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 3chx_1_E DATA FIRST_RESID 40 DATA SEQUENCE HGEKSQQAFL RMRTLNWYDV KWSKTSLNVN ESMVLSGKVH VFSAWPQAVA DATA SEQUENCE NPKSSFLNAG EPGPVLVRTA QFIGEQFAPR SVSLEVGKDY AFSIDLKARR DATA SEQUENCE AGRWHVHAQI NVEGGGPIIG PGQWIEIKGD MADFKDPVTL LDGTTVDLET DATA SEQUENCE YGIDRIYAWH FPWMIAAAAW ILYWFFKKGI IASYLRISEG KDEEQIGDDD DATA SEQUENCE RRVGAIVLAV TILATIIGYA VTNSTFPRTI PLQAGLQKPL TPIIXXXXXX DATA SEQUENCE XXXXXVTAEL KGGVYKVPGR ELTIQVKVXX XXXXXXXXGE YTAAGLRFLN DATA SEQUENCE PDVFTTKXXX XDYLLADRGL STDPTPLAPG ETKTIEVKVQ DARWDIERLS DATA SEQUENCE DLAYDTDSQI GGLLMFFSPS GKRYATEIGG PVIPKFV 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 40 H HA 0.000 nan 4.556 nan 0.000 0.296 40 H C 0.000 175.325 175.328 -0.005 0.000 0.993 40 H CA 0.000 56.029 56.048 -0.032 0.000 1.023 40 H CB 0.000 29.749 29.762 -0.022 0.000 1.292 41 G N 0.569 109.420 108.800 0.086 0.000 2.286 41 G HA2 0.095 4.055 3.960 -0.000 0.000 0.118 41 G HA3 0.095 4.055 3.960 -0.000 0.000 0.118 41 G C -0.432 174.455 174.900 -0.021 0.000 1.267 41 G CA -0.067 45.037 45.100 0.007 0.000 1.171 41 G HN 0.441 nan 8.290 nan 0.000 0.465 42 E N 0.664 120.813 120.200 -0.086 0.000 4.063 42 E HA -0.398 3.952 4.350 -0.000 0.000 0.235 42 E C 1.058 177.619 176.600 -0.066 0.000 1.571 42 E CA 1.951 58.285 56.400 -0.108 0.000 2.590 42 E CB -0.831 28.773 29.700 -0.160 0.000 2.139 42 E HN 1.508 nan 8.360 nan 0.000 0.398 43 K N -1.890 118.462 120.400 -0.079 0.000 10.031 43 K HA -0.287 4.033 4.320 -0.000 0.000 0.514 43 K C 1.052 177.615 176.600 -0.061 0.000 0.374 43 K CA 2.130 58.380 56.287 -0.061 0.000 1.951 43 K CB -1.762 30.729 32.500 -0.015 0.000 0.736 43 K HN 0.565 nan 8.250 nan 0.000 1.121 44 S N 2.455 118.129 115.700 -0.042 0.000 4.175 44 S HA 0.067 4.537 4.470 -0.000 0.000 0.193 44 S C -0.738 173.834 174.600 -0.047 0.000 1.373 44 S CA 0.083 58.264 58.200 -0.031 0.000 0.908 44 S CB -0.341 62.848 63.200 -0.018 0.000 1.547 44 S HN 0.223 nan 8.310 nan 0.000 0.440 45 Q N 2.712 122.473 119.800 -0.064 0.000 3.345 45 Q HA 0.057 4.397 4.340 -0.000 0.000 0.204 45 Q C -0.992 174.957 176.000 -0.085 0.000 0.847 45 Q CA -0.409 55.346 55.803 -0.079 0.000 0.780 45 Q CB 0.928 29.605 28.738 -0.103 0.000 1.426 45 Q HN 0.770 nan 8.270 nan 0.000 0.460 46 Q N 0.179 119.943 119.800 -0.060 0.000 3.448 46 Q HA -0.101 4.239 4.340 -0.000 0.000 0.375 46 Q C 0.867 176.834 176.000 -0.055 0.000 1.050 46 Q CA 0.755 56.532 55.803 -0.044 0.000 1.262 46 Q CB 0.079 28.826 28.738 0.014 0.000 0.969 46 Q HN 0.655 nan 8.270 nan 0.000 0.434 47 A N 5.859 128.634 122.820 -0.075 0.000 1.891 47 A HA -0.340 3.980 4.320 -0.000 0.000 0.221 47 A C 1.457 179.060 177.584 0.031 0.000 1.394 47 A CA 2.127 54.124 52.037 -0.067 0.000 0.730 47 A CB -1.333 17.590 19.000 -0.129 0.000 0.845 47 A HN 1.116 nan 8.150 nan 0.000 0.471 48 F N -0.169 119.720 119.950 -0.101 0.000 2.282 48 F HA -0.429 4.097 4.527 -0.000 0.000 0.265 48 F C 1.955 177.711 175.800 -0.072 0.000 1.139 48 F CA 2.369 60.329 58.000 -0.067 0.000 1.505 48 F CB -0.600 38.376 39.000 -0.039 0.000 0.829 48 F HN 0.288 nan 8.300 nan 0.000 0.496 49 L N -0.091 120.950 121.223 -0.304 0.000 2.044 49 L HA -0.175 4.165 4.340 -0.000 0.000 0.205 49 L C 2.604 179.343 176.870 -0.217 0.000 1.075 49 L CA 1.585 56.162 54.840 -0.438 0.000 0.747 49 L CB -0.873 40.826 42.059 -0.601 0.000 0.903 49 L HN 0.252 nan 8.230 nan 0.000 0.435 50 R N 0.365 120.767 120.500 -0.163 0.000 2.226 50 R HA -0.208 4.132 4.340 -0.000 0.000 0.246 50 R C 1.984 178.236 176.300 -0.079 0.000 1.161 50 R CA 1.473 57.501 56.100 -0.121 0.000 0.997 50 R CB -0.092 30.139 30.300 -0.117 0.000 0.870 50 R HN 0.303 nan 8.270 nan 0.000 0.465 51 M N -0.540 119.028 119.600 -0.054 0.000 2.419 51 M HA 0.136 4.616 4.480 -0.000 0.000 0.252 51 M C 0.222 176.457 176.300 -0.108 0.000 1.143 51 M CA 0.437 55.711 55.300 -0.044 0.000 0.985 51 M CB 0.569 33.172 32.600 0.006 0.000 1.489 51 M HN -0.020 nan 8.290 nan 0.000 0.484 52 R N -2.062 118.386 120.500 -0.087 0.000 2.527 52 R HA 0.122 4.462 4.340 -0.000 0.000 0.402 52 R C 1.266 177.540 176.300 -0.042 0.000 0.933 52 R CA 0.232 56.339 56.100 0.012 0.000 1.171 52 R CB 0.588 31.072 30.300 0.305 0.000 1.612 52 R HN 0.207 nan 8.270 nan 0.000 0.546 53 T N -0.565 113.844 114.554 -0.243 0.000 3.044 53 T HA 0.370 4.720 4.350 -0.000 0.000 0.237 53 T C 0.109 174.791 174.700 -0.031 0.000 1.001 53 T CA 0.550 62.337 62.100 -0.522 0.000 1.160 53 T CB 0.452 69.005 68.868 -0.525 0.000 0.889 53 T HN -0.040 nan 8.240 nan 0.000 0.442 54 L N 2.539 123.802 121.223 0.067 0.000 2.470 54 L HA 0.520 4.860 4.340 -0.000 0.000 0.268 54 L C -1.308 175.643 176.870 0.135 0.000 0.964 54 L CA -1.032 53.871 54.840 0.105 0.000 0.839 54 L CB 2.228 44.376 42.059 0.149 0.000 1.276 54 L HN 0.132 nan 8.230 nan 0.000 0.403 55 N N 2.741 121.442 118.700 0.003 0.000 2.420 55 N HA 0.206 4.946 4.740 -0.000 0.000 0.249 55 N C -1.358 174.173 175.510 0.035 0.000 1.033 55 N CA -0.274 52.839 53.050 0.105 0.000 0.944 55 N CB 1.047 39.632 38.487 0.164 0.000 1.113 55 N HN 0.363 nan 8.380 nan 0.000 0.502 56 W N 4.329 125.655 121.300 0.042 0.000 2.317 56 W HA 0.241 4.901 4.660 -0.000 0.000 0.327 56 W C 0.169 176.732 176.519 0.074 0.000 1.036 56 W CA -0.721 56.641 57.345 0.027 0.000 1.419 56 W CB -0.185 29.300 29.460 0.041 0.000 1.253 56 W HN 0.396 nan 8.180 nan 0.000 0.392 57 Y N -1.128 119.264 120.300 0.153 0.000 2.659 57 Y HA 0.625 5.175 4.550 -0.000 0.000 0.333 57 Y C 0.183 176.105 175.900 0.038 0.000 1.064 57 Y CA -2.703 55.448 58.100 0.084 0.000 1.141 57 Y CB 0.538 39.019 38.460 0.036 0.000 1.316 57 Y HN 0.240 nan 8.280 nan 0.000 0.509 58 D N -0.004 120.601 120.400 0.343 0.000 2.904 58 D HA -0.066 4.574 4.640 -0.000 0.000 0.231 58 D C -1.524 174.729 176.300 -0.078 0.000 1.185 58 D CA 0.735 54.823 54.000 0.147 0.000 0.783 58 D CB -1.067 39.853 40.800 0.200 0.000 0.961 58 D HN 0.555 nan 8.370 nan 0.000 0.409 59 V N 0.905 120.785 119.914 -0.057 0.000 2.407 59 V HA 0.533 4.653 4.120 -0.000 0.000 0.291 59 V C 0.594 176.444 176.094 -0.407 0.000 1.018 59 V CA -0.496 61.650 62.300 -0.256 0.000 0.842 59 V CB 2.152 33.939 31.823 -0.059 0.000 0.996 59 V HN 0.125 nan 8.190 nan 0.000 0.426 60 K N 3.013 122.992 120.400 -0.701 0.000 2.283 60 K HA 0.662 4.982 4.320 -0.000 0.000 0.257 60 K C -1.718 174.376 176.600 -0.844 0.000 1.066 60 K CA -0.877 55.127 56.287 -0.472 0.000 0.891 60 K CB 2.851 35.283 32.500 -0.114 0.000 1.438 60 K HN 0.547 nan 8.250 nan 0.000 0.464 61 W N 0.782 122.087 121.300 0.009 0.000 2.884 61 W HA 0.118 4.778 4.660 -0.000 0.000 0.336 61 W C 0.971 177.500 176.519 0.017 0.000 1.038 61 W CA -0.694 56.659 57.345 0.012 0.000 1.247 61 W CB 1.762 31.225 29.460 0.004 0.000 1.351 61 W HN 0.763 nan 8.180 nan 0.000 0.446 62 S N 2.778 118.571 115.700 0.155 0.000 2.490 62 S HA -0.286 4.184 4.470 -0.000 0.000 0.243 62 S C 1.313 175.989 174.600 0.127 0.000 1.052 62 S CA 1.897 60.164 58.200 0.112 0.000 1.254 62 S CB -0.036 63.219 63.200 0.090 0.000 1.191 62 S HN 0.434 nan 8.310 nan 0.000 0.422 63 K N -0.994 119.484 120.400 0.130 0.000 2.918 63 K HA 0.432 4.752 4.320 -0.000 0.000 0.318 63 K C 0.833 177.499 176.600 0.111 0.000 0.995 63 K CA 0.983 57.331 56.287 0.101 0.000 1.187 63 K CB 0.222 32.772 32.500 0.084 0.000 1.413 63 K HN 0.389 nan 8.250 nan 0.000 0.556 64 T N -1.488 113.108 114.554 0.070 0.000 3.310 64 T HA 0.122 4.472 4.350 -0.000 0.000 0.266 64 T C -0.787 173.924 174.700 0.018 0.000 0.842 64 T CA -0.285 61.838 62.100 0.038 0.000 0.815 64 T CB 0.178 69.061 68.868 0.024 0.000 1.247 64 T HN 0.297 nan 8.240 nan 0.000 0.697 65 S N 1.983 117.696 115.700 0.023 0.000 2.300 65 S HA 0.506 4.976 4.470 -0.000 0.000 0.172 65 S C -0.150 174.463 174.600 0.023 0.000 1.484 65 S CA -0.455 57.751 58.200 0.009 0.000 1.265 65 S CB 0.261 63.460 63.200 -0.001 0.000 1.313 65 S HN 0.282 nan 8.310 nan 0.000 0.387 66 L N 1.879 123.124 121.223 0.036 0.000 2.464 66 L HA 0.400 4.740 4.340 -0.000 0.000 0.264 66 L C 0.497 177.391 176.870 0.041 0.000 1.199 66 L CA -0.357 54.512 54.840 0.049 0.000 0.818 66 L CB 0.410 42.509 42.059 0.067 0.000 1.102 66 L HN 0.374 nan 8.230 nan 0.000 0.473 67 N N -0.679 118.052 118.700 0.051 0.000 2.457 67 N HA 0.218 4.958 4.740 -0.000 0.000 0.290 67 N C 1.017 176.577 175.510 0.083 0.000 1.232 67 N CA -0.638 52.443 53.050 0.052 0.000 0.852 67 N CB 1.759 40.272 38.487 0.043 0.000 1.313 67 N HN 0.286 nan 8.380 nan 0.000 0.522 68 V N 0.916 120.884 119.914 0.091 0.000 2.391 68 V HA -0.332 3.788 4.120 -0.000 0.000 0.271 68 V C 0.524 176.769 176.094 0.251 0.000 1.170 68 V CA 2.233 64.623 62.300 0.151 0.000 1.125 68 V CB -0.776 31.134 31.823 0.144 0.000 0.772 68 V HN 0.687 nan 8.190 nan 0.000 0.456 69 N N -2.460 116.354 118.700 0.190 0.000 2.081 69 N HA 0.166 4.906 4.740 -0.000 0.000 0.230 69 N C -0.078 175.520 175.510 0.146 0.000 1.351 69 N CA -0.149 53.033 53.050 0.220 0.000 0.840 69 N CB 0.508 39.082 38.487 0.144 0.000 1.189 69 N HN 0.547 nan 8.380 nan 0.000 0.503 70 E N 0.760 121.026 120.200 0.111 0.000 2.313 70 E HA 0.292 4.642 4.350 -0.000 0.000 0.276 70 E C -0.345 176.310 176.600 0.092 0.000 1.031 70 E CA 0.043 56.494 56.400 0.085 0.000 0.857 70 E CB 0.872 30.611 29.700 0.066 0.000 1.040 70 E HN 0.067 nan 8.360 nan 0.000 0.408 71 S N 2.839 118.588 115.700 0.082 0.000 2.584 71 S HA 0.344 4.814 4.470 -0.000 0.000 0.273 71 S C -0.107 174.543 174.600 0.083 0.000 1.311 71 S CA -0.283 57.968 58.200 0.084 0.000 1.034 71 S CB 0.730 63.971 63.200 0.070 0.000 0.939 71 S HN 0.458 nan 8.310 nan 0.000 0.513 72 M N 2.367 122.024 119.600 0.095 0.000 2.658 72 M HA 0.630 5.110 4.480 -0.000 0.000 0.295 72 M C -2.103 174.261 176.300 0.107 0.000 1.248 72 M CA -0.763 54.602 55.300 0.109 0.000 0.843 72 M CB 1.810 34.494 32.600 0.140 0.000 1.749 72 M HN 0.402 nan 8.290 nan 0.000 0.464 73 V N 3.372 123.347 119.914 0.102 0.000 2.525 73 V HA 0.415 4.535 4.120 -0.000 0.000 0.299 73 V C -0.538 175.557 176.094 0.002 0.000 1.034 73 V CA -1.012 61.328 62.300 0.066 0.000 0.863 73 V CB 1.429 33.278 31.823 0.043 0.000 0.999 73 V HN 0.685 nan 8.190 nan 0.000 0.423 74 L N 3.697 124.919 121.223 -0.002 0.000 2.416 74 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 74 L C 0.338 177.015 176.870 -0.322 0.000 1.161 74 L CA 0.996 55.727 54.840 -0.181 0.000 0.845 74 L CB 1.396 43.500 42.059 0.074 0.000 1.119 74 L HN 0.870 nan 8.230 nan 0.000 0.464 75 S N 3.092 118.409 115.700 -0.638 0.000 2.552 75 S HA 0.860 5.330 4.470 -0.000 0.000 0.314 75 S C 0.035 174.163 174.600 -0.786 0.000 1.099 75 S CA -0.579 57.256 58.200 -0.609 0.000 1.070 75 S CB 1.689 64.617 63.200 -0.453 0.000 0.998 75 S HN 0.955 nan 8.310 nan 0.000 0.474 76 G N 2.204 110.277 108.800 -1.212 0.000 2.702 76 G HA2 0.566 4.526 3.960 -0.000 0.000 0.296 76 G HA3 0.566 4.526 3.960 -0.000 0.000 0.296 76 G C -2.001 172.070 174.900 -1.382 0.000 1.463 76 G CA -0.888 43.408 45.100 -1.341 0.000 0.890 76 G HN 0.470 nan 8.290 nan 0.000 0.534 77 K N 0.583 120.539 120.400 -0.741 0.000 2.426 77 K HA 0.706 5.026 4.320 -0.000 0.000 0.254 77 K C -1.067 175.024 176.600 -0.848 0.000 0.936 77 K CA -0.790 55.092 56.287 -0.675 0.000 0.801 77 K CB 2.996 35.117 32.500 -0.631 0.000 1.139 77 K HN 0.291 nan 8.250 nan 0.000 0.424 78 V N 2.067 121.666 119.914 -0.526 0.000 2.789 78 V HA 0.264 4.384 4.120 -0.000 0.000 0.311 78 V C -0.609 175.364 176.094 -0.202 0.000 1.073 78 V CA -0.937 61.041 62.300 -0.536 0.000 0.921 78 V CB 1.866 33.221 31.823 -0.780 0.000 1.009 78 V HN 0.802 nan 8.190 nan 0.000 0.426 79 H N 2.810 121.780 119.070 -0.167 0.000 2.472 79 H HA 0.690 5.246 4.556 -0.000 0.000 0.335 79 H C -1.125 174.254 175.328 0.086 0.000 1.136 79 H CA -0.779 55.300 56.048 0.050 0.000 1.264 79 H CB 2.080 31.945 29.762 0.171 0.000 1.486 79 H HN 0.489 nan 8.280 nan 0.000 0.517 80 V N 5.601 125.437 119.914 -0.130 0.000 2.294 80 V HA 0.137 4.257 4.120 -0.000 0.000 0.272 80 V C 0.409 176.322 176.094 -0.302 0.000 1.027 80 V CA -0.799 61.456 62.300 -0.075 0.000 0.823 80 V CB -0.466 31.427 31.823 0.116 0.000 1.030 80 V HN 0.657 nan 8.190 nan 0.000 0.457 81 F N 2.760 122.470 119.950 -0.400 0.000 2.596 81 F HA -0.197 4.329 4.527 -0.000 0.000 0.342 81 F C 1.700 177.526 175.800 0.043 0.000 1.074 81 F CA 0.907 58.783 58.000 -0.207 0.000 1.309 81 F CB 0.865 39.860 39.000 -0.009 0.000 0.970 81 F HN 0.607 nan 8.300 nan 0.000 0.623 82 S N 2.775 118.459 115.700 -0.026 0.000 2.439 82 S HA 0.110 4.580 4.470 -0.000 0.000 0.224 82 S C 0.622 175.039 174.600 -0.306 0.000 1.029 82 S CA 0.536 58.673 58.200 -0.104 0.000 0.946 82 S CB 0.289 63.502 63.200 