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 2c6s_1_J DATA FIRST_RESID 49 DATA SEQUENCE TGGRNSIRYS ELAPLFDTTR VYLVDNKSTD VASLNYQNDH SNFLTTVIQN DATA SEQUENCE NDYSPGEAST QTINLDDRSH WGGDLKTILH TNMPNVNEFM FTNKFKARVM DATA SEQUENCE VSRSLTKDKQ VELKYEWVEF TLPEGNYSET MTIDLMNNAI VEHYLKVGRQ DATA SEQUENCE NGVLESDIGV KFDTRNFRLG FDPVTGLVMP GVYTNEAFHP DIILLPGCGV DATA SEQUENCE DFTHSRLSNL LGIRKRQPFQ EGFRITYDDL EGGNIPALLD VDAYQASLXX DATA SEQUENCE XXXXXXXXXX XXXLKPVIKP LTEDSKKRSY NLISNDSTFT QYRSWYLAYN DATA SEQUENCE YGDPQTGIRS WTLLCTPDVT CGSEQVYWSL PDMMQDPVTF RSTSQISNFP DATA SEQUENCE VVGAELLPVH SKSFYNDQAV YSQLIRQFTS LTHVFNRFPE NQILARPPAP DATA SEQUENCE TITTVSENVP ALTDHGTLPL RNSIGGVQRV TITDARRRTC PYVYKALGIV DATA SEQUENCE SPRVLSSRT 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 49 T HA 0.000 nan 4.350 nan 0.000 0.228 49 T C 0.000 174.671 174.700 -0.048 0.000 1.109 49 T CA 0.000 62.056 62.100 -0.073 0.000 1.349 49 T CB 0.000 68.835 68.868 -0.055 0.000 0.612 50 G N 1.353 110.134 108.800 -0.032 0.000 2.559 50 G HA2 0.329 4.289 3.960 -0.001 0.000 0.216 50 G HA3 0.329 4.289 3.960 -0.001 0.000 0.216 50 G C 1.050 175.924 174.900 -0.042 0.000 1.126 50 G CA 1.085 46.171 45.100 -0.023 0.000 0.778 50 G HN 0.701 nan 8.290 nan 0.000 0.543 51 G N 0.267 109.039 108.800 -0.047 0.000 2.961 51 G HA2 0.203 4.162 3.960 -0.001 0.000 0.150 51 G HA3 0.203 4.162 3.960 -0.001 0.000 0.150 51 G C 0.222 175.081 174.900 -0.069 0.000 1.864 51 G CA -0.484 44.584 45.100 -0.053 0.000 0.992 51 G HN 0.174 nan 8.290 nan 0.000 0.458 52 R N 1.846 122.322 120.500 -0.041 0.000 2.215 52 R HA 0.220 4.560 4.340 -0.001 0.000 0.337 52 R C -0.473 175.869 176.300 0.070 0.000 1.010 52 R CA -0.389 55.697 56.100 -0.023 0.000 0.871 52 R CB 0.722 31.004 30.300 -0.029 0.000 1.134 52 R HN 0.664 nan 8.270 nan 0.000 0.477 53 N N -0.638 118.116 118.700 0.091 0.000 2.351 53 N HA 0.006 4.745 4.740 -0.001 0.000 0.254 53 N C -0.807 174.924 175.510 0.367 0.000 1.241 53 N CA -0.474 52.767 53.050 0.318 0.000 0.883 53 N CB 0.536 39.129 38.487 0.175 0.000 1.202 53 N HN 0.044 nan 8.380 nan 0.000 0.512 54 S N 0.889 116.691 115.700 0.171 0.000 2.548 54 S HA 0.407 4.877 4.470 -0.001 0.000 0.277 54 S C 0.298 174.887 174.600 -0.017 0.000 1.315 54 S CA -0.409 57.836 58.200 0.075 0.000 1.050 54 S CB 0.755 63.956 63.200 0.001 0.000 0.918 54 S HN 0.276 nan 8.310 nan 0.000 0.497 55 I N 2.833 123.389 120.570 -0.024 0.000 2.464 55 I HA 0.360 4.529 4.170 -0.001 0.000 0.277 55 I C 0.154 176.240 176.117 -0.052 0.000 1.040 55 I CA -0.256 60.944 61.300 -0.167 0.000 1.153 55 I CB 0.825 38.677 38.000 -0.248 0.000 1.274 55 I HN 0.359 nan 8.210 nan 0.000 0.469 56 R N 3.445 123.914 120.500 -0.050 0.000 2.346 56 R HA 0.412 4.751 4.340 -0.001 0.000 0.311 56 R C -0.501 