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 1r38_1_C DATA FIRST_RESID 4 DATA SEQUENCE SIPDIKLSSG HLMPSIGFGC WKLANATAGE QVYQAIKAGY RLFDGAEDYG DATA SEQUENCE NEKEVGDGVK RAIDEGLVKR EEIFLTSKLW NNYHDPKNVE TALNKTLADL DATA SEQUENCE KVDYVDLFLI AFPIAFKFVP IEEKYPPGFY CGDGNNFVYE DVPILETWKA DATA SEQUENCE LEKLVAAGKI KSIGVSNFPG ALLLDLLRGA TIKPAVLQVE HHPYLQQPKL DATA SEQUENCE IEFAQKAGVT ITAYSSFGPQ SFVEMNQGRA LNTPTLFAHD TIKAIAAKYN DATA SEQUENCE KTPAEVLLRW AAQRGIAVIP KSNLPERLVQ NRSFNTFDLT KEDFEEIAKL DATA SEQUENCE DIGLRFNDPW DWDNIPIFV 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.529 174.600 -0.119 0.000 1.055 4 S CA 0.000 58.148 58.200 -0.087 0.000 1.107 4 S CB 0.000 63.145 63.200 -0.092 0.000 0.593 5 I N 4.333 124.827 120.570 -0.127 0.000 2.363 5 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 5 I C -2.385 173.667 176.117 -0.108 0.000 1.075 5 I CA -1.917 59.292 61.300 -0.150 0.000 1.333 5 I CB 1.017 38.916 38.000 -0.167 0.000 1.415 5 I HN 0.206 nan 8.210 nan 0.000 0.502 6 P HA 0.047 nan 4.420 nan 0.000 0.266 6 P C -0.931 176.329 177.300 -0.068 0.000 1.195 6 P CA -0.058 62.996 63.100 -0.077 0.000 0.768 6 P CB 0.530 32.183 31.700 -0.078 0.000 0.838 7 D N 1.650 122.021 120.400 -0.050 0.000 2.193 7 D HA 0.393 5.033 4.640 -0.000 0.000 0.249 7 D C 0.150 176.424 176.300 -0.042 0.000 1.034 7 D CA -0.089 53.885 54.000 -0.044 0.000 0.902 7 D CB 1.295 42.086 40.800 -0.015 0.000 1.182 7 D HN 0.200 nan 8.370 nan 0.000 0.436 8 I N 1.224 121.765 120.570 -0.050 0.000 2.404 8 I HA 0.190 4.360 4.170 -0.000 0.000 0.293 8 I C 0.428 176.536 176.117 -0.015 0.000 0.992 8 I CA -0.818 60.457 61.300 -0.042 0.000 1.149 8 I CB 1.742 39.708 38.000 -0.058 0.000 1.315 8 I HN -0.032 nan 8.210 nan 0.000 0.446 9 K N 7.114 127.509 120.400 -0.008 0.000 2.285 9 K HA 0.444 4.764 4.320 -0.000 0.000 0.286 9 K C -0.676 175.933 176.600 0.014 0.000 1.072 9 K CA -0.425 55.870 56.287 0.012 0.000 0.913 9 K CB 0.603 33.102 32.500 -0.002 0.000 1.067 9 K HN 0.544 nan 8.250 nan 0.000 0.479 10 L N 2.715 123.970 121.223 0.052 0.000 2.466 10 L HA 0.066 4.406 4.340 -0.000 0.000 0.257 10 L C 1.753 178.641 176.870 0.030 0.000 1.189 10 L CA -0.273 54.602 54.840 0.059 0.000 0.813 10 L CB 1.201 43.343 42.059 0.138 0.000 1.118 10 L HN 0.834 nan 8.230 nan 0.000 0.471 11 S N -1.533 114.183 115.700 0.025 0.000 2.474 11 S HA -0.133 4.337 4.470 -0.000 0.000 0.235 11 S C 1.567 176.171 174.600 0.007 0.000 0.997 11 S CA 0.816 59.020 58.200 0.007 0.000 0.949 11 S CB -0.398 62.806 63.200 0.007 0.000 0.766 11 S HN 0.778 nan 8.310 nan 0.000 0.517 12 S N 0.249 115.967 115.700 0.031 0.000 2.562 12 S HA 0.444 4.914 4.470 -0.000 0.000 0.221 12 S C 1.705 176.203 174.600 -0.170 0.000 0.975 12 S CA 0.445 58.645 58.200 -0.001 0.000 0.918 12 S CB -0.511 62.769 63.200 0.133 0.000 0.772 12 S HN 1.327 nan 8.310 nan 0.000 0.531 13 G N 0.840 109.563 108.800 -0.128 0.000 2.213 13 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 13 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 13 G C -0.016 174.773 174.900 -0.185 0.000 0.991 13 G CA 0.060 45.048 45.100 -0.187 0.000 0.629 13 G HN 0.635 nan 8.290 nan 0.000 0.517 14 H N 0.229 119.337 119.070 0.063 0.000 2.511 14 H HA 0.544 5.100 4.556 -0.000 0.000 0.346 14 H C 0.870 176.277 175.328 0.133 0.000 1.128 14 H CA -0.180 55.927 56.048 0.099 0.000 1.342 14 H CB 1.027 30.863 29.762 0.123 0.000 1.470 14 H HN 0.192 nan 8.280 nan 0.000 0.546 15 L N 2.763 124.153 121.223 0.277 0.000 2.326 15 L HA 0.306 4.646 4.340 -0.000 0.000 0.278 15 L C 0.497 177.492 176.870 0.208 0.000 1.092 15 L CA -0.064 54.884 54.840 0.180 0.000 0.810 15 L CB 0.679 42.813 42.059 0.126 0.000 1.153 15 L HN 0.363 nan 8.230 nan 0.000 0.439 16 M N 5.162 124.762 119.600 -0.001 0.000 2.197 16 M HA 0.449 4.929 4.480 -0.000 0.000 0.301 16 M C -2.583 173.540 176.300 -0.294 0.000 0.987 16 M CA -1.728 53.349 55.300 -0.372 0.000 0.921 16 M CB 2.500 34.810 32.600 -0.483 0.000 1.569 16 M HN 0.166 nan 8.290 nan 0.000 0.431 17 P HA 0.016 nan 4.420 nan 0.000 0.262 17 P C 0.094 177.299 177.300 -0.158 0.000 1.182 17 P CA 0.185 63.185 63.100 -0.166 0.000 0.761 17 P CB 0.682 32.308 31.700 -0.123 0.000 0.795 18 S N 2.926 118.566 115.700 -0.101 0.000 2.515 18 S HA 0.019 4.489 4.470 -0.000 0.000 0.231 18 S C 0.643 175.238 174.600 -0.008 0.000 0.987 18 S CA 0.615 58.779 58.200 -0.060 0.000 0.936 18 S CB -0.553 62.618 63.200 -0.048 0.000 0.766 18 S HN 0.351 nan 8.310 nan 0.000 0.528 19 I N 1.045 121.601 120.570 -0.024 0.000 2.499 19 I HA 0.657 4.827 4.170 -0.000 0.000 0.288 19 I C 0.353 176.497 176.117 0.045 0.000 1.048 19 I CA -0.765 60.565 61.300 0.050 0.000 1.062 19 I CB 2.033 40.040 38.000 0.012 0.000 1.238 19 I HN 0.221 nan 8.210 nan 0.000 0.426 20 G N 4.225 113.112 108.800 0.145 0.000 3.015 20 G HA2 0.642 4.602 3.960 -0.000 0.000 0.281 20 G HA3 0.642 4.602 3.960 -0.000 0.000 0.281 20 G C -1.961 173.139 174.900 0.334 0.000 1.386 20 G CA -0.486 44.716 45.100 0.171 0.000 0.959 20 G HN 0.303 nan 8.290 nan 0.000 0.522 21 F N 1.339 121.219 119.950 -0.116 0.000 2.388 21 F HA 0.632 5.159 4.527 -0.000 0.000 0.358 21 F C 0.642 176.431 175.800 -0.018 0.000 1.122 21 F CA -1.007 56.852 58.000 -0.235 0.000 1.056 21 F CB 1.164 39.794 39.000 -0.617 0.000 1.155 21 F HN 0.572 nan 8.300 nan 0.000 0.461 22 G N 4.045 112.628 108.800 -0.362 0.000 2.442 22 G HA2 0.262 4.222 3.960 -0.000 0.000 0.249 22 G HA3 0.262 4.222 3.960 -0.000 0.000 0.249 22 G C -0.061 174.594 174.900 -0.409 0.000 1.263 22 G CA -0.458 44.502 45.100 -0.233 0.000 0.846 22 G HN 0.942 nan 8.290 nan 0.000 0.555 23 C N 1.949 121.210 119.300 -0.064 0.000 3.183 23 C HA 0.182 4.642 4.460 -0.000 0.000 0.285 23 C C 0.579 175.515 174.990 -0.091 0.000 1.313 23 C CA -1.295 57.723 59.018 -0.001 0.000 1.711 23 C CB -1.262 26.647 27.740 0.282 0.000 2.135 23 C HN 0.738 nan 8.230 nan 0.000 0.651 24 W N 2.960 123.862 121.300 -0.663 0.000 2.322 24 W HA 0.273 4.933 4.660 -0.000 0.000 0.328 24 W C 0.871 177.076 176.519 -0.524 0.000 1.395 24 W CA -0.111 56.566 57.345 -1.113 0.000 1.267 24 W CB -0.049 28.686 29.460 -1.210 0.000 1.259 24 W HN 0.375 nan 8.180 nan 0.000 0.560 25 K N 3.733 123.894 120.400 -0.398 0.000 3.281 25 K HA -0.235 4.085 4.320 -0.000 0.000 0.295 25 K C -0.130 176.335 176.600 -0.225 0.000 1.233 25 K CA 0.391 56.424 56.287 -0.423 0.000 0.866 25 K CB -1.986 30.056 32.500 -0.763 0.000 1.265 25 K HN 0.458 nan 8.250 nan 0.000 0.482 26 L N 1.391 122.544 121.223 -0.116 0.000 2.319 26 L HA 0.298 4.638 4.340 -0.000 0.000 0.280 26 L C 1.065 177.929 176.870 -0.011 0.000 1.099 26 L CA -0.255 54.563 54.840 -0.037 0.000 0.828 26 L CB 0.900 42.983 42.059 0.040 0.000 1.150 26 L HN 0.197 nan 8.230 nan 0.000 0.442 27 A N 3.320 126.131 122.820 -0.014 0.000 2.511 27 A HA 0.046 4.365 4.320 -0.000 0.000 0.242 27 A C 0.944 178.537 177.584 0.014 0.000 1.069 27 A CA -0.206 51.826 52.037 -0.009 0.000 0.763 27 A CB -0.012 18.980 19.000 -0.013 0.000 1.001 27 A HN 0.876 nan 8.150 nan 0.000 0.498 28 N N 1.746 120.453 118.700 0.012 0.000 2.272 28 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 28 N C 1.736 177.256 175.510 0.017 0.000 1.014 28 N CA 1.751 54.814 53.050 0.021 0.000 0.870 28 N CB -0.186 38.311 38.487 0.016 0.000 0.975 28 N HN 0.768 nan 8.380 nan 0.000 0.433 29 A N -0.215 122.611 122.820 0.010 0.000 1.968 29 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 29 A C 2.008 179.599 177.584 0.012 0.000 1.169 29 A CA 1.830 53.871 52.037 0.007 0.000 0.638 29 A CB -0.537 18.463 19.000 0.001 0.000 0.812 29 A HN 0.439 nan 8.150 nan 0.000 0.446 30 T N -4.697 109.870 114.554 0.022 0.000 3.040 30 T HA 0.561 4.911 4.350 -0.000 0.000 0.266 30 T C 1.551 176.284 174.700 0.056 0.000 1.005 30 T CA 0.810 62.929 62.100 0.033 0.000 0.906 30 T CB 0.297 69.186 68.868 0.035 0.000 1.082 30 T HN 0.408 nan 8.240 nan 0.000 0.531 31 A N 2.192 125.048 122.820 0.060 0.000 1.865 31 A HA 0.228 4.548 4.320 -0.000 0.000 0.217 31 A C 2.524 180.157 177.584 0.083 0.000 1.191 31 A CA 1.896 53.988 52.037 0.092 0.000 0.623 31 A CB -1.653 17.399 19.000 0.086 0.000 0.826 31 A HN 0.594 nan 8.150 nan 0.000 0.444 32 G N -0.393 108.434 108.800 0.045 0.000 2.553 32 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.218 32 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.218 32 G C 1.461 176.388 174.900 0.046 0.000 1.195 32 G CA 1.608 46.722 45.100 0.022 0.000 0.779 32 G HN 0.596 nan 8.290 nan 0.000 0.577 33 E N 0.587 120.812 120.200 0.041 0.000 2.085 33 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 33 E C 2.584 179.257 176.600 0.122 0.000 0.994 33 E CA 1.725 58.169 56.400 0.073 0.000 0.801 33 E CB -0.369 29.355 29.700 0.041 0.000 0.743 33 E HN 0.641 nan 8.360 nan 0.000 0.453 34 Q N -0.600 119.262 119.800 0.103 0.000 2.124 34 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 34 Q C 2.288 178.312 176.000 0.040 0.000 0.977 34 Q CA 1.505 57.370 55.803 0.103 0.000 0.850 34 Q CB 0.039 28.890 28.738 0.188 0.000 0.901 34 Q HN 0.222 nan 8.270 nan 0.000 0.429 35 V N 0.056 120.016 119.914 0.076 0.000 2.358 35 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 35 V C 1.907 177.965 176.094 -0.060 0.000 1.047 35 V CA 1.806 64.085 62.300 -0.036 0.000 1.035 35 V CB -0.620 31.092 31.823 -0.184 0.000 0.658 35 V HN 0.394 nan 8.190 nan 0.000 0.452 36 Y N 0.908 121.146 120.300 -0.104 0.000 2.165 36 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 36 Y C 2.654 178.536 175.900 -0.030 0.000 1.155 36 Y CA 1.886 59.948 58.100 -0.064 0.000 1.164 36 Y CB -0.141 38.292 38.460 -0.045 0.000 0.978 36 Y HN 0.209 nan 8.280 nan 0.000 0.513 37 Q N 0.099 119.902 119.800 0.005 0.000 2.119 37 Q HA -0.093 4.247 4.340 -0.000 0.000 0.201 37 Q C 2.551 178.474 176.000 -0.129 0.000 0.972 37 Q CA 1.287 57.039 55.803 -0.084 0.000 0.847 37 Q CB -0.764 27.979 28.738 0.008 0.000 0.903 37 Q HN 0.638 nan 8.270 nan 0.000 0.433 38 A N 0.788 123.502 122.820 -0.176 0.000 1.902 38 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 38 A C 2.167 179.804 177.584 0.088 0.000 1.181 38 A CA 0.968 52.875 52.037 -0.216 0.000 0.623 38 A CB -0.600 17.988 19.000 -0.687 0.000 0.818 38 A HN 0.303 nan 8.150 nan 0.000 0.443 39 I N -0.493 120.136 120.570 0.098 0.000 2.179 39 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 39 I C 2.397 178.497 176.117 -0.028 0.000 1.088 39 I CA 1.567 62.935 61.300 0.113 0.000 1.357 39 I CB -0.285 37.732 38.000 0.029 0.000 1.051 39 I HN 0.299 nan 8.210 nan 0.000 0.409 40 K N 0.818 121.107 120.400 -0.184 0.000 2.152 40 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 40 K C 1.825 178.390 176.600 -0.059 0.000 1.048 40 K CA 1.409 57.592 56.287 -0.174 0.000 0.933 40 K CB -0.187 32.154 32.500 -0.264 0.000 0.721 40 K HN 0.308 nan 8.250 nan 0.000 0.447 41 A N 0.146 122.965 122.820 -0.003 0.000 2.259 41 A HA 0.222 4.541 4.320 -0.000 0.000 0.208 41 A C 1.306 178.913 177.584 0.039 0.000 1.201 41 A CA 0.789 52.855 52.037 0.048 0.000 0.824 41 A CB -0.223 18.847 19.000 0.116 0.000 0.838 41 A HN 0.423 nan 8.150 nan 0.000 0.485 42 G N -2.400 106.418 108.800 0.029 0.000 2.179 42 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 42 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 42 G C 0.001 174.865 174.900 -0.059 0.000 0.990 42 G CA 0.030 45.111 45.100 -0.032 0.000 0.646 42 G HN 0.379 nan 8.290 nan 0.000 0.517 43 Y N 0.664 120.942 