0.021 0.000 0.797 82 S HN 0.658 nan 8.310 nan 0.000 0.504 83 A N 1.584 123.899 122.820 -0.841 0.000 3.173 83 A HA 0.275 4.595 4.320 -0.000 0.000 0.304 83 A C -0.355 177.044 177.584 -0.308 0.000 1.318 83 A CA -0.640 51.091 52.037 -0.510 0.000 1.069 83 A CB -0.454 18.236 19.000 -0.516 0.000 1.147 83 A HN 0.582 nan 8.150 nan 0.000 0.547 84 W N 4.168 125.329 121.300 -0.231 0.000 2.347 84 W HA 0.103 4.763 4.660 -0.000 0.000 0.333 84 W C -2.139 174.386 176.519 0.009 0.000 1.383 84 W CA -1.281 56.037 57.345 -0.046 0.000 1.283 84 W CB 0.638 30.082 29.460 -0.027 0.000 1.253 84 W HN 0.419 nan 8.180 nan 0.000 0.563 85 P HA -0.186 nan 4.420 nan 0.000 0.256 85 P C 0.640 177.954 177.300 0.023 0.000 1.189 85 P CA 0.653 63.690 63.100 -0.105 0.000 0.808 85 P CB 0.391 31.905 31.700 -0.310 0.000 0.793 86 Q N 4.121 123.997 119.800 0.127 0.000 2.242 86 Q HA -0.276 4.064 4.340 -0.000 0.000 0.211 86 Q C 1.774 177.839 176.000 0.108 0.000 0.992 86 Q CA 2.301 58.191 55.803 0.146 0.000 0.889 86 Q CB -0.837 27.967 28.738 0.110 0.000 0.913 86 Q HN 0.429 nan 8.270 nan 0.000 0.422 87 A N 1.031 123.879 122.820 0.046 0.000 1.859 87 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 87 A C 1.189 178.784 177.584 0.019 0.000 1.198 87 A CA 1.495 53.531 52.037 -0.001 0.000 0.629 87 A CB -0.857 18.080 19.000 -0.104 0.000 0.830 87 A HN 0.271 nan 8.150 nan 0.000 0.446 88 V N 0.132 120.047 119.914 0.002 0.000 2.686 88 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 88 V C 0.967 177.290 176.094 0.381 0.000 1.055 88 V CA -0.458 61.918 62.300 0.127 0.000 1.050 88 V CB 0.690 32.524 31.823 0.018 0.000 0.984 88 V HN 0.643 nan 8.190 nan 0.000 0.482 89 A N 4.154 127.142 122.820 0.280 0.000 2.386 89 A HA 0.176 4.496 4.320 -0.000 0.000 0.246 89 A C 0.718 178.404 177.584 0.170 0.000 1.089 89 A CA -0.239 51.914 52.037 0.192 0.000 0.790 89 A CB -0.042 19.009 19.000 0.085 0.000 1.042 89 A HN 0.889 nan 8.150 nan 0.000 0.497 90 N N 1.602 120.254 118.700 -0.080 0.000 2.414 90 N HA 0.010 4.750 4.740 -0.000 0.000 0.268 90 N C -1.857 173.389 175.510 -0.440 0.000 1.286 90 N CA -1.145 51.667 53.050 -0.397 0.000 0.896 90 N CB 0.735 39.068 38.487 -0.257 0.000 1.093 90 N HN 0.305 nan 8.380 nan 0.000 0.480 91 P HA -0.071 nan 4.420 nan 0.000 0.299 91 P C 0.791 177.873 177.300 -0.363 0.000 1.515 91 P CA 0.347 63.113 63.100 -0.557 0.000 0.770 91 P CB -0.071 31.067 31.700 -0.936 0.000 1.614 92 K N 0.559 120.781 120.400 -0.298 0.000 2.063 92 K HA -0.059 4.261 4.320 -0.000 0.000 0.208 92 K C 0.150 176.650 176.600 -0.167 0.000 1.048 92 K CA 1.034 57.194 56.287 -0.210 0.000 0.928 92 K CB 0.086 32.488 32.500 -0.164 0.000 0.713 92 K HN 0.107 nan 8.250 nan 0.000 0.442 93 S N -0.131 115.486 115.700 -0.139 0.000 2.561 93 S HA 0.448 4.918 4.470 -0.000 0.000 0.303 93 S C -1.292 173.261 174.600 -0.078 0.000 1.110 93 S CA -0.996 57.137 58.200 -0.111 0.000 1.034 93 S CB 2.125 65.267 63.200 -0.098 0.000 1.010 93 S HN 0.252 nan 8.310 nan 0.000 0.482 94 S N 1.403 117.070 115.700 -0.055 0.000 2.755 94 S HA 0.812 5.282 4.470 -0.000 0.000 0.286 94 S C -2.003 172.689 174.600 0.155 0.000 1.207 94 S CA -0.686 57.529 58.200 0.025 0.000 0.892 94 S CB 1.019 64.225 63.200 0.010 0.000 1.240 94 S HN 0.557 nan 8.310 nan 0.000 0.525 95 F N 2.037 121.946 119.950 -0.069 0.000 2.654 95 F HA 0.491 5.018 4.527 -0.000 0.000 0.314 95 F C -1.664 174.098 175.800 -0.064 0.000 1.116 95 F CA -1.294 56.666 58.000 -0.067 0.000 1.017 95 F CB 0.980 39.955 39.000 -0.043 0.000 1.285 95 F HN 0.671 nan 8.300 nan 0.000 0.448 96 L N 2.774 123.731 121.223 -0.443 0.000 2.379 96 L HA 0.792 5.132 4.340 -0.000 0.000 0.269 96 L C -0.944 175.595 176.870 -0.552 0.000 1.084 96 L CA -0.434 54.137 54.840 -0.449 0.000 0.802 96 L CB 1.749 43.515 42.059 -0.489 0.000 1.175 96 L HN 0.669 nan 8.230 nan 0.000 0.448 97 N N 0.029 118.561 118.700 -0.281 0.000 3.339 97 N HA 0.596 5.336 4.740 -0.000 0.000 0.275 97 N C -1.661 173.818 175.510 -0.052 0.000 1.514 97 N CA -0.072 52.856 53.050 -0.202 0.000 0.879 97 N CB 1.709 40.083 38.487 -0.189 0.000 1.557 97 N HN 0.942 nan 8.380 nan 0.000 0.524 98 A N -0.270 122.533 122.820 -0.029 0.000 2.302 98 A HA 0.542 4.862 4.320 -0.000 0.000 0.295 98 A C 0.984 178.575 177.584 0.012 0.000 1.235 98 A CA 0.172 52.221 52.037 0.019 0.000 0.876 98 A CB -0.415 18.594 19.000 0.015 0.000 1.133 98 A HN 0.639 nan 8.150 nan 0.000 0.533 99 G N 1.917 110.742 108.800 0.042 0.000 3.332 99 G HA2 0.129 4.089 3.960 -0.000 0.000 0.242 99 G HA3 0.129 4.089 3.960 -0.000 0.000 0.242 99 G C 0.213 175.111 174.900 -0.004 0.000 1.276 99 G CA -0.309 44.815 45.100 0.040 0.000 0.988 99 G HN 0.824 nan 8.290 nan 0.000 0.517 100 E N 1.780 121.956 120.200 -0.040 0.000 2.026 100 E HA 0.017 4.367 4.350 -0.000 0.000 0.249 100 E C -2.117 174.360 176.600 -0.204 0.000 1.273 100 E CA -1.127 55.202 56.400 -0.118 0.000 0.991 100 E CB 0.299 29.939 29.700 -0.100 0.000 1.076 100 E HN 0.199 nan 8.360 nan 0.000 0.438 101 P HA -0.063 nan 4.420 nan 0.000 0.252 101 P C -0.019 177.020 177.300 -0.435 0.000 1.183 101 P CA 0.758 63.675 63.100 -0.304 0.000 0.973 101 P CB 0.153 31.662 31.700 -0.318 0.000 0.990 102 G N 4.538 113.169 108.800 -0.282 0.000 2.850 102 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.686 102 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.686 102 G C -2.970 171.775 174.900 -0.259 0.000 1.164 102 G CA -1.255 43.689 45.100 -0.260 0.000 0.826 102 G HN 0.203 nan 8.290 nan 0.000 0.586 103 P HA 0.265 nan 4.420 nan 0.000 0.271 103 P C 1.186 178.396 177.300 -0.150 0.000 1.380 103 P CA 0.257 63.277 63.100 -0.133 0.000 0.992 103 P CB 0.719 32.373 31.700 -0.078 0.000 1.230 104 V N 2.281 122.110 119.914 -0.142 0.000 3.650 104 V HA 0.222 4.342 4.120 -0.000 0.000 0.271 104 V C 0.483 176.539 176.094 -0.064 0.000 1.281 104 V CA 0.790 63.068 62.300 -0.038 0.000 1.120 104 V CB -0.607 31.358 31.823 0.237 0.000 0.856 104 V HN 0.148 nan 8.190 nan 0.000 0.443 105 L N -1.361 119.814 121.223 -0.080 0.000 2.348 105 L HA 0.701 5.041 4.340 -0.000 0.000 0.258 105 L C 0.457 177.269 176.870 -0.096 0.000 1.208 105 L CA -0.559 54.237 54.840 -0.075 0.000 1.241 105 L CB 1.743 43.816 42.059 0.023 0.000 1.742 105 L HN -0.027 nan 8.230 nan 0.000 0.544 106 V N -1.283 118.628 119.914 -0.005 0.000 6.997 106 V HA 0.526 4.646 4.120 -0.000 0.000 0.248 106 V C -1.164 174.970 176.094 0.068 0.000 1.621 106 V CA -0.597 61.729 62.300 0.044 0.000 0.743 106 V CB 1.220 33.129 31.823 0.144 0.000 1.826 106 V HN 0.710 nan 8.190 nan 0.000 0.339 107 R N -0.307 120.249 120.500 0.094 0.000 2.980 107 R HA 0.275 4.615 4.340 -0.000 0.000 0.211 107 R C -0.057 176.292 176.300 0.082 0.000 1.542 107 R CA 0.705 56.858 56.100 0.088 0.000 0.924 107 R CB -0.146 30.210 30.300 0.094 0.000 1.492 107 R HN 0.577 nan 8.270 nan 0.000 0.436 108 T N 0.109 114.701 114.554 0.064 0.000 2.904 108 T HA 0.419 4.769 4.350 -0.000 0.000 0.267 108 T C 0.655 175.330 174.700 -0.040 0.000 1.059 108 T CA 1.326 63.439 62.100 0.022 0.000 1.137 108 T CB 0.056 68.934 68.868 0.018 0.000 0.879 108 T HN 0.695 nan 8.240 nan 0.000 0.467 109 A N -0.427 122.388 122.820 -0.008 0.000 2.402 109 A HA 0.615 4.935 4.320 -0.000 0.000 0.295 109 A C -1.900 175.755 177.584 0.118 0.000 1.001 109 A CA -0.949 51.061 52.037 -0.045 0.000 0.592 109 A CB 0.665 19.472 19.000 -0.323 0.000 1.404 109 A HN 0.160 nan 8.150 nan 0.000 0.493 110 Q N -0.904 119.060 119.800 0.273 0.000 2.605 110 Q HA 0.798 5.138 4.340 -0.000 0.000 0.296 110 Q C -1.643 174.613 176.000 0.427 0.000 1.056 110 Q CA -0.663 55.331 55.803 0.317 0.000 0.778 110 Q CB 2.928 31.829 28.738 0.272 0.000 1.497 110 Q HN 0.765 nan 8.270 nan 0.000 0.443 111 F N 1.667 121.740 119.950 0.204 0.000 2.588 111 F HA 0.744 5.271 4.527 -0.000 0.000 0.314 111 F C -1.702 174.225 175.800 0.212 0.000 1.134 111 F CA -0.847 57.270 58.000 0.196 0.000 0.961 111 F CB 1.353 40.438 39.000 0.142 0.000 1.239 111 F HN 0.600 nan 8.300 nan 0.000 0.448 112 I N 5.285 126.214 120.570 0.599 0.000 2.763 112 I HA 0.521 4.691 4.170 -0.000 0.000 0.292 112 I C 0.050 176.345 176.117 0.296 0.000 1.610 112 I CA 0.343 61.804 61.300 0.268 0.000 1.002 112 I CB 1.703 39.772 38.000 0.114 0.000 1.416 112 I HN 0.911 nan 8.210 nan 0.000 0.479 113 G N 5.752 114.706 108.800 0.257 0.000 2.614 113 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.303 113 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.303 113 G C 0.068 175.206 174.900 0.396 0.000 1.270 113 G CA 0.577 45.921 45.100 0.408 0.000 0.988 113 G HN 0.760 nan 8.290 nan 0.000 0.551 114 E N 1.187 121.579 120.200 0.319 0.000 2.947 114 E HA 0.445 4.795 4.350 -0.000 0.000 0.229 114 E C 0.309 177.029 176.600 0.200 0.000 1.158 114 E CA 0.027 56.600 56.400 0.289 0.000 1.441 114 E CB 0.951 30.762 29.700 0.186 0.000 1.414 114 E HN 0.469 nan 8.360 nan 0.000 0.432 115 Q N 0.327 120.276 119.800 0.250 0.000 2.721 115 Q HA 0.214 4.554 4.340 -0.000 0.000 0.282 115 Q C -1.906 174.226 176.000 0.220 0.000 0.932 115 Q CA -0.764 55.128 55.803 0.150 0.000 0.816 115 Q CB 0.904 29.674 28.738 0.054 0.000 1.506 115 Q HN 0.139 nan 8.270 nan 0.000 0.399 116 F N 1.853 121.857 119.950 0.091 0.000 2.385 116 F HA 0.948 5.475 4.527 -0.000 0.000 0.360 116 F C -1.030 174.844 175.800 0.124 0.000 1.122 116 F CA -0.498 57.573 58.000 0.119 0.000 1.090 116 F CB 0.769 39.803 39.000 0.058 0.000 1.150 116 F HN 0.553 nan 8.300 nan 0.000 0.472 117 A N 7.275 129.993 122.820 -0.169 0.000 2.355 117 A HA 0.717 5.037 4.320 -0.000 0.000 0.317 117 A C -2.289 175.311 177.584 0.026 0.000 1.094 117 A CA -1.657 50.214 52.037 -0.277 0.000 0.764 117 A CB 1.459 20.399 19.000 -0.099 0.000 1.230 117 A HN 0.593 nan 8.150 nan 0.000 0.448 118 P HA 0.034 nan 4.420 nan 0.000 0.217 118 P C 0.422 177.508 177.300 -0.356 0.000 1.153 118 P CA 0.759 63.863 63.100 0.007 0.000 0.843 118 P CB 0.381 32.067 31.700 -0.024 0.000 0.794 119 R N 0.462 120.680 120.500 -0.469 0.000 2.603 119 R HA 0.378 4.718 4.340 -0.000 0.000 0.231 119 R C 1.066 176.853 176.300 -0.854 0.000 1.263 119 R CA -0.435 55.273 56.100 -0.654 0.000 1.102 119 R CB -0.680 29.409 30.300 -0.351 0.000 1.527 119 R HN 0.067 nan 8.270 nan 0.000 0.554 120 S N -0.579 114.750 115.700 -0.618 0.000 2.611 120 S HA 0.306 4.776 4.470 -0.000 0.000 0.252 120 S C 0.417 174.892 174.600 -0.209 0.000 1.369 120 S CA -0.047 57.927 58.200 -0.376 0.000 0.975 120 S CB 0.248 63.319 63.200 -0.215 0.000 0.937 120 S HN 0.577 nan 8.310 nan 0.000 0.584 121 V N -3.214 116.632 119.914 -0.113 0.000 3.112 121 V HA 0.836 4.956 4.120 -0.000 0.000 0.310 121 V C -0.912 175.094 176.094 -0.147 0.000 1.364 121 V CA -0.877 61.355 62.300 -0.112 0.000 1.058 121 V CB 1.425 33.202 31.823 -0.077 0.000 1.079 121 V HN 0.937 nan 8.190 nan 0.000 0.463 122 S N 2.006 117.595 115.700 -0.185 0.000 2.667 122 S HA 0.729 5.199 4.470 -0.000 0.000 0.304 122 S C -0.692 173.703 174.600 -0.341 0.000 1.135 122 S CA -0.390 57.682 58.200 -0.212 0.000 1.125 122 S CB 0.618 63.730 63.200 -0.145 0.000 0.996 122 S HN 0.635 nan 8.310 nan 0.000 0.474 123 L N 2.558 123.554 121.223 -0.379 0.000 2.453 123 L HA 0.558 4.898 4.340 -0.000 0.000 0.261 123 L C 0.522 177.256 176.870 -0.226 0.000 1.179 123 L CA 0.042 54.592 54.840 -0.484 0.000 0.813 123 L CB 0.181 42.037 42.059 -0.338 0.000 1.110 123 L HN 0.474 nan 8.230 nan 0.000 0.466 124 E N -0.076 120.142 120.200 0.030 0.000 2.212 124 E HA 0.354 4.704 4.350 -0.000 0.000 0.268 124 E C -1.053 175.587 176.600 0.067 0.000 0.902 124 E CA -0.736 55.710 56.400 0.076 0.000 0.779 124 E CB 1.580 31.400 29.700 0.200 0.000 1.172 124 E HN 0.237 nan 8.360 nan 0.000 0.409 125 V N 5.061 124.964 119.914 -0.019 0.000 2.358 125 V HA 0.285 4.405 4.120 -0.000 0.000 0.234 125 V C 1.293 177.448 176.094 0.101 0.000 1.239 125 V CA 1.494 63.800 62.300 0.009 0.000 1.343 125 V CB -1.174 30.629 31.823 -0.033 0.000 1.377 125 V HN 0.925 nan 8.190 nan 0.000 0.487 126 G N 3.085 112.003 108.800 0.195 0.000 2.905 126 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.196 126 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.196 126 G C 0.282 175.393 174.900 0.352 0.000 1.044 126 G CA -0.506 44.787 45.100 0.322 0.000 0.778 126 G HN 0.531 nan 8.290 nan 0.000 0.474 127 K N 1.299 121.831 120.400 0.220 0.000 2.140 127 K HA 0.654 4.974 4.320 -0.000 0.000 0.237 127 K C -0.711 175.973 176.600 0.139 0.000 1.045 127 K CA -0.036 56.298 56.287 0.079 0.000 0.896 127 K CB 0.410 32.872 32.500 -0.062 0.000 1.122 127 K HN 0.277 nan 8.250 nan 0.000 0.503 128 D N -0.734 119.581 120.400 -0.142 0.000 2.575 128 D HA 0.374 5.014 4.640 -0.000 0.000 0.236 128 D C -1.171 