.000 0.220 249 A C 2.215 179.785 177.584 -0.024 0.000 1.177 249 A CA 3.403 55.450 52.037 0.017 0.000 0.636 249 A CB -1.025 17.987 19.000 0.019 0.000 0.815 249 A HN 0.286 8.462 8.150 0.043 0.000 0.449 250 T N 1.753 116.246 114.554 -0.102 0.000 2.788 250 T HA -0.274 nan 4.350 nan 0.000 0.268 250 T C 2.194 176.879 174.700 -0.025 0.000 1.044 250 T CA 5.033 67.070 62.100 -0.106 0.000 1.139 250 T CB -0.487 68.248 68.868 -0.222 0.000 0.867 250 T HN -0.039 8.014 8.240 -0.150 0.097 0.454 251 L N 0.678 121.902 121.223 0.002 0.000 2.072 251 L HA -0.317 nan 4.340 nan 0.000 0.205 251 L C 1.674 178.565 176.870 0.035 0.000 1.079 251 L CA 3.574 58.425 54.840 0.017 0.000 0.752 251 L CB -0.282 41.792 42.059 0.025 0.000 0.906 251 L HN -0.280 7.857 8.230 0.011 0.100 0.436 252 L N -1.313 119.942 121.223 0.053 0.000 2.012 252 L HA -0.487 nan 4.340 nan 0.000 0.210 252 L C 2.387 179.276 176.870 0.032 0.000 1.073 252 L CA 3.300 58.174 54.840 0.057 0.000 0.748 252 L CB -0.350 41.747 42.059 0.063 0.000 0.891 252 L HN -0.177 8.089 8.230 0.059 0.000 0.431 253 M N -1.289 118.323 119.600 0.020 0.000 2.229 253 M HA -0.344 nan 4.480 nan 0.000 0.264 253 M C 1.209 177.518 176.300 0.015 0.000 1.063 253 M CA 2.986 58.294 55.300 0.014 0.000 1.114 253 M CB -0.213 32.393 32.600 0.011 0.000 1.387 253 M HN 0.092 8.385 8.290 0.018 0.008 0.420 254 D N -1.249 119.160 120.400 0.015 0.000 2.149 254 D HA -0.102 nan 4.640 nan 0.000 0.201 254 D C 2.343 178.655 176.300 0.019 0.000 0.972 254 D CA 2.649 56.658 54.000 0.016 0.000 0.835 254 D CB -0.019 40.789 40.800 0.014 0.000 0.966 254 D HN -0.366 7.910 8.370 0.013 0.103 0.476 255 A N 0.407 123.242 122.820 0.025 0.000 1.969 255 A HA -0.117 nan 4.320 nan 0.000 0.218 255 A C 1.711 179.309 177.584 0.024 0.000 1.169 255 A CA 2.657 54.712 52.037 0.030 0.000 0.635 255 A CB -0.375 18.652 19.000 0.045 0.000 0.810 255 A HN 0.127 8.110 8.150 0.027 0.184 0.445 256 L N -4.498 116.736 121.223 0.018 0.000 2.552 256 L HA -0.169 nan 4.340 nan 0.000 0.227 256 L C 0.877 177.752 176.870 0.009 0.000 1.146 256 L CA 1.046 55.892 54.840 0.010 0.000 0.858 256 L CB 0.074 42.136 42.059 0.004 0.000 0.969 256 L HN -0.295 7.837 8.230 0.019 0.109 0.451 257 K N -1.074 119.333 120.400 0.012 0.000 2.827 257 K HA -0.009 nan 4.320 nan 0.000 0.222 257 K C -0.872 175.734 176.600 0.011 0.000 1.114 257 K CA -0.667 55.627 56.287 0.010 0.000 1.206 257 K CB -0.443 32.064 32.500 0.012 0.000 1.035 257 K HN -0.702 7.369 8.250 0.015 0.188 0.464 266 T N 3.798 118.371 114.554 0.032 0.000 2.939 266 T HA 0.083 nan 4.350 nan 0.000 0.254 266 T C 