120.300 -0.036 0.000 2.425 43 Y HA 0.564 5.114 4.550 -0.000 0.000 0.331 43 Y C 1.773 177.662 175.900 -0.017 0.000 1.157 43 Y CA 0.072 58.115 58.100 -0.094 0.000 1.372 43 Y CB 0.781 39.102 38.460 -0.233 0.000 1.253 43 Y HN -0.005 nan 8.280 nan 0.000 0.536 44 R N 1.835 122.380 120.500 0.074 0.000 2.435 44 R HA 0.228 4.568 4.340 -0.000 0.000 0.221 44 R C -0.620 175.809 176.300 0.215 0.000 0.885 44 R CA -0.103 56.112 56.100 0.192 0.000 1.018 44 R CB 0.258 30.640 30.300 0.137 0.000 1.259 44 R HN 0.607 nan 8.270 nan 0.000 0.597 45 L N 1.127 122.344 121.223 -0.009 0.000 2.307 45 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 45 L C -1.385 175.321 176.870 -0.273 0.000 1.023 45 L CA -0.604 54.278 54.840 0.069 0.000 0.810 45 L CB 0.824 42.879 42.059 -0.006 0.000 1.231 45 L HN -0.211 nan 8.230 nan 0.000 0.423 46 F N 2.715 122.865 119.950 0.334 0.000 2.507 46 F HA 0.275 4.802 4.527 -0.000 0.000 0.328 46 F C -0.289 175.685 175.800 0.291 0.000 1.136 46 F CA -0.790 57.402 58.000 0.321 0.000 0.930 46 F CB 1.573 40.750 39.000 0.295 0.000 1.166 46 F HN 0.430 nan 8.300 nan 0.000 0.436 47 D N 2.482 123.086 120.400 0.341 0.000 2.380 47 D HA 0.515 5.155 4.640 -0.000 0.000 0.230 47 D C 0.239 176.759 176.300 0.367 0.000 1.154 47 D CA 0.111 54.296 54.000 0.307 0.000 0.859 47 D CB 0.627 41.566 40.800 0.231 0.000 1.045 47 D HN 0.676 nan 8.370 nan 0.000 0.495 48 G N 1.876 110.868 108.800 0.320 0.000 2.938 48 G HA2 0.857 4.817 3.960 -0.000 0.000 0.258 48 G HA3 0.857 4.817 3.960 -0.000 0.000 0.258 48 G C -1.184 173.664 174.900 -0.087 0.000 1.356 48 G CA -0.501 44.765 45.100 0.277 0.000 1.052 48 G HN 0.719 nan 8.290 nan 0.000 0.550 49 A N -1.619 120.983 122.820 -0.363 0.000 2.590 49 A HA 0.577 4.897 4.320 -0.000 0.000 0.296 49 A C 0.272 177.668 177.584 -0.314 0.000 1.050 49 A CA -0.195 51.506 52.037 -0.559 0.000 0.697 49 A CB 0.634 18.785 19.000 -1.413 0.000 1.277 49 A HN 0.563 nan 8.150 nan 0.000 0.411 50 E N 0.734 120.894 120.200 -0.067 0.000 2.077 50 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 50 E C 1.071 177.541 176.600 -0.218 0.000 0.989 50 E CA 1.555 57.982 56.400 0.044 0.000 0.800 50 E CB 0.010 29.907 29.700 0.327 0.000 0.746 50 E HN 0.810 nan 8.360 nan 0.000 0.452 51 D N 0.077 120.248 120.400 -0.382 0.000 2.348 51 D HA -0.176 4.464 4.640 -0.000 0.000 0.216 51 D C 1.144 177.284 176.300 -0.266 0.000 0.970 51 D CA 0.639 54.257 54.000 -0.637 0.000 0.889 51 D CB -0.150 39.868 40.800 -1.303 0.000 0.912 51 D HN 0.238 nan 8.370 nan 0.000 0.524 52 Y N 1.176 121.383 120.300 -0.156 0.000 2.509 52 Y HA 0.180 4.730 4.550 -0.000 0.000 0.293 52 Y C 2.422 178.299 175.900 -0.038 0.000 1.133 52 Y CA 0.195 58.290 58.100 -0.009 0.000 1.283 52 Y CB -0.796 37.718 38.460 0.091 0.000 1.001 52 Y HN 0.228 nan 8.280 nan 0.000 0.555 53 G N 1.266 110.075 108.800 0.015 0.000 2.187 53 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.261 53 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.261 53 G C 0.395 175.327 174.900 0.054 0.000 1.000 53 G CA 0.762 45.846 45.100 -0.027 0.000 0.718 53 G HN 0.540 nan 8.290 nan 0.000 0.519 54 N N -0.909 117.857 118.700 0.110 0.000 2.305 54 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 54 N C 0.905 176.485 175.510 0.117 0.000 1.290 54 N CA 0.343 53.458 53.050 0.107 0.000 0.873 54 N CB 0.125 38.681 38.487 0.115 0.000 1.261 54 N HN 0.391 nan 8.380 nan 0.000 0.504 55 E N 0.942 121.216 120.200 0.123 0.000 2.153 55 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 55 E C 1.280 177.926 176.600 0.076 0.000 0.988 55 E CA 0.821 57.289 56.400 0.113 0.000 0.811 55 E CB 0.172 29.947 29.700 0.124 0.000 0.746 55 E HN 0.444 nan 8.360 nan 0.000 0.466 56 K N 0.976 121.419 120.400 0.072 0.000 2.057 56 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 56 K C 1.748 178.364 176.600 0.026 0.000 1.049 56 K CA 1.385 57.697 56.287 0.041 0.000 0.931 56 K CB 0.174 32.700 32.500 0.043 0.000 0.714 56 K HN -0.048 nan 8.250 nan 0.000 0.440 57 E N -0.096 120.127 120.200 0.038 0.000 2.158 57 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 57 E C 1.834 178.447 176.600 0.022 0.000 0.982 57 E CA 0.648 57.065 56.400 0.028 0.000 0.823 57 E CB 0.062 29.785 29.700 0.039 0.000 0.766 57 E HN 0.015 nan 8.360 nan 0.000 0.468 58 V N 0.594 120.532 119.914 0.040 0.000 2.343 58 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 58 V C 2.210 178.276 176.094 -0.047 0.000 1.051 58 V CA 2.062 64.370 62.300 0.014 0.000 1.036 58 V CB -0.962 30.906 31.823 0.076 0.000 0.654 58 V HN 0.453 nan 8.190 nan 0.000 0.451 59 G N -0.498 108.290 108.800 -0.021 0.000 2.422 59 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 59 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 59 G C 1.242 176.115 174.900 -0.046 0.000 1.146 59 G CA 0.986 46.062 45.100 -0.041 0.000 0.769 59 G HN 0.501 nan 8.290 nan 0.000 0.547 60 D N 0.816 121.196 120.400 -0.032 0.000 2.097 60 D HA -0.083 4.557 4.640 -0.000 0.000 0.195 60 D C 2.656 178.933 176.300 -0.040 0.000 0.989 60 D CA 1.359 55.338 54.000 -0.035 0.000 0.827 60 D CB -0.847 39.936 40.800 -0.029 0.000 0.966 60 D HN 0.299 nan 8.370 nan 0.000 0.456 61 G N 0.909 109.686 108.800 -0.038 0.000 2.459 61 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 61 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 61 G C 1.897 176.784 174.900 -0.021 0.000 1.183 61 G CA 1.160 46.250 45.100 -0.017 0.000 0.776 61 G HN 0.251 nan 8.290 nan 0.000 0.552 62 V N 1.030 120.878 119.914 -0.110 0.000 2.332 62 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 62 V C 2.668 178.746 176.094 -0.028 0.000 1.055 62 V CA 2.300 64.539 62.300 -0.102 0.000 1.038 62 V CB -0.478 31.262 31.823 -0.137 0.000 0.651 62 V HN 0.445 nan 8.190 nan 0.000 0.450 63 K N 0.264 120.645 120.400 -0.032 0.000 2.097 63 K HA -0.231 4.089 4.320 -0.000 0.000 0.206 63 K C 2.413 179.014 176.600 0.003 0.000 1.049 63 K CA 1.695 57.970 56.287 -0.020 0.000 0.933 63 K CB -0.145 32.336 32.500 -0.031 0.000 0.717 63 K HN 0.374 nan 8.250 nan 0.000 0.442 64 R N 0.172 120.676 120.500 0.007 0.000 2.075 64 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 64 R C 2.097 178.470 176.300 0.123 0.000 1.126 64 R CA 1.371 57.474 56.100 0.006 0.000 0.963 64 R CB -0.320 29.913 30.300 -0.110 0.000 0.858 64 R HN 0.239 nan 8.270 nan 0.000 0.435 65 A N 0.824 123.776 122.820 0.220 0.000 2.019 65 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 65 A C 2.082 179.730 177.584 0.107 0.000 1.164 65 A CA 1.204 53.374 52.037 0.222 0.000 0.644 65 A CB -0.355 18.720 19.000 0.125 0.000 0.805 65 A HN 0.389 nan 8.150 nan 0.000 0.449 66 I N -0.684 119.926 120.570 0.066 0.000 2.400 66 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 66 I C 1.611 177.750 176.117 0.036 0.000 1.109 66 I CA 0.993 62.318 61.300 0.041 0.000 1.425 66 I CB -0.330 37.681 38.000 0.019 0.000 1.094 66 I HN 0.170 nan 8.210 nan 0.000 0.425 67 D N 0.983 121.401 120.400 0.031 0.000 2.178 67 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 67 D C 1.801 178.120 176.300 0.032 0.000 0.980 67 D CA 1.181 55.194 54.000 0.020 0.000 0.842 67 D CB -0.123 40.680 40.800 0.005 0.000 0.948 67 D HN 0.390 nan 8.370 nan 0.000 0.472 68 E N -0.603 119.631 120.200 0.057 0.000 2.502 68 E HA 0.142 4.492 4.350 -0.000 0.000 0.194 68 E C 1.100 177.735 176.600 0.059 0.000 1.062 68 E CA 0.288 56.729 56.400 0.069 0.000 0.867 68 E CB 0.259 30.036 29.700 0.129 0.000 0.888 68 E HN 0.274 nan 8.360 nan 0.000 0.510 69 G N 0.979 109.808 108.800 0.050 0.000 2.148 69 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 69 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 69 G C 0.822 175.745 174.900 0.040 0.000 0.981 69 G CA 0.377 45.501 45.100 0.039 0.000 0.670 69 G HN 0.278 nan 8.290 nan 0.000 0.528 70 L N -0.761 120.491 121.223 0.048 0.000 2.109 70 L HA 0.226 4.566 4.340 -0.000 0.000 0.207 70 L C 1.521 178.409 176.870 0.030 0.000 1.086 70 L CA 1.734 56.592 54.840 0.030 0.000 0.760 70 L CB -0.462 41.604 42.059 0.012 0.000 0.910 70 L HN 0.554 nan 8.230 nan 0.000 0.437 71 V N -4.556 115.382 119.914 0.041 0.000 3.206 71 V HA 0.458 4.578 4.120 -0.000 0.000 0.305 71 V C -1.029 175.093 176.094 0.047 0.000 1.257 71 V CA -1.305 61.024 62.300 0.048 0.000 1.057 71 V CB 2.106 33.968 31.823 0.065 0.000 1.075 71 V HN -0.047 nan 8.190 nan 0.000 0.443 72 K N 0.011 120.442 120.400 0.051 0.000 2.221 72 K HA 0.565 4.885 4.320 -0.000 0.000 0.243 72 K C 0.649 177.281 176.600 0.054 0.000 0.968 72 K CA -0.941 55.374 56.287 0.047 0.000 0.846 72 K CB 2.215 34.744 32.500 0.047 0.000 1.141 72 K HN 0.759 nan 8.250 nan 0.000 0.434 73 R N 2.111 122.636 120.500 0.041 0.000 2.119 73 R HA -0.210 4.130 4.340 -0.000 0.000 0.246 73 R C 1.731 178.078 176.300 0.079 0.000 1.146 73 R CA 2.266 58.384 56.100 0.030 0.000 0.962 73 R CB -0.185 30.113 30.300 -0.003 0.000 0.863 73 R HN 0.771 nan 8.270 nan 0.000 0.442 74 E N 0.463 120.726 120.200 0.105 0.000 2.478 74 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 74 E C 0.612 177.288 176.600 0.126 0.000 1.046 74 E CA 1.220 57.699 56.400 0.132 0.000 0.870 74 E CB -0.009 29.756 29.700 0.107 0.000 0.818 74 E HN 0.656 nan 8.360 nan 0.000 0.527 75 E N 0.126 120.395 120.200 0.115 0.000 2.447 75 E HA 0.115 4.465 4.350 -0.000 0.000 0.195 75 E C 0.193 176.896 176.600 0.172 0.000 1.028 75 E CA -0.130 56.346 56.400 0.126 0.000 0.876 75 E CB 0.524 30.283 29.700 0.098 0.000 0.885 75 E HN 0.203 nan 8.360 nan 0.000 0.500 76 I N 1.102 121.780 120.570 0.181 0.000 2.359 76 I HA 0.192 4.362 4.170 -0.000 0.000 0.294 76 I C -0.524 175.760 176.117 0.280 0.000 0.987 76 I CA -0.725 60.726 61.300 0.251 0.000 1.225 76 I CB 0.707 38.825 38.000 0.197 0.000 1.366 76 I HN -0.086 nan 8.210 nan 0.000 0.466 77 F N 7.372 127.446 119.950 0.206 0.000 2.361 77 F HA 0.485 5.012 4.527 -0.000 0.000 0.364 77 F C -0.702 175.235 175.800 0.228 0.000 1.117 77 F CA -0.586 57.524 58.000 0.183 0.000 1.071 77 F CB 0.744 39.832 39.000 0.146 0.000 1.188 77 F HN 0.202 nan 8.300 nan 0.000 0.464 78 L N 6.147 127.453 121.223 0.139 0.000 2.287 78 L HA 0.445 4.785 4.340 -0.000 0.000 0.287 78 L C -0.188 176.804 176.870 0.203 0.000 1.022 78 L CA -0.475 54.499 54.840 0.222 0.000 0.814 78 L CB 1.650 43.755 42.059 0.078 0.000 1.217 78 L HN 0.515 nan 8.230 nan 0.000 0.420 79 T N 1.548 116.315 114.554 0.354 0.000 2.794 79 T HA 0.451 4.801 4.350 -0.000 0.000 0.280 79 T C -0.196 174.668 174.700 0.273 0.000 0.987 79 T CA -0.309 61.992 62.100 0.334 0.000 0.993 79 T CB 1.903 70.993 68.868 0.369 0.000 0.939 79 T HN 0.560 nan 8.240 nan 0.000 0.449 80 S N 2.063 117.949 115.700 0.310 0.000 2.704 80 S HA 0.754 5.224 4.470 -0.000 0.000 0.296 80 S C -1.616 173.093 174.600 0.182 0.000 1.138 80 S CA -0.904 57.477 58.200 0.301 0.000 0.875 80 S CB 1.068 64.519 63.200 0.419 0.000 1.151 80 S HN 0.625 nan 8.310 nan 0.000 0.500 81 K N 1.285 121.698 120.400 0.021 0.000 2.501 81 K HA 0.426 4.746 4.320 -0.000 0.000 0.252 81 K C -1.663 174.809 176.600 -0.214 0.000 0.934 81 K CA -0.809 55.308 56.287 -0.283 0.000 0.797 81 K CB 1.938 34.365 32.500 -0.120 0.000 1.270 81 K HN 0.432 nan 8.250 nan 0.000 0.431 82 L N 3.672 124.582 121.223 -0.521 0.000 2.369 82 L HA 0.181 4.521 4.340 -0.000 0.000 0.279 82 L C -0.183 176.880 176.870 0.322 0.000 1.108 82 L CA 0.033 54.872 54.840 -0.003 0.000 0.852 82 L CB 0.113 42.089 42.059 -0.138 0.000 1.169 