174.903 176.300 -0.378 0.000 1.075 128 D CA -0.348 53.620 54.000 -0.054 0.000 0.860 128 D CB 0.941 41.758 40.800 0.028 0.000 1.475 128 D HN 0.218 nan 8.370 nan 0.000 0.474 129 Y N 0.198 120.479 120.300 -0.031 0.000 2.477 129 Y HA 0.673 5.223 4.550 -0.000 0.000 0.347 129 Y C 0.254 176.089 175.900 -0.108 0.000 0.981 129 Y CA -1.336 56.735 58.100 -0.048 0.000 1.033 129 Y CB 1.689 40.130 38.460 -0.032 0.000 1.245 129 Y HN 0.428 nan 8.280 nan 0.000 0.455 130 A N 3.080 125.880 122.820 -0.034 0.000 2.271 130 A HA 0.880 5.200 4.320 -0.000 0.000 0.288 130 A C -1.051 176.306 177.584 -0.379 0.000 1.094 130 A CA -0.229 51.639 52.037 -0.281 0.000 0.828 130 A CB 0.349 19.123 19.000 -0.377 0.000 1.091 130 A HN 0.831 nan 8.150 nan 0.000 0.493 131 F N -1.932 117.599 119.950 -0.697 0.000 2.799 131 F HA 0.709 5.236 4.527 0.000 0.000 0.316 131 F C -0.833 174.692 175.800 -0.458 0.000 1.155 131 F CA -0.552 57.053 58.000 -0.658 0.000 0.916 131 F CB 0.682 39.492 39.000 -0.316 0.000 1.294 131 F HN 0.621 nan 8.300 nan 0.000 0.447 132 S N 1.543 117.215 115.700 -0.047 0.000 2.580 132 S HA 0.750 5.220 4.470 -0.000 0.000 0.281 132 S C -1.501 173.254 174.600 0.258 0.000 1.129 132 S CA -0.587 57.614 58.200 0.002 0.000 0.862 132 S CB 1.731 64.914 63.200 -0.028 0.000 1.090 132 S HN 1.123 nan 8.310 nan 0.000 0.451 133 I N -0.920 119.768 120.570 0.197 0.000 2.512 133 I HA 0.537 4.707 4.170 -0.000 0.000 0.287 133 I C -1.166 175.029 176.117 0.130 0.000 1.069 133 I CA -0.680 60.730 61.300 0.183 0.000 1.056 133 I CB 1.641 39.739 38.000 0.162 0.000 1.229 133 I HN 0.371 nan 8.210 nan 0.000 0.429 134 D N 6.145 126.614 120.400 0.115 0.000 2.425 134 D HA 0.421 5.061 4.640 -0.000 0.000 0.247 134 D C -0.112 176.239 176.300 0.085 0.000 1.147 134 D CA 0.446 54.498 54.000 0.086 0.000 0.879 134 D CB 1.580 42.412 40.800 0.053 0.000 1.179 134 D HN 0.586 nan 8.370 nan 0.000 0.456 135 L N 1.117 122.394 121.223 0.089 0.000 3.000 135 L HA 0.710 5.050 4.340 -0.000 0.000 0.237 135 L C -0.472 176.457 176.870 0.099 0.000 1.943 135 L CA -0.762 54.132 54.840 0.089 0.000 2.046 135 L CB 0.355 42.468 42.059 0.090 0.000 2.173 135 L HN 0.237 nan 8.230 nan 0.000 0.565 136 K N -0.174 120.284 120.400 0.097 0.000 2.479 136 K HA 0.512 4.832 4.320 -0.000 0.000 0.320 136 K C -1.388 175.255 176.600 0.072 0.000 1.255 136 K CA 0.117 56.481 56.287 0.128 0.000 1.151 136 K CB 0.635 33.266 32.500 0.219 0.000 1.421 136 K HN 1.104 nan 8.250 nan 0.000 0.448 137 A N 3.641 126.502 122.820 0.070 0.000 2.603 137 A HA 0.013 4.333 4.320 -0.000 0.000 0.235 137 A C 0.817 178.307 177.584 -0.157 0.000 1.035 137 A CA 1.194 53.235 52.037 0.008 0.000 0.755 137 A CB 0.156 19.194 19.000 0.062 0.000 0.954 137 A HN 0.953 nan 8.150 nan 0.000 0.511 138 R N 1.090 121.336 120.500 -0.423 0.000 2.646 138 R HA 0.188 4.528 4.340 -0.000 0.000 0.226 138 R C 0.607 176.670 176.300 -0.395 0.000 0.928 138 R CA 0.139 55.563 56.100 -1.128 0.000 1.010 138 R CB 0.394 29.627 30.300 -1.777 0.000 1.516 138 R HN 0.777 nan 8.270 nan 0.000 0.621 139 R N 0.474 120.889 120.500 -0.142 0.000 2.744 139 R HA 0.607 4.947 4.340 -0.000 0.000 0.279 139 R C -0.526 175.864 176.300 0.149 0.000 0.977 139 R CA -0.108 56.016 56.100 0.039 0.000 0.906 139 R CB 1.935 32.278 30.300 0.071 0.000 1.197 139 R HN 0.149 nan 8.270 nan 0.000 0.463 140 A N 1.851 124.754 122.820 0.137 0.000 2.141 140 A HA 0.417 4.737 4.320 -0.000 0.000 0.311 140 A C 0.648 178.224 177.584 -0.014 0.000 1.377 140 A CA 0.774 52.851 52.037 0.066 0.000 0.923 140 A CB -1.218 17.814 19.000 0.053 0.000 1.158 140 A HN 1.337 nan 8.150 nan 0.000 0.520 141 G N -2.446 106.176 108.800 -0.295 0.000 2.828 141 G HA2 0.054 4.014 3.960 -0.000 0.000 0.463 141 G HA3 0.054 4.014 3.960 -0.000 0.000 0.463 141 G C -0.459 173.769 174.900 -1.120 0.000 1.394 141 G CA 0.111 44.619 45.100 -0.988 0.000 0.862 141 G HN 1.231 nan 8.290 nan 0.000 0.540 142 R N -0.672 119.013 120.500 -1.358 0.000 2.631 142 R HA 0.490 4.830 4.340 -0.000 0.000 0.289 142 R C -0.992 175.005 176.300 -0.505 0.000 1.303 142 R CA -0.527 55.130 56.100 -0.738 0.000 0.989 142 R CB 1.067 31.211 30.300 -0.260 0.000 1.208 142 R HN 0.730 nan 8.270 nan 0.000 0.461 143 W N -0.212 121.125 121.300 0.061 0.000 2.962 143 W HA 0.460 5.120 4.660 0.000 0.000 0.341 143 W C -0.007 176.245 176.519 -0.446 0.000 1.155 143 W CA -1.611 55.627 57.345 -0.177 0.000 1.165 143 W CB 0.072 29.459 29.460 -0.122 0.000 1.435 143 W HN 0.309 nan 8.180 nan 0.000 0.546 144 H N 0.113 118.617 119.070 -0.942 0.000 2.852 144 H HA 0.432 4.988 4.556 -0.000 0.000 0.362 144 H C -0.828 174.152 175.328 -0.579 0.000 1.122 144 H CA 0.704 56.005 56.048 -1.244 0.000 1.419 144 H CB 0.824 29.432 29.762 -1.924 0.000 1.401 144 H HN 0.325 nan 8.280 nan 0.000 0.609 145 V N 5.692 125.139 119.914 -0.778 0.000 2.498 145 V HA 0.115 4.235 4.120 -0.000 0.000 0.283 145 V C -0.544 175.381 176.094 -0.281 0.000 1.015 145 V CA -0.806 61.288 62.300 -0.344 0.000 0.867 145 V CB 0.913 32.653 31.823 -0.139 0.000 1.025 145 V HN 0.815 nan 8.190 nan 0.000 0.441 146 H N 2.565 121.591 119.070 -0.072 0.000 2.551 146 H HA 0.703 5.259 4.556 -0.000 0.000 0.358 146 H C 0.236 175.611 175.328 0.079 0.000 1.151 146 H CA 0.192 56.249 56.048 0.015 0.000 1.374 146 H CB 2.132 31.867 29.762 -0.044 0.000 1.473 146 H HN 0.745 nan 8.280 nan 0.000 0.574 147 A N 3.205 126.201 122.820 0.294 0.000 2.271 147 A HA 0.362 4.682 4.320 -0.000 0.000 0.317 147 A C -0.288 177.324 177.584 0.047 0.000 1.245 147 A CA -0.671 51.513 52.037 0.245 0.000 0.857 147 A CB 0.844 20.127 19.000 0.471 0.000 1.175 147 A HN 0.690 nan 8.150 nan 0.000 0.512 148 Q N 2.946 122.782 119.800 0.060 0.000 2.359 148 Q HA 0.554 4.894 4.340 -0.000 0.000 0.274 148 Q C -2.077 173.981 176.000 0.097 0.000 1.074 148 Q CA -0.559 55.283 55.803 0.065 0.000 0.810 148 Q CB 1.659 30.358 28.738 -0.065 0.000 1.342 148 Q HN 0.642 nan 8.270 nan 0.000 0.427 149 I N 3.583 124.288 120.570 0.225 0.000 2.442 149 I HA 0.210 4.380 4.170 -0.000 0.000 0.279 149 I C -0.046 176.125 176.117 0.089 0.000 1.081 149 I CA -0.570 60.753 61.300 0.039 0.000 1.197 149 I CB 0.783 38.747 38.000 -0.060 0.000 1.394 149 I HN 0.514 nan 8.210 nan 0.000 0.488 150 N N 4.966 123.701 118.700 0.059 0.000 2.475 150 N HA 0.124 4.864 4.740 -0.000 0.000 0.267 150 N C -0.717 174.851 175.510 0.097 0.000 1.169 150 N CA 0.034 53.129 53.050 0.074 0.000 0.947 150 N CB 1.669 40.193 38.487 0.062 0.000 1.061 150 N HN 0.162 nan 8.380 nan 0.000 0.466 151 V N 4.582 124.555 119.914 0.099 0.000 2.334 151 V HA 0.027 4.147 4.120 -0.000 0.000 0.267 151 V C 1.254 177.391 176.094 0.071 0.000 1.040 151 V CA -0.530 61.828 62.300 0.097 0.000 0.866 151 V CB 1.014 32.937 31.823 0.166 0.000 1.019 151 V HN 0.707 nan 8.190 nan 0.000 0.468 152 E N 3.742 123.969 120.200 0.046 0.000 2.267 152 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 152 E C 1.595 178.209 176.600 0.025 0.000 0.998 152 E CA 1.325 57.740 56.400 0.025 0.000 0.830 152 E CB -0.231 29.469 29.700 -0.000 0.000 0.751 152 E HN 0.634 nan 8.360 nan 0.000 0.491 153 G N 0.372 109.192 108.800 0.033 0.000 3.263 153 G HA2 0.332 4.292 3.960 -0.000 0.000 0.246 153 G HA3 0.332 4.292 3.960 -0.000 0.000 0.246 153 G C 0.657 175.604 174.900 0.078 0.000 0.982 153 G CA -0.253 44.871 45.100 0.041 0.000 1.897 153 G HN 0.754 nan 8.290 nan 0.000 0.624 154 G N -0.938 107.894 108.800 0.053 0.000 2.368 154 G HA2 0.409 4.369 3.960 -0.000 0.000 0.290 154 G HA3 0.409 4.369 3.960 -0.000 0.000 0.290 154 G C 0.408 175.337 174.900 0.049 0.000 1.098 154 G CA 0.008 45.136 45.100 0.047 0.000 1.073 154 G HN 1.974 nan 8.290 nan 0.000 0.511 155 G N -0.163 108.663 108.800 0.044 0.000 2.376 155 G HA2 0.695 4.655 3.960 -0.000 0.000 0.302 155 G HA3 0.695 4.655 3.960 -0.000 0.000 0.302 155 G C -3.605 171.318 174.900 0.037 0.000 1.586 155 G CA 0.154 45.273 45.100 0.032 0.000 0.907 155 G HN 0.775 nan 8.290 nan 0.000 0.655 156 P HA 0.442 nan 4.420 nan 0.000 0.185 156 P C -0.879 176.411 177.300 -0.016 0.000 1.858 156 P CA -0.601 62.503 63.100 0.007 0.000 1.348 156 P CB 0.656 32.349 31.700 -0.011 0.000 1.556 157 I N 3.974 124.559 120.570 0.024 0.000 2.371 157 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 157 I C 1.089 177.183 176.117 -0.038 0.000 1.028 157 I CA -0.601 60.705 61.300 0.009 0.000 1.345 157 I CB 0.264 38.334 38.000 0.117 0.000 1.407 157 I HN 0.223 nan 8.210 nan 0.000 0.501 158 I N 2.919 123.338 120.570 -0.253 0.000 2.330 158 I HA 0.798 4.968 4.170 -0.000 0.000 0.289 158 I C 0.538 176.047 176.117 -1.014 0.000 1.001 158 I CA -0.510 60.473 61.300 -0.528 0.000 1.193 158 I CB 1.081 38.763 38.000 -0.530 0.000 1.345 158 I HN 0.622 nan 8.210 nan 0.000 0.461 159 G N 5.749 113.434 108.800 -1.858 0.000 2.543 159 G HA2 0.515 4.475 3.960 -0.000 0.000 0.290 159 G HA3 0.515 4.475 3.960 -0.000 0.000 0.290 159 G C -2.547 171.828 174.900 -0.875 0.000 1.310 159 G CA -1.430 42.147 45.100 -2.538 0.000 1.025 159 G HN 0.543 nan 8.290 nan 0.000 0.502 160 P HA 0.186 nan 4.420 nan 0.000 0.269 160 P C 0.168 177.866 177.300 0.665 0.000 1.211 160 P CA 0.302 63.595 63.100 0.322 0.000 0.781 160 P CB 0.915 32.808 31.700 0.321 0.000 0.877 161 G N -0.106 108.880 108.800 0.309 0.000 2.766 161 G HA2 0.561 4.521 3.960 -0.000 0.000 0.288 161 G HA3 0.561 4.521 3.960 -0.000 0.000 0.288 161 G C -1.808 172.347 174.900 -1.243 0.000 1.408 161 G CA -0.370 44.573 45.100 -0.263 0.000 0.852 161 G HN 0.528 nan 8.290 nan 0.000 0.487 162 Q N -0.857 117.831 119.800 -1.854 0.000 2.313 162 Q HA 0.398 4.738 4.340 -0.000 0.000 0.260 162 Q C -1.534 173.857 176.000 -1.016 0.000 0.972 162 Q CA -0.729 54.074 55.803 -1.667 0.000 0.886 162 Q CB 1.126 28.553 28.738 -2.185 0.000 1.373 162 Q HN 0.582 nan 8.270 nan 0.000 0.416 163 W N 4.176 125.045 121.300 -0.719 0.000 2.470 163 W HA 0.145 4.805 4.660 -0.000 0.000 0.341 163 W C 0.220 176.562 176.519 -0.295 0.000 1.199 163 W CA 0.419 57.564 57.345 -0.333 0.000 1.339 163 W CB 0.130 29.494 29.460 -0.159 0.000 1.178 163 W HN 0.465 nan 8.180 nan 0.000 0.578 164 I N 2.340 122.932 120.570 0.036 0.000 2.493 164 I HA 0.055 4.225 4.170 -0.000 0.000 0.279 164 I C -0.101 175.994 176.117 -0.037 0.000 1.045 164 I CA -0.834 60.467 61.300 0.003 0.000 1.106 164 I CB 1.076 39.096 38.000 0.034 0.000 1.216 164 I HN 0.317 nan 8.210 nan 0.000 0.459 165 E N 6.754 126.933 120.200 -0.036 0.000 1.795 165 E HA 0.245 4.595 4.350 -0.000 0.000 0.261 165 E C -0.280 176.278 176.600 -0.071 0.000 1.238 165 E CA -0.052 56.298 56.400 -0.084 0.000 1.001 165 E CB 0.491 30.154 29.700 -0.061 0.000 1.065 165 E HN 0.486 nan 8.360 nan 0.000 0.418 166 I N 3.253 123.763 120.570 -0.100 0.000 2.472 166 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 166 I C 0.499 176.583 176.117 -0.056 0.000 1.016 166 I CA 0.027 61.304 61.300 -0.038 0.000 1.348 166 I CB 0.816 38.821 38.000 0.007 0.000 1.417 166 I HN 0.151 nan 8.210 nan 0.000 0.521 167 K N 3.318 123.708 120.400 -0.017 0.000 2.395 167 K HA 0.812 5.132 4.320 -0.000 0.000 0.247 167 K C -0.074 176.532 176.600 0.011 0.000 0.973 167 K CA -0.610 55.667 56.287 -0.017 0.000 0.828 167 K CB 2.363 34.852 32.500 -0.017 0.000 1.272 167 K HN 0.871 nan 8.250 nan 0.000 0.439 168 G N 1.207 110.013 108.800 0.010 0.000 2.341 168 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.196 168 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.196 168 G C -1.953 172.968 174.900 0.035 0.000 1.231 168 G CA -0.420 44.697 45.100 0.028 0.000 1.155 168 G HN 0.725 nan 8.290 nan 0.000 0.529 169 D N -0.603 119.829 120.400 0.053 0.000 2.757 169 D HA 0.424 5.064 4.640 -0.000 0.000 0.249 169 D C 1.383 177.736 176.300 0.089 0.000 1.168 169 D CA -0.485 53.551 54.000 0.061 0.000 0.870 169 D CB 1.643 42.474 40.800 0.051 0.000 1.411 169 D HN 0.596 nan 8.370 nan 0.000 0.525 170 M N 1.933 121.588 119.600 0.092 0.000 2.143 170 M HA -0.253 4.227 4.480 -0.000 0.000 0.258 170 M C 1.875 178.261 176.300 0.143 0.000 1.071 170 M CA 2.025 57.395 55.300 0.118 0.000 1.088 170 M CB -0.131 32.525 32.600 0.093 0.000 1.360 170 M HN 0.637 nan 8.290 nan 0.000 0.404 171 A N 0.565 123.446 122.820 0.101 0.000 2.038 171 A HA -0.266 4.054 4.320 -0.000 0.000 0.224 171 A C 1.523 179.162 177.584 0.092 0.000 1.190 171 A CA 2.368 54.456 52.037 0.085 0.000 0.668 171 A CB -0.858 18.178 19.000 0.060 0.000 0.820 171 A HN 0.630 nan 8.150 nan 0.000 0.474 172 D N -2.239 118.228 120.400 0.111 0.000 2.230 172 D HA 0.223 4.863 4.640 -0.000 0.000 0.274 172 D C 0.549 176.939 176.300 0.149 0.000 1.222 172 D CA 0.360 54.419 54.000 0.099 0.000 0.943 172 D CB -0.654 40.200 40.800 0.090 0.000 0.920 172 D