175.821 176.300 0.036 0.000 0.983 56 R CA -0.506 55.597 56.100 0.004 0.000 0.880 56 R CB 1.845 32.135 30.300 -0.017 0.000 1.100 56 R HN 0.428 nan 8.270 nan 0.000 0.453 57 Y N 1.288 121.551 120.300 -0.062 0.000 3.033 57 Y HA 0.217 4.766 4.550 -0.001 0.000 0.491 57 Y C 1.238 177.096 175.900 -0.070 0.000 1.358 57 Y CA 0.044 58.102 58.100 -0.072 0.000 1.979 57 Y CB -0.337 38.089 38.460 -0.057 0.000 1.668 57 Y HN 0.558 nan 8.280 nan 0.000 0.729 58 S N -0.314 114.674 115.700 -1.187 0.000 2.646 58 S HA 0.075 4.545 4.470 -0.001 0.000 0.192 58 S C 0.628 174.980 174.600 -0.412 0.000 1.218 58 S CA 0.316 58.004 58.200 -0.852 0.000 1.545 58 S CB -0.487 62.037 63.200 -1.126 0.000 0.737 58 S HN 0.534 nan 8.310 nan 0.000 0.467 59 E N 0.450 120.461 120.200 -0.314 0.000 2.301 59 E HA 0.191 4.540 4.350 -0.001 0.000 0.195 59 E C 0.198 176.754 176.600 -0.073 0.000 1.171 59 E CA -0.273 56.045 56.400 -0.138 0.000 1.142 59 E CB 0.033 29.686 29.700 -0.078 0.000 1.218 59 E HN 0.299 nan 8.360 nan 0.000 0.448 60 L N -0.010 121.169 121.223 -0.074 0.000 2.543 60 L HA 0.456 4.795 4.340 -0.001 0.000 0.181 60 L C -0.155 176.749 176.870 0.057 0.000 1.437 60 L CA 0.127 55.006 54.840 0.066 0.000 3.059 60 L CB 0.216 42.429 42.059 0.258 0.000 2.916 60 L HN -0.016 nan 8.230 nan 0.000 1.037 61 A N -0.922 121.950 122.820 0.087 0.000 2.422 61 A HA 0.722 5.042 4.320 -0.001 0.000 0.302 61 A C -2.605 175.023 177.584 0.073 0.000 1.041 61 A CA -1.183 50.892 52.037 0.063 0.000 0.708 61 A CB 0.731 19.760 19.000 0.048 0.000 1.257 61 A HN 0.282 nan 8.150 nan 0.000 0.414 62 P HA 0.363 nan 4.420 nan 0.000 0.276 62 P C -1.005 176.369 177.300 0.123 0.000 1.264 62 P CA 0.271 63.456 63.100 0.141 0.000 0.769 62 P CB 0.475 32.305 31.700 0.216 0.000 0.840 63 L N 5.980 127.263 121.223 0.101 0.000 2.335 63 L HA 0.374 4.714 4.340 -0.001 0.000 0.268 63 L C -0.385 176.583 176.870 0.164 0.000 1.037 63 L CA -0.571 54.289 54.840 0.033 0.000 0.895 63 L CB -0.351 41.711 42.059 0.005 0.000 1.266 63 L HN 0.237 nan 8.230 nan 0.000 0.439 64 F N 0.910 120.877 119.950 0.029 0.000 2.410 64 F HA 0.665 5.191 4.527 -0.001 0.000 0.348 64 F C 0.084 175.934 175.800 0.084 0.000 1.106 64 F CA -1.011 57.026 58.000 0.062 0.000 1.163 64 F CB 0.500 39.539 39.000 0.065 0.000 1.129 64 F HN 0.319 nan 8.300 nan 0.000 0.516 65 D N 1.397 122.029 120.400 0.386 0.000 9.781 65 D HA -0.168 4.471 4.640 -0.001 0.000 0.283 65 D C -0.117 176.322 176.300 0.231 0.000 2.757 65 D CA 0.847 55.034 54.000 0.311 0.000 2.589 65 D CB -0.366 40.568 40.800 0.222 0.000 1.049 65 D HN 1.175 nan 8.370 nan 0.000 0.767 66 T N 0.968 115.700 114.554 0.297 0.000 0.551 66 T HA -0.126 4.224 4.350 -0.001 0.000 0.773 66 T C -0.126 174.613 174.700 0.066 0.000 0.992 66 T CA 1.994 64.208 62.100 0.191 0