82 L HN 0.640 nan 8.230 nan 0.000 0.452 83 W N 5.311 126.818 121.300 0.345 0.000 2.093 83 W HA -0.004 4.655 4.660 -0.000 0.000 0.352 83 W C 0.795 177.425 176.519 0.185 0.000 1.294 83 W CA -0.759 56.727 57.345 0.235 0.000 1.290 83 W CB 0.763 30.333 29.460 0.183 0.000 1.149 83 W HN 0.684 nan 8.180 nan 0.000 0.606 84 N N 2.365 120.358 118.700 -1.179 0.000 2.258 84 N HA -0.233 4.507 4.740 -0.000 0.000 0.187 84 N C 0.765 175.927 175.510 -0.580 0.000 1.012 84 N CA 1.736 54.141 53.050 -1.075 0.000 0.870 84 N CB -0.415 36.889 38.487 -1.972 0.000 0.977 84 N HN 0.432 nan 8.380 nan 0.000 0.434 85 N N -0.425 117.998 118.700 -0.462 0.000 2.461 85 N HA -0.030 4.710 4.740 -0.000 0.000 0.188 85 N C -0.208 175.331 175.510 0.048 0.000 1.134 85 N CA 0.376 53.318 53.050 -0.180 0.000 0.878 85 N CB 0.011 38.342 38.487 -0.259 0.000 0.972 85 N HN 0.368 nan 8.380 nan 0.000 0.456 86 Y N -1.193 119.353 120.300 0.411 0.000 2.734 86 Y HA 0.299 4.849 4.550 -0.000 0.000 0.278 86 Y C 0.984 177.094 175.900 0.351 0.000 1.108 86 Y CA -0.853 57.499 58.100 0.420 0.000 1.211 86 Y CB -0.835 37.882 38.460 0.428 0.000 1.182 86 Y HN 0.290 nan 8.280 nan 0.000 0.547 87 H N -0.998 118.207 119.070 0.225 0.000 2.470 87 H HA -0.055 4.501 4.556 -0.000 0.000 0.289 87 H C 0.306 175.714 175.328 0.133 0.000 1.033 87 H CA 0.311 56.456 56.048 0.162 0.000 1.331 87 H CB 0.516 30.346 29.762 0.112 0.000 1.414 87 H HN 0.209 nan 8.280 nan 0.000 0.545 88 D N 1.119 121.661 120.400 0.238 0.000 2.434 88 D HA -0.031 4.609 4.640 -0.000 0.000 0.252 88 D C -1.642 174.702 176.300 0.074 0.000 1.185 88 D CA -1.838 52.236 54.000 0.123 0.000 0.886 88 D CB 1.336 42.174 40.800 0.063 0.000 1.148 88 D HN 0.059 nan 8.370 nan 0.000 0.483 89 P HA -0.236 nan 4.420 nan 0.000 0.218 89 P C 1.057 178.356 177.300 -0.002 0.000 1.154 89 P CA 2.115 65.235 63.100 0.034 0.000 0.872 89 P CB 0.011 31.731 31.700 0.032 0.000 0.790 90 K N -1.732 118.650 120.400 -0.031 0.000 2.442 90 K HA -0.043 4.277 4.320 -0.000 0.000 0.198 90 K C 1.063 177.586 176.600 -0.129 0.000 1.042 90 K CA 1.253 57.498 56.287 -0.071 0.000 0.958 90 K CB -0.418 32.032 32.500 -0.082 0.000 0.766 90 K HN 0.120 nan 8.250 nan 0.000 0.474 91 N N 0.512 119.131 118.700 -0.134 0.000 2.294 91 N HA 0.017 4.757 4.740 -0.000 0.000 0.186 91 N C 1.585 177.100 175.510 0.008 0.000 1.107 91 N CA 0.243 53.184 53.050 -0.182 0.000 0.884 91 N CB 0.476 38.726 38.487 -0.395 0.000 1.030 91 N HN -0.038 nan 8.380 nan 0.000 0.482 92 V N 1.800 121.752 119.914 0.062 0.000 2.287 92 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 92 V C 2.406 178.537 176.094 0.062 0.000 1.053 92 V CA 1.882 64.255 62.300 0.120 0.000 1.027 92 V CB -0.395 31.490 31.823 0.103 0.000 0.646 92 V HN 0.356 nan 8.190 nan 0.000 0.447 93 E N -0.243 119.957 120.200 -0.000 0.000 2.106 93 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 93 E C 2.188 178.751 176.600 -0.062 0.000 0.984 93 E CA 1.656 58.031 56.400 -0.042 0.000 0.806 93 E CB -0.111 29.560 29.700 -0.049 0.000 0.750 93 E HN 0.657 nan 8.360 nan 0.000 0.458 94 T N 0.545 115.064 114.554 -0.058 0.000 2.684 94 T HA -0.182 4.167 4.350 -0.000 0.000 0.267 94 T C 1.856 176.478 174.700 -0.130 0.000 1.036 94 T CA 1.411 63.467 62.100 -0.073 0.000 1.148 94 T CB -0.329 68.517 68.868 -0.036 0.000 0.863 94 T HN 0.342 nan 8.240 nan 0.000 0.436 95 A N 1.221 123.945 122.820 -0.159 0.000 1.873 95 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 95 A C 2.254 179.797 177.584 -0.068 0.000 1.186 95 A CA 1.247 53.141 52.037 -0.238 0.000 0.616 95 A CB -0.836 18.005 19.000 -0.266 0.000 0.823 95 A HN 0.393 nan 8.150 nan 0.000 0.442 96 L N 0.555 121.742 121.223 -0.061 0.000 2.042 96 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 96 L C 1.820 178.564 176.870 -0.210 0.000 1.076 96 L CA 2.287 56.972 54.840 -0.260 0.000 0.749 96 L CB -0.895 40.925 42.059 -0.399 0.000 0.893 96 L HN 0.329 nan 8.230 nan 0.000 0.432 97 N N 0.046 118.653 118.700 -0.155 0.000 2.149 97 N HA -0.233 4.507 4.740 -0.000 0.000 0.188 97 N C 1.850 177.281 175.510 -0.132 0.000 1.019 97 N CA 1.416 54.386 53.050 -0.134 0.000 0.857 97 N CB -0.289 38.134 38.487 -0.107 0.000 0.997 97 N HN 0.316 nan 8.380 nan 0.000 0.426 98 K N 0.604 120.913 120.400 -0.151 0.000 2.057 98 K HA 0.027 4.347 4.320 -0.000 0.000 0.206 98 K C 1.847 178.389 176.600 -0.095 0.000 1.050 98 K CA 1.400 57.579 56.287 -0.181 0.000 0.935 98 K CB -0.781 31.514 32.500 -0.342 0.000 0.715 98 K HN 0.009 nan 8.250 nan 0.000 0.439 99 T N 1.188 115.714 114.554 -0.047 0.000 2.746 99 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 99 T C 1.636 176.304 174.700 -0.053 0.000 1.039 99 T CA 1.569 63.673 62.100 0.007 0.000 1.142 99 T CB -0.168 68.719 68.868 0.031 0.000 0.866 99 T HN 0.135 nan 8.240 nan 0.000 0.444 100 L N 0.501 121.657 121.223 -0.112 0.000 2.072 100 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 100 L C 3.003 179.818 176.870 -0.092 0.000 1.079 100 L CA 1.077 55.846 54.840 -0.120 0.000 0.752 100 L CB -0.595 41.379 42.059 -0.142 0.000 0.906 100 L HN 0.215 nan 8.230 nan 0.000 0.436 101 A N -0.166 122.604 122.820 -0.084 0.000 1.930 101 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 101 A C 1.885 179.438 177.584 -0.051 0.000 1.175 101 A CA 1.792 53.788 52.037 -0.069 0.000 0.627 101 A CB -0.415 18.541 19.000 -0.074 0.000 0.815 101 A HN 0.319 nan 8.150 nan 0.000 0.443 102 D N 0.187 120.566 120.400 -0.036 0.000 2.084 102 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 102 D C 1.788 178.082 176.300 -0.010 0.000 0.985 102 D CA 1.021 55.018 54.000 -0.005 0.000 0.826 102 D CB -0.392 40.433 40.800 0.042 0.000 0.978 102 D HN 0.410 nan 8.370 nan 0.000 0.456 103 L N -0.026 121.186 121.223 -0.020 0.000 2.456 103 L HA -0.026 4.314 4.340 -0.000 0.000 0.224 103 L C 0.401 177.233 176.870 -0.063 0.000 1.148 103 L CA 0.413 55.233 54.840 -0.034 0.000 0.825 103 L CB -0.315 41.718 42.059 -0.043 0.000 0.937 103 L HN 0.058 nan 8.230 nan 0.000 0.450 104 K N -0.141 120.220 120.400 -0.065 0.000 3.096 104 K HA -0.159 4.161 4.320 -0.000 0.000 0.266 104 K C -0.550 175.990 176.600 -0.100 0.000 1.043 104 K CA 0.589 56.833 56.287 -0.071 0.000 0.758 104 K CB -1.765 30.702 32.500 -0.055 0.000 1.260 104 K HN 0.348 nan 8.250 nan 0.000 0.481 105 V N -4.484 115.349 119.914 -0.134 0.000 3.141 105 V HA 0.467 4.587 4.120 -0.000 0.000 0.312 105 V C 0.550 176.530 176.094 -0.190 0.000 1.157 105 V CA -0.775 61.403 62.300 -0.204 0.000 1.041 105 V CB 2.158 33.793 31.823 -0.312 0.000 1.071 105 V HN -0.042 nan 8.190 nan 0.000 0.441 106 D N -0.280 119.993 120.400 -0.213 0.000 2.327 106 D HA 0.204 4.844 4.640 -0.000 0.000 0.205 106 D C -0.131 176.156 176.300 -0.023 0.000 0.989 106 D CA 1.656 55.610 54.000 -0.078 0.000 0.873 106 D CB 0.364 41.186 40.800 0.037 0.000 0.955 106 D HN 0.786 nan 8.370 nan 0.000 0.515 107 Y N -1.496 118.738 120.300 -0.110 0.000 2.609 107 Y HA 0.497 5.047 4.550 -0.000 0.000 0.336 107 Y C -0.860 174.949 175.900 -0.150 0.000 1.129 107 Y CA -1.813 56.202 58.100 -0.142 0.000 1.040 107 Y CB 0.671 39.048 38.460 -0.138 0.000 1.310 107 Y HN -0.245 nan 8.280 nan 0.000 0.460 108 V N -1.149 118.762 119.914 -0.006 0.000 2.850 108 V HA 0.484 4.603 4.120 -0.000 0.000 0.315 108 V C 0.026 176.155 176.094 0.057 0.000 1.064 108 V CA -0.484 61.784 62.300 -0.054 0.000 0.979 108 V CB 2.003 33.797 31.823 -0.048 0.000 1.039 108 V HN 0.996 nan 8.190 nan 0.000 0.452 109 D N 0.577 120.887 120.400 -0.149 0.000 2.213 109 D HA 0.133 4.773 4.640 -0.000 0.000 0.205 109 D C 0.014 176.104 176.300 -0.349 0.000 0.961 109 D CA 1.306 55.022 54.000 -0.473 0.000 0.853 109 D CB 0.841 40.822 40.800 -1.364 0.000 0.967 109 D HN 0.413 nan 8.370 nan 0.000 0.496 110 L N 0.012 121.185 121.223 -0.085 0.000 2.493 110 L HA 0.414 4.754 4.340 -0.000 0.000 0.265 110 L C -2.029 175.013 176.870 0.288 0.000 0.954 110 L CA -0.740 54.203 54.840 0.171 0.000 0.844 110 L CB 2.335 44.637 42.059 0.405 0.000 1.302 110 L HN -0.304 nan 8.230 nan 0.000 0.405 111 F N 5.420 125.401 119.950 0.051 0.000 2.518 111 F HA 0.758 5.285 4.527 -0.000 0.000 0.323 111 F C -1.452 174.383 175.800 0.057 0.000 1.129 111 F CA -0.854 57.171 58.000 0.042 0.000 0.920 111 F CB 1.538 40.537 39.000 -0.001 0.000 1.160 111 F HN 0.354 nan 8.300 nan 0.000 0.440 112 L N 6.128 127.176 121.223 -0.292 0.000 2.342 112 L HA 0.541 4.881 4.340 -0.000 0.000 0.271 112 L C -0.399 176.293 176.870 -0.297 0.000 1.008 112 L CA -1.099 53.628 54.840 -0.188 0.000 0.818 112 L CB 2.303 44.321 42.059 -0.069 0.000 1.296 112 L HN 0.430 nan 8.230 nan 0.000 0.427 113 I N 1.917 122.413 120.570 -0.124 0.000 2.436 113 I HA 0.023 4.193 4.170 -0.000 0.000 0.289 113 I C 1.318 177.459 176.117 0.041 0.000 1.083 113 I CA 0.082 61.352 61.300 -0.050 0.000 1.372 113 I CB 1.554 39.604 38.000 0.084 0.000 1.408 113 I HN 0.870 nan 8.210 nan 0.000 0.516 114 A N 7.239 130.106 122.820 0.079 0.000 1.902 114 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 114 A C 0.562 178.159 177.584 0.022 0.000 1.181 114 A CA 1.539 53.640 52.037 0.108 0.000 0.623 114 A CB -0.049 19.163 19.000 0.354 0.000 0.818 114 A HN 0.600 nan 8.150 nan 0.000 0.443 115 F N -2.360 117.703 119.950 0.188 0.000 2.654 115 F HA 0.411 4.938 4.527 -0.000 0.000 0.308 115 F C -2.476 173.407 175.800 0.138 0.000 1.108 115 F CA -1.885 56.199 58.000 0.139 0.000 0.957 115 F CB 2.211 41.206 39.000 -0.008 0.000 1.309 115 F HN -0.194 nan 8.300 nan 0.000 0.446 116 P HA 0.291 nan 4.420 nan 0.000 0.218 116 P C -0.750 176.477 177.300 -0.120 0.000 1.793 116 P CA 0.610 63.648 63.100 -0.104 0.000 0.941 116 P CB -0.139 31.115 31.700 -0.744 0.000 1.919 117 I N 0.369 120.869 120.570 -0.117 0.000 2.533 117 I HA 0.528 4.698 4.170 -0.000 0.000 0.290 117 I C -0.230 175.513 176.117 -0.624 0.000 1.056 117 I CA -1.150 59.966 61.300 -0.307 0.000 1.057 117 I CB 2.644 40.428 38.000 -0.360 0.000 1.240 117 I HN -0.044 nan 8.210 nan 0.000 0.423 118 A N 6.469 129.066 122.820 -0.372 0.000 2.508 118 A HA 0.654 4.974 4.320 -0.000 0.000 0.336 118 A C -0.707 176.930 177.584 0.088 0.000 1.360 118 A CA -0.350 51.464 52.037 -0.371 0.000 0.841 118 A CB -0.065 18.852 19.000 -0.139 0.000 1.136 118 A HN 0.424 nan 8.150 nan 0.000 0.489 119 F N 0.919 120.789 119.950 -0.134 0.000 2.450 119 F HA 0.323 4.849 4.527 -0.000 0.000 0.339 119 F C 1.050 176.795 175.800 -0.093 0.000 1.146 119 F CA -0.734 57.188 58.000 -0.130 0.000 1.267 119 F CB 0.730 39.622 39.000 -0.180 0.000 1.178 119 F HN 0.563 nan 8.300 nan 0.000 0.585 120 K N 1.826 122.256 120.400 0.049 0.000 2.489 120 K HA 0.020 4.340 4.320 -0.000 0.000 0.278 120 K C -0.569 176.091 176.600 0.101 0.000 1.000 120 K CA -0.031 56.281 56.287 0.041 0.000 1.012 120 K CB -0.010 32.439 32.500 -0.084 0.000 0.903 120 K HN 0.348 nan 8.250 nan 0.000 0.485 121 F N 4.662 124.639 119.950 0.045 0.000 2.563 121 F HA 0.267 4.794 4.527 -0.000 0.000 0.363 121 F C -0.669 175.183 175.800 0.086 0.000 1.123 121 F CA -0.004 58.058 58.000 0.103 0.000 1.307 121 F CB 0.527 39.619 39.000 0.154 0.000 1.115 121 F HN 0.167 nan 8.300 nan 0.000 0.592 122 V N 7.509 126.967 119.914 -0.761 0.000 2.525 122 V HA 0.305 4.425 4.120 -0.000 0.000 0.299 122 V C -2.220 173.341 176.094 -0.888 0.000 1.034 122 V CA -1.907 60.052 62.300 -0.569 0.000 0.863 122 V CB 1.702 33.434 31.823 -0.152 0.000 0.999 122 V HN 0.670 nan 8.190 nan 0.000 0.423 123 P HA 0.197 