0.985 175.711 174.700 0.044 0.000 1.041 266 T CA 1.533 63.659 62.100 0.044 0.000 1.142 266 T CB 0.525 69.425 68.868 0.053 0.000 0.874 266 T HN 0.375 9.062 8.240 0.025 -0.432 0.452 267 N N 4.203 122.918 118.700 0.025 0.000 3.303 267 N HA 0.233 nan 4.740 nan 0.000 0.304 267 N C 1.192 176.719 175.510 0.028 0.000 1.302 267 N CA 0.116 53.176 53.050 0.017 0.000 1.213 267 N CB -0.822 37.654 38.487 -0.018 0.000 1.481 267 N HN 0.149 8.927 8.380 0.018 -0.387 0.546 268 V N -3.457 116.486 119.914 0.048 0.000 3.078 268 V HA -0.186 nan 4.120 nan 0.000 0.265 268 V C -0.042 176.082 176.094 0.051 0.000 1.122 268 V CA 2.606 64.934 62.300 0.046 0.000 1.141 268 V CB -1.058 30.794 31.823 0.050 0.000 0.735 268 V HN -0.093 8.068 8.190 0.059 0.064 0.498 269 D N -1.743 118.698 120.400 0.068 0.000 2.348 269 D HA -0.081 nan 4.640 nan 0.000 0.211 269 D C 0.976 177.297 176.300 0.036 0.000 0.998 269 D CA 0.541 54.587 54.000 0.076 0.000 0.873 269 D CB 0.173 41.067 40.800 0.156 0.000 0.925 269 D HN 0.124 8.484 8.370 0.076 0.056 0.524 270 V N -5.607 114.312 119.914 0.008 0.000 2.562 270 V HA 0.578 nan 4.120 nan 0.000 0.274 270 V C -1.430 174.657 176.094 -0.011 0.000 1.075 270 V CA -3.188 59.102 62.300 -0.017 0.000 1.204 270 V CB -1.183 30.604 31.823 -0.059 0.000 1.478 270 V HN -0.694 7.460 8.190 0.012 0.044 0.622 271 P HA -0.141 nan 4.420 nan 0.000 0.222 271 P C 1.406 178.707 177.300 0.002 0.000 1.147 271 P CA 2.408 65.512 63.100 0.006 0.000 0.790 271 P CB -0.183 31.524 31.700 0.012 0.000 0.780 272 G N -1.119 107.679 108.800 -0.004 0.000 2.433 272 G HA2 -0.255 nan 3.960 nan 0.000 0.216 272 G HA3 -0.255 nan 3.960 nan 0.000 0.216 272 G C 0.764 175.656 174.900 -0.014 0.000 1.186 272 G CA 1.678 46.774 45.100 -0.006 0.000 0.779 272 G HN 0.250 8.490 8.290 -0.006 0.046 0.543 273 L N 1.237 122.443 121.223 -0.027 0.000 2.141 273 L HA -0.139 nan 4.340 nan 0.000 0.209 273 L C 2.017 178.876 176.870 -0.018 0.000 1.094 273 L CA 2.598 57.415 54.840 -0.038 0.000 0.763 273 L CB -0.003 42.022 42.059 -0.056 0.000 0.908 273 L HN -0.619 7.593 8.230 -0.030 0.000 0.437 274 V N -0.445 119.465 119.914 -0.006 0.000 2.343 274 V HA -0.523 nan 4.120 nan 0.000 0.247 274 V C 1.602 177.709 176.094 0.021 0.000 1.051 274 V CA 4.478 66.784 62.300 0.010 0.000 1.036 274 V CB -1.469 30.360 31.823 0.010 0.000 0.654 274 V HN -0.510 7.658 8.190 -0.010 0.017 0.451 275 A N -0.908 121.923 122.820 0.019 0.000 1.858 275 A HA -0.401 nan 4.320 nan 0.000 0.216 275 A C 1.679 179.294 177.584 0.053 0.000 1.190 275 A CA 3.584 55.641 52.037 0.034 0.000 0.617 275 A CB -0.792 18.225 