HN 0.302 nan 8.370 nan 0.000 0.300 173 F N 1.128 121.095 119.950 0.029 0.000 1.730 173 F HA -0.311 4.216 4.527 -0.000 0.000 0.241 173 F C -0.562 175.255 175.800 0.029 0.000 0.756 173 F CA 0.574 58.594 58.000 0.033 0.000 0.645 173 F CB -0.064 38.962 39.000 0.043 0.000 0.893 173 F HN 0.030 nan 8.300 nan 0.000 0.670 174 K N 4.465 124.166 120.400 -1.166 0.000 2.695 174 K HA 0.157 4.477 4.320 -0.000 0.000 0.255 174 K C -1.606 174.442 176.600 -0.920 0.000 1.016 174 K CA -0.901 54.835 56.287 -0.918 0.000 0.928 174 K CB 1.432 33.710 32.500 -0.370 0.000 1.235 174 K HN 0.517 nan 8.250 nan 0.000 0.467 175 D N 4.858 124.703 120.400 -0.924 0.000 2.365 175 D HA 0.208 4.848 4.640 -0.000 0.000 0.237 175 D C -2.225 173.989 176.300 -0.144 0.000 1.190 175 D CA -1.637 52.178 54.000 -0.308 0.000 0.867 175 D CB 1.073 41.941 40.800 0.112 0.000 1.050 175 D HN 0.155 nan 8.370 nan 0.000 0.491 176 P HA 0.550 nan 4.420 nan 0.000 0.317 176 P C -0.837 176.443 177.300 -0.033 0.000 1.301 176 P CA -0.711 62.344 63.100 -0.075 0.000 0.799 176 P CB 2.224 33.870 31.700 -0.091 0.000 1.344 177 V N -2.812 117.080 119.914 -0.036 0.000 3.122 177 V HA 0.364 4.484 4.120 -0.000 0.000 0.269 177 V C -2.009 174.067 176.094 -0.030 0.000 1.924 177 V CA -0.263 62.026 62.300 -0.019 0.000 0.951 177 V CB 1.228 33.056 31.823 0.008 0.000 1.337 177 V HN 0.751 nan 8.190 nan 0.000 0.450 178 T N 3.143 117.687 114.554 -0.016 0.000 3.237 178 T HA 0.509 4.859 4.350 -0.000 0.000 0.319 178 T C -0.746 173.955 174.700 0.002 0.000 1.037 178 T CA -0.259 61.829 62.100 -0.020 0.000 1.048 178 T CB 0.937 69.787 68.868 -0.029 0.000 1.081 178 T HN 0.990 nan 8.240 nan 0.000 0.455 179 L N 2.751 123.982 121.223 0.013 0.000 2.514 179 L HA 0.292 4.632 4.340 -0.000 0.000 0.280 179 L C 1.922 178.806 176.870 0.023 0.000 1.223 179 L CA -0.589 54.270 54.840 0.033 0.000 0.864 179 L CB -0.042 42.051 42.059 0.056 0.000 1.118 179 L HN 0.634 nan 8.230 nan 0.000 0.494 180 L N 0.671 121.910 121.223 0.026 0.000 2.082 180 L HA -0.312 4.028 4.340 -0.000 0.000 0.223 180 L C 1.950 178.830 176.870 0.018 0.000 1.086 180 L CA 1.687 56.540 54.840 0.021 0.000 0.793 180 L CB -0.850 41.225 42.059 0.026 0.000 0.896 180 L HN 0.826 nan 8.230 nan 0.000 0.441 181 D N -0.110 120.305 120.400 0.026 0.000 2.397 181 D HA -0.167 4.473 4.640 -0.000 0.000 0.219 181 D C 1.767 178.072 176.300 0.008 0.000 0.975 181 D CA 1.417 55.431 54.000 0.022 0.000 0.940 181 D CB -0.157 40.664 40.800 0.035 0.000 0.884 181 D HN 0.662 nan 8.370 nan 0.000 0.505 182 G N -0.008 108.793 108.800 0.002 0.000 2.284 182 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.247 182 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.247 182 G C 0.627 175.515 174.900 -0.021 0.000 1.012 182 G CA 0.434 45.529 45.100 -0.009 0.000 0.618 182 G HN 0.350 nan 8.290 nan 0.000 0.521 183 T N 3.004 117.545 114.554 -0.022 0.000 2.800 183 T HA 0.372 4.721 4.350 -0.000 0.000 0.283 183 T C 0.687 175.343 174.700 -0.073 0.000 0.999 183 T CA 1.188 63.260 62.100 -0.047 0.000 1.176 183 T CB 0.582 69.424 68.868 -0.043 0.000 0.973 183 T HN 0.426 nan 8.240 nan 0.000 0.519 184 T N 4.421 118.923 114.554 -0.086 0.000 2.737 184 T HA 0.458 4.808 4.350 -0.000 0.000 0.296 184 T C 0.514 175.119 174.700 -0.159 0.000 0.922 184 T CA -0.799 61.243 62.100 -0.097 0.000 1.079 184 T CB 0.115 68.936 68.868 -0.079 0.000 0.892 184 T HN 0.566 nan 8.240 nan 0.000 0.514 185 V N 0.480 120.287 119.914 -0.178 0.000 2.769 185 V HA 0.713 4.833 4.120 -0.000 0.000 0.312 185 V C -0.762 175.230 176.094 -0.170 0.000 1.061 185 V CA -1.328 60.802 62.300 -0.283 0.000 0.931 185 V CB 2.178 33.730 31.823 -0.452 0.000 1.010 185 V HN 0.671 nan 8.190 nan 0.000 0.433 186 D N 2.225 122.526 120.400 -0.164 0.000 2.349 186 D HA 0.431 5.071 4.640 -0.000 0.000 0.232 186 D C 0.499 176.804 176.300 0.009 0.000 1.071 186 D CA -0.540 53.407 54.000 -0.088 0.000 0.832 186 D CB 1.764 42.506 40.800 -0.097 0.000 1.086 186 D HN 0.479 nan 8.370 nan 0.000 0.504 187 L N 3.420 124.665 121.223 0.037 0.000 1.988 187 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 187 L C 1.761 178.708 176.870 0.128 0.000 1.071 187 L CA 1.635 56.547 54.840 0.120 0.000 0.744 187 L CB -0.799 41.324 42.059 0.107 0.000 0.893 187 L HN 0.625 nan 8.230 nan 0.000 0.433 188 E N -0.607 119.660 120.200 0.113 0.000 2.517 188 E HA -0.133 4.217 4.350 -0.000 0.000 0.207 188 E C -0.129 176.543 176.600 0.120 0.000 1.144 188 E CA 1.026 57.525 56.400 0.165 0.000 0.920 188 E CB -0.110 29.764 29.700 0.289 0.000 0.867 188 E HN 0.574 nan 8.360 nan 0.000 0.580 189 T N -1.568 113.049 114.554 0.106 0.000 4.310 189 T HA 0.012 4.362 4.350 -0.000 0.000 0.322 189 T C -0.541 174.249 174.700 0.149 0.000 0.881 189 T CA -0.510 61.646 62.100 0.094 0.000 0.886 189 T CB -0.534 68.364 68.868 0.051 0.000 1.081 189 T HN 0.202 nan 8.240 nan 0.000 0.546 190 Y N 1.529 121.835 120.300 0.009 0.000 2.304 190 Y HA 0.424 4.974 4.550 -0.000 0.000 0.328 190 Y C 1.410 177.320 175.900 0.017 0.000 1.123 190 Y CA 0.437 58.541 58.100 0.006 0.000 1.218 190 Y CB 0.808 39.272 38.460 0.005 0.000 1.207 190 Y HN 0.366 nan 8.280 nan 0.000 0.495 191 G N 5.324 114.231 108.800 0.177 0.000 2.353 191 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.258 191 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.258 191 G C 0.937 175.835 174.900 -0.002 0.000 1.013 191 G CA 0.767 45.804 45.100 -0.105 0.000 0.622 191 G HN 0.811 nan 8.290 nan 0.000 0.535 192 I N 0.708 121.297 120.570 0.031 0.000 2.290 192 I HA -0.235 3.934 4.170 -0.000 0.000 0.253 192 I C 2.379 178.517 176.117 0.034 0.000 1.112 192 I CA 2.025 63.366 61.300 0.068 0.000 1.377 192 I CB -0.332 37.677 38.000 0.015 0.000 1.060 192 I HN 0.235 nan 8.210 nan 0.000 0.428 193 D N 0.479 120.871 120.400 -0.012 0.000 2.078 193 D HA -0.210 4.430 4.640 -0.000 0.000 0.193 193 D C 2.246 178.606 176.300 0.101 0.000 0.990 193 D CA 1.209 55.196 54.000 -0.022 0.000 0.827 193 D CB -0.108 40.694 40.800 0.004 0.000 0.975 193 D HN 0.119 nan 8.370 nan 0.000 0.451 194 R N 0.348 120.912 120.500 0.107 0.000 2.134 194 R HA -0.206 4.134 4.340 -0.000 0.000 0.248 194 R C 2.220 178.664 176.300 0.241 0.000 1.143 194 R CA 1.494 57.679 56.100 0.142 0.000 0.957 194 R CB -0.531 29.808 30.300 0.065 0.000 0.867 194 R HN 0.235 nan 8.270 nan 0.000 0.441 195 I N -0.147 120.580 120.570 0.262 0.000 2.032 195 I HA -0.388 3.782 4.170 -0.000 0.000 0.228 195 I C 2.051 178.468 176.117 0.501 0.000 1.030 195 I CA 2.060 63.581 61.300 0.368 0.000 1.318 195 I CB -0.799 37.410 38.000 0.348 0.000 1.049 195 I HN 0.314 nan 8.210 nan 0.000 0.387 196 Y N 0.650 121.069 120.300 0.198 0.000 2.215 196 Y HA -0.325 4.225 4.550 0.000 0.000 0.282 196 Y C 2.407 178.385 175.900 0.131 0.000 1.207 196 Y CA 0.600 58.786 58.100 0.143 0.000 1.196 196 Y CB -0.611 37.833 38.460 -0.026 0.000 0.969 196 Y HN 0.314 nan 8.280 nan 0.000 0.528 197 A N -2.207 120.814 122.820 0.335 0.000 2.235 197 A HA -0.087 4.233 4.320 -0.000 0.000 0.208 197 A C 1.494 179.294 177.584 0.359 0.000 1.172 197 A CA 1.185 53.373 52.037 0.251 0.000 0.786 197 A CB -0.539 18.580 19.000 0.198 0.000 0.804 197 A HN 0.804 nan 8.150 nan 0.000 0.479 198 W N -3.049 118.415 121.300 0.273 0.000 4.423 198 W HA 0.193 4.853 4.660 -0.000 0.000 0.172 198 W C 0.933 177.717 176.519 0.442 0.000 1.081 198 W CA 0.372 57.916 57.345 0.330 0.000 1.641 198 W CB 0.217 29.853 29.460 0.294 0.000 0.580 198 W HN 0.291 nan 8.180 nan 0.000 0.989 199 H N 0.343 119.807 119.070 0.657 0.000 2.787 199 H HA 0.143 4.699 4.556 -0.000 0.000 0.302 199 H C 0.514 176.015 175.328 0.288 0.000 1.098 199 H CA 1.373 57.712 56.048 0.485 0.000 1.192 199 H CB -0.548 29.433 29.762 0.365 0.000 1.316 199 H HN 0.243 nan 8.280 nan 0.000 0.590 200 F N -1.093 118.884 119.950 0.046 0.000 2.360 200 F HA 0.284 4.811 4.527 -0.000 0.000 0.295 200 F C -1.906 173.817 175.800 -0.129 0.000 0.844 200 F CA -0.588 57.381 58.000 -0.052 0.000 1.072 200 F CB 0.213 39.215 39.000 0.004 0.000 1.005 200 F HN -0.043 nan 8.300 nan 0.000 0.727 201 P HA -0.004 nan 4.420 nan 0.000 0.301 201 P C -0.793 175.995 177.300 -0.853 0.000 1.560 201 P CA 1.491 64.404 63.100 -0.313 0.000 0.784 201 P CB -0.836 30.657 31.700 -0.345 0.000 1.715 202 W N -2.609 118.451 121.300 -0.400 0.000 3.330 202 W HA 0.248 4.908 4.660 -0.000 0.000 0.194 202 W C 1.671 177.965 176.519 -0.373 0.000 1.041 202 W CA -0.027 57.080 57.345 -0.395 0.000 1.399 202 W CB -0.423 28.746 29.460 -0.484 0.000 0.694 202 W HN -0.183 nan 8.180 nan 0.000 0.832 203 M N 0.543 119.973 119.600 -0.283 0.000 2.686 203 M HA 0.023 4.503 4.480 -0.000 0.000 0.246 203 M C 1.181 177.231 176.300 -0.418 0.000 1.096 203 M CA 1.303 56.378 55.300 -0.375 0.000 1.076 203 M CB -0.204 32.059 32.600 -0.562 0.000 1.504 203 M HN 0.075 nan 8.290 nan 0.000 0.524 204 I N -0.162 120.172 120.570 -0.394 0.000 2.834 204 I HA 0.023 4.193 4.170 -0.000 0.000 0.239 204 I C 2.152 178.146 176.117 -0.205 0.000 1.073 204 I CA 0.340 61.458 61.300 -0.303 0.000 1.459 204 I CB -0.359 37.471 38.000 -0.284 0.000 1.288 204 I HN 0.134 nan 8.210 nan 0.000 0.455 205 A N 1.026 123.706 122.820 -0.234 0.000 2.253 205 A HA 0.152 4.472 4.320 -0.000 0.000 0.203 205 A C 2.002 179.553 177.584 -0.054 0.000 1.272 205 A CA 1.169 53.122 52.037 -0.141 0.000 0.847 205 A CB -0.792 18.105 19.000 -0.171 0.000 0.772 205 A HN 0.480 nan 8.150 nan 0.000 0.494 206 A N -0.064 122.706 122.820 -0.084 0.000 1.850 206 A HA 0.345 4.665 4.320 -0.000 0.000 0.212 206 A C 2.421 180.003 177.584 -0.003 0.000 1.208 206 A CA 1.229 53.229 52.037 -0.062 0.000 0.609 206 A CB -1.098 17.831 19.000 -0.119 0.000 0.860 206 A HN 1.073 nan 8.150 nan 0.000 0.448 207 A N 0.089 122.889 122.820 -0.032 0.000 2.024 207 A HA 0.137 4.457 4.320 -0.000 0.000 0.220 207 A C 2.279 179.901 177.584 0.064 0.000 1.164 207 A CA 1.873 53.906 52.037 -0.006 0.000 0.643 207 A CB -0.995 17.982 19.000 -0.038 0.000 0.806 207 A HN 1.224 nan 8.150 nan 0.000 0.451 208 A N -2.643 120.226 122.820 0.082 0.000 2.245 208 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 208 A C 1.779 179.551 177.584 0.313 0.000 1.171 208 A CA 1.261 53.406 52.037 0.180 0.000 0.688 208 A CB -0.575 18.509 19.000 0.139 0.000 0.781 208 A HN 0.871 nan 8.150 nan 0.000 0.479 209 W N -1.461 119.757 121.300 -0.136 0.000 4.011 209 W HA 0.115 4.775 4.660 -0.000 0.000 0.213 209 W C 1.503 177.981 176.519 -0.068 0.000 1.060 209 W CA 0.236 57.420 57.345 -0.267 0.000 1.775 209 W CB 0.135 29.448 29.460 -0.244 0.000 0.793 209 W HN 0.200 nan 8.180 nan 0.000 0.863 210 I N 1.673 122.347 120.570 0.172 0.000 2.546 210 I HA -0.467 3.703 4.170 -0.000 0.000 0.199 210 I C 2.344 178.466 176.117 0.009 0.000 0.936 210 I CA 1.776 63.104 61.300 0.046 0.000 1.276 210 I CB -1.357 36.624 38.000 -0.031 0.000 0.989 210 I HN -0.105 nan 8.210 nan 0.000 0.371 211 L N -0.877 120.330 121.223 -0.026 0.000 1.941 211 L HA -0.328 4.012 4.340 -0.000 0.000 0.224 211 L C 2.680 179.701 176.870 0.251 0.000 1.081 211 L CA 1.861 56.713 54.840 0.019 0.000 0.784 211 L CB -1.079 40.985 42.059 0.009 0.000 0.894 211 L HN 0.341 nan 8.230 nan 0.000 0.436 212 Y N -0.349 119.980 120.300 0.048 0.000 2.248 212 Y HA -0.322 4.228 4.550 -0.000 0.000 0.274 212 Y C 1.402 177.599 175.900 0.495 0.000 1.277 212 Y CA 1.118 59.267 58.100 0.081 0.000 1.140 212 Y CB -0.580 37.758 38.460 -0.202 0.000 0.934 212 Y HN 0.222 nan 8.280 nan 0.000 0.529 213 W N -1.147 120.238 121.300 0.142 0.000 2.220 213 W HA 0.185 4.845 4.660 -0.000 0.000 0.380 213 W C -0.096 176.642 176.519 0.365 0.000 0.682 213 W CA -0.386 57.012 57.345 0.087 0.000 2.400 213 W CB -0.418 28.940 29.460 -0.170 0.000 1.825 213 W HN -0.088 nan 8.180 nan 0.000 0.687 214 F N -0.594 119.546 119.950 0.317 0.000 2.936 214 F HA 0.113 4.640 4.527 -0.000 0.000 0.334 214 F C 0.800 176.733 175.800 0.222 0.000 1.170 214 F CA -0.917 57.196 58.000 0.189 0.000 1.104 214 F CB -0.479 38.620 39.000 0.166 0.000 1.216 214 F HN -0.078 nan 8.300 nan 0.000 0.518 215 F N 0.894 120.974 119.950 0.216 0.000 2.243 215 F HA 0.270 4.797 4.527 -0.000 0.000 0.287 215 F C 1.292 177.072 175.800 -0.033 0.000 1.067 215 F CA 0.968 59.038 58.000 0.117 0.000 1.304 215 F CB -0.014 39.125 39.000 0.232 0.000 1.087 215 F HN -0.396 nan 8.300 nan 0.000 0.513 216 K N 2.656 122.978 120.400 -0.130 0.000 3.000 216 K HA 0.059 4.379 4.320 -0.000 0.000 0.265 216 K C -0.698 175.736 176.600 -0.278 0.000 1.260 216 K CA 0.007 56.074 56.287 -0.368 0.000 1.209 216 K CB -0.965 31.188 32.500 -0.578 0.000 1.484 216 K HN -0.019 nan 8.250 nan 0.000 0.283 217 K N -0.561 119.697 120.400 -0.236 0.000 6.706 217 K HA -0.189 4.131 4.320 -0.000 0.000 0.669 217 K C 0.654 177.084 176.600 -0.283 0.000 2.465 217 K CA 1.061 57.208 56.287 -0.232 0.000 1.801 217 K CB -0.978 31.401 32.500 -0.202 0.000 1.883 217 K HN 0.620 nan 8.250 nan 0.000 0.285 218 G N 1.988 110.501 108.800 -0.480 0.000 2.527 218 G HA2 0.305 4.265 3.960 -0.000 0.000 0.279 218 G HA3 0.305 4.265 3.960 -0.000 0.000 0.279 218 G C 0.763 175.476 174.900 -0.313 0.000 1.374 218 G CA -0.049 44.627 45.100 -0.706 0.000 1.053 218 G HN 0.742 nan 8.290 nan 0.000 0.539 219 I N -2.196 118.247 120.570 -0.212 0.000 3.466 219 I HA 0.194 4.364 4.170 -0.000 0.000 0.272 219 I C 1.668 177.759 176.117 -0.043 0.000 1.305 219 I CA 0.191 61.456 61.300 -0.058 0.000 1.307 219 I CB -0.178 37.828 38.000 0.010 0.000 1.365 219 I HN 0.769 nan 8.210 nan 0.000 0.629 220 I N -0.539 120.065 120.570 0.056 0.000 4.823 220 I HA -0.452 3.718 4.170 -0.000 0.000 0.040 220 I C 1.886 177.997 176.117 -0.010 0.000 0.632 220 I CA 1.974 63.298 61.300 0.040 0.000 0.503 220 I CB -1.700 36.293 38.000 -0.012 0.000 0.507 220 I HN 0.937 nan 8.210 nan 0.000 0.153 221 A N -0.518 122.262 122.820 -0.066 0.000 2.234 221 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 221 A C 2.015 179.549 177.584 -0.083 0.000 1.167 221 A CA 2.584 54.567 52.037 -0.090 0.000 0.698 221 A CB -0.375 18.549 19.000 -0.127 0.000 0.779 221 A HN 0.584 nan 8.150 nan 0.000 0.475 222 S N -2.867 112.803 115.700 -0.050 0.000 2.564 222 S HA 0.125 4.595 4.470 -0.000 0.000 0.231 222 S C 1.584 176.221 174.600 0.061 0.000 1.067 222 S CA 0.012 58.190 58.200 -0.037 0.000 0.908 222 S CB -0.354 62.805 63.200 -0.068 0.000 0.809 222 S HN 0.637 nan 8.310 nan 0.000 0.491 223 Y N 2.979 123.237 120.300 -0.069 0.000 2.060 223 Y HA 0.048 4.597 4.550 -0.000 0.000 0.276 223 Y C 1.807 177.678 175.900 -0.048 0.000 1.127 223 Y CA 1.262 59.333 58.100 -0.049 0.000 1.104 223 Y CB -1.037 37.400 38.460 -0.038 0.000 0.983 223 Y HN 0.132 nan 8.280 nan 0.000 0.483 224 L N 0.420 121.613 121.223 -0.051 0.000 2.191 224 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 224 L C 2.306 179.152 176.870 -0.040 0.000 1.103 224 L CA 1.426 56.173 54.840 -0.156 0.000 0.769 224 L CB -0.403 41.541 42.059 -0.191 0.000 0.908 224 L HN 0.086 nan 8.230 nan 0.000 0.438 225 R N -0.189 120.303 120.500 -0.013 0.000 2.366 225 R HA -0.088 4.252 4.340 -0.000 0.000 0.201 225 R C 1.153 177.453 176.300 -0.000 0.000 1.057 225 R CA 0.884 56.968 56.100 -0.026 0.000 1.086 225 R CB -0.016 30.254 30.300 -0.049 0.000 0.914 225 R HN 0.241 nan 8.270 nan 0.000 0.476 226 I N -2.667 117.934 120.570 0.052 0.000 3.746 226 I HA 0.060 4.230 4.170 -0.000 0.000 0.262 226 I C 1.662 177.818 176.117 0.066 0.000 1.153 226 I CA 0.522 61.861 61.300 0.066 0.000 1.395 226 I CB -0.673 37.394 38.000 0.111 0.000 1.589 226 I HN 0.162 nan 8.210 nan 0.000 0.441 227 S N 0.787 116.552 115.700 0.109 0.000 2.353 227 S HA -0.184 4.286 4.470 -0.000 0.000 0.222 227 S C 0.705 175.316 174.600 0.018 0.000 1.035 227 S CA 1.158 59.401 58.200 0.072 0.000 1.025 227 S CB -0.329 62.910 63.200 0.066 0.000 0.902 227 S HN 0.300 nan 8.310 nan 0.000 0.440 228 E N 1.687 121.883 120.200 -0.008 0.000 2.558 228 E HA 0.325 4.675 4.350 -0.000 0.000 0.235 228 E C 0.817 177.408 176.600 -0.015 0.000 1.217 228 E CA 0.796 57.183 56.400 -0.022 0.000 0.955 228 E CB -0.939 28.739 29.700 -0.037 0.000 1.027 228 E HN 0.572 nan 8.360 nan 0.000 0.491 229 G N 3.539 112.333 108.800 -0.011 0.000 2.726 229 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.261 229 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.261 229 G C -0.454 174.441 174.900 -0.009 0.000 1.352 229 G CA -0.202 44.892 45.100 -0.011 0.000 0.906 229 G HN 0.540 nan 8.290 nan 0.000 0.566 230 K N 0.679 121.073 120.400 -0.011 0.000 2.414 230 K HA 0.248 4.568 4.320 -0.000 0.000 0.272 230 K C -0.667 175.923 176.600 -0.018 0.000 0.993 230 K CA 0.527 56.807 56.287 -0.011 0.000 0.964 230 K CB 0.433 32.925 32.500 -0.012 0.000 0.925 230 K HN 0.445 nan 8.250 nan 0.000 0.487 231 D N 2.757 123.146 120.400 -0.019 0.000 2.363 231 D HA 0.001 4.641 4.640 -0.000 0.000 0.258 231 D C 0.319 176.594 176.300 -0.041 0.000 1.259 231 D CA -0.094 53.888 54.000 -0.031 0.000 0.921 231 D CB 1.090 41.875 40.800 -0.025 0.000 1.201 231 D HN 0.593 nan 8.370 nan 0.000 0.524 232 E N 1.118 121.290 120.200 -0.046 0.000 2.481 232 E HA -0.040 4.310 4.350 -0.000 0.000 0.198 232 E C 0.731 177.285 176.600 -0.078 0.000 1.027 232 E CA 0.057 56.425 56.400 -0.052 0.000 0.900 232 E CB 0.401 30.079 29.700 -0.036 0.000 0.993 232 E HN 0.174 nan 8.360 nan 0.000 0.482 233 E N 1.850 121.999 120.200 -0.086 0.000 2.187 233 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 233 E C 1.781 178.285 176.600 -0.160 0.000 1.004 233 E CA 1.242 57.575 56.400 -0.113 0.000 0.813 233 E CB -0.321 29.313 29.700 -0.110 0.000 0.736 233 E HN 0.408 nan 8.360 nan 0.000 0.468 234 Q N 0.185 119.886 119.800 -0.164 0.000 2.062 234 Q HA 0.075 4.415 4.340 -0.000 0.000 0.196 234 Q C 2.382 178.239 176.000 -0.239 0.000 0.967 234 Q CA 0.826 56.487 55.803 -0.237 0.000 0.832 234 Q CB -0.127 28.494 28.738 -0.196 0.000 0.899 234 Q HN 0.371 nan 8.270 nan 0.000 0.442 235 I N -0.515 119.972 120.570 -0.139 0.000 5.843 235 I HA 0.269 4.439 4.170 -0.000 0.000 0.225 235 I C 1.348 177.430 176.117 -0.058 0.000 0.899 235 I CA 0.480 61.729 61.300 -0.085 0.000 1.640 235 I CB -0.839 37.139 38.000 -0.037 0.000 1.397 235 I HN 0.297 nan 8.210 nan 0.000 0.452 236 G N 0.576 109.358 108.800 -0.031 0.000 2.692 236 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 236 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 236 G C -0.640 174.261 174.900 0.002 0.000 1.340 236 G CA 0.245 45.334 45.100 -0.017 0.000 0.896 236 G HN 0.487 nan 8.290 nan 0.000 0.570 237 D N -0.258 120.149 120.400 0.012 0.000 2.182 237 D HA 0.379 5.019 4.640 -0.000 0.000 0.284 237 D C 1.627 177.953 176.300 0.044 0.000 1.152 237 D CA 0.645 54.664 54.000 0.031 0.000 1.032 237 D CB 0.001 40.820 40.800 0.031 0.000 1.140 237 D HN 0.718 nan 8.370 nan 0.000 0.505 238 D N -0.598 119.839 120.400 0.062 0.000 4.450 238 D HA -0.295 4.345 4.640 -0.000 0.000 0.209 238 D C 1.320 177.692 176.300 0.121 0.000 0.603 238 D CA 2.215 56.270 54.000 0.090 0.000 1.127 238 D CB -1.139 39.709 40.800 0.080 0.000 0.621 238 D HN 0.468 nan 8.370 nan 0.000 0.431 239 D N 0.867 121.332 120.400 0.108 0.000 2.569 239 D HA -0.298 4.342 4.640 -0.000 0.000 0.191 239 D C 2.059 178.481 176.300 0.203 0.000 1.042 239 D CA 3.154 57.236 54.000 0.138 0.000 0.873 239 D CB -0.363 40.406 40.800 -0.052 0.000 0.946 239 D HN 0.585 nan 8.370 nan 0.000 0.467 240 R N 0.942 121.521 120.500 0.131 0.000 2.070 240 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 240 R C 2.199 178.580 176.300 0.136 0.000 1.138 240 R CA 1.351 57.534 56.100 0.137 0.000 0.936 240 R CB -0.583 29.772 30.300 0.092 0.000 0.839 240 R HN 0.182 nan 8.270 nan 0.000 0.429 241 R N 1.148 121.714 120.500 0.110 0.000 2.159 241 R HA -0.071 4.269 4.340 -0.000 0.000 0.237 241 R C 2.337 178.707 176.300 0.116 0.000 1.131 241 R CA 1.459 57.620 56.100 0.101 0.000 0.982 241 R CB -0.668 29.683 30.300 0.085 0.000 0.868 241 R HN 0.122 nan 8.270 nan 0.000 0.453 242 V N 0.740 120.737 119.914 0.139 0.000 2.287 242 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 242 V C 2.478 178.636 176.094 0.107 0.000 1.053 242 V CA 2.221 64.599 62.300 0.131 0.000 1.027 242 V CB -1.036 30.881 31.823 0.157 0.000 0.646 242 V HN 0.552 nan 8.190 nan 0.000 0.447 243 G N -0.583 108.304 108.800 0.146 0.000 2.404 243 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 243 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 243 G C 1.813 176.824 174.900 0.186 0.000 1.174 243 G CA 0.972 46.238 45.100 0.277 0.000 0.780 243 G HN 0.611 nan 8.290 nan 0.000 0.537 244 A N 0.775 123.680 122.820 0.142 0.000 1.985 244 A HA -0.172 4.148 4.320 -0.000 0.000 0.223 244 A C 2.367 180.002 177.584 0.085 0.000 1.189 244 A CA 1.725 53.821 52.037 0.099 0.000 0.658 244 A CB -0.418 18.634 19.000 0.086 0.000 0.820 244 A HN 0.430 nan 8.150 nan 0.000 0.464 245 I N -0.900 119.728 120.570 0.096 0.000 2.086 245 I HA -0.201 3.969 4.170 -0.000 0.000 0.233 245 I C 2.357 178.526 176.117 0.087 0.000 1.060 245 I CA 1.345 62.697 61.300 0.086 0.000 1.326 245 I CB -0.660 37.396 38.000 0.094 0.000 1.067 245 I HN 0.179 nan 8.210 nan 0.000 0.398 246 V N 1.585 121.567 119.914 0.114 0.000 2.311 246 V HA -0.359 3.761 4.120 -0.000 0.000 0.256 246 V C 2.398 178.520 176.094 0.045 0.000 1.077 246 V CA 1.887 64.252 62.300 0.107 0.000 1.067 246 V CB -0.945 31.007 31.823 0.215 0.000 0.659 246 V HN 0.439 nan 8.190 nan 0.000 0.451 247 L N 0.611 121.854 121.223 0.034 0.000 1.970 247 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 247 L C 2.574 179.458 176.870 0.024 0.000 1.071 247 L CA 2.957 57.796 54.840 -0.001 0.000 0.751 247 L CB -1.410 40.655 42.059 0.009 0.000 0.889 247 L HN 0.358 nan 8.230 nan 0.000 0.432 248 A N -0.644 122.200 122.820 0.040 0.000 1.940 248 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 248 A C 2.331 179.950 177.584 0.057 0.000 1.176 248 A CA 1.914 53.978 52.037 0.045 0.000 0.631 248 A CB -0.890 18.137 19.000 0.046 0.000 0.814 248 A HN 0.382 nan 8.150 nan 0.000 0.446 249 V N -0.175 119.776 119.914 0.062 0.000 2.220 249 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 249 V C 2.763 178.914 176.094 0.096 0.000 1.049 249 V CA 2.625 64.966 62.300 0.068 0.000 1.003 249 V CB -1.494 30.366 31.823 0.061 0.000 0.634 249 V HN 0.623 nan 8.190 nan 0.000 0.444 250 T N 0.425 115.044 114.554 0.108 0.000 2.624 250 T HA -0.297 4.053 4.350 -0.000 0.000 0.268 250 T C 1.842 176.654 174.700 0.187 0.000 1.041 250 T CA 2.414 64.633 62.100 0.199 0.000 1.159 250 T CB -0.459 68.489 68.868 0.133 0.000 0.863 250 T HN 0.499 nan 8.240 nan 0.000 0.434 251 I N 0.542 121.167 120.570 0.091 0.000 2.202 251 I HA -0.125 4.045 4.170 -0.000 0.000 0.242 251 I C 2.035 178.213 176.117 0.102 0.000 1.091 251 I CA 1.302 62.644 61.300 0.069 0.000 1.368 251 I CB -0.167 37.851 38.000 0.030 0.000 1.058 251 I HN 0.133 nan 8.210 nan 0.000 0.410 252 L N 1.321 122.601 121.223 0.095 0.000 2.127 252 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 252 L C 2.450 179.399 176.870 0.131 0.000 1.089 252 L CA 1.887 56.785 54.840 0.096 0.000 0.757 252 L CB -1.732 40.373 42.059 0.076 0.000 0.899 252 L HN 0.407 nan 8.230 nan 0.000 0.434 253 A N -1.849 121.069 122.820 0.164 0.000 2.310 253 A HA 0.127 4.447 4.320 -0.000 0.000 0.230 253 A C 1.683 179.475 177.584 0.346 0.000 1.294 253 A CA 0.661 52.824 52.037 0.211 0.000 0.898 253 A CB -0.407 18.695 19.000 0.170 0.000 0.917 253 A HN 0.378 nan 8.150 nan 0.000 0.491 254 T N -1.241 113.481 114.554 0.280 0.000 3.010 254 T HA 0.179 4.528 4.350 -0.000 0.000 0.252 254 T C 1.545 176.386 174.700 0.236 0.000 0.963 254 T CA 0.106 62.384 62.100 0.296 0.000 0.952 254 T CB -0.155 68.811 68.868 0.164 0.000 1.182 254 T HN 0.361 nan 8.240 nan 0.000 0.495 255 I N 1.757 122.436 120.570 0.182 0.000 2.530 255 I HA -0.135 4.035 4.170 -0.000 0.000 0.257 255 I C 1.976 178.206 176.117 0.189 0.000 1.179 255 I CA 1.148 62.555 61.300 0.179 0.000 1.440 255 I CB -0.412 37.667 38.000 0.132 0.000 1.087 255 I HN 0.269 nan 8.210 nan 0.000 0.440 256 I N 0.731 121.416 120.570 0.191 0.000 2.058 256 I HA -0.237 3.933 4.170 -0.000 0.000 0.235 256 I C 2.823 179.055 176.117 0.191 0.000 1.053 256 I CA 1.809 63.215 61.300 0.176 0.000 1.313 256 I CB -1.362 36.757 38.000 0.199 0.000 1.039 256 I HN 0.240 nan 8.210 nan 0.000 0.396 257 G N 0.181 109.146 108.800 0.276 0.000 2.599 257 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.219 257 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.219 257 G C 1.667 176.655 174.900 0.148 0.000 1.193 257 G CA 1.234 46.472 45.100 0.230 0.000 0.778 257 G HN 0.418 nan 8.290 nan 0.000 0.589 258 Y N 2.190 122.512 120.300 0.036 0.000 2.569 258 Y HA 0.143 4.693 4.550 0.000 0.000 0.293 258 Y C 2.596 178.509 175.900 0.021 0.000 1.144 258 Y CA 0.617 58.723 58.100 0.009 0.000 1.321 258 Y CB -0.145 38.321 38.460 0.010 0.000 0.982 258 Y HN 0.267 nan 8.280 nan 0.000 0.558 259 A N -1.767 121.049 122.820 -0.007 0.000 1.944 259 A HA 0.081 4.401 4.320 -0.000 0.000 0.207 259 A C 2.180 179.721 177.584 -0.072 0.000 1.265 259 A CA 0.948 52.932 52.037 -0.088 0.000 0.712 259 A CB -0.815 18.182 19.000 -0.005 0.000 0.915 259 A HN 0.155 nan 8.150 nan 0.000 0.470 260 V N 0.348 120.262 119.914 0.001 0.000 2.453 260 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 260 V C 2.296 178.394 176.094 0.008 0.000 