nan 4.420 nan 0.000 0.265 123 P C 1.149 178.433 177.300 -0.027 0.000 1.187 123 P CA 0.201 63.115 63.100 -0.309 0.000 0.766 123 P CB 0.726 32.417 31.700 -0.015 0.000 0.820 124 I N 1.472 122.098 120.570 0.094 0.000 2.208 124 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 124 I C 1.917 178.078 176.117 0.073 0.000 1.097 124 I CA 1.534 62.893 61.300 0.099 0.000 1.363 124 I CB -0.437 37.510 38.000 -0.089 0.000 1.051 124 I HN 0.413 nan 8.210 nan 0.000 0.413 125 E N 0.369 120.595 120.200 0.043 0.000 2.338 125 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 125 E C 1.867 178.493 176.600 0.043 0.000 1.007 125 E CA 0.842 57.262 56.400 0.034 0.000 0.849 125 E CB -0.065 29.651 29.700 0.028 0.000 0.774 125 E HN 0.475 nan 8.360 nan 0.000 0.506 126 E N 0.952 121.183 120.200 0.052 0.000 2.033 126 E HA -0.010 4.340 4.350 -0.000 0.000 0.189 126 E C 0.416 177.042 176.600 0.043 0.000 0.979 126 E CA 0.957 57.385 56.400 0.047 0.000 0.802 126 E CB 0.357 30.094 29.700 0.060 0.000 0.763 126 E HN -0.088 nan 8.360 nan 0.000 0.449 127 K N -1.057 119.400 120.400 0.095 0.000 2.570 127 K HA 0.229 4.549 4.320 -0.000 0.000 0.256 127 K C -2.197 174.533 176.600 0.218 0.000 0.939 127 K CA -0.720 55.617 56.287 0.084 0.000 0.833 127 K CB 0.973 33.468 32.500 -0.009 0.000 1.318 127 K HN 0.060 nan 8.250 nan 0.000 0.433 128 Y N 4.312 124.629 120.300 0.027 0.000 2.399 128 Y HA 0.376 4.926 4.550 -0.000 0.000 0.327 128 Y C -2.452 173.456 175.900 0.013 0.000 1.111 128 Y CA -1.336 56.798 58.100 0.057 0.000 1.047 128 Y CB 1.447 39.953 38.460 0.075 0.000 1.259 128 Y HN 0.512 nan 8.280 nan 0.000 0.434 129 P HA 0.323 nan 4.420 nan 0.000 0.278 129 P C -2.475 174.651 177.300 -0.290 0.000 1.238 129 P CA -1.376 61.256 63.100 -0.781 0.000 0.794 129 P CB 1.566 32.778 31.700 -0.815 0.000 0.955 130 P HA -0.113 nan 4.420 nan 0.000 0.223 130 P C 1.035 178.352 177.300 0.030 0.000 1.151 130 P CA 1.376 64.519 63.100 0.072 0.000 0.787 130 P CB -0.107 31.733 31.700 0.233 0.000 0.788 131 G N 0.992 109.680 108.800 -0.186 0.000 2.611 131 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.301 131 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.301 131 G C 0.371 175.395 174.900 0.206 0.000 1.233 131 G CA 0.432 45.367 45.100 -0.276 0.000 0.993 131 G HN 0.166 nan 8.290 nan 0.000 0.553 132 F N 0.690 120.701 119.950 0.102 0.000 2.797 132 F HA 0.345 4.872 4.527 -0.000 0.000 0.302 132 F C 1.125 176.675 175.800 -0.417 0.000 1.130 132 F CA -0.333 57.608 58.000 -0.098 0.000 1.387 132 F CB -0.676 38.225 39.000 -0.165 0.000 1.107 132 F HN 0.389 nan 8.300 nan 0.000 0.577 133 Y N -0.065 120.146 120.300 -0.148 0.000 2.544 133 Y HA 0.143 4.693 4.550 -0.000 0.000 0.330 133 Y C 0.489 176.224 175.900 -0.275 0.000 1.136 133 Y CA -0.719 57.240 58.100 -0.236 0.000 1.417 133 Y CB 0.582 38.959 38.460 -0.138 0.000 1.229 133 Y HN 0.052 nan 8.280 nan 0.000 0.532 134 C N 5.003 123.728 119.300 -0.959 0.000 2.849 134 C HA 0.378 4.838 4.460 -0.000 0.000 0.271 134 C C 1.370 175.835 174.990 -0.874 0.000 1.519 134 C CA -0.021 58.507 59.018 -0.816 0.000 1.783 134 C CB -0.583 26.723 27.740 -0.723 0.000 2.869 134 C HN 1.250 nan 8.230 nan 0.000 0.527 135 G N 1.892 109.742 108.800 -1.583 0.000 2.159 135 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.256 135 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.256 135 G C -0.267 174.387 174.900 -0.411 0.000 0.977 135 G CA 0.711 45.309 45.100 -0.836 0.000 0.652 135 G HN 0.541 nan 8.290 nan 0.000 0.531 136 D N -0.741 119.404 120.400 -0.424 0.000 2.714 136 D HA 0.554 5.194 4.640 -0.000 0.000 0.264 136 D C 1.201 177.445 176.300 -0.093 0.000 1.231 136 D CA 1.413 55.312 54.000 -0.168 0.000 0.802 136 D CB -0.117 40.583 40.800 -0.167 0.000 1.319 136 D HN 1.370 nan 8.370 nan 0.000 0.528 137 G N 2.550 111.390 108.800 0.067 0.000 2.583 137 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.292 137 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.292 137 G C 0.742 175.660 174.900 0.031 0.000 1.203 137 G CA 0.155 45.297 45.100 0.070 0.000 0.987 137 G HN 0.447 nan 8.290 nan 0.000 0.554 138 N N 2.262 120.931 118.700 -0.052 0.000 2.270 138 N HA 0.081 4.821 4.740 -0.000 0.000 0.198 138 N C 0.241 175.599 175.510 -0.255 0.000 1.117 138 N CA 0.042 53.015 53.050 -0.129 0.000 0.845 138 N CB -0.137 38.305 38.487 -0.076 0.000 0.980 138 N HN 0.426 nan 8.380 nan 0.000 0.486 139 N N 0.605 119.166 118.700 -0.232 0.000 2.530 139 N HA 0.112 4.852 4.740 -0.000 0.000 0.273 139 N C -0.363 174.883 175.510 -0.439 0.000 1.173 139 N CA 0.063 52.974 53.050 -0.232 0.000 0.967 139 N CB 0.611 39.013 38.487 -0.142 0.000 1.109 139 N HN -0.053 nan 8.380 nan 0.000 0.453 140 F N 0.744 120.511 119.950 -0.305 0.000 2.410 140 F HA 0.278 4.805 4.527 -0.000 0.000 0.348 140 F C 0.572 176.008 175.800 -0.606 0.000 1.106 140 F CA -0.379 57.295 58.000 -0.544 0.000 1.163 140 F CB 0.861 39.606 39.000 -0.426 0.000 1.129 140 F HN -0.009 nan 8.300 nan 0.000 0.516 141 V N 4.203 123.714 119.914 -0.671 0.000 2.709 141 V HA 0.423 4.543 4.120 -0.000 0.000 0.308 141 V C -0.946 174.777 176.094 -0.618 0.000 1.062 141 V CA -1.168 60.834 62.300 -0.495 0.000 0.901 141 V CB 1.706 33.357 31.823 -0.288 0.000 1.003 141 V HN 0.516 nan 8.190 nan 0.000 0.425 142 Y N 1.121 121.451 120.300 0.049 0.000 2.621 142 Y HA 0.674 5.224 4.550 -0.000 0.000 0.334 142 Y C 0.395 176.328 175.900 0.055 0.000 1.074 142 Y CA -1.042 57.106 58.100 0.081 0.000 1.149 142 Y CB 1.478 39.980 38.460 0.069 0.000 1.302 142 Y HN 0.556 nan 8.280 nan 0.000 0.501 143 E N 0.259 120.592 120.200 0.221 0.000 2.256 143 E HA 0.230 4.580 4.350 -0.000 0.000 0.267 143 E C -1.480 175.191 176.600 0.118 0.000 0.892 143 E CA -0.942 55.543 56.400 0.142 0.000 0.775 143 E CB 1.502 31.282 29.700 0.134 0.000 1.207 143 E HN 0.464 nan 8.360 nan 0.000 0.420 144 D N 1.966 122.420 120.400 0.091 0.000 2.608 144 D HA 0.131 4.771 4.640 -0.000 0.000 0.224 144 D C -0.908 175.437 176.300 0.074 0.000 1.123 144 D CA 0.175 54.216 54.000 0.068 0.000 1.030 144 D CB 0.282 41.114 40.800 0.053 0.000 1.093 144 D HN 0.005 nan 8.370 nan 0.000 0.497 145 V N 3.108 123.077 119.914 0.091 0.000 2.326 145 V HA 0.257 4.377 4.120 -0.000 0.000 0.281 145 V C -2.017 174.149 176.094 0.120 0.000 1.015 145 V CA -1.708 60.660 62.300 0.114 0.000 0.823 145 V CB 1.569 33.488 31.823 0.160 0.000 1.009 145 V HN 0.140 nan 8.190 nan 0.000 0.436 146 P HA 0.204 nan 4.420 nan 0.000 0.269 146 P C 1.331 178.709 177.300 0.130 0.000 1.209 146 P CA -0.310 62.841 63.100 0.085 0.000 0.776 146 P CB 0.689 32.428 31.700 0.065 0.000 0.876 147 I N 1.717 122.363 120.570 0.126 0.000 2.143 147 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 147 I C 2.034 178.283 176.117 0.220 0.000 1.068 147 I CA 1.747 63.161 61.300 0.190 0.000 1.326 147 I CB -1.246 36.856 38.000 0.170 0.000 1.028 147 I HN 0.414 nan 8.210 nan 0.000 0.412 148 L N 0.969 122.295 121.223 0.172 0.000 2.127 148 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 148 L C 2.456 179.453 176.870 0.212 0.000 1.089 148 L CA 1.828 56.787 54.840 0.198 0.000 0.757 148 L CB -0.680 41.453 42.059 0.124 0.000 0.899 148 L HN 0.172 nan 8.230 nan 0.000 0.434 149 E N -0.657 119.637 120.200 0.156 0.000 2.051 149 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 149 E C 2.131 178.809 176.600 0.131 0.000 0.991 149 E CA 1.833 58.309 56.400 0.127 0.000 0.799 149 E CB -0.721 29.042 29.700 0.104 0.000 0.748 149 E HN 0.510 nan 8.360 nan 0.000 0.449 150 T N 1.178 115.820 114.554 0.147 0.000 2.720 150 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 150 T C 1.425 176.196 174.700 0.118 0.000 1.037 150 T CA 1.107 63.268 62.100 0.102 0.000 1.144 150 T CB -0.331 68.551 68.868 0.023 0.000 0.864 150 T HN 0.384 nan 8.240 nan 0.000 0.444 151 W N 2.308 123.622 121.300 0.023 0.000 2.355 151 W HA -0.112 4.548 4.660 -0.000 0.000 0.309 151 W C 1.930 178.466 176.519 0.029 0.000 1.206 151 W CA 1.173 58.531 57.345 0.022 0.000 1.284 151 W CB -0.198 29.281 29.460 0.032 0.000 1.145 151 W HN 0.260 nan 8.180 nan 0.000 0.502 152 K N 0.140 120.611 120.400 0.119 0.000 2.103 152 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 152 K C 2.244 178.806 176.600 -0.063 0.000 1.048 152 K CA 1.594 57.895 56.287 0.023 0.000 0.930 152 K CB -0.519 32.029 32.500 0.080 0.000 0.716 152 K HN 0.086 nan 8.250 nan 0.000 0.444 153 A N 1.378 124.175 122.820 -0.038 0.000 1.933 153 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 153 A C 2.084 179.606 177.584 -0.104 0.000 1.175 153 A CA 1.176 53.186 52.037 -0.044 0.000 0.628 153 A CB -0.527 18.472 19.000 -0.001 0.000 0.814 153 A HN 0.154 nan 8.150 nan 0.000 0.444 154 L N -0.829 120.273 121.223 -0.201 0.000 2.093 154 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 154 L C 2.529 179.201 176.870 -0.331 0.000 1.085 154 L CA 1.490 56.162 54.840 -0.280 0.000 0.755 154 L CB -0.624 41.134 42.059 -0.501 0.000 0.904 154 L HN 0.477 nan 8.230 nan 0.000 0.435 155 E N 0.263 120.221 120.200 -0.404 0.000 2.110 155 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 155 E C 2.133 178.648 176.600 -0.141 0.000 0.988 155 E CA 0.987 57.224 56.400 -0.271 0.000 0.804 155 E CB 0.032 29.613 29.700 -0.199 0.000 0.745 155 E HN 0.430 nan 8.360 nan 0.000 0.458 156 K N 0.499 120.832 120.400 -0.112 0.000 2.097 156 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 156 K C 2.122 178.678 176.600 -0.073 0.000 1.050 156 K CA 0.789 57.033 56.287 -0.071 0.000 0.938 156 K CB -0.046 32.423 32.500 -0.051 0.000 0.718 156 K HN 0.127 nan 8.250 nan 0.000 0.442 157 L N 0.620 121.790 121.223 -0.089 0.000 2.217 157 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 157 L C 2.185 179.003 176.870 -0.087 0.000 1.107 157 L CA 0.460 55.248 54.840 -0.086 0.000 0.783 157 L CB -0.235 41.768 42.059 -0.093 0.000 0.919 157 L HN -0.044 nan 8.230 nan 0.000 0.442 158 V N -0.001 119.856 119.914 -0.095 0.000 2.427 158 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 158 V C 2.669 178.727 176.094 -0.060 0.000 1.051 158 V CA 1.704 63.958 62.300 -0.077 0.000 1.048 158 V CB -0.678 31.100 31.823 -0.075 0.000 0.666 158 V HN 0.472 nan 8.190 nan 0.000 0.456 159 A N -0.098 122.688 122.820 -0.057 0.000 2.066 159 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 159 A C 2.169 179.727 177.584 -0.043 0.000 1.157 159 A CA 1.414 53.426 52.037 -0.042 0.000 0.670 159 A CB -0.435 18.544 19.000 -0.035 0.000 0.804 159 A HN 0.555 nan 8.150 nan 0.000 0.453 160 A N -1.507 121.283 122.820 -0.049 0.000 2.259 160 A HA 0.411 4.731 4.320 -0.000 0.000 0.208 160 A C 1.783 179.339 177.584 -0.046 0.000 1.201 160 A CA 1.095 53.105 52.037 -0.046 0.000 0.824 160 A CB -1.059 17.911 19.000 -0.050 0.000 0.838 160 A HN 1.771 nan 8.150 nan 0.000 0.485 161 G N -0.295 108.472 108.800 -0.054 0.000 2.168 161 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 161 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 161 G C 0.906 175.779 174.900 -0.045 0.000 0.977 161 G CA 0.925 45.988 45.100 -0.062 0.000 0.659 161 G HN 0.568 nan 8.290 nan 0.000 0.533 162 K N -0.703 119.668 120.400 -0.047 0.000 2.400 162 K HA 0.396 4.716 4.320 -0.000 0.000 0.194 162 K C 0.743 177.315 176.600 -0.047 0.000 1.033 162 K CA 0.584 56.847 56.287 -0.040 0.000 1.021 162 K CB 0.417 32.858 32.500 -0.098 0.000 0.808 162 K HN 0.521 nan 8.250 nan 0.000 0.505 163 I N 0.372 120.905 120.570 -0.063 0.000 2.656 163 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 163 I C 0.383 176.451 176.117 -0.081 0.000 1.144 163 I CA -0.738 60.529 61.300 -0.055 0.000 1.038 163 I CB 2.230 40.200 38.000 -0.050 0.000 1.244 163 I HN -0.274 nan 8.210 nan 0.000 0.420 164 K N 1.958 122.285 120.400 -0.121 0.000 2.099 164 K HA 0.280 4.600 4.320 -0.000 0.000 0.203 164 K C 0.182 176.773 176.600 -0.015 0.000 1.047 164 K CA 0.750 56.909 56.287 -0.213 0.000 0.963 164 K CB 0.211 32.382 32.500 -0.548 0.000 0.759 164 K HN 0.553 nan 8.250 nan 0.000 0.451 165 S N 0.628 116.343 115.700 0.025 0.000 2.549 165 S HA 0.592 5.062 4.470 -0.000 0.000 0.280 165 S C -0.237 174.437 174.600 0.124 0.000 1.109 165 S CA -0.930 57.350 58.200 0.133 0.000 0.905 165 S CB 2.058 65.394 63.200 0.227 0.000 1.081 165 S HN 0.235 nan 8.310 nan 0.000 0.477 166 I N -0.695 119.947 120.570 0.120 0.000 2.740 166 I HA 1.044 5.214 4.170 -0.000 0.000 0.303 166 I C 0.174 176.466 176.117 0.292 0.000 1.044 166 I CA -0.820 60.539 61.300 0.098 0.000 1.064 166 I CB 1.919 39.783 38.000 -0.227 0.000 1.249 166 I HN 0.756 nan 8.210 nan 0.000 0.433 167 G N 2.903 111.879 108.800 0.293 0.000 2.706 167 G HA2 0.668 4.628 3.960 -0.000 0.000 0.307 167 G HA3 0.668 4.628 3.960 -0.000 0.000 0.307 167 G C -1.248 173.718 174.900 0.111 0.000 1.307 167 G CA -0.266 44.986 45.100 0.253 0.000 0.790 167 G HN 1.049 nan 8.290 nan 0.000 0.503 168 V N -2.745 117.083 119.914 -0.144 0.000 3.040 168 V HA 0.933 5.053 4.120 -0.000 0.000 0.312 168 V C -0.338 175.639 176.094 -0.196 0.000 1.115 168 V CA -0.668 61.404 62.300 -0.381 0.000 0.998 168 V CB 1.443 32.490 31.823 -1.293 0.000 1.042 168 V HN 1.260 nan 8.190 nan 0.000 0.433 169 S N 1.904 117.556 115.700 -0.079 0.000 2.536 169 S HA 0.563 5.033 4.470 -0.000 0.000 0.287 169 S C -0.011 174.699 174.600 0.183 0.000 1.101 169 S CA -0.233 57.995 58.200 0.047 0.000 0.950 169 S CB 0.865 64.048 63.200 -0.028 0.000 1.056 169 S HN 1.230 nan 8.310 nan 0.000 0.481 170 N N 1.302 120.144 118.700 0.236 0.000 2.735 170 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 170 N C -1.399 174.349 175.510 0.397 0.000 1.083 170 N CA 0.801 54.059 53.050 0.347 0.000 0.703 170 N CB -1.440 37.103 38.487 0.094 0.000 1.005 170 N HN 0.456 nan 8.380 nan 0.000 0.550 171 F N 1.465 121.472 119.950 0.095 0.000 2.404 171 F HA 0.429 4.956 4.527 -0.000 0.000 0.354 171 F C -1.380 174.473 175.800 0.087 0.000 1.122 171 F CA -2.141 55.883 58.000 0.039 0.000 1.080 171 F CB 0.982 39.986 39.000 0.007 0.000 1.131 171 F HN -0.066 nan 8.300 nan 0.000 0.471 172 P HA 0.189 nan 4.420 nan 0.000 0.277 172 P C 0.723 178.074 177.300 0.085 0.000 1.271 172 P CA -0.233 62.953 63.100 0.144 0.000 0.795 172 P CB 0.928 32.674 31.700 0.076 0.000 1.101 173 G N 0.564 109.385 108.800 0.035 0.000 2.513 173 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 173 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 173 G C 1.622 176.436 174.900 -0.145 0.000 1.160 173 G CA 1.282 46.344 45.100 -0.063 0.000 0.767 173 G HN 0.607 nan 8.290 nan 0.000 0.571 174 A N -0.069 122.675 122.820 -0.127 0.000 1.933 174 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 174 A C 2.364 179.895 177.584 -0.088 0.000 1.175 174 A CA 1.646 53.603 52.037 -0.134 0.000 0.628 174 A CB -0.347 18.583 19.000 -0.116 0.000 0.814 174 A HN 0.389 nan 8.150 nan 0.000 0.444 175 L N -1.021 120.163 121.223 -0.065 0.000 2.072 175 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 175 L C 2.231 179.171 176.870 0.117 0.000 1.079 175 L CA 1.588 56.400 54.840 -0.048 0.000 0.752 175 L CB -0.515 41.412 42.059 -0.220 0.000 0.906 175 L HN 0.386 nan 8.230 nan 0.000 0.436 176 L N -1.070 120.269 121.223 0.193 0.000 2.056 176 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 176 L C 2.274 179.222 176.870 0.130 0.000 1.078 176 L CA 1.719 56.690 54.840 0.218 0.000 0.749 176 L CB -0.788 41.419 42.059 0.247 0.000 0.901 176 L HN 0.341 nan 8.230 nan 0.000 0.433 177 L N -0.380 120.885 121.223 0.070 0.000 2.046 177 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 177 L C 2.090 178.970 176.870 0.016 0.000 1.077 177 L CA 2.254 57.121 54.840 0.045 0.000 0.747 177 L CB -0.932 41.029 42.059 -0.164 0.000 0.896 177 L HN 0.424 nan 8.230 nan 0.000 0.432 178 D N -1.075 119.318 120.400 -0.011 0.000 2.144 178 D HA -0.205 4.435 4.640 -0.000 0.000 0.200 178 D C 2.104 178.391 176.300 -0.021 0.000 0.978 178 D CA 1.184 55.175 54.000 -0.017 0.000 0.833 178 D CB -0.111 40.673 40.800 -0.026 0.000 0.961 178 D HN 0.312 nan 8.370 nan 0.000 0.470 179 L N 0.344 121.552 121.223 -0.024 0.000 2.046 179 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 179 L C 2.050 178.814 176.870 -0.176 0.000 1.077 179 L CA 1.501 56.267 54.840 -0.124 0.000 0.747 179 L CB -0.710 41.227 42.059 -0.202 0.000 0.896 179 L HN 0.166 nan 8.230 nan 0.000 0.432 180 L N -0.806 120.351 121.223 -0.111 0.000 2.187 180 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 180 L C 2.695 179.541 176.870 -0.039 0.000 1.100 180 L CA 1.224 56.017 54.840 -0.079 0.000 0.765 180 L CB -0.473 41.587 42.059 0.002 0.000 0.904 180 L HN 0.285 nan 8.230 nan 0.000 0.437 181 R N -0.567 119.920 120.500 -0.021 0.000 2.115 181 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 181 R C 2.085 178.384 176.300 -0.002 0.000 1.100 181 R CA 1.127 57.224 56.100 -0.005 0.000 0.980 181 R CB -0.330 29.969 30.300 -0.002 0.000 0.875 181 R HN 0.386 nan 8.270 nan 0.000 0.445 182 G N -0.099 108.693 108.800 -0.013 0.000 3.044 182 G HA2 0.237 4.196 3.960 -0.000 0.000 0.223 182 G HA3 0.237 4.196 3.960 -0.000 0.000 0.223 182 G C 0.136 175.066 174.900 0.049 0.000 1.123 182 G CA -0.002 45.109 45.100 0.019 0.000 0.765 182 G HN 0.289 nan 8.290 nan 0.000 0.546 183 A N 0.173 122.993 122.820 -0.001 0.000 2.440 183 A HA 0.554 4.874 4.320 -0.000 0.000 0.251 183 A C 1.343 179.018 177.584 0.151 0.000 1.089 183 A CA 0.377 52.470 52.037 0.094 0.000 0.779 183 A CB 0.613 19.550 19.000 -0.104 0.000 1.022 183 A HN 0.086 nan 8.150 nan 0.000 0.492 184 T N 2.253 116.944 114.554 0.228 0.000 2.901 184 T HA 0.155 4.505 4.350 -0.000 0.000 0.252 184 T C 0.652 175.449 174.700 0.162 0.000 1.035 184 T CA 0.890 63.078 62.100 0.147 0.000 1.142 184 T CB -0.169 68.770 68.868 0.117 0.000 0.869 184 T HN 0.531 nan 8.240 nan 0.000 0.442 185 I N 2.670 123.393 120.570 0.255 0.000 2.304 185 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 185 I C -0.176 176.168 176.117 0.377 0.000 1.018 185 I CA -0.948 60.497 61.300 0.242 0.000 1.260 185 I CB 1.003 39.112 38.000 0.181 0.000 1.390 185 I HN -0.122 nan 8.210 nan 0.000 0.475 186 K N 7.885 128.409 120.400 0.207 0.000 2.326 186 K HA 0.247 4.567 4.320 -0.000 0.000 0.275 186 K C -2.261 174.451 176.600 0.187 0.000 1.018 186 K CA -1.824 54.534 56.287 0.119 0.000 0.962 186 K CB 0.029 32.543 32.500 0.024 0.000 0.953 186 K HN 0.293 nan 8.250 nan 0.000 0.475 187 P HA -0.018 nan 4.420 nan 0.000 0.263 187 P C -0.149 177.188 177.300 0.061 0.000 1.195 187 P CA 0.178 63.305 63.100 0.045 0.000 0.762 187 P CB 0.633 32.104 31.700 -0.382 0.000 0.799 188 A N 3.988 126.894 122.820 0.144 0.000 2.072 188 A HA 0.181 4.501 4.320 -0.000 0.000 0.216 188 A C 0.837 178.451 177.584 0.052 0.000 1.156 188 A CA 0.928 53.020 52.037 0.092 0.000 0.701 188 A CB 0.164 19.248 19.000 0.140 0.000 0.816 188 A HN 0.441 nan 8.150 nan 0.000 0.458 189 V N -0.440 119.504 119.914 0.051 0.000 2.925 189 V HA 0.512 4.631 4.120 -0.000 0.000 0.311 189 V C -1.433 174.647 176.094 -0.024 0.000 1.104 189 V CA -0.663 61.650 62.300 0.021 0.000 0.954 189 V CB 1.972 33.836 31.823 0.069 0.000 1.022 189 V HN 0.338 nan 8.190 nan 0.000 0.427 190 L N 3.467 124.670 121.223 -0.034 0.000 2.372 190 L HA 0.598 4.938 4.340 -0.000 0.000 0.273 190 L C -0.558 176.315 176.870 0.006 0.000 0.989 190 L CA 0.116 54.932 54.840 -0.039 0.000 0.841 190 L CB 1.589 43.626 42.059 -0.036 0.000 1.225 190 L HN 0.811 nan 8.230 nan 0.000 0.414 191 Q N 4.621 124.452 119.800 0.052 0.000 2.314 191 Q HA 0.729 5.069 4.340 -0.000 0.000 0.259 191 Q C -1.355 174.766 176.000 0.202 0.000 0.951 191 Q CA -0.661 55.220 55.803 0.130 0.000 0.909 191 Q CB 1.533 30.371 28.738 0.167 0.000 1.236 191 Q HN 0.705 nan 8.270 nan 0.000 0.444 192 V N 0.242 120.218 119.914 0.103 0.000 3.130 192 V HA 0.514 4.634 4.120 -0.000 0.000 0.310 192 V C -0.532 175.184 176.094 -0.630 0.000 1.158 192 V CA -1.241 61.019 62.300 -0.068 0.000 1.029 192 V CB 1.747 33.547 31.823 -0.037 0.000 1.057 192 V HN 0.867 nan 8.190 nan 0.000 0.436 193 E N 1.218 120.764 120.200 -1.089 0.000 2.417 193 E HA 0.214 4.564 4.350 -0.000 0.000 0.261 193 E C -1.135 175.238 176.600 -0.379 0.000 1.000 193 E CA 0.305 56.060 56.400 -1.075 0.000 0.919 193 E CB 0.191 29.578 29.700 -0.520 0.000 0.955 193 E HN 0.924 nan 8.360 nan 0.000 0.455 194 H N 3.712 122.602 119.070 -0.301 0.000 3.149 194 H HA 0.319 4.875 4.556 -0.000 0.000 0.334 194 H C -1.555 173.819 175.328 0.077 0.000 1.000 194 H CA -0.485 55.456 56.048 -0.178 0.000 1.415 194 H CB 0.584 30.282 29.762 -0.108 0.000 1.819 194 H HN 0.686 nan 8.280 nan 0.000 0.486 195 H N 1.472 120.436 119.070 -0.176 0.000 2.950 195 H HA 0.277 4.833 4.556 -0.000 0.000 0.307 195 H C -2.782 172.360 175.328 -0.311 0.000 1.403 195 H CA -2.254 53.729 56.048 -0.108 0.000 1.145 195 H CB 0.338 30.074 29.762 -0.044 0.000 1.844 195 H HN 0.261 nan 8.280 nan 0.000 0.515 196 P HA -0.154 nan 4.420 nan 0.000 0.220 196 P C 0.283 177.448 177.300 -0.225 0.000 1.144 196 P CA 1.459 64.159 63.100 -0.667 0.000 0.800 196 P CB -0.054 31.065 31.700 -0.968 0.000 0.772 197 Y N -2.108 118.311 120.300 0.198 0.000 2.523 197 Y HA 0.285 4.835 4.550 -0.000 0.000 0.279 197 Y C 1.069 176.981 175.900 0.021 0.000 1.139 197 Y CA -0.202 57.983 58.100 0.142 0.000 1.296 197 Y CB -0.084 38.501 38.460 0.208 0.000 1.045 197 Y HN -0.133 nan 8.280 nan 0.000 0.538 198 L N 0.293 121.463 121.223 -0.089 0.000 2.489 198 L HA 0.332 4.672 4.340 -0.000 0.000 0.257 198 L C 0.283 176.984 176.870 -0.282 0.000 1.215 198 L CA 0.155 54.812 54.840 -0.303 0.000 0.915 198 L CB 0.902 42.613 42.059 -0.580 0.000 1.146 198 L HN -0.010 nan 8.230 nan 0.000 0.494 199 Q N 0.785 120.540 119.800 -0.075 0.000 2.339 199 Q HA 0.113 4.453 4.340 -0.000 0.000 0.205 199 Q C -0.048 176.028 176.000 0.127 0.000 0.925 199 Q CA 0.230 56.068 55.803 0.059 0.000 0.898 199 Q CB 0.226 29.079 28.738 0.192 0.000 1.013 199 Q HN 0.642 nan 8.270 nan 0.000 0.504 200 Q N 0.707 120.532 119.800 0.041 0.000 2.388 200 Q HA -0.198 4.142 4.340 -0.000 0.000 0.346 200 Q C -1.789 174.240 176.000 0.047 0.000 1.319 200 Q CA 0.250 56.069 55.803 0.028 0.000 1.023 200 Q CB -0.964 27.776 28.738 0.003 0.000 1.247 200 Q HN 0.410 nan 8.270 nan 0.000 0.411 201 P HA -0.238 nan 4.420 nan 0.000 0.216 201 P C 0.697 178.003 177.300 0.011 0.000 1.150 201 P CA 1.440 64.557 63.100 0.029 0.000 0.843 201 P CB 0.110 31.830 31.700 0.034 0.000 0.787 202 K N -0.909 119.502 120.400 0.018 0.000 2.148 202 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 202 K C 2.269 178.905 176.600 0.059 0.000 1.050 202 K CA 0.723 57.026 56.287 0.027 0.000 0.942 202 K CB -0.621 31.886 32.500 0.011 0.000 0.724 202 K HN 0.081 nan 8.250 nan 0.000 0.446 203 L N 1.415 122.667 121.223 0.049 0.000 2.005 203 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 203 L C 1.924 178.836 176.870 0.069 0.000 1.072 203 L CA 1.490 