19.000 0.029 0.000 0.827 275 A HN 0.132 8.289 8.150 0.012 0.000 0.443 276 E N -0.986 119.230 120.200 0.028 0.000 2.130 276 E HA -0.348 nan 4.350 nan 0.000 0.196 276 E C 2.449 179.059 176.600 0.016 0.000 0.998 276 E CA 2.981 59.381 56.400 0.000 0.000 0.806 276 E CB -0.166 29.468 29.700 -0.111 0.000 0.738 276 E HN -0.402 7.963 8.360 0.007 0.000 0.459 277 L N -1.233 120.008 121.223 0.030 0.000 2.027 277 L HA -0.307 nan 4.340 nan 0.000 0.206 277 L C 1.997 178.927 176.870 0.100 0.000 1.074 277 L CA 2.803 57.689 54.840 0.076 0.000 0.745 277 L CB -0.133 41.974 42.059 0.080 0.000 0.898 277 L HN -0.127 8.017 8.230 0.017 0.096 0.433 278 A N -2.657 120.209 122.820 0.078 0.000 2.067 278 A HA -0.265 nan 4.320 nan 0.000 0.219 278 A C 1.196 178.829 177.584 0.082 0.000 1.158 278 A CA 2.560 54.637 52.037 0.067 0.000 0.661 278 A CB -0.815 18.213 19.000 0.046 0.000 0.801 278 A HN 0.074 8.262 8.150 0.063 0.000 0.452 279 N N -3.011 115.764 118.700 0.125 0.000 2.251 279 N HA -0.201 nan 4.740 nan 0.000 0.181 279 N C 1.644 177.243 175.510 0.149 0.000 1.019 279 N CA 1.812 54.943 53.050 0.135 0.000 0.862 279 N CB 0.895 39.489 38.487 0.177 0.000 0.992 279 N HN 0.042 8.376 8.380 0.136 0.128 0.429 280 H N -2.776 116.315 119.070 0.034 0.000 2.544 280 H HA -0.034 nan 4.556 nan 0.000 0.269 280 H C -0.200 175.155 175.328 0.046 0.000 0.970 280 H CA 1.351 57.424 56.048 0.041 0.000 1.219 280 H CB 1.644 31.439 29.762 0.055 0.000 1.421 280 H HN -0.440 8.075 8.280 0.392 0.000 0.555 281 L N -0.303 121.018 121.223 0.164 0.000 2.322 281 L HA 0.230 nan 4.340 nan 0.000 0.281 281 L C -0.818 176.077 176.870 0.042 0.000 1.014 281 L CA -1.013 53.881 54.840 0.089 0.000 0.815 281 L CB 1.995 44.104 42.059 0.084 0.000 1.247 281 L HN -0.387 7.941 8.230 0.163 0.000 0.421 282 S N 4.196 119.903 115.700 0.012 0.000 2.585 282 S HA 0.220 nan 4.470 nan 0.000 0.273 282 S C -0.621 173.970 174.600 -0.017 0.000 1.339 282 S CA -2.238 55.959 58.200 -0.005 0.000 1.028 282 S CB 0.600 63.790 63.200 -0.018 0.000 0.906 282 S HN 0.186 8.500 8.310 0.007 0.000 0.528 283 P HA -0.141 nan 4.420 nan 0.000 0.218 283 P C 1.282 178.554 177.300 -0.045 0.000 1.148 283 P CA 2.707 65.793 63.100 -0.024 0.000 0.822 283 P CB -0.272 31.417 31.700 -0.019 0.000 0.784 284 S N -3.304 112.364 115.700 -0.053 0.000 2.383 284 S HA -0.246 nan 4.470 nan 0.000 0.227 284 S C 2.067 176.596 174.600 -0.118 0.000 1.026 284 S CA 3.060 61.213 58.200 -0.078 0.000 0.981 284 S CB -0.462 62.696 63.200 -0.070 0.000 0.818 284 S HN 0.167 8.437 8.310 -0.043 0.014 0.472 285 R N 1.968 122.405 120.500 -0.104 