1.048 260 V CA 2.279 64.586 62.300 0.012 0.000 1.049 260 V CB -0.868 30.993 31.823 0.063 0.000 0.672 260 V HN 0.547 nan 8.190 nan 0.000 0.457 261 T N -0.037 114.528 114.554 0.020 0.000 3.148 261 T HA -0.021 4.329 4.350 -0.000 0.000 0.253 261 T C 1.492 176.234 174.700 0.069 0.000 1.134 261 T CA 0.463 62.587 62.100 0.039 0.000 1.051 261 T CB -0.368 68.494 68.868 -0.010 0.000 0.959 261 T HN 0.367 nan 8.240 nan 0.000 0.525 262 N N 0.723 119.384 118.700 -0.064 0.000 2.230 262 N HA 0.079 4.819 4.740 -0.000 0.000 0.202 262 N C 0.537 175.820 175.510 -0.378 0.000 1.119 262 N CA 0.085 53.019 53.050 -0.193 0.000 0.851 262 N CB 0.403 38.672 38.487 -0.363 0.000 0.990 262 N HN 0.172 nan 8.380 nan 0.000 0.497 263 S N -1.631 113.941 115.700 -0.214 0.000 2.787 263 S HA 0.118 4.588 4.470 -0.000 0.000 0.255 263 S C 0.671 175.219 174.600 -0.087 0.000 1.051 263 S CA -0.284 57.785 58.200 -0.218 0.000 1.124 263 S CB 0.849 63.969 63.200 -0.133 0.000 1.104 263 S HN 0.106 nan 8.310 nan 0.000 0.623 264 T N 3.808 118.391 114.554 0.047 0.000 3.406 264 T HA 0.460 4.810 4.350 -0.000 0.000 0.244 264 T C -0.462 174.421 174.700 0.305 0.000 0.949 264 T CA -0.023 62.164 62.100 0.145 0.000 0.926 264 T CB -1.060 67.896 68.868 0.147 0.000 1.089 264 T HN 0.557 nan 8.240 nan 0.000 0.604 265 F N -1.537 118.409 119.950 -0.007 0.000 2.423 265 F HA 0.233 4.760 4.527 -0.000 0.000 0.322 265 F C -3.287 172.498 175.800 -0.025 0.000 1.089 265 F CA -1.152 56.844 58.000 -0.006 0.000 0.867 265 F CB 0.112 39.109 39.000 -0.005 0.000 3.543 265 F HN -0.132 nan 8.300 nan 0.000 0.292 266 P HA 0.144 nan 4.420 nan 0.000 0.266 266 P C -0.894 176.061 177.300 -0.575 0.000 1.087 266 P CA 0.526 63.096 63.100 -0.884 0.000 1.066 266 P CB 1.272 32.773 31.700 -0.332 0.000 1.154 267 R N 0.139 120.700 120.500 0.103 0.000 2.360 267 R HA 0.781 5.121 4.340 -0.000 0.000 0.318 267 R C -1.122 175.535 176.300 0.594 0.000 0.950 267 R CA -0.273 56.060 56.100 0.388 0.000 0.837 267 R CB 1.076 31.470 30.300 0.158 0.000 1.165 267 R HN -0.234 nan 8.270 nan 0.000 0.458 268 T N 3.967 118.750 114.554 0.382 0.000 2.916 268 T HA 0.521 4.871 4.350 -0.000 0.000 0.305 268 T C -0.090 174.559 174.700 -0.086 0.000 1.119 268 T CA -0.838 61.169 62.100 -0.155 0.000 1.008 268 T CB 1.320 69.559 68.868 -1.049 0.000 1.129 268 T HN 0.648 nan 8.240 nan 0.000 0.480 269 I N 2.167 122.679 120.570 -0.097 0.000 3.204 269 I HA 0.751 4.921 4.170 -0.000 0.000 0.313 269 I C -1.651 174.419 176.117 -0.078 0.000 1.082 269 I CA -2.093 59.173 61.300 -0.057 0.000 1.033 269 I CB 0.540 38.521 38.000 -0.031 0.000 1.304 269 I HN 0.463 nan 8.210 nan 0.000 0.536 270 P HA 0.342 nan 4.420 nan 0.000 0.342 270 P C -0.948 176.318 177.300 -0.056 0.000 1.384 270 P CA -0.263 62.804 63.100 -0.054 0.000 0.837 270 P CB 0.681 32.359 31.700 -0.037 0.000 2.025 271 L N 0.145 121.338 121.223 -0.049 0.000 2.333 271 L HA 0.315 4.655 4.340 -0.000 0.000 0.280 271 L C 0.101 176.946 176.870 -0.041 0.000 1.004 271 L CA -0.934 53.879 54.840 -0.045 0.000 0.820 271 L CB 1.665 43.696 42.059 -0.047 0.000 1.247 271 L HN 0.236 nan 8.230 nan 0.000 0.416 272 Q N 2.690 122.469 119.800 -0.035 0.000 2.261 272 Q HA 0.785 5.125 4.340 -0.000 0.000 0.252 272 Q C -0.299 175.668 176.000 -0.055 0.000 0.915 272 Q CA -0.234 55.545 55.803 -0.039 0.000 0.915 272 Q CB 2.262 30.983 28.738 -0.027 0.000 1.204 272 Q HN 0.776 nan 8.270 nan 0.000 0.421 273 A N -0.053 122.726 122.820 -0.068 0.000 2.490 273 A HA 0.821 5.141 4.320 -0.000 0.000 0.292 273 A C -0.182 177.345 177.584 -0.095 0.000 1.047 273 A CA 0.122 52.104 52.037 -0.092 0.000 0.632 273 A CB 0.888 19.834 19.000 -0.089 0.000 1.323 273 A HN 0.994 nan 8.150 nan 0.000 0.448 274 G N -1.174 107.554 108.800 -0.119 0.000 2.181 274 G HA2 0.488 4.448 3.960 -0.000 0.000 0.098 274 G HA3 0.488 4.448 3.960 -0.000 0.000 0.098 274 G C -1.352 173.469 174.900 -0.132 0.000 1.237 274 G CA 0.056 45.090 45.100 -0.110 0.000 1.238 274 G HN 1.760 nan 8.290 nan 0.000 0.468 275 L N -0.232 120.922 121.223 -0.114 0.000 2.622 275 L HA 0.629 4.969 4.340 -0.000 0.000 0.258 275 L C -1.573 175.238 176.870 -0.098 0.000 0.996 275 L CA -0.838 53.931 54.840 -0.119 0.000 0.858 275 L CB 2.354 44.347 42.059 -0.110 0.000 1.449 275 L HN 0.691 nan 8.230 nan 0.000 0.411 276 Q N 2.402 122.144 119.800 -0.097 0.000 2.397 276 Q HA 0.308 4.648 4.340 -0.000 0.000 0.260 276 Q C 0.086 176.049 176.000 -0.062 0.000 1.002 276 Q CA -0.741 55.017 55.803 -0.075 0.000 0.716 276 Q CB 1.614 30.305 28.738 -0.078 0.000 1.258 276 Q HN 0.267 nan 8.270 nan 0.000 0.477 277 K N 0.808 121.177 120.400 -0.052 0.000 2.189 277 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 277 K C -1.127 175.458 176.600 -0.025 0.000 1.046 277 K CA 1.049 57.311 56.287 -0.042 0.000 0.928 277 K CB -1.524 30.957 32.500 -0.032 0.000 0.720 277 K HN 0.591 nan 8.250 nan 0.000 0.458 278 P HA 0.012 nan 4.420 nan 0.000 0.273 278 P C 0.175 177.491 177.300 0.027 0.000 1.252 278 P CA 0.304 63.410 63.100 0.011 0.000 0.809 278 P CB 0.594 32.298 31.700 0.007 0.000 1.017 279 L N -1.629 119.644 121.223 0.084 0.000 5.612 279 L HA -0.027 4.313 4.340 -0.000 0.000 0.236 279 L C -1.041 176.007 176.870 0.296 0.000 1.224 279 L CA -0.264 54.677 54.840 0.167 0.000 0.848 279 L CB -0.320 41.780 42.059 0.068 0.000 1.504 279 L HN 0.401 nan 8.230 nan 0.000 0.316 280 T N 3.840 118.533 114.554 0.231 0.000 2.743 280 T HA 0.420 4.770 4.350 -0.000 0.000 0.293 280 T C -2.065 172.669 174.700 0.058 0.000 0.945 280 T CA -1.140 61.041 62.100 0.135 0.000 1.030 280 T CB 1.476 70.398 68.868 0.089 0.000 0.912 280 T HN 0.251 nan 8.240 nan 0.000 0.483 281 P HA 0.230 nan 4.420 nan 0.000 0.321 281 P C -0.074 177.085 177.300 -0.235 0.000 1.338 281 P CA -0.300 62.468 63.100 -0.552 0.000 0.764 281 P CB 0.439 31.818 31.700 -0.535 0.000 1.641 282 I N -1.269 119.166 120.570 -0.225 0.000 3.100 282 I HA 0.522 4.692 4.170 -0.000 0.000 0.312 282 I C 0.223 176.281 176.117 -0.097 0.000 1.063 282 I CA -0.778 60.457 61.300 -0.108 0.000 1.031 282 I CB 1.162 39.115 38.000 -0.079 0.000 1.243 282 I HN 0.191 nan 8.210 nan 0.000 0.483 296 T N 2.112 116.694 114.554 0.048 0.000 3.348 296 T HA 0.723 5.073 4.350 -0.000 0.000 0.328 296 T C -0.086 174.667 174.700 0.088 0.000 0.913 296 T CA 0.246 62.400 62.100 0.089 0.000 1.043 296 T CB 1.465 70.365 68.868 0.052 0.000 1.021 296 T HN 1.309 nan 8.240 nan 0.000 0.461 297 A N 2.332 125.219 122.820 0.112 0.000 2.272 297 A HA 0.788 5.108 4.320 -0.000 0.000 0.275 297 A C 0.946 178.580 177.584 0.083 0.000 1.096 297 A CA -0.378 51.719 52.037 0.101 0.000 0.822 297 A CB 0.548 19.614 19.000 0.109 0.000 1.088 297 A HN 0.971 nan 8.150 nan 0.000 0.495 298 E N -0.824 119.416 120.200 0.066 0.000 2.640 298 E HA 0.192 4.542 4.350 -0.000 0.000 0.197 298 E C 0.198 176.825 176.600 0.045 0.000 0.925 298 E CA 0.325 56.758 56.400 0.056 0.000 1.604 298 E CB -0.377 29.348 29.700 0.041 0.000 1.769 298 E HN 0.560 nan 8.360 nan 0.000 0.965 299 L N 1.101 122.342 121.223 0.030 0.000 4.813 299 L HA -0.253 4.087 4.340 -0.000 0.000 0.434 299 L C 0.676 177.550 176.870 0.006 0.000 1.106 299 L CA 1.028 55.874 54.840 0.010 0.000 0.991 299 L CB -1.721 40.349 42.059 0.017 0.000 2.005 299 L HN 0.218 nan 8.230 nan 0.000 0.817 300 K N 1.957 122.364 120.400 0.012 0.000 1.895 300 K HA 0.274 4.594 4.320 -0.000 0.000 0.229 300 K C 0.646 177.246 176.600 -0.000 0.000 1.161 300 K CA 1.035 57.327 56.287 0.009 0.000 1.288 300 K CB -0.626 31.880 32.500 0.010 0.000 0.962 300 K HN 0.441 nan 8.250 nan 0.000 0.326 301 G N 0.933 109.731 108.800 -0.003 0.000 2.957 301 G HA2 0.299 4.259 3.960 -0.000 0.000 0.636 301 G HA3 0.299 4.259 3.960 -0.000 0.000 0.636 301 G C -0.613 174.276 174.900 -0.019 0.000 1.401 301 G CA -0.711 44.383 45.100 -0.009 0.000 0.941 301 G HN 0.751 nan 8.290 nan 0.000 0.610 302 G N -0.985 107.807 108.800 -0.013 0.000 2.616 302 G HA2 0.922 4.882 3.960 -0.000 0.000 0.294 302 G HA3 0.922 4.882 3.960 -0.000 0.000 0.294 302 G C -1.262 173.647 174.900 0.015 0.000 1.489 302 G CA 0.315 45.405 45.100 -0.018 0.000 0.836 302 G HN 1.724 nan 8.290 nan 0.000 0.527 303 V N 0.625 120.553 119.914 0.022 0.000 3.147 303 V HA 0.811 4.931 4.120 -0.000 0.000 0.299 303 V C -1.135 175.033 176.094 0.124 0.000 1.302 303 V CA -0.940 61.395 62.300 0.060 0.000 1.015 303 V CB 1.696 33.501 31.823 -0.030 0.000 1.086 303 V HN 1.415 nan 8.190 nan 0.000 0.437 304 Y N 0.308 120.553 120.300 -0.092 0.000 2.655 304 Y HA 0.767 5.317 4.550 -0.000 0.000 0.336 304 Y C -0.423 175.463 175.900 -0.023 0.000 1.154 304 Y CA -1.574 56.486 58.100 -0.066 0.000 1.055 304 Y CB 0.894 39.406 38.460 0.086 0.000 1.295 304 Y HN 0.434 nan 8.280 nan 0.000 0.465 305 K N 0.485 120.953 120.400 0.112 0.000 2.143 305 K HA 0.541 4.861 4.320 -0.000 0.000 0.239 305 K C -1.069 175.477 176.600 -0.090 0.000 1.048 305 K CA -0.353 55.956 56.287 0.037 0.000 0.867 305 K CB 0.701 33.334 32.500 0.221 0.000 1.088 305 K HN 0.665 nan 8.250 nan 0.000 0.510 306 V N 2.419 122.309 119.914 -0.039 0.000 4.455 306 V HA -0.010 4.110 4.120 -0.000 0.000 0.244 306 V C -1.883 174.257 176.094 0.077 0.000 0.982 306 V CA -0.772 61.523 62.300 -0.009 0.000 1.275 306 V CB 1.496 33.229 31.823 -0.150 0.000 0.704 306 V HN 0.661 nan 8.190 nan 0.000 0.476 307 P HA 0.188 nan 4.420 nan 0.000 0.211 307 P C 1.020 178.411 177.300 0.153 0.000 1.183 307 P CA 1.899 65.061 63.100 0.104 0.000 0.901 307 P CB 0.588 32.342 31.700 0.090 0.000 0.762 308 G N 0.877 109.759 108.800 0.137 0.000 2.596 308 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.295 308 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.295 308 G C 0.394 175.440 174.900 0.244 0.000 1.240 308 G CA 0.679 45.877 45.100 0.162 0.000 0.985 308 G HN 0.460 nan 8.290 nan 0.000 0.555 309 R N -0.237 120.444 120.500 0.302 0.000 2.483 309 R HA 0.156 4.496 4.340 -0.000 0.000 0.170 309 R C -0.348 176.054 176.300 0.170 0.000 0.555 309 R CA 0.094 56.444 56.100 0.417 0.000 0.781 309 R CB 0.261 30.730 30.300 0.281 0.000 1.238 309 R HN 0.580 nan 8.270 nan 0.000 0.549 310 E N 0.868 121.064 120.200 -0.005 0.000 2.263 310 E HA 0.606 4.956 4.350 -0.000 0.000 0.264 310 E C -1.365 174.892 176.600 -0.572 0.000 0.923 310 E CA -0.850 55.377 56.400 -0.288 0.000 0.802 310 E CB 2.818 32.439 29.700 -0.131 0.000 1.228 310 E HN -0.073 nan 8.360 nan 0.000 0.417 311 L N 1.096 121.934 121.223 -0.642 0.000 2.549 311 L HA 0.423 4.763 4.340 -0.000 0.000 0.259 311 L C -1.328 175.303 176.870 -0.399 0.000 0.934 311 L CA -0.274 54.221 54.840 -0.575 0.000 0.865 311 L CB 2.449 43.906 42.059 -1.003 0.000 1.352 311 L HN 0.603 nan 8.230 nan 0.000 0.410 312 T N 4.226 118.635 114.554 -0.241 0.000 2.950 312 T HA 0.786 5.136 4.350 -0.000 0.000 0.288 312 T C -0.526 174.066 174.700 -0.180 0.000 1.035 312 T CA -0.441 61.542 62.100 -0.194 0.000 1.028 312 T CB 2.008 70.804 68.868 -0.120 0.000 1.109 312 T HN 0.420 nan 8.240 nan 0.000 0.514 313 I N 0.467 120.943 120.570 -0.156 0.000 3.093 313 I HA 0.379 4.549 4.170 -0.000 0.000 0.308 313 I C -1.048 175.021 176.117 -0.080 0.000 1.303 313 I CA -1.044 60.178 61.300 -0.129 0.000 0.975 313 I CB 2.456 40.348 38.000 -0.181 0.000 1.286 313 I HN 0.358 nan 8.210 nan 0.000 0.459 314 Q N 2.020 121.789 119.800 -0.053 0.000 2.318 314 Q HA 0.325 4.665 4.340 -0.000 0.000 0.371 314 Q C -1.221 174.772 176.000 -0.012 0.000 0.896 314 Q CA -0.189 55.597 55.803 -0.028 0.000 1.134 314 Q CB 1.050 29.775 28.738 -0.021 0.000 1.329 314 Q HN 0.448 nan 8.270 nan 0.000 0.413 315 V N 1.293 121.202 119.914 -0.009 0.000 2.458 315 V HA 0.053 4.173 4.120 -0.000 0.000 0.287 315 V C 0.390 176.505 176.094 0.034 0.000 1.009 315 V CA 0.211 62.524 62.300 0.021 0.000 1.091 315 V CB -0.065 31.782 31.823 0.040 0.000 0.960 315 V HN 0.243 nan 8.190 nan 0.000 0.476 316 K N 3.950 124.367 120.400 0.028 0.000 2.138 316 K HA 0.757 5.077 4.320 -0.000 0.000 0.263 316 K C -0.637 175.976 176.600 0.021 0.000 0.965 316 K CA -0.698 55.599 56.287 0.017 0.000 0.868 316 K CB 2.203 34.707 32.500 0.008 0.000 1.083 316 K HN 0.454 nan 8.250 nan 0.000 0.443 329 E N -2.057 118.191 120.200 0.079 0.000 2.310 329 E HA 0.426 4.776 4.350 -0.000 0.000 0.264 329 E C -2.346 174.283 176.600 0.049 0.000 1.309 329 E CA -0.726 55.730 56.400 0.092 0.000 0.900 329 E CB 1.191 30.974 29.700 0.139 0.000 1.496 329 E HN 0.527 nan 8.360 nan 0.000 0.433 330 Y N 1.093 121.392 120.300 -0.000 0.000 2.313 330 Y HA 0.392 4.942 4.550 -0.000 0.000 0.320 330 Y C -1.306 174.709 175.900 0.190 0.000 1.171 330 Y CA 0.098 58.220 58.100 0.037 0.000 1.093 330 Y CB 1.156 39.618 38.460 0.004 0.000 1.224 330 Y HN 0.583 nan 8.280 nan 