56.380 54.840 0.083 0.000 0.744 203 L CB -0.297 41.794 42.059 0.054 0.000 0.895 203 L HN 0.047 nan 8.230 nan 0.000 0.433 204 I N 0.064 120.626 120.570 -0.012 0.000 2.163 204 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 204 I C 2.576 178.648 176.117 -0.075 0.000 1.085 204 I CA 1.705 62.949 61.300 -0.092 0.000 1.347 204 I CB -1.406 36.497 38.000 -0.162 0.000 1.044 204 I HN 0.535 nan 8.210 nan 0.000 0.408 205 E N 0.447 120.626 120.200 -0.035 0.000 2.051 205 E HA -0.271 4.078 4.350 -0.000 0.000 0.192 205 E C 2.345 178.941 176.600 -0.007 0.000 0.991 205 E CA 1.216 57.595 56.400 -0.034 0.000 0.799 205 E CB -0.241 29.453 29.700 -0.010 0.000 0.748 205 E HN 0.342 nan 8.360 nan 0.000 0.449 206 F N 1.195 121.110 119.950 -0.059 0.000 2.102 206 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 206 F C 2.002 177.769 175.800 -0.056 0.000 1.105 206 F CA 1.708 59.677 58.000 -0.051 0.000 1.239 206 F CB -0.629 38.346 39.000 -0.040 0.000 0.991 206 F HN 0.073 nan 8.300 nan 0.000 0.474 207 A N 0.244 122.923 122.820 -0.235 0.000 1.877 207 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 207 A C 2.171 179.556 177.584 -0.332 0.000 1.186 207 A CA 1.795 53.622 52.037 -0.350 0.000 0.620 207 A CB -0.981 17.951 19.000 -0.113 0.000 0.822 207 A HN 0.612 nan 8.150 nan 0.000 0.443 208 Q N -0.655 119.010 119.800 -0.226 0.000 2.096 208 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 208 Q C 2.207 178.083 176.000 -0.207 0.000 0.982 208 Q CA 1.825 57.513 55.803 -0.191 0.000 0.850 208 Q CB -0.234 28.409 28.738 -0.158 0.000 0.901 208 Q HN 0.732 nan 8.270 nan 0.000 0.422 209 K N 0.514 120.775 120.400 -0.232 0.000 2.147 209 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 209 K C 1.705 178.148 176.600 -0.262 0.000 1.049 209 K CA 1.081 57.243 56.287 -0.207 0.000 0.936 209 K CB -0.057 32.346 32.500 -0.162 0.000 0.722 209 K HN 0.148 nan 8.250 nan 0.000 0.446 210 A N 0.154 122.714 122.820 -0.433 0.000 2.235 210 A HA 0.163 4.483 4.320 -0.000 0.000 0.208 210 A C 1.287 178.723 177.584 -0.247 0.000 1.172 210 A CA 0.880 52.674 52.037 -0.404 0.000 0.786 210 A CB -0.489 18.102 19.000 -0.681 0.000 0.804 210 A HN 0.582 nan 8.150 nan 0.000 0.479 211 G N -1.745 106.931 108.800 -0.207 0.000 2.159 211 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.256 211 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.256 211 G C 0.148 174.974 174.900 -0.123 0.000 0.977 211 G CA 0.152 45.169 45.100 -0.138 0.000 0.652 211 G HN 0.781 nan 8.290 nan 0.000 0.531 212 V N 1.488 121.306 119.914 -0.160 0.000 2.498 212 V HA 0.528 4.648 4.120 -0.000 0.000 0.279 212 V C 0.976 177.006 176.094 -0.107 0.000 1.048 212 V CA 0.177 62.404 62.300 -0.122 0.000 0.967 212 V CB 1.511 33.248 31.823 -0.144 0.000 0.988 212 V HN 0.287 nan 8.190 nan 0.000 0.473 213 T N 6.255 120.767 114.554 -0.070 0.000 2.856 213 T HA 0.465 4.815 4.350 -0.000 0.000 0.292 213 T C -0.017 174.640 174.700 -0.072 0.000 0.980 213 T CA -0.188 61.870 62.100 -0.070 0.000 1.091 213 T CB 0.482 69.325 68.868 -0.042 0.000 0.936 213 T HN 0.305 nan 8.240 nan 0.000 0.503 214 I N 3.165 123.675 120.570 -0.100 0.000 2.353 214 I HA 0.283 4.453 4.170 -0.000 0.000 0.293 214 I C 0.565 176.630 176.117 -0.085 0.000 0.992 214 I CA -0.358 60.875 61.300 -0.111 0.000 1.268 214 I CB 1.196 39.080 38.000 -0.193 0.000 1.387 214 I HN 0.527 nan 8.210 nan 0.000 0.478 215 T N 5.493 120.023 114.554 -0.040 0.000 2.786 215 T HA 0.581 4.931 4.350 -0.000 0.000 0.283 215 T C 0.104 174.823 174.700 0.032 0.000 0.992 215 T CA -0.426 61.678 62.100 0.007 0.000 0.954 215 T CB 1.549 70.452 68.868 0.058 0.000 0.934 215 T HN 0.725 nan 8.240 nan 0.000 0.440 216 A N 3.560 126.399 122.820 0.031 0.000 2.327 216 A HA 0.759 5.079 4.320 -0.000 0.000 0.283 216 A C -0.781 176.918 177.584 0.191 0.000 1.127 216 A CA -0.561 51.521 52.037 0.075 0.000 0.810 216 A CB 0.177 19.254 19.000 0.129 0.000 1.066 216 A HN 0.860 nan 8.150 nan 0.000 0.492 217 Y N -0.745 119.651 120.300 0.159 0.000 2.570 217 Y HA 0.618 5.167 4.550 -0.000 0.000 0.345 217 Y C 0.267 176.317 175.900 0.250 0.000 1.014 217 Y CA -1.269 56.934 58.100 0.171 0.000 1.063 217 Y CB 0.971 39.538 38.460 0.178 0.000 1.272 217 Y HN 0.862 nan 8.280 nan 0.000 0.477 218 S N 0.812 116.820 115.700 0.514 0.000 3.711 218 S HA -0.243 4.227 4.470 -0.000 0.000 0.374 218 S C 0.963 175.735 174.600 0.286 0.000 0.969 218 S CA 0.861 59.343 58.200 0.471 0.000 1.198 218 S CB -1.791 61.911 63.200 0.838 0.000 0.903 218 S HN 0.784 nan 8.310 nan 0.000 0.493 219 S N -0.459 115.256 115.700 0.026 0.000 2.442 219 S HA 0.006 4.476 4.470 -0.000 0.000 0.236 219 S C 0.917 175.463 174.600 -0.090 0.000 1.007 219 S CA 0.953 59.106 58.200 -0.078 0.000 0.965 219 S CB -0.207 62.793 63.200 -0.333 0.000 0.773 219 S HN 0.751 nan 8.310 nan 0.000 0.504 220 F N 1.235 121.236 119.950 0.084 0.000 2.660 220 F HA 0.284 4.811 4.527 -0.000 0.000 0.297 220 F C 1.826 177.472 175.800 -0.257 0.000 1.132 220 F CA -0.345 57.580 58.000 -0.125 0.000 1.372 220 F CB -0.304 38.681 39.000 -0.026 0.000 1.003 220 F HN 0.304 nan 8.300 nan 0.000 0.524 221 G N 2.635 111.398 108.800 -0.062 0.000 2.629 221 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.313 221 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.313 221 G C -1.138 173.569 174.900 -0.321 0.000 1.217 221 G CA 0.280 45.154 45.100 -0.376 0.000 0.994 221 G HN 0.254 nan 8.290 nan 0.000 0.549 222 P HA -0.084 nan 4.420 nan 0.000 0.220 222 P C 1.565 178.710 177.300 -0.259 0.000 1.148 222 P CA 2.004 64.498 63.100 -1.011 0.000 0.803 222 P CB -0.101 31.093 31.700 -0.843 0.000 0.782 223 Q N 1.058 120.776 119.800 -0.137 0.000 2.047 223 Q HA -0.206 4.134 4.340 -0.000 0.000 0.211 223 Q C 2.536 178.534 176.000 -0.002 0.000 1.005 223 Q CA 2.652 58.451 55.803 -0.007 0.000 0.866 223 Q CB -1.480 27.320 28.738 0.103 0.000 0.938 223 Q HN 0.188 nan 8.270 nan 0.000 0.414 224 S N -1.338 114.351 115.700 -0.017 0.000 2.400 224 S HA -0.133 4.337 4.470 -0.000 0.000 0.232 224 S C 1.393 175.717 174.600 -0.461 0.000 1.025 224 S CA 1.321 59.361 58.200 -0.267 0.000 0.993 224 S CB -0.364 62.630 63.200 -0.344 0.000 0.808 224 S HN 0.461 nan 8.310 nan 0.000 0.478 225 F N 0.567 120.481 119.950 -0.059 0.000 2.789 225 F HA 0.257 4.784 4.527 -0.000 0.000 0.300 225 F C 2.034 177.813 175.800 -0.035 0.000 1.132 225 F CA -0.106 57.889 58.000 -0.008 0.000 1.404 225 F CB -0.398 38.658 39.000 0.092 0.000 1.114 225 F HN 0.036 nan 8.300 nan 0.000 0.584 226 V N 1.324 121.265 119.914 0.046 0.000 2.261 226 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 226 V C 2.436 178.530 176.094 0.001 0.000 1.047 226 V CA 2.401 64.716 62.300 0.024 0.000 1.015 226 V CB -0.722 31.102 31.823 0.002 0.000 0.642 226 V HN 0.453 nan 8.190 nan 0.000 0.446 227 E N 0.001 120.168 120.200 -0.055 0.000 2.333 227 E HA -0.234 4.116 4.350 -0.000 0.000 0.198 227 E C 1.900 178.464 176.600 -0.059 0.000 1.007 227 E CA 1.422 57.778 56.400 -0.073 0.000 0.845 227 E CB -0.354 29.267 29.700 -0.133 0.000 0.766 227 E HN 0.592 nan 8.360 nan 0.000 0.507 228 M N 0.449 120.027 119.600 -0.037 0.000 2.595 228 M HA 0.064 4.544 4.480 -0.000 0.000 0.248 228 M C -0.113 176.238 176.300 0.085 0.000 1.119 228 M CA 0.180 55.495 55.300 0.024 0.000 1.079 228 M CB -0.065 32.590 32.600 0.092 0.000 1.472 228 M HN -0.016 nan 8.290 nan 0.000 0.501 229 N N 1.762 120.507 118.700 0.075 0.000 2.747 229 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 229 N C -0.152 175.434 175.510 0.127 0.000 1.107 229 N CA 0.662 53.763 53.050 0.084 0.000 0.707 229 N CB -1.197 37.330 38.487 0.067 0.000 1.054 229 N HN 0.615 nan 8.380 nan 0.000 0.555 230 Q N 0.215 120.121 119.800 0.176 0.000 2.297 230 Q HA 0.298 4.638 4.340 -0.000 0.000 0.267 230 Q C 1.569 177.670 176.000 0.168 0.000 1.006 230 Q CA 0.635 56.569 55.803 0.217 0.000 0.896 230 Q CB 0.512 29.440 28.738 0.317 0.000 1.186 230 Q HN 0.328 nan 8.270 nan 0.000 0.392 231 G N 4.404 113.295 108.800 0.151 0.000 2.491 231 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 231 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 231 G C 1.251 176.229 174.900 0.129 0.000 1.180 231 G CA 0.955 46.127 45.100 0.120 0.000 0.774 231 G HN 0.837 nan 8.290 nan 0.000 0.562 232 R N 0.617 121.215 120.500 0.162 0.000 2.094 232 R HA -0.095 4.245 4.340 -0.000 0.000 0.239 232 R C 2.841 179.289 176.300 0.247 0.000 1.137 232 R CA 1.879 58.093 56.100 0.190 0.000 0.943 232 R CB -0.494 29.933 30.300 0.212 0.000 0.850 232 R HN 0.307 nan 8.270 nan 0.000 0.433 233 A N 0.870 123.832 122.820 0.237 0.000 1.898 233 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 233 A C 2.247 179.852 177.584 0.035 0.000 1.181 233 A CA 1.127 53.193 52.037 0.048 0.000 0.620 233 A CB -0.489 18.502 19.000 -0.015 0.000 0.819 233 A HN 0.375 nan 8.150 nan 0.000 0.442 234 L N -0.131 121.136 121.223 0.073 0.000 2.079 234 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 234 L C 1.175 178.074 176.870 0.047 0.000 1.081 234 L CA 1.036 55.908 54.840 0.053 0.000 0.752 234 L CB -0.425 41.672 42.059 0.062 0.000 0.896 234 L HN 0.377 nan 8.230 nan 0.000 0.433 235 N N -0.775 117.961 118.700 0.061 0.000 2.313 235 N HA 0.040 4.780 4.740 -0.000 0.000 0.207 235 N C -0.194 175.337 175.510 0.036 0.000 1.141 235 N CA 0.260 53.337 53.050 0.045 0.000 0.830 235 N CB 0.369 38.883 38.487 0.045 0.000 1.008 235 N HN 0.154 nan 8.380 nan 0.000 0.481 236 T N 2.033 116.613 114.554 0.043 0.000 2.771 236 T HA 0.365 4.715 4.350 -0.000 0.000 0.281 236 T C -2.483 172.227 174.700 0.017 0.000 0.982 236 T CA -1.282 60.831 62.100 0.022 0.000 0.978 236 T CB 2.100 71.028 68.868 0.100 0.000 0.930 236 T HN -0.092 nan 8.240 nan 0.000 0.447 237 P HA 0.150 nan 4.420 nan 0.000 0.267 237 P C 0.432 177.816 177.300 0.140 0.000 1.209 237 P CA -0.297 62.840 63.100 0.063 0.000 0.763 237 P CB 0.093 31.830 31.700 0.062 0.000 0.816 238 T N 0.725 115.337 114.554 0.096 0.000 2.906 238 T HA 0.022 4.372 4.350 -0.000 0.000 0.320 238 T C 1.277 176.014 174.700 0.063 0.000 1.088 238 T CA -0.190 61.937 62.100 0.044 0.000 1.120 238 T CB 0.239 69.125 68.868 0.031 0.000 1.000 238 T HN 0.189 nan 8.240 nan 0.000 0.550 239 L N 0.937 122.053 121.223 -0.177 0.000 2.156 239 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 239 L C 2.443 179.226 176.870 -0.145 0.000 1.095 239 L CA 0.984 55.657 54.840 -0.279 0.000 0.770 239 L CB -0.425 41.313 42.059 -0.534 0.000 0.914 239 L HN 0.748 nan 8.230 nan 0.000 0.439 240 F N -0.190 119.742 119.950 -0.030 0.000 2.171 240 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 240 F C 2.349 178.143 175.800 -0.010 0.000 1.090 240 F CA 0.663 58.629 58.000 -0.056 0.000 1.293 240 F CB -0.269 38.671 39.000 -0.100 0.000 1.013 240 F HN 0.047 nan 8.300 nan 0.000 0.486 241 A N -1.810 121.128 122.820 0.196 0.000 2.307 241 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 241 A C 0.492 178.139 177.584 0.104 0.000 1.228 241 A CA -0.143 51.968 52.037 0.123 0.000 0.857 241 A CB -0.872 18.183 19.000 0.092 0.000 0.897 241 A HN 0.274 nan 8.150 nan 0.000 0.495 242 H N 0.883 119.974 119.070 0.036 0.000 2.803 242 H HA 0.050 4.606 4.556 -0.000 0.000 0.330 242 H C 0.066 175.400 175.328 0.011 0.000 1.057 242 H CA 0.101 56.164 56.048 0.026 0.000 1.458 242 H CB 0.785 30.548 29.762 0.002 0.000 1.470 242 H HN 0.269 nan 8.280 nan 0.000 0.560 243 D N 2.985 123.346 120.400 -0.065 