0.000 2.100 285 R HA -0.128 nan 4.340 nan 0.000 0.220 285 R C 2.324 178.542 176.300 -0.138 0.000 1.091 285 R CA 2.760 58.776 56.100 -0.140 0.000 0.986 285 R CB -0.025 30.216 30.300 -0.098 0.000 0.888 285 R HN -0.748 7.376 8.270 -0.073 0.102 0.444 286 L N -0.229 120.945 121.223 -0.081 0.000 2.042 286 L HA -0.460 nan 4.340 nan 0.000 0.210 286 L C 2.056 178.884 176.870 -0.070 0.000 1.076 286 L CA 3.315 58.123 54.840 -0.054 0.000 0.749 286 L CB -0.504 41.547 42.059 -0.014 0.000 0.893 286 L HN 0.345 8.540 8.230 -0.059 0.000 0.432 287 Q N -0.990 118.760 119.800 -0.084 0.000 2.079 287 Q HA -0.328 nan 4.340 nan 0.000 0.200 287 Q C 2.095 178.012 176.000 -0.138 0.000 0.974 287 Q CA 2.976 58.726 55.803 -0.088 0.000 0.840 287 Q CB -0.512 28.178 28.738 -0.080 0.000 0.898 287 Q HN -0.058 8.165 8.270 -0.080 -0.001 0.430 288 A N -0.004 122.675 122.820 -0.235 0.000 1.898 288 A HA -0.220 nan 4.320 nan 0.000 0.216 288 A C 2.306 179.679 177.584 -0.353 0.000 1.181 288 A CA 2.999 54.788 52.037 -0.413 0.000 0.620 288 A CB -0.804 17.752 19.000 -0.740 0.000 0.819 288 A HN -0.506 7.508 8.150 -0.227 0.000 0.442 289 I N -1.082 119.349 120.570 -0.232 0.000 2.252 289 I HA -0.476 nan 4.170 nan 0.000 0.245 289 I C 1.530 177.645 176.117 -0.003 0.000 1.102 289 I CA 3.916 65.181 61.300 -0.059 0.000 1.385 289 I CB 0.023 37.951 38.000 -0.119 0.000 1.064 289 I HN 0.207 8.273 8.210 -0.238 0.000 0.414 290 L N -0.279 120.930 121.223 -0.023 0.000 2.046 290 L HA -0.296 nan 4.340 nan 0.000 0.208 290 L C 1.918 178.801 176.870 0.023 0.000 1.077 290 L CA 3.258 58.105 54.840 0.012 0.000 0.747 290 L CB -0.613 41.446 42.059 0.001 0.000 0.896 290 L HN 0.350 8.375 8.230 -0.057 0.171 0.432 291 G N -2.594 106.200 108.800 -0.009 0.000 2.418 291 G HA2 -0.457 nan 3.960 nan 0.000 0.217 291 G HA3 -0.457 nan 3.960 nan 0.000 0.217 291 G C 0.922 175.859 174.900 0.061 0.000 1.158 291 G CA 2.246 47.351 45.100 0.009 0.000 0.771 291 G HN 0.166 8.426 8.290 -0.050 0.000 0.545 292 D N 1.827 122.270 120.400 0.071 0.000 2.097 292 D HA -0.148 nan 4.640 nan 0.000 0.197 292 D C 2.382 178.778 176.300 0.160 0.000 0.984 292 D CA 2.874 56.961 54.000 0.146 0.000 0.826 292 D CB 0.070 41.001 40.800 0.217 0.000 0.973 292 D HN -0.582 7.808 8.370 0.033 0.000 0.460 293 V N 0.295 120.285 119.914 0.127 0.000 2.282 293 V HA -0.463 nan 4.120 nan 0.000 0.249 293 V C 2.305 178.458 176.094 0.098 0.000 1.057 293 V CA 4.457 66.825 62.300 0.113 0.000 1.032 293 V CB -0.622 31.265 31.823 0.106 0.000 0.645 293 V HN -0.008 8.249 8.190 0.113 0.000 0.447 294 C N -1.390 117.969 119.300 0.100 