0.000 0.421 331 T N 1.726 115.896 114.554 -0.638 0.000 2.940 331 T HA 0.980 5.330 4.350 -0.000 0.000 0.288 331 T C 0.159 174.438 174.700 -0.702 0.000 1.045 331 T CA -0.036 61.756 62.100 -0.514 0.000 1.018 331 T CB 2.116 70.914 68.868 -0.117 0.000 1.151 331 T HN 1.282 nan 8.240 nan 0.000 0.529 332 A N 0.166 122.807 122.820 -0.299 0.000 2.942 332 A HA 0.639 4.959 4.320 -0.000 0.000 0.188 332 A C 1.363 178.944 177.584 -0.005 0.000 1.448 332 A CA 0.305 52.264 52.037 -0.130 0.000 1.639 332 A CB -0.901 18.072 19.000 -0.044 0.000 1.513 332 A HN 1.506 nan 8.150 nan 0.000 0.640 333 A N 0.448 123.286 122.820 0.030 0.000 2.416 333 A HA 0.472 4.792 4.320 -0.000 0.000 0.252 333 A C 1.812 179.383 177.584 -0.022 0.000 1.353 333 A CA 1.046 53.090 52.037 0.011 0.000 0.996 333 A CB -1.663 17.361 19.000 0.041 0.000 0.961 333 A HN 2.464 nan 8.150 nan 0.000 0.523 334 G N -1.068 107.752 108.800 0.034 0.000 2.196 334 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.268 334 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.268 334 G C 0.242 175.153 174.900 0.019 0.000 0.975 334 G CA 0.654 45.795 45.100 0.069 0.000 0.648 334 G HN 0.518 nan 8.290 nan 0.000 0.538 335 L N 0.465 121.672 121.223 -0.027 0.000 2.395 335 L HA 0.487 4.827 4.340 -0.000 0.000 0.269 335 L C 0.948 177.701 176.870 -0.195 0.000 1.133 335 L CA -0.897 53.874 54.840 -0.116 0.000 0.812 335 L CB 0.678 42.705 42.059 -0.053 0.000 1.125 335 L HN 0.035 nan 8.230 nan 0.000 0.452 336 R N 2.458 122.757 120.500 -0.335 0.000 2.368 336 R HA 0.349 4.689 4.340 -0.000 0.000 0.302 336 R C -1.150 174.782 176.300 -0.613 0.000 1.002 336 R CA -0.290 55.618 56.100 -0.319 0.000 0.929 336 R CB 1.101 31.266 30.300 -0.225 0.000 1.073 336 R HN 0.375 nan 8.270 nan 0.000 0.464 337 F N 3.070 122.972 119.950 -0.080 0.000 2.566 337 F HA 0.276 4.803 4.527 -0.000 0.000 0.352 337 F C 0.263 176.022 175.800 -0.067 0.000 1.534 337 F CA -0.497 57.503 58.000 -0.001 0.000 1.097 337 F CB 0.283 39.410 39.000 0.211 0.000 1.488 337 F HN 0.192 nan 8.300 nan 0.000 0.562 338 L N 0.856 121.979 121.223 -0.167 0.000 2.517 338 L HA -0.069 4.271 4.340 -0.000 0.000 0.294 338 L C 0.976 177.784 176.870 -0.104 0.000 1.264 338 L CA 0.345 54.906 54.840 -0.466 0.000 0.839 338 L CB 0.214 41.722 42.059 -0.918 0.000 1.098 338 L HN 0.310 nan 8.230 nan 0.000 0.525 339 N N 2.281 121.034 118.700 0.088 0.000 2.767 339 N HA 0.191 4.931 4.740 -0.000 0.000 0.238 339 N C -1.859 173.877 175.510 0.377 0.000 1.083 339 N CA -1.691 51.530 53.050 0.284 0.000 0.964 339 N CB 1.067 39.793 38.487 0.398 0.000 1.252 339 N HN 0.309 nan 8.380 nan 0.000 0.512 340 P HA -0.094 nan 4.420 nan 0.000 0.224 340 P C 0.165 177.586 177.300 0.202 0.000 1.142 340 P CA 1.104 64.335 63.100 0.219 0.000 0.778 340 P CB 0.310 32.086 31.700 0.126 0.000 0.764 341 D N -1.552 118.965 120.400 0.195 0.000 2.403 341 D HA -0.070 4.570 4.640 -0.000 0.000 0.227 341 D C 1.116 177.496 176.300 0.133 0.000 0.995 341 D CA 0.859 54.946 54.000 0.145 0.000 0.928 341 D CB 0.030 40.916 40.800 0.143 0.000 0.887 341 D HN 0.178 nan 8.370 nan 0.000 0.529 342 V N -4.699 115.322 119.914 0.178 0.000 3.908 342 V HA 0.320 4.440 4.120 -0.000 0.000 0.348 342 V C -0.286 175.743 176.094 -0.109 0.000 1.625 342 V CA -0.688 61.629 62.300 0.029 0.000 1.399 342 V CB -0.850 30.957 31.823 -0.026 0.000 1.032 342 V HN -0.176 nan 8.190 nan 0.000 0.467 343 F N 1.010 120.969 119.950 0.014 0.000 2.541 343 F HA 0.855 5.382 4.527 -0.000 0.000 0.331 343 F C 0.597 176.397 175.800 -0.000 0.000 1.057 343 F CA -0.319 57.681 58.000 -0.001 0.000 0.975 343 F CB 2.469 41.481 39.000 0.020 0.000 1.246 343 F HN -0.090 nan 8.300 nan 0.000 0.484 344 T N 0.096 114.795 114.554 0.242 0.000 3.318 344 T HA 0.110 4.460 4.350 -0.000 0.000 0.304 344 T C -0.753 174.047 174.700 0.167 0.000 1.051 344 T CA -0.724 61.459 62.100 0.138 0.000 1.546 344 T CB 0.161 69.058 68.868 0.050 0.000 0.875 344 T HN 0.500 nan 8.240 nan 0.000 0.578 345 T N 4.531 119.193 114.554 0.179 0.000 2.658 345 T HA 0.019 4.369 4.350 -0.000 0.000 0.252 345 T C 0.312 175.071 174.700 0.099 0.000 1.021 345 T CA 0.916 63.095 62.100 0.132 0.000 1.169 345 T CB 0.161 69.067 68.868 0.062 0.000 1.015 345 T HN 0.464 nan 8.240 nan 0.000 0.489 352 Y N 1.698 122.006 120.300 0.013 0.000 2.446 352 Y HA 0.057 4.607 4.550 -0.000 0.000 0.287 352 Y C 1.297 177.198 175.900 0.001 0.000 1.159 352 Y CA 1.452 59.555 58.100 0.005 0.000 1.297 352 Y CB -0.268 38.201 38.460 0.016 0.000 0.974 352 Y HN 0.148 nan 8.280 nan 0.000 0.557 353 L N 0.567 121.730 121.223 -0.100 0.000 2.629 353 L HA 0.208 4.548 4.340 -0.000 0.000 0.230 353 L C -0.441 176.343 176.870 -0.143 0.000 1.151 353 L CA 0.161 54.883 54.840 -0.196 0.000 0.924 353 L CB -0.503 41.528 42.059 -0.048 0.000 1.137 353 L HN 0.268 nan 8.230 nan 0.000 0.457 354 L N -1.893 119.256 121.223 -0.124 0.000 2.431 354 L HA 0.942 5.282 4.340 -0.000 0.000 0.266 354 L C -0.581 176.161 176.870 -0.214 0.000 0.978 354 L CA -0.961 53.774 54.840 -0.176 0.000 0.822 354 L CB 1.787 43.796 42.059 -0.083 0.000 1.310 354 L HN -0.135 nan 8.230 nan 0.000 0.409 355 A N 2.768 125.357 122.820 -0.385 0.000 2.280 355 A HA 0.373 4.693 4.320 -0.000 0.000 0.320 355 A C 0.596 178.065 177.584 -0.192 0.000 1.366 355 A CA -0.382 51.462 52.037 -0.322 0.000 0.938 355 A CB -0.003 18.639 19.000 -0.597 0.000 1.157 355 A HN 0.948 nan 8.150 nan 0.000 0.536 356 D N 2.682 123.026 120.400 -0.093 0.000 2.127 356 D HA -0.162 4.478 4.640 -0.000 0.000 0.206 356 D C 0.843 177.127 176.300 -0.027 0.000 0.989 356 D CA 1.172 55.141 54.000 -0.053 0.000 0.877 356 D CB 0.092 40.888 40.800 -0.006 0.000 1.042 356 D HN 0.655 nan 8.370 nan 0.000 0.455 357 R N 0.992 121.503 120.500 0.017 0.000 4.806 357 R HA 0.222 4.562 4.340 -0.000 0.000 0.194 357 R C 1.292 177.635 176.300 0.072 0.000 2.211 357 R CA -0.102 56.028 56.100 0.048 0.000 1.801 357 R CB -0.663 29.669 30.300 0.053 0.000 1.251 357 R HN 0.142 nan 8.270 nan 0.000 0.747 358 G N 1.476 110.312 108.800 0.059 0.000 2.434 358 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.150 358 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.150 358 G C 0.320 175.346 174.900 0.211 0.000 1.744 358 G CA -0.526 44.676 45.100 0.169 0.000 0.973 358 G HN 0.381 nan 8.290 nan 0.000 0.397 359 L N 0.495 121.853 121.223 0.225 0.000 2.628 359 L HA 0.094 4.434 4.340 -0.000 0.000 0.292 359 L C -0.249 176.670 176.870 0.081 0.000 1.250 359 L CA 0.144 55.059 54.840 0.126 0.000 0.892 359 L CB 0.439 42.575 42.059 0.128 0.000 1.138 359 L HN 0.254 nan 8.230 nan 0.000 0.502 360 S N 2.835 118.550 115.700 0.026 0.000 2.566 360 S HA 0.478 4.948 4.470 -0.000 0.000 0.324 360 S C -0.253 174.356 174.600 0.015 0.000 1.081 360 S CA -0.808 57.406 58.200 0.023 0.000 1.105 360 S CB 1.625 64.823 63.200 -0.004 0.000 0.981 360 S HN 0.686 nan 8.310 nan 0.000 0.464 361 T N 0.805 115.387 114.554 0.046 0.000 2.870 361 T HA 0.430 4.780 4.350 -0.000 0.000 0.277 361 T C -0.870 173.852 174.700 0.036 0.000 1.000 361 T CA -0.807 61.324 62.100 0.051 0.000 0.982 361 T CB 0.788 69.716 68.868 0.100 0.000 1.249 361 T HN 0.450 nan 8.240 nan 0.000 0.589 362 D N 1.237 121.657 120.400 0.034 0.000 2.392 362 D HA 0.306 4.946 4.640 -0.000 0.000 0.228 362 D C -1.859 174.458 176.300 0.028 0.000 1.074 362 D CA -2.133 51.879 54.000 0.021 0.000 0.838 362 D CB 1.615 42.421 40.800 0.009 0.000 1.067 362 D HN 0.047 nan 8.370 nan 0.000 0.511 363 P HA -0.076 nan 4.420 nan 0.000 0.229 363 P C -0.052 177.258 177.300 0.016 0.000 1.147 363 P CA 0.807 63.926 63.100 0.033 0.000 0.766 363 P CB 0.060 31.778 31.700 0.029 0.000 0.775 364 T N 3.280 117.837 114.554 0.004 0.000 2.751 364 T HA 0.157 4.507 4.350 -0.000 0.000 0.290 364 T C -1.954 172.728 174.700 -0.030 0.000 0.919 364 T CA -0.966 61.127 62.100 -0.012 0.000 1.136 364 T CB -0.038 68.820 68.868 -0.017 0.000 0.875 364 T HN 0.120 nan 8.240 nan 0.000 0.532 365 P HA 0.230 nan 4.420 nan 0.000 0.271 365 P C -0.999 176.246 177.300 -0.092 0.000 1.216 365 P CA -0.657 62.408 63.100 -0.059 0.000 0.776 365 P CB 0.777 32.455 31.700 -0.037 0.000 0.881 366 L N 3.074 124.208 121.223 -0.149 0.000 2.316 366 L HA 0.607 4.947 4.340 -0.000 0.000 0.280 366 L C -0.050 176.722 176.870 -0.165 0.000 1.006 366 L CA -0.670 54.063 54.840 -0.178 0.000 0.836 366 L CB 0.663 42.557 42.059 -0.275 0.000 1.221 366 L HN 0.543 nan 8.230 nan 0.000 0.418 367 A N 5.672 128.423 122.820 -0.114 0.000 2.354 367 A HA 0.937 5.257 4.320 -0.000 0.000 0.321 367 A C -2.573 174.959 177.584 -0.086 0.000 1.125 367 A CA -1.786 50.198 52.037 -0.088 0.000 0.799 367 A CB 0.526 19.492 19.000 -0.057 0.000 1.293 367 A HN 0.572 nan 8.150 nan 0.000 0.452 368 P HA 0.016 nan 4.420 nan 0.000 0.270 368 P C 1.153 178.418 177.300 -0.060 0.000 1.167 368 P CA 2.534 65.595 63.100 -0.064 0.000 0.759 368 P CB 0.267 31.945 31.700 -0.038 0.000 0.777 369 G N 0.723 109.486 108.800 -0.060 0.000 2.228 369 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.270 369 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.270 369 G C 0.375 175.244 174.900 -0.053 0.000 0.976 369 G CA 0.926 45.996 45.100 -0.049 0.000 0.636 369 G HN 0.768 nan 8.290 nan 0.000 0.542 370 E N -0.945 119.215 120.200 -0.067 0.000 3.029 370 E HA 0.758 5.108 4.350 -0.000 0.000 0.249 370 E C 0.027 176.582 176.600 -0.074 0.000 1.089 370 E CA -0.074 56.287 56.400 -0.065 0.000 1.089 370 E CB 1.590 31.250 29.700 -0.066 0.000 1.428 370 E HN 0.515 nan 8.360 nan 0.000 0.555 371 T N -1.535 112.977 114.554 -0.069 0.000 2.775 371 T HA 0.459 4.809 4.350 -0.000 0.000 0.320 371 T C -1.946 172.719 174.700 -0.058 0.000 1.597 371 T CA -0.804 61.256 62.100 -0.066 0.000 1.022 371 T CB 1.496 70.335 68.868 -0.049 0.000 1.485 371 T HN 0.530 nan 8.240 nan 0.000 0.494 372 K N 0.617 120.985 120.400 -0.053 0.000 2.610 372 K HA 0.409 4.729 4.320 -0.000 0.000 0.278 372 K C -0.579 176.004 176.600 -0.028 0.000 0.964 372 K CA -0.751 55.511 56.287 -0.041 0.000 0.859 372 K CB 1.716 34.185 32.500 -0.051 0.000 1.434 372 K HN 0.523 nan 8.250 nan 0.000 0.410 373 T N 1.433 115.976 114.554 -0.019 0.000 3.312 373 T HA 0.088 4.438 4.350 -0.000 0.000 0.251 373 T C 0.623 175.318 174.700 -0.008 0.000 1.012 373 T CA -0.303 61.790 62.100 -0.011 0.000 0.925 373 T CB -0.844 68.018 68.868 -0.010 0.000 1.049 373 T HN 0.459 nan 8.240 nan 0.000 0.583 374 I N 3.398 123.963 120.570 -0.008 0.000 3.276 374 I HA -0.161 4.009 4.170 -0.000 0.000 0.341 374 I C 0.125 176.244 176.117 0.003 0.000 1.151 374 I CA 0.078 61.379 61.300 0.001 0.000 1.496 374 I CB 0.559 38.567 38.000 0.013 0.000 1.264 374 I HN 0.380 nan 8.210 nan 0.000 0.525 375 E N 6.074 126.274 120.200 -0.000 0.000 2.222 375 E HA 0.727 5.077 4.350 -0.000 0.000 0.267 375 E C -1.528 175.062 176.600 -0.017 0.000 0.884 375 E CA -0.907 55.483 56.400 -0.016 0.000 0.764 375 E CB 1.820 31.506 29.700 -0.023 0.000 1.169 375 E HN 0.401 nan 8.360 nan 0.000 0.413 376 V N 2.626 122.510 119.914 -0.050 0.000 2.680 376 V HA 0.493 4.613 4.120 -0.000 0.000 0.309 376 V C -0.656 175.357 176.094 -0.135 0.000 1.052 376 V CA -0.924 61.332 62.300 -0.074 0.000 0.908 376 V CB 1.975 33.740 31.823 -0.098 0.000 1.001 376 V HN 0.735 nan 8.190 nan 0.000 0.431 377 K N 3.304 123.624 120.400 -0.133 0.000 2.413 377 K HA 0.675 4.995 4.320 -0.000 0.000 0.257 377 K C -1.578 174.881 176.600 -0.235 0.000 0.946 377 K CA -0.449 55.733 56.287 -0.175 0.000 0.823 377 K CB 1.935 34.368 32.500 -0.112 0.000 1.109 377 K HN 0.486 nan 8.250 nan 0.000 0.427 378 V N 4.243 123.925 119.914 -0.388 0.000 2.370 378 V HA 0.290 4.410 4.120 -0.000 0.000 0.279 378 V C -0.474 175.351 176.094 -0.449 0.000 1.029 378 V CA -0.499 61.480 62.300 -0.536 0.000 0.870 378 V CB 1.042 32.303 31.823 -0.937 0.000 0.984 378 V HN 0.795 nan 8.190 nan 0.000 0.451 379 Q N 3.957 123.630 119.800 -0.211 0.000 2.309 379 Q HA 0.670 5.010 4.340 -0.000 0.000 0.273 379 Q C -1.346 174.741 176.000 0.145 0.000 1.040 379 Q CA -0.280 55.483 55.803 -0.067 0.000 0.834 379 Q CB 2.320 31.033 28.738 -0.041 0.000 1.345 379 Q HN 0.868 nan 8.270 nan 0.000 0.414 380 D N 1.178 121.697 120.400 0.198 0.000 3.105 380 D HA 0.196 4.836 4.640 -0.000 0.000 0.297 380 D C -0.743 175.719 176.300 0.269 0.000 1.148 380 D CA 0.304 54.454 54.000 0.250 0.000 0.721 380 D CB 0.416 41.418 40.800 0.336 0.000 1.295 380 D HN 0.590 nan 8.370 nan 0.000 0.457 381 A N 0.987 123.939 122.820 0.220 0.000 1.855 381 A HA 0.014 4.334 4.320 -0.000 0.000 0.213 381 A C 1.799 179.543 177.584 0.267 0.000 1.195 381 A CA 1.251 53.419 52.037 0.218 0.000 0.610 381 A CB -0.360 18.738 19.000 0.163 0.000 0.837 381 A HN 0.558 nan 8.150 