0.000 2.149 243 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 243 D C 1.547 177.929 176.300 0.136 0.000 0.990 243 D CA 1.513 55.523 54.000 0.017 0.000 0.839 243 D CB 0.061 40.822 40.800 -0.066 0.000 0.948 243 D HN 0.601 nan 8.370 nan 0.000 0.460 244 T N 1.460 116.223 114.554 0.347 0.000 2.737 244 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 244 T C 2.040 176.792 174.700 0.088 0.000 1.038 244 T CA 0.436 62.649 62.100 0.189 0.000 1.144 244 T CB 0.070 69.022 68.868 0.141 0.000 0.866 244 T HN 0.073 nan 8.240 nan 0.000 0.434 245 I N 1.374 121.992 120.570 0.081 0.000 2.202 245 I HA -0.082 4.088 4.170 -0.000 0.000 0.242 245 I C 2.338 178.489 176.117 0.056 0.000 1.091 245 I CA 1.413 62.723 61.300 0.017 0.000 1.368 245 I CB -1.044 36.946 38.000 -0.017 0.000 1.058 245 I HN 0.266 nan 8.210 nan 0.000 0.410 246 K N 0.902 121.345 120.400 0.072 0.000 2.044 246 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 246 K C 2.232 178.846 176.600 0.023 0.000 1.049 246 K CA 1.774 58.089 56.287 0.046 0.000 0.927 246 K CB -0.239 32.285 32.500 0.040 0.000 0.713 246 K HN 0.314 nan 8.250 nan 0.000 0.443 247 A N 1.608 124.443 122.820 0.025 0.000 1.865 247 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 247 A C 2.131 179.706 177.584 -0.016 0.000 1.191 247 A CA 1.515 53.552 52.037 0.000 0.000 0.623 247 A CB -0.684 18.320 19.000 0.008 0.000 0.826 247 A HN 0.213 nan 8.150 nan 0.000 0.444 248 I N -0.367 120.215 120.570 0.020 0.000 2.286 248 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 248 I C 2.931 179.099 176.117 0.085 0.000 1.115 248 I CA 0.953 62.287 61.300 0.058 0.000 1.392 248 I CB -0.345 37.737 38.000 0.136 0.000 1.065 248 I HN 0.395 nan 8.210 nan 0.000 0.418 249 A N 0.806 123.663 122.820 0.062 0.000 1.873 249 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 249 A C 2.568 180.131 177.584 -0.036 0.000 1.186 249 A CA 1.762 53.818 52.037 0.031 0.000 0.616 249 A CB -0.792 18.223 19.000 0.026 0.000 0.823 249 A HN 0.412 nan 8.150 nan 0.000 0.442 250 A N -0.110 122.681 122.820 -0.048 0.000 1.902 250 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 250 A C 2.133 179.643 177.584 -0.122 0.000 1.181 250 A CA 2.002 53.997 52.037 -0.071 0.000 0.623 250 A CB -0.503 18.463 19.000 -0.056 0.000 0.818 250 A HN 0.561 nan 8.150 nan 0.000 0.443 251 K N -1.838 118.449 120.400 -0.187 0.000 2.160 251 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 251 K C 0.975 177.275 176.600 -0.499 0.000 1.047 251 K CA 1.829 57.901 56.287 -0.357 0.000 0.930 251 K CB -0.235 31.980 32.500 -0.476 0.000 0.720 251 K HN 0.580 nan 8.250 nan 0.000 0.450 252 Y N -0.283 119.951 120.300 -0.109 0.000 2.467 252 Y HA 0.175 4.725 4.550 -0.000 0.000 0.250 252 Y C -0.023 175.737 175.900 -0.233 0.000 1.155 252 Y CA -0.308 57.679 58.100 -0.188 0.000 1.249 252 Y CB 0.199 38.435 38.460 -0.374 0.000 1.146 252 Y HN 0.164 nan 8.280 nan 0.000 0.524 253 N N 1.582 120.230 118.700 -0.087 0.000 2.648 253 N HA -0.193 4.547 4.740 -0.000 0.000 0.265 253 N C -1.389 174.050 175.510 -0.119 0.000 1.100 253 N CA 0.442 53.442 53.050 -0.084 0.000 0.715 253 N CB -0.587 37.867 38.487 -0.056 0.000 0.881 253 N HN 0.100 nan 8.380 nan 0.000 0.548 254 K N -0.432 119.884 120.400 -0.140 0.000 2.495 254 K HA 0.522 4.842 4.320 -0.000 0.000 0.268 254 K C 0.125 176.684 176.600 -0.068 0.000 1.008 254 K CA -0.313 55.884 56.287 -0.150 0.000 0.882 254 K CB 0.571 32.853 32.500 -0.362 0.000 1.443 254 K HN 0.332 nan 8.250 nan 0.000 0.447 255 T N -1.931 112.605 114.554 -0.030 0.000 2.828 255 T HA 0.224 4.574 4.350 -0.000 0.000 0.290 255 T C -1.847 172.860 174.700 0.011 0.000 1.019 255 T CA -1.216 60.866 62.100 -0.031 0.000 1.031 255 T CB 0.879 69.715 68.868 -0.052 0.000 1.001 255 T HN 0.109 nan 8.240 nan 0.000 0.531 256 P HA -0.021 nan 4.420 nan 0.000 0.216 256 P C 1.700 179.096 177.300 0.159 0.000 1.150 256 P CA 1.454 64.613 63.100 0.098 0.000 0.837 256 P CB -0.299 31.494 31.700 0.155 0.000 0.786 257 A N 0.132 122.987 122.820 0.058 0.000 1.883 257 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 257 A C 2.145 179.881 177.584 0.253 0.000 1.186 257 A CA 1.852 53.948 52.037 0.098 0.000 0.624 257 A CB -1.317 17.549 19.000 -0.224 0.000 0.822 257 A HN 0.190 nan 8.150 nan 0.000 0.444 258 E N -0.593 119.724 120.200 0.195 0.000 2.118 258 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 258 E C 1.959 178.764 176.600 0.342 0.000 0.992 258 E CA 1.238 57.806 56.400 0.281 0.000 0.804 258 E CB -0.244 29.640 29.700 0.308 0.000 0.741 258 E HN 0.408 nan 8.360 nan 0.000 0.458 259 V N 1.213 121.321 119.914 0.323 0.000 2.358 259 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 259 V C 2.228 178.466 176.094 0.239 0.000 1.047 259 V CA 1.352 63.865 62.300 0.356 0.000 1.035 259 V CB -0.315 31.660 31.823 0.252 0.000 0.658 259 V HN 0.257 nan 8.190 nan 0.000 0.452 260 L N -0.815 120.538 121.223 0.217 0.000 2.083 260 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 260 L C 2.316 179.313 176.870 0.213 0.000 1.083 260 L CA 1.451 56.422 54.840 0.220 0.000 0.752 260 L CB -0.469 41.791 42.059 0.336 0.000 0.899 260 L HN 0.302 nan 8.230 nan 0.000 0.433 261 L N -0.922 120.310 121.223 0.015 0.000 2.131 261 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 261 L C 2.756 179.371 176.870 -0.425 0.000 1.087 261 L CA 0.563 55.150 54.840 -0.422 0.000 0.767 261 L CB -0.336 41.050 42.059 -1.121 0.000 0.917 261 L HN 0.175 nan 8.230 nan 0.000 0.441 262 R N -0.028 120.343 120.500 -0.216 0.000 2.092 262 R HA -0.233 4.107 4.340 -0.000 0.000 0.231 262 R C 2.029 178.403 176.300 0.124 0.000 1.119 262 R CA 1.411 57.544 56.100 0.054 0.000 0.970 262 R CB -0.883 29.351 30.300 -0.111 0.000 0.864 262 R HN 0.408 nan 8.270 nan 0.000 0.440 263 W N 0.507 121.802 121.300 -0.008 0.000 2.321 263 W HA -0.212 4.448 4.660 -0.000 0.000 0.306 263 W C 1.755 178.392 176.519 0.197 0.000 1.217 263 W CA 2.579 59.987 57.345 0.105 0.000 1.257 263 W CB -0.538 28.962 29.460 0.067 0.000 1.145 263 W HN 0.191 nan 8.180 nan 0.000 0.509 264 A N 0.295 123.169 122.820 0.089 0.000 1.861 264 A HA 0.150 4.470 4.320 -0.000 0.000 0.212 264 A C 2.120 179.669 177.584 -0.059 0.000 1.199 264 A CA 1.973 53.942 52.037 -0.113 0.000 0.613 264 A CB -1.535 17.501 19.000 0.061 0.000 0.846 264 A HN 0.385 nan 8.150 nan 0.000 0.446 265 A N -0.581 122.278 122.820 0.065 0.000 1.917 265 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 265 A C 2.164 179.773 177.584 0.042 0.000 1.182 265 A CA 1.994 54.101 52.037 0.117 0.000 0.633 265 A CB -0.704 18.520 19.000 0.373 0.000 0.819 265 A HN 0.641 nan 8.150 nan 0.000 0.448 266 Q N -0.791 119.040 119.800 0.052 0.000 2.291 266 Q HA -0.090 4.250 4.340 -0.000 0.000 0.206 266 Q C 1.510 177.489 176.000 -0.035 0.000 0.976 266 Q CA 1.018 56.842 55.803 0.034 0.000 0.875 266 Q CB -0.011 28.808 28.738 0.135 0.000 0.927 266 Q HN 0.646 nan 8.270 nan 0.000 0.450 267 R N -1.305 119.128 120.500 -0.112 0.000 2.426 267 R HA 0.133 4.472 4.340 -0.000 0.000 0.263 267 R C 0.631 176.822 176.300 -0.181 0.000 0.961 267 R CA 0.480 56.449 56.100 -0.218 0.000 1.086 267 R CB 0.543 30.628 30.300 -0.358 0.000 1.186 267 R HN 0.356 nan 8.270 nan 0.000 0.537 268 G N 1.407 110.134 108.800 -0.122 0.000 2.143 268 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.248 268 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.248 268 G C 0.113 174.945 174.900 -0.114 0.000 0.991 268 G CA -0.185 44.851 45.100 -0.106 0.000 0.689 268 G HN 0.278 nan 8.290 nan 0.000 0.522 269 I N 1.421 121.916 120.570 -0.124 0.000 2.315 269 I HA 0.562 4.732 4.170 -0.000 0.000 0.291 269 I C 1.030 177.114 176.117 -0.054 0.000 1.006 269 I CA -0.446 60.775 61.300 -0.131 0.000 1.265 269 I CB 1.533 39.402 38.000 -0.218 0.000 1.387 269 I HN 0.287 nan 8.210 nan 0.000 0.475 270 A N 6.719 129.511 122.820 -0.046 0.000 2.425 270 A HA 0.559 4.879 4.320 -0.000 0.000 0.242 270 A C -0.103 177.500 177.584 0.032 0.000 1.077 270 A CA -0.268 51.765 52.037 -0.007 0.000 0.781 270 A CB 0.485 19.464 19.000 -0.035 0.000 1.020 270 A HN 0.647 nan 8.150 nan 0.000 0.494 271 V N -0.420 119.541 119.914 0.078 0.000 3.040 271 V HA 0.789 4.909 4.120 -0.000 0.000 0.312 271 V C -0.298 175.865 176.094 0.116 0.000 1.115 271 V CA -0.551 61.806 62.300 0.095 0.000 0.998 271 V CB 1.765 33.644 31.823 0.094 0.000 1.042 271 V HN 1.077 nan 8.190 nan 0.000 0.433 272 I N -0.872 119.763 120.570 0.107 0.000 2.908 272 I HA 0.496 4.666 4.170 -0.000 0.000 0.319 272 I C -2.601 173.563 176.117 0.078 0.000 1.471 272 I CA -1.530 59.841 61.300 0.119 0.000 0.809 272 I CB 1.191 39.260 38.000 0.116 0.000 2.186 272 I HN 0.455 nan 8.210 nan 0.000 0.607 273 P HA 0.021 nan 4.420 nan 0.000 0.267 273 P C -0.695 176.619 177.300 0.023 0.000 1.200 273 P CA 0.214 63.337 63.100 0.039 0.000 0.772 273 P CB 1.339 33.114 31.700 0.124 0.000 0.855 274 K N 1.666 122.048 120.400 -0.031 0.000 2.259 274 K HA 0.539 4.859 4.320 -0.000 0.000 0.252 274 K C -1.347 175.248 176.600 -0.008 0.000 0.936 274 K CA -0.604 55.556 56.287 -0.213 0.000 0.810 274 K CB 1.499 33.843 32.500 -0.260 0.000 1.143 274 K HN 0.492 nan 8.250 nan 0.000 0.427 275 S N 2.894 118.611 115.700 0.028 0.000 2.563 275 S HA 0.249 4.719 4.470 -0.000 0.000 0.279 275 S C -0.371 174.333 174.600 0.173 0.000 1.155 275 S CA -0.669 57.609 58.200 0.130 0.000 0.928 275 S CB 0.760 64.075 63.200 0.191 0.000 1.107 275 S HN 0.774 nan 8.310 nan 0.000 0.462 276 N N 2.646 121.404 118.700 0.096 0.000 2.515 276 N HA 0.180 4.920 4.740 -0.000 0.000 0.185 276 N C -0.208 175.355 175.510 0.088 0.000 1.109 276 N CA 0.491 53.597 53.050 0.093 0.000 0.903 276 N CB -0.003 38.505 38.487 0.035 0.000 0.969 276 N HN 0.466 nan 8.380 nan 0.000 0.450 277 L N 0.493 121.768 121.223 0.087 0.000 2.295 277 L HA 0.335 4.675 4.340 -0.000 0.000 0.285 277 L C -1.667 175.252 176.870 0.081 0.000 1.035 277 L CA -2.010 52.870 54.840 0.067 0.000 0.806 277 L CB 1.391 43.474 42.059 0.040 0.000 1.214 277 L HN -0.260 nan 8.230 nan 0.000 0.426 278 P HA -0.231 nan 4.420 nan 0.000 0.214 278 P C 1.363 178.708 177.300 0.076 0.000 1.163 278 P CA 1.155 64.293 63.100 0.063 0.000 0.889 278 P CB 0.315 32.043 31.700 0.046 0.000 0.790 279 E N -0.160 120.076 120.200 0.060 0.000 2.085 279 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 279 E C 2.083 178.735 176.600 0.085 0.000 0.994 279 E CA 1.138 57.573 56.400 0.059 0.000 0.801 279 E CB -0.165 29.554 29.700 0.032 0.000 0.743 279 E HN 0.094 nan 8.360 nan 0.000 0.453 280 R N 0.007 120.560 120.500 0.088 0.000 2.092 280 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 280 R C 2.589 179.014 176.300 0.209 0.000 1.119 280 R CA 1.046 57.219 56.100 0.122 0.000 0.970 280 R CB -0.426 29.931 30.300 0.096 0.000 0.864 280 R HN 0.213 nan 8.270 nan 0.000 0.440 281 L N 0.833 122.179 121.223 0.206 0.000 1.997 281 L HA -0.226 4.114 4.340 -0.000 0.000 0.216 281 L C 2.063 179.149 176.870 0.360 0.000 1.074 281 L CA 1.773 56.775 54.840 0.271 0.000 0.763 281 L CB -0.384 41.767 42.059 0.154 0.000 0.890 281 L HN -0.067 nan 8.230 nan 0.000 0.434 282 V N -0.778 119.273 119.914 0.228 0.000 2.307 282 V HA -0.297 3.823 4.120 -0.000 0.000 0.245 282 V C 2.516 178.715 176.094 0.175 0.000 1.045 282 V CA 2.006 64.411 62.300 0.176 0.000 1.024 282 V CB -0.712 31.174 31.823 0.105 0.000 0.651 282 V HN 0.548 nan 8.190 nan 0.000 0.449 283 Q N 0.111 120.021 119.800 