0.000 2.440 294 C HA -0.342 nan 4.460 nan 0.000 0.278 294 C C 1.778 176.828 174.990 0.099 0.000 1.295 294 C CA 4.523 63.595 59.018 0.091 0.000 1.738 294 C CB -2.200 25.591 27.740 0.085 0.000 1.987 294 C HN -0.144 8.143 8.230 0.095 0.000 0.492 295 H N 1.185 120.277 119.070 0.035 0.000 2.389 295 H HA -0.237 nan 4.556 nan 0.000 0.299 295 H C 2.178 177.524 175.328 0.031 0.000 1.081 295 H CA 4.067 60.133 56.048 0.031 0.000 1.345 295 H CB 0.348 30.129 29.762 0.031 0.000 1.393 295 H HN -0.511 7.816 8.280 0.218 0.083 0.520 296 I N -0.214 120.363 120.570 0.011 0.000 2.500 296 I HA -0.259 nan 4.170 nan 0.000 0.252 296 I C 1.435 177.524 176.117 -0.047 0.000 1.142 296 I CA 0.617 61.898 61.300 -0.032 0.000 1.451 296 I CB -0.764 37.268 38.000 0.054 0.000 1.093 296 I HN 0.067 8.348 8.210 0.119 0.000 0.430 297 R N 0.632 121.124 120.500 -0.013 0.000 2.083 297 R HA -0.448 nan 4.340 nan 0.000 0.237 297 R C 2.250 178.523 176.300 -0.044 0.000 1.137 297 R CA 4.030 60.120 56.100 -0.016 0.000 0.951 297 R CB -0.212 30.097 30.300 0.015 0.000 0.851 297 R HN 0.018 8.222 8.270 0.021 0.079 0.434 298 E N -1.933 118.229 120.200 -0.062 0.000 2.077 298 E HA -0.306 nan 4.350 nan 0.000 0.193 298 E C 2.555 179.089 176.600 -0.109 0.000 0.989 298 E CA 2.502 58.855 56.400 -0.078 0.000 0.800 298 E CB -0.846 28.805 29.700 -0.081 0.000 0.746 298 E HN -0.467 7.864 8.360 -0.049 0.000 0.452 299 Q N -0.269 119.426 119.800 -0.175 0.000 2.135 299 Q HA -0.273 nan 4.340 nan 0.000 0.204 299 Q C 2.872 178.823 176.000 -0.081 0.000 0.981 299 Q CA 3.046 58.758 55.803 -0.152 0.000 0.856 299 Q CB 0.003 28.628 28.738 -0.188 0.000 0.902 299 Q HN -0.366 7.698 8.270 -0.237 0.064 0.425 300 L N -2.671 118.513 121.223 -0.065 0.000 2.291 300 L HA -0.219 nan 4.340 nan 0.000 0.214 300 L C 1.879 178.725 176.870 -0.040 0.000 1.120 300 L CA 2.465 57.279 54.840 -0.043 0.000 0.799 300 L CB 0.104 42.142 42.059 -0.035 0.000 0.925 300 L HN -0.017 8.076 8.230 -0.073 0.094 0.446 301 M N -3.199 116.376 119.600 -0.043 0.000 2.534 301 M HA -0.151 nan 4.480 nan 0.000 0.263 301 M C 1.303 177.585 176.300 -0.030 0.000 1.152 301 M CA 2.499 57.779 55.300 -0.035 0.000 1.145 301 M CB 0.520 33.100 32.600 -0.034 0.000 1.333 301 M HN -0.864 7.256 8.290 -0.051 0.140 0.477 302 S N -0.481 115.197 115.700 -0.036 0.000 2.377 302 S HA -0.060 nan 4.470 nan 0.000 0.223 302 S C 0.381 174.967 174.600 -0.024 0.000 1.030 302 S CA 3.046 61.229 58.200 -0.029 0.000 0.970 302 S CB 1.207 64.386 63.200 -0.035 0.000 0.830 302 S HN -0.136 8.146 8.310 -0.047 0.000 0.473 303 V N -0.837 119.061 119.914 -0.027 