nan 0.000 0.444 382 R N -1.972 118.671 120.500 0.239 0.000 2.438 382 R HA -0.209 4.131 4.340 -0.000 0.000 0.227 382 R C 1.375 177.827 176.300 0.253 0.000 1.153 382 R CA 1.133 57.344 56.100 0.186 0.000 1.059 382 R CB -0.333 29.976 30.300 0.015 0.000 0.831 382 R HN 0.782 nan 8.270 nan 0.000 0.487 383 W N -0.024 121.394 121.300 0.197 0.000 3.139 383 W HA 0.005 4.665 4.660 -0.000 0.000 0.260 383 W C 1.089 177.677 176.519 0.114 0.000 1.312 383 W CA 0.810 58.278 57.345 0.205 0.000 1.606 383 W CB 0.262 29.859 29.460 0.229 0.000 1.118 383 W HN 0.008 nan 8.180 nan 0.000 0.675 384 D N -1.174 119.326 120.400 0.166 0.000 2.929 384 D HA -0.038 4.602 4.640 -0.000 0.000 0.291 384 D C 2.205 178.526 176.300 0.035 0.000 1.086 384 D CA 1.235 55.257 54.000 0.037 0.000 0.971 384 D CB -0.230 40.649 40.800 0.133 0.000 1.275 384 D HN 0.004 nan 8.370 nan 0.000 0.469 385 I N 0.851 121.497 120.570 0.128 0.000 2.087 385 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 385 I C 1.466 177.677 176.117 0.156 0.000 1.054 385 I CA 1.171 62.585 61.300 0.190 0.000 1.311 385 I CB -0.450 37.778 38.000 0.380 0.000 1.024 385 I HN 0.036 nan 8.210 nan 0.000 0.402 386 E N 2.077 122.308 120.200 0.051 0.000 2.365 386 E HA 0.032 4.382 4.350 -0.000 0.000 0.188 386 E C -0.462 176.071 176.600 -0.112 0.000 1.102 386 E CA -0.081 56.270 56.400 -0.081 0.000 0.927 386 E CB -0.163 29.373 29.700 -0.274 0.000 1.073 386 E HN 0.335 nan 8.360 nan 0.000 0.467 387 R N -0.125 120.307 120.500 -0.114 0.000 2.532 387 R HA -0.185 4.155 4.340 -0.000 0.000 0.317 387 R C 0.476 176.595 176.300 -0.302 0.000 1.026 387 R CA 0.303 56.291 56.100 -0.187 0.000 0.846 387 R CB -1.657 28.558 30.300 -0.141 0.000 2.375 387 R HN 0.251 nan 8.270 nan 0.000 0.497 388 L N -0.367 120.556 121.223 -0.500 0.000 3.066 388 L HA 0.044 4.384 4.340 -0.000 0.000 0.272 388 L C 1.316 177.640 176.870 -0.910 0.000 1.101 388 L CA 0.189 54.574 54.840 -0.759 0.000 1.022 388 L CB 0.397 41.721 42.059 -1.225 0.000 1.600 388 L HN 0.328 nan 8.230 nan 0.000 0.559 389 S N 0.504 115.697 115.700 -0.846 0.000 2.653 389 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 389 S C 0.760 175.211 174.600 -0.248 0.000 0.970 389 S CA 0.660 58.564 58.200 -0.495 0.000 0.947 389 S CB -0.358 62.709 63.200 -0.221 0.000 0.771 389 S HN 0.349 nan 8.310 nan 0.000 0.538 390 D N 1.656 121.850 120.400 -0.343 0.000 2.378 390 D HA 0.022 4.662 4.640 -0.000 0.000 0.222 390 D C 1.254 177.417 176.300 -0.230 0.000 0.980 390 D CA 0.333 54.109 54.000 -0.372 0.000 0.907 390 D CB -0.284 40.303 40.800 -0.356 0.000 0.899 390 D HN 0.351 nan 8.370 nan 0.000 0.527 391 L N 0.311 121.475 121.223 -0.098 0.000 2.651 391 L HA -0.126 4.214 4.340 -0.000 0.000 0.236 391 L C 2.148 179.115 176.870 0.162 0.000 1.173 391 L CA 0.186 55.044 54.840 0.029 0.000 0.843 391 L CB -0.537 41.501 42.059 -0.035 0.000 0.964 391 L HN 0.106 nan 8.230 nan 0.000 0.454 392 A N -0.021 122.879 122.820 0.133 0.000 1.855 392 A HA -0.182 4.137 4.320 -0.000 0.000 0.215 392 A C 1.927 179.753 177.584 0.403 0.000 1.191 392 A CA 1.205 53.406 52.037 0.274 0.000 0.613 392 A CB -0.520 18.655 19.000 0.292 0.000 0.829 392 A HN 0.373 nan 8.150 nan 0.000 0.442 393 Y N 0.416 120.773 120.300 0.095 0.000 2.314 393 Y HA -0.053 4.497 4.550 0.000 0.000 0.259 393 Y C 0.202 176.164 175.900 0.102 0.000 1.052 393 Y CA -0.271 57.879 58.100 0.084 0.000 1.056 393 Y CB -0.974 37.526 38.460 0.067 0.000 1.023 393 Y HN 0.201 nan 8.280 nan 0.000 0.471 394 D N 1.560 122.158 120.400 0.330 0.000 6.321 394 D HA -0.156 4.484 4.640 -0.000 0.000 0.124 394 D C 0.781 177.234 176.300 0.256 0.000 1.040 394 D CA 0.973 55.182 54.000 0.347 0.000 0.707 394 D CB 0.094 41.115 40.800 0.368 0.000 1.390 394 D HN 0.365 nan 8.370 nan 0.000 0.789 395 T N 1.649 116.391 114.554 0.313 0.000 2.428 395 T HA -0.239 4.111 4.350 -0.000 0.000 0.248 395 T C 0.745 175.409 174.700 -0.059 0.000 1.284 395 T CA 1.110 63.313 62.100 0.172 0.000 1.217 395 T CB -0.151 68.873 68.868 0.259 0.000 0.864 395 T HN 0.507 nan 8.240 nan 0.000 0.402 396 D N 1.475 121.678 120.400 -0.327 0.000 2.349 396 D HA 0.081 4.721 4.640 -0.000 0.000 0.266 396 D C 0.989 176.776 176.300 -0.855 0.000 1.293 396 D CA 0.127 53.736 54.000 -0.653 0.000 0.926 396 D CB 0.712 41.092 40.800 -0.700 0.000 1.090 396 D HN 0.213 nan 8.370 nan 0.000 0.502 397 S N 3.184 118.670 115.700 -0.358 0.000 2.493 397 S HA -0.141 4.329 4.470 -0.000 0.000 0.243 397 S C 0.926 175.390 174.600 -0.226 0.000 0.991 397 S CA 0.617 58.691 58.200 -0.211 0.000 0.957 397 S CB 0.112 63.293 63.200 -0.032 0.000 0.756 397 S HN 0.548 nan 8.310 nan 0.000 0.521 398 Q N 0.369 120.005 119.800 -0.275 0.000 2.616 398 Q HA 0.188 4.528 4.340 -0.000 0.000 0.269 398 Q C 0.064 176.004 176.000 -0.101 0.000 1.148 398 Q CA 0.706 56.423 55.803 -0.143 0.000 1.003 398 Q CB 0.410 29.099 28.738 -0.082 0.000 1.322 398 Q HN 0.519 nan 8.270 nan 0.000 0.518 399 I N -1.794 118.770 120.570 -0.011 0.000 3.294 399 I HA 0.780 4.950 4.170 -0.000 0.000 0.311 399 I C -0.559 175.590 176.117 0.053 0.000 1.111 399 I CA -0.564 60.742 61.300 0.010 0.000 0.976 399 I CB 2.360 40.343 38.000 -0.029 0.000 1.260 399 I HN 0.687 nan 8.210 nan 0.000 0.474 400 G N 0.422 109.209 108.800 -0.021 0.000 2.559 400 G HA2 0.663 4.623 3.960 -0.000 0.000 0.291 400 G HA3 0.663 4.623 3.960 -0.000 0.000 0.291 400 G C -0.954 173.844 174.900 -0.169 0.000 1.424 400 G CA -0.123 44.824 45.100 -0.256 0.000 0.786 400 G HN 1.258 nan 8.290 nan 0.000 0.485 401 G N -1.642 106.978 108.800 -0.300 0.000 2.320 401 G HA2 0.441 4.401 3.960 -0.000 0.000 0.274 401 G HA3 0.441 4.401 3.960 -0.000 0.000 0.274 401 G C -1.241 173.679 174.900 0.034 0.000 1.324 401 G CA -0.348 44.704 45.100 -0.080 0.000 0.957 401 G HN 0.980 nan 8.290 nan 0.000 0.481 402 L N -0.702 120.551 121.223 0.050 0.000 2.260 402 L HA 0.841 5.181 4.340 -0.000 0.000 0.265 402 L C -0.374 176.557 176.870 0.102 0.000 1.015 402 L CA -1.116 53.767 54.840 0.072 0.000 0.826 402 L CB 1.924 44.000 42.059 0.028 0.000 1.373 402 L HN 0.450 nan 8.230 nan 0.000 0.450 403 L N 1.869 123.075 121.223 -0.030 0.000 2.563 403 L HA 0.300 4.640 4.340 -0.000 0.000 0.259 403 L C -0.571 176.094 176.870 -0.341 0.000 1.034 403 L CA -0.206 54.516 54.840 -0.198 0.000 0.899 403 L CB 1.676 43.614 42.059 -0.202 0.000 1.159 403 L HN 0.553 nan 8.230 nan 0.000 0.456 404 M N 2.968 122.358 119.600 -0.350 0.000 3.596 404 M HA 0.192 4.672 4.480 -0.000 0.000 0.212 404 M C -0.623 175.357 176.300 -0.534 0.000 1.519 404 M CA 0.252 55.307 55.300 -0.408 0.000 1.670 404 M CB -0.903 31.560 32.600 -0.228 0.000 1.113 404 M HN 0.177 nan 8.290 nan 0.000 0.565 405 F N 0.935 120.711 119.950 -0.288 0.000 2.412 405 F HA 0.398 4.925 4.527 -0.000 0.000 0.348 405 F C 0.152 175.712 175.800 -0.400 0.000 1.102 405 F CA -0.318 57.549 58.000 -0.222 0.000 1.196 405 F CB 0.416 39.376 39.000 -0.066 0.000 1.144 405 F HN 0.190 nan 8.300 nan 0.000 0.541 406 F N 0.450 120.591 119.950 0.319 0.000 2.497 406 F HA 0.426 4.953 4.527 -0.000 0.000 0.331 406 F C 0.567 176.421 175.800 0.089 0.000 1.060 406 F CA -0.910 57.183 58.000 0.155 0.000 0.989 406 F CB 1.245 40.301 39.000 0.095 0.000 1.245 406 F HN 0.285 nan 8.300 nan 0.000 0.486 407 S N 1.248 117.118 115.700 0.283 0.000 2.592 407 S HA 0.231 4.701 4.470 -0.000 0.000 0.271 407 S C -1.675 172.987 174.600 0.103 0.000 1.326 407 S CA -1.214 57.071 58.200 0.142 0.000 1.024 407 S CB 0.969 64.238 63.200 0.114 0.000 0.921 407 S HN 0.344 nan 8.310 nan 0.000 0.527 408 P HA -0.112 nan 4.420 nan 0.000 0.217 408 P C 1.425 178.732 177.300 0.012 0.000 1.148 408 P CA 1.095 64.209 63.100 0.023 0.000 0.834 408 P CB 0.087 31.791 31.700 0.007 0.000 0.783 409 S N -2.001 113.711 115.700 0.021 0.000 2.341 409 S HA 0.225 4.695 4.470 -0.000 0.000 0.216 409 S C 1.079 175.676 174.600 -0.006 0.000 1.034 409 S CA 1.134 59.337 58.200 0.004 0.000 0.964 409 S CB -0.583 62.627 63.200 0.015 0.000 0.882 409 S HN 0.238 nan 8.310 nan 0.000 0.469 410 G N 1.123 109.954 108.800 0.052 0.000 2.423 410 G HA2 0.114 4.074 3.960 -0.000 0.000 0.234 410 G HA3 0.114 4.074 3.960 -0.000 0.000 0.234 410 G C -0.992 174.026 174.900 0.196 0.000 2.480 410 G CA -0.748 44.392 45.100 0.068 0.000 0.953 410 G HN 0.360 nan 8.290 nan 0.000 0.575 411 K N 1.181 121.750 120.400 0.281 0.000 2.895 411 K HA 0.251 4.571 4.320 -0.000 0.000 0.191 411 K C 0.478 177.193 176.600 0.191 0.000 1.117 411 K CA -1.031 55.386 56.287 0.217 0.000 0.988 411 K CB 1.217 33.790 32.500 0.121 0.000 1.181 411 K HN 0.536 nan 8.250 nan 0.000 0.598 412 R N 1.225 121.826 120.500 0.169 0.000 2.633 412 R HA -0.055 4.285 4.340 -0.000 0.000 0.357 412 R C -0.768 175.486 176.300 -0.077 0.000 0.923 412 R CA 0.006 55.992 56.100 -0.191 0.000 1.046 412 R CB -0.416 29.389 30.300 -0.824 0.000 0.924 412 R HN 0.432 nan 8.270 nan 0.000 0.413 413 Y N 2.753 122.990 120.300 -0.105 0.000 2.359 413 Y HA 0.393 4.943 4.550 -0.000 0.000 0.334 413 Y C -0.393 175.448 175.900 -0.098 0.000 1.058 413 Y CA -0.612 57.445 58.100 -0.072 0.000 1.244 413 Y CB 0.800 39.249 38.460 -0.019 0.000 1.187 413 Y HN 0.823 nan 8.280 nan 0.000 0.510 414 A N 5.531 128.369 122.820 0.030 0.000 2.318 414 A HA 0.516 4.836 4.320 -0.000 0.000 0.317 414 A C -0.490 177.118 177.584 0.040 0.000 1.159 414 A CA -0.538 51.483 52.037 -0.026 0.000 0.799 414 A CB 1.359 20.212 19.000 -0.245 0.000 1.194 414 A HN 0.708 nan 8.150 nan 0.000 0.479 415 T N 0.917 115.538 114.554 0.111 0.000 2.950 415 T HA 0.593 4.943 4.350 -0.000 0.000 0.288 415 T C 0.188 174.938 174.700 0.084 0.000 1.035 415 T CA -0.282 61.895 62.100 0.127 0.000 1.028 415 T CB 0.849 69.830 68.868 0.189 0.000 1.109 415 T HN 0.835 nan 8.240 nan 0.000 0.514 416 E N 2.500 122.781 120.200 0.136 0.000 2.664 416 E HA 0.665 5.015 4.350 -0.000 0.000 0.245 416 E C 0.476 177.193 176.600 0.194 0.000 1.016 416 E CA -0.840 55.675 56.400 0.191 0.000 0.963 416 E CB 1.142 31.051 29.700 0.348 0.000 1.360 416 E HN 0.674 nan 8.360 nan 0.000 0.472 417 I N -4.224 116.481 120.570 0.225 0.000 3.092 417 I HA 0.617 4.787 4.170 -0.000 0.000 0.202 417 I C 0.168 176.475 176.117 0.317 0.000 0.453 417 I CA -0.607 60.809 61.300 0.195 0.000 3.162 417 I CB 0.232 38.300 38.000 0.113 0.000 1.497 417 I HN 0.723 nan 8.210 nan 0.000 0.536 418 G N 0.609 109.574 108.800 0.275 0.000 3.269 418 G HA2 0.416 4.376 3.960 -0.000 0.000 0.668 418 G HA3 0.416 4.376 3.960 -0.000 0.000 0.668 418 G C -0.434 174.604 174.900 0.230 0.000 1.100 418 G CA -0.341 45.032 45.100 0.456 0.000 0.940 418 G HN 1.473 nan 8.290 nan 0.000 0.438 419 G N 1.911 110.794 108.800 0.138 0.000 2.667 419 G HA2 0.765 4.725 3.960 -0.000 0.000 0.294 419 G HA3 0.765 4.725 3.960 -0.000 0.000 0.294 419 G C -3.335 171.582 174.900 0.028 0.000 1.467 419 G CA -0.902 44.241 45.100 0.071 0.000 0.852 419 G HN 0.369 nan 8.290 nan 0.000 0.521 420 P HA 0.266 nan 4.420 nan 0.000 0.263 420 P C 0.191 177.498 177.300 0.011 0.000 1.601 420 P CA -0.230 62.868 63.100 -0.004 0.000 1.161 420 P CB 0.644 32.344 31.700 0.000 0.000 1.730 421 V N 4.773 124.690 119.914 0.005 0.000 2.686 421 V HA 0.149 4.269 4.120 -0.000 0.000 0.295 421 V C 0.749 176.960 176.094 0.194 0.000 1.055 421 V CA -0.113 62.223 62.300 0.059 0.000 1.050 421 V CB 0.575 32.381 31.823 -0.029 0.000 0.984 421 V HN 0.243 nan 8.190 nan 0.000 0.482 422 I N 6.611 127.304 120.570 0.206 0.000 2.441 422 I HA 0.538 4.708 4.170 -0.000 0.000 0.295 422 I C -2.221 173.880 176.117 -0.026 0.000 0.994 422 I CA -2.110 59.269 61.300 0.130 0.000 1.144 422 I CB 1.972 39.986 38.000 0.025 0.000 1.314 422 I HN 0.496 nan 8.210 nan 0.000 0.445 423 P HA 0.482 nan 4.420 nan 0.000 0.285 423 P C -1.464 175.329 177.300 -0.844 0.000 1.280 423 P CA -0.947 61.552 63.100 -1.002 0.000 0.862 423 P CB 1.814 32.719 31.700 -1.324 0.000 1.153 424 K N 1.099 120.963 120.400 -0.894 0.000 2.565 424 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 424 K C -0.304 175.907 176.600 -0.648 0.000 0.958 424 K CA -0.428 55.430 56.287 -0.714 0.000 0.806 424 K CB 1.208 33.529 32.500 -0.298 0.000 1.194 424 K HN 0.309 nan 8.250 nan 0.000 0.434 425 F N 0.593 120.496 119.950 -0.078 0.000 2.173 425 F HA 0.257 4.784 4.527 0.000 0.000 0.280 425 F C 1.249 177.037 175.800 -0.020 0.000 1.175 425 F CA -1.071 56.903 58.000 -0.044 0.000 1.166 425 F CB -0.044 38.939 39.000 -0.028 0.000 1.589 425 F HN 0.039 nan 8.300 nan 0.000 0.513 426 V N 0.000 120.044 119.914 0.217 0.000 2.409 426 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 426 V CA 0.000 62.371 62.300 0.118 0.000 1.235 426 V CB 0.000 31.880 31.823 0.095 0.000 1.184 426 V HN 0.000 nan 8.190 nan 0.000 0.556