0.184 0.000 2.124 283 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 283 Q C 2.022 178.219 176.000 0.328 0.000 0.977 283 Q CA 1.494 57.421 55.803 0.206 0.000 0.850 283 Q CB -0.261 28.575 28.738 0.164 0.000 0.901 283 Q HN 0.589 nan 8.270 nan 0.000 0.429 284 N N 0.653 119.579 118.700 0.377 0.000 2.520 284 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 284 N C 1.049 176.902 175.510 0.572 0.000 1.068 284 N CA 0.953 54.307 53.050 0.505 0.000 0.911 284 N CB 0.024 38.810 38.487 0.499 0.000 0.961 284 N HN 0.374 nan 8.380 nan 0.000 0.446 285 R N -1.844 118.840 120.500 0.307 0.000 2.535 285 R HA 0.359 4.699 4.340 -0.000 0.000 0.323 285 R C 0.188 176.387 176.300 -0.168 0.000 0.979 285 R CA -0.047 56.043 56.100 -0.016 0.000 1.120 285 R CB 0.212 30.276 30.300 -0.394 0.000 1.306 285 R HN -0.158 nan 8.270 nan 0.000 0.540 286 S N 0.736 116.427 115.700 -0.015 0.000 2.749 286 S HA 0.109 4.578 4.470 -0.000 0.000 0.246 286 S C 0.427 175.028 174.600 0.002 0.000 1.023 286 S CA -0.727 57.435 58.200 -0.063 0.000 1.012 286 S CB -0.018 63.195 63.200 0.022 0.000 0.942 286 S HN 0.481 nan 8.310 nan 0.000 0.531 287 F N 0.813 120.837 119.950 0.123 0.000 2.502 287 F HA 0.295 4.822 4.527 -0.000 0.000 0.298 287 F C 0.516 176.421 175.800 0.175 0.000 1.111 287 F CA -0.098 58.026 58.000 0.206 0.000 1.445 287 F CB -0.680 38.461 39.000 0.236 0.000 1.081 287 F HN -0.008 nan 8.300 nan 0.000 0.558 288 N N 1.896 120.404 118.700 -0.321 0.000 2.971 288 N HA 0.030 4.769 4.740 -0.000 0.000 0.294 288 N C 0.583 176.070 175.510 -0.039 0.000 1.210 288 N CA 0.910 53.848 53.050 -0.188 0.000 1.157 288 N CB -0.126 38.172 38.487 -0.315 0.000 1.450 288 N HN 0.554 nan 8.380 nan 0.000 0.527 289 T N -2.688 111.953 114.554 0.145 0.000 3.209 289 T HA 0.267 4.617 4.350 -0.000 0.000 0.295 289 T C -0.052 174.838 174.700 0.316 0.000 0.977 289 T CA -0.439 61.780 62.100 0.199 0.000 0.922 289 T CB -0.394 68.604 68.868 0.217 0.000 1.152 289 T HN 0.179 nan 8.240 nan 0.000 0.527 290 F N -1.097 118.828 119.950 -0.042 0.000 2.741 290 F HA 0.818 5.345 4.527 -0.000 0.000 0.311 290 F C -2.252 173.440 175.800 -0.180 0.000 1.149 290 F CA -1.570 56.355 58.000 -0.126 0.000 0.930 290 F CB 0.612 39.487 39.000 -0.208 0.000 1.312 290 F HN -0.217 nan 8.300 nan 0.000 0.450 291 D N 2.123 122.345 120.400 -0.297 0.000 2.481 291 D HA 0.530 5.170 4.640 -0.000 0.000 0.244 291 D C -0.622 175.457 176.300 -0.368 0.000 1.057 291 D CA -0.227 53.572 54.000 -0.335 0.000 0.848 291 D CB 2.825 43.559 40.800 -0.111 0.000 1.388 291 D HN 0.573 nan 8.370 nan 0.000 0.475 292 L N 1.219 122.231 121.223 -0.352 0.000 2.395 292 L HA 0.284 4.624 4.340 -0.000 0.000 0.269 292 L C 1.371 178.171 176.870 -0.117 0.000 1.133 292 L CA -0.310 54.329 54.840 -0.335 0.000 0.812 292 L CB 0.837 42.451 42.059 -0.742 0.000 1.125 292 L HN 0.438 nan 8.230 nan 0.000 0.452 293 T N -1.838 112.725 114.554 0.014 0.000 2.862 293 T HA 0.181 4.531 4.350 -0.000 0.000 0.276 293 T C 0.894 175.719 174.700 0.209 0.000 0.974 293 T CA -0.775 61.407 62.100 0.135 0.000 0.966 293 T CB 1.354 70.316 68.868 0.157 0.000 1.072 293 T HN 0.653 nan 8.240 nan 0.000 0.538 294 K N 0.118 120.670 120.400 0.253 0.000 2.103 294 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 294 K C 1.822 178.566 176.600 0.241 0.000 1.048 294 K CA 1.670 58.133 56.287 0.293 0.000 0.930 294 K CB -0.174 32.431 32.500 0.175 0.000 0.716 294 K HN 0.642 nan 8.250 nan 0.000 0.444 295 E N 1.038 121.335 120.200 0.161 0.000 2.106 295 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 295 E C 1.671 178.341 176.600 0.116 0.000 0.984 295 E CA 1.351 57.825 56.400 0.124 0.000 0.806 295 E CB -0.155 29.600 29.700 0.092 0.000 0.750 295 E HN 0.349 nan 8.360 nan 0.000 0.458 296 D N -0.119 120.333 120.400 0.087 0.000 2.092 296 D HA -0.157 4.483 4.640 -0.000 0.000 0.193 296 D C 1.714 178.031 176.300 0.028 0.000 0.994 296 D CA 0.965 54.975 54.000 0.016 0.000 0.828 296 D CB -0.355 40.404 40.800 -0.069 0.000 0.963 296 D HN 0.150 nan 8.370 nan 0.000 0.450 297 F N 1.581 121.634 119.950 0.172 0.000 2.126 297 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 297 F C 2.446 178.340 175.800 0.157 0.000 1.096 297 F CA 0.970 59.096 58.000 0.209 0.000 1.255 297 F CB -0.524 38.577 39.000 0.167 0.000 0.997 297 F HN 0.012 nan 8.300 nan 0.000 0.479 298 E N -0.289 120.088 120.200 0.295 0.000 2.110 298 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 298 E C 2.126 178.806 176.600 0.133 0.000 0.988 298 E CA 1.155 57.667 56.400 0.186 0.000 0.804 298 E CB -0.178 29.606 29.700 0.140 0.000 0.745 298 E HN 0.344 nan 8.360 nan 0.000 0.458 299 E N 0.704 120.969 120.200 0.108 0.000 2.072 299 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 299 E C 2.190 178.807 176.600 0.028 0.000 0.985 299 E CA 0.717 57.155 56.400 0.063 0.000 0.801 299 E CB -0.120 29.609 29.700 0.049 0.000 0.750 299 E HN 0.344 nan 8.360 nan 0.000 0.452 300 I N 1.132 121.714 120.570 0.019 0.000 2.252 300 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 300 I C 2.454 178.550 176.117 -0.034 0.000 1.102 300 I CA 0.942 62.179 61.300 -0.104 0.000 1.385 300 I CB -0.383 37.503 38.000 -0.190 0.000 1.064 300 I HN -0.018 nan 8.210 nan 0.000 0.414 301 A N 0.954 123.854 122.820 0.133 0.000 2.032 301 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 301 A C 2.230 179.856 177.584 0.070 0.000 1.165 301 A CA 1.770 53.896 52.037 0.148 0.000 0.645 301 A CB -0.553 18.552 19.000 0.174 0.000 0.807 301 A HN 0.389 nan 8.150 nan 0.000 0.453 302 K N -0.283 120.145 120.400 0.047 0.000 2.280 302 K HA 0.013 4.333 4.320 -0.000 0.000 0.202 302 K C 1.404 178.025 176.600 0.034 0.000 1.047 302 K CA 0.963 57.276 56.287 0.043 0.000 0.942 302 K CB -0.276 32.255 32.500 0.051 0.000 0.739 302 K HN 0.530 nan 8.250 nan 0.000 0.457 303 L N 0.744 121.955 121.223 -0.021 0.000 2.478 303 L HA -0.022 4.318 4.340 -0.000 0.000 0.223 303 L C 0.525 177.446 176.870 0.085 0.000 1.140 303 L CA 0.238 55.075 54.840 -0.005 0.000 0.842 303 L CB -0.626 41.289 42.059 -0.240 0.000 0.953 303 L HN 0.119 nan 8.230 nan 0.000 0.452 304 D N 1.853 122.281 120.400 0.046 0.000 2.402 304 D HA 0.004 4.644 4.640 -0.000 0.000 0.268 304 D C 0.931 177.265 176.300 0.057 0.000 1.294 304 D CA 0.379 54.415 54.000 0.060 0.000 0.945 304 D CB 0.399 41.230 40.800 0.052 0.000 1.112 304 D HN 0.346 nan 8.370 nan 0.000 0.517 305 I N 0.341 120.949 120.570 0.064 0.000 4.102 305 I HA 0.391 4.561 4.170 -0.000 0.000 0.325 305 I C 1.089 177.183 176.117 -0.038 0.000 1.471 305 I CA -0.550 60.755 61.300 0.009 0.000 1.133 305 I CB 0.157 38.153 38.000 -0.008 0.000 1.184 305 I HN 0.425 nan 8.210 nan 0.000 0.451 306 G N 2.992 111.768 108.800 -0.041 0.000 2.323 306 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.292 306 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.292 306 G C -0.327 174.479 174.900 -0.155 0.000 1.040 306 G CA 0.443 45.484 45.100 -0.099 0.000 0.942 306 G HN 0.461 nan 8.290 nan 0.000 0.506 307 L N 0.506 121.636 121.223 -0.155 0.000 2.261 307 L HA 0.667 5.007 4.340 -0.000 0.000 0.289 307 L C 0.566 177.133 176.870 -0.504 0.000 1.059 307 L CA -0.943 53.704 54.840 -0.322 0.000 0.816 307 L CB 0.802 42.658 42.059 -0.338 0.000 1.191 307 L HN 0.301 nan 8.230 nan 0.000 0.431 308 R N 4.038 124.214 120.500 -0.540 0.000 2.295 308 R HA 0.297 4.637 4.340 -0.000 0.000 0.324 308 R C -0.303 175.643 176.300 -0.589 0.000 0.968 308 R CA -0.416 55.384 56.100 -0.501 0.000 0.837 308 R CB 0.652 30.735 30.300 -0.362 0.000 1.133 308 R HN 0.649 nan 8.270 nan 0.000 0.450 309 F N 1.322 121.182 119.950 -0.150 0.000 2.619 309 F HA 0.182 4.709 4.527 -0.000 0.000 0.293 309 F C 0.868 176.411 175.800 -0.429 0.000 1.119 309 F CA -0.070 57.652 58.000 -0.464 0.000 1.445 309 F CB 0.125 38.511 39.000 -1.023 0.000 1.119 309 F HN 0.419 nan 8.300 nan 0.000 0.573 310 N N 0.900 119.638 118.700 0.063 0.000 2.816 310 N HA 0.108 4.848 4.740 -0.000 0.000 0.236 310 N C -1.780 173.985 175.510 0.425 0.000 1.076 310 N CA -0.077 53.250 53.050 0.461 0.000 0.902 310 N CB 0.038 39.018 38.487 0.822 0.000 1.149 310 N HN -0.118 nan 8.380 nan 0.000 0.506 311 D N 2.821 123.419 120.400 0.330 0.000 2.505 311 D HA 0.380 5.020 4.640 -0.000 0.000 0.250 311 D C -2.003 174.230 176.300 -0.112 0.000 1.164 311 D CA -2.141 52.000 54.000 0.234 0.000 0.870 311 D CB 2.194 43.102 40.800 0.181 0.000 1.160 311 D HN 0.202 nan 8.370 nan 0.000 0.549 312 P HA -0.084 nan 4.420 nan 0.000 0.221 312 P C 1.390 178.282 177.300 -0.682 0.000 1.145 312 P CA 0.554 62.745 63.100 -1.514 0.000 0.795 312 P CB 0.052 31.002 31.700 -1.250 0.000 0.775 313 W N 1.177 122.254 121.300 -0.371 0.000 2.350 313 W HA -0.164 4.496 4.660 -0.000 0.000 0.289 313 W C 0.708 177.145 176.519 -0.137 0.000 1.215 313 W CA 1.455 58.674 57.345 -0.210 0.000 1.236 313 W CB -0.331 29.067 29.460 -0.105 0.000 1.130 313 W HN 0.023 nan 8.180 nan 0.000 0.541 314 D N -0.427 119.981 120.400 0.013 0.000 2.178 314 D HA -0.177 4.463 4.640 -0.000 0.000 0.202 314 D C 1.835 178.178 176.300 0.070 0.000 0.974 314 D CA 1.380 55.432 54.000 0.086 0.000 0.841 314 D CB -0.983 39.976 40.800 0.265 0.000 0.953 314 D HN 0.222 nan 8.370 nan 0.000 0.478 315 W N 0.912 122.066 121.300 -0.244 0.000 2.413 315 W HA 0.004 4.664 4.660 -0.000 0.000 0.315 315 W C 1.112 177.192 176.519 -0.731 0.000 1.186 315 W CA 0.578 57.628 57.345 -0.492 0.000 1.326 315 W CB -0.886 28.153 29.460 -0.701 0.000 1.153 315 W HN 0.012 nan 8.180 nan 0.000 0.489 316 D N -2.140 117.916 120.400 -0.573 0.000 3.120 316 D HA 0.050 4.690 4.640 -0.000 0.000 0.331 316 D C -0.652 175.260 176.300 -0.647 0.000 1.595 316 D CA -0.157 53.429 54.000 -0.690 0.000 0.771 316 D CB -1.096 39.004 40.800 -1.166 0.000 1.274 316 D HN 0.063 nan 8.370 nan 0.000 0.503 317 N N 0.727 118.883 118.700 -0.908 0.000 2.725 317 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 317 N C -0.547 174.461 175.510 -0.837 0.000 1.031 317 N CA 0.318 52.415 53.050 -1.588 0.000 0.720 317 N CB -0.728 36.824 38.487 -1.559 0.000 0.930 317 N HN 0.456 nan 8.380 nan 0.000 0.543 318 I N 1.457 121.744 120.570 -0.472 0.000 2.352 318 I HA 0.128 4.298 4.170 -0.000 0.000 0.290 318 I C -1.111 174.995 176.117 -0.018 0.000 1.036 318 I CA -1.772 59.354 61.300 -0.289 0.000 1.336 318 I CB 0.757 38.538 38.000 -0.366 0.000 1.407 318 I HN -0.042 nan 8.210 nan 0.000 0.497 319 P HA -0.022 nan 4.420 nan 0.000 0.271 319 P C 1.169 178.389 177.300 -0.133 0.000 1.535 319 P CA 0.195 63.343 63.100 0.079 0.000 0.820 319 P CB 0.049 31.776 31.700 0.045 0.000 1.606 320 I N -0.750 119.652 120.570 -0.280 0.000 2.208 320 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 320 I C 1.408 177.161 176.117 -0.607 0.000 1.097 320 I CA 1.496 62.460 61.300 -0.560 0.000 1.363 320 I CB -1.434 36.034 38.000 -0.887 0.000 1.051 320 I HN -0.025 nan 8.210 nan 0.000 0.413 321 F N 0.578 120.483 119.950 -0.075 0.000 2.837 321 F HA 0.280 4.807 4.527 -0.000 0.000 0.298 321 F C 0.538 176.251 175.800 -0.146 0.000 1.161 321 F CA -0.667 57.277 58.000 -0.094 0.000 1.353 321 F CB -0.536 38.419 39.000 -0.075 0.000 0.951 321 F HN -0.189 nan 8.300 nan 0.000 0.508 322 V N 0.000 119.879 119.914 -0.058 0.000 2.409 322 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 322 V CA 0.000 62.215 62.300 -0.142 0.000 1.235 322 V CB 0.000 31.650 31.823 -0.288 0.000 1.184 322 V HN 0.000 nan 8.190 nan 0.000 0.556