0.000 3.535 303 V HA 0.123 nan 4.120 nan 0.000 0.439 303 V C -1.598 174.482 176.094 -0.023 0.000 1.462 303 V CA -0.448 61.840 62.300 -0.021 0.000 1.966 303 V CB -0.235 31.578 31.823 -0.017 0.000 1.026 303 V HN -0.781 7.389 8.190 -0.035 0.000 0.579 304 T N 1.777 116.317 114.554 -0.025 0.000 2.461 304 T HA -0.286 nan 4.350 nan 0.000 0.206 304 T C 1.203 175.891 174.700 -0.019 0.000 1.254 304 T CA 0.894 62.980 62.100 -0.024 0.000 3.925 304 T CB -1.272 67.582 68.868 -0.024 0.000 0.561 304 T HN -0.205 8.019 8.240 -0.026 0.000 0.200 305 G N 3.794 112.583 108.800 -0.019 0.000 2.775 305 G HA2 -0.279 nan 3.960 nan 0.000 0.298 305 G HA3 -0.279 nan 3.960 nan 0.000 0.298 305 G C 0.623 175.518 174.900 -0.008 0.000 0.415 305 G CA 0.369 45.462 45.100 -0.011 0.000 1.178 305 G HN -0.364 7.921 8.290 -0.024 -0.010 0.205 306 I N -0.171 120.394 120.570 -0.008 0.000 2.343 306 I HA -0.363 nan 4.170 nan 0.000 0.256 306 I C -0.445 175.669 176.117 -0.005 0.000 1.035 306 I CA 2.523 63.819 61.300 -0.007 0.000 1.358 306 I CB -0.266 37.731 38.000 -0.005 0.000 1.036 306 I HN 0.313 8.518 8.210 -0.008 0.000 0.447 307 N N -2.353 116.347 118.700 -0.001 0.000 2.976 307 N HA 0.087 nan 4.740 nan 0.000 0.255 307 N C 0.258 175.772 175.510 0.007 0.000 1.312 307 N CA -2.319 50.734 53.050 0.004 0.000 0.897 307 N CB -0.075 38.417 38.487 0.008 0.000 1.184 307 N HN -0.331 8.000 8.380 -0.000 0.049 0.497 308 R N 5.085 125.586 120.500 0.002 0.000 2.096 308 R HA -0.363 nan 4.340 nan 0.000 0.235 308 R C 0.972 177.282 176.300 0.016 0.000 1.127 308 R CA 3.128 59.230 56.100 0.004 0.000 0.968 308 R CB -0.279 30.017 30.300 -0.006 0.000 0.861 308 R HN 0.225 8.493 8.270 -0.003 0.000 0.440 309 E N -0.872 119.340 120.200 0.020 0.000 2.160 309 E HA -0.254 nan 4.350 nan 0.000 0.195 309 E C 2.086 178.718 176.600 0.053 0.000 0.991 309 E CA 2.742 59.162 56.400 0.034 0.000 0.810 309 E CB -0.508 29.211 29.700 0.032 0.000 0.742 309 E HN 0.191 8.559 8.360 0.014 0.000 0.466 310 L N -0.707 120.542 121.223 0.044 0.000 2.023 310 L HA -0.277 nan 4.340 nan 0.000 0.205 310 L C 1.463 178.364 176.870 0.052 0.000 1.073 310 L CA 2.701 57.571 54.840 0.049 0.000 0.745 310 L CB -0.180 41.898 42.059 0.032 0.000 0.900 310 L HN -0.661 7.682 8.230 0.032 -0.094 0.435 311 L N -1.188 120.058 121.223 0.039 0.000 1.997 311 L HA -0.507 nan 4.340 nan 0.000 0.216 311 L C 2.462 179.366 176.870 0.057 0.000 1.074 311 L CA 3.595 58.459 54.840 0.040 0.000 0.763 311 L CB -0.278 41.795 42.059 0.023 0.000 0.890 311 L HN -0.887 7.361 8.230 0.030 0.000 0.434 312 I N -2.806 117.798 120.570 0.057 0.000 2.179 312 I HA -0.562 nan 4.170 nan 0.000 0.242 312 I C 1.784 177.967 176.117 0.110 0.000 1.088 312 I CA 4.253 65.596 61.300 0.072 0.000 1.357 312 I CB -0.270 37.760 38.000 0.051 0.000 1.051 312 I HN 0.008 8.245 8.210 0.045 0.000 0.409 313 T N -0.892 113.743 114.554 0.135 0.000 2.759 313 T HA -0.398 nan 4.350 nan 0.000 0.269 313 T C 2.085 176.894 174.700 0.181 0.000 1.042 313 T CA 4.413 66.659 62.100 0.243 0.000 1.140 313 T CB -0.951 68.107 68.868 0.318 0.000 0.864 313 T HN 0.230 8.537 8.240 0.111 0.000 0.455 314 D N 2.881 123.342 120.400 0.102 0.000 2.178 314 D HA -0.134 nan 4.640 nan 0.000 0.202 314 D C 2.036 178.366 176.300 0.049 0.000 0.974 314 D CA 3.144 57.175 54.000 0.052 0.000 0.841 314 D CB -0.683 40.136 40.800 0.032 0.000 0.953 314 D HN 0.077 8.501 8.370 0.091 0.000 0.478 315 L N 0.413 121.685 121.223 0.082 0.000 1.994 315 L HA -0.302 nan 4.340 nan 0.000 0.208 315 L C 1.569 178.501 176.870 0.102 0.000 1.071 315 L CA 3.438 58.333 54.840 0.091 0.000 0.745 315 L CB -0.107 42.018 42.059 0.111 0.000 0.892 315 L HN -0.406 7.775 8.230 0.090 0.103 0.431 316 L N -2.308 119.012 121.223 0.161 0.000 2.131 316 L HA -0.409 nan 4.340 nan 0.000 0.210 316 L C 2.534 179.509 176.870 0.176 0.000 1.092 316 L CA 3.240 58.220 54.840 0.233 0.000 0.759 316 L CB -0.331 41.914 42.059 0.309 0.000 0.903 316 L HN 0.010 8.340 8.230 0.167 0.000 0.435 317 L N -2.743 118.545 121.223 0.107 0.000 2.240 317 L HA -0.310 nan 4.340 nan 0.000 0.211 317 L C 2.413 179.222 176.870 -0.102 0.000 1.106 317 L CA 2.559 57.409 54.840 0.017 0.000 0.793 317 L CB -0.664 41.382 42.059 -0.021 0.000 0.927 317 L HN -0.139 8.069 8.230 0.123 0.096 0.446 318 R N -0.269 120.128 120.500 -0.172 0.000 2.075 318 R HA -0.301 nan 4.340 nan 0.000 0.232 318 R C 2.495 178.317 176.300 -0.796 0.000 1.126 318 R CA 3.579 59.420 56.100 -0.432 0.000 0.963 318 R CB -0.069 30.030 30.300 -0.334 0.000 0.858 318 R HN -0.110 8.023 8.270 -0.088 0.085 0.435 319 I N -0.158 120.164 120.570 -0.415 0.000 2.208 319 I HA -0.548 nan 4.170 nan 0.000 0.245 319 I C 1.796 177.729 176.117 -0.306 0.000 1.097 319 I CA 4.143 65.271 61.300 -0.287 0.000 1.363 319 I CB -0.247 37.653 38.000 -0.167 0.000 1.051 319 I HN 0.020 8.117 8.210 -0.189 0.000 0.413 320 E N -2.492 117.606 120.200 -0.171 0.000 2.150 320 E HA -0.381 nan 4.350 nan 0.000 0.193 320 E C 1.551 178.105 176.600 -0.077 0.000 0.985 320 E CA 2.602 58.958 56.400 -0.073 0.000 0.814 320 E CB -0.421 29.316 29.700 0.062 0.000 0.752 320 E HN -0.581 7.723 8.360 -0.093 0.000 0.466 321 H N -0.284 118.638 119.070 -0.247 0.000 2.387 321 H HA -0.237 nan 4.556 nan 0.000 0.299 321 H C 2.686 177.940 175.328 -0.123 0.000 1.090 321 H CA 3.379 59.302 56.048 -0.208 0.000 1.332 321 H CB 0.627 30.216 29.762 -0.288 0.000 1.386 321 H HN -0.604 7.480 8.280 -0.140 0.112 0.516 322 Y N -1.146 119.121 120.300 -0.056 0.000 2.224 322 Y HA -0.246 nan 4.550 nan 0.000 0.289 322 Y C 2.226 178.029 175.900 -0.162 0.000 1.146 322 Y CA 1.905 59.932 58.100 -0.121 0.000 1.182 322 Y CB -0.932 37.454 38.460 -0.123 0.000 0.983 322 Y HN -0.177 7.753 8.280 -0.405 0.107 0.524 323 L N -3.781 117.434 121.223 -0.015 0.000 2.362 323 L HA -0.242 nan 4.340 nan 0.000 0.219 323 L C 0.575 177.415 176.870 -0.049 0.000 1.134 323 L CA 1.262 56.075 54.840 -0.045 0.000 0.807 323 L CB -0.709 41.317 42.059 -0.055 0.000 0.927 323 L HN -0.693 7.486 8.230 -0.047 0.023 0.447 324 Q N -1.031 118.713 119.800 -0.093 0.000 2.313 324 Q HA 0.231 nan 4.340 nan 0.000 0.266 324 Q C -1.652 174.296 176.000 -0.087 0.000 0.989 324 Q CA -2.485 53.256 55.803 -0.103 0.000 0.890 324 Q CB -0.646 27.987 28.738 -0.175 0.000 1.200 324 Q HN -0.731 7.403 8.270 -0.132 0.057 0.396 325 P HA -0.159 nan 4.420 nan 0.000 0.268 325 P C -0.039 177.230 177.300 -0.052 0.000 1.204 325 P CA 1.000 64.073 63.100 -0.045 0.000 0.768 325 P CB 0.247 31.928 31.700 -0.031 0.000 0.842 326 G N 1.014 109.788 108.800 -0.043 0.000 2.176 326 G HA2 -0.379 nan 3.960 nan 0.000 0.253 326 G HA3 -0.379 nan 3.960 nan 0.000 0.253 326 G C -0.745 174.129 174.900 -0.043 0.000 0.979 326 G CA -0.066 45.011 45.100 -0.037 0.000 0.641 326 G HN 0.121 8.388 8.290 -0.038 0.000 0.530 327 V N 2.359 122.232 119.914 -0.069 0.000 2.530 327 V HA 0.039 nan 4.120 nan 0.000 0.282 327 V C 0.490 176.580 176.094 -0.007 0.000 1.048 327 V CA 0.478 62.736 62.300 -0.071 0.000 0.997 327 V CB 0.501 32.202 31.823 -0.204 0.000 0.987 327 V HN -0.587 7.495 8.190 -0.078 0.061 0.477 328 V N 3.097 123.031 119.914 0.033 0.000 2.455 328 V HA 0.221 nan 4.120 nan 0.000 0.273 328 V C 0.030 176.158 176.094 0.057 0.000 1.045 328 V CA -0.624 61.694 62.300 0.031 0.000 0.976 328 V CB -0.119 31.724 31.823 0.034 0.000 0.993 328 V HN 0.198 8.416 8.190 0.048 0.000 0.475 329 L N 5.024 126.247 121.223 -0.000 0.000 2.313 329 L HA 0.187 nan 4.340 nan 0.000 0.214 329 L C -1.011 175.808 176.870 -0.086 0.000 1.119 329 L CA 0.326 55.127 54.840 -0.063 0.000 0.809 329 L CB -2.129 39.830 42.059 -0.166 0.000 0.933 329 L HN 0.383 8.600 8.230 -0.021 0.000 0.449 330 P HA 0.000 nan 4.420 nan 0.000 0.216 330 P CA 0.000 63.075 63.100 -0.042 0.000 0.800 330 P CB 0.000 31.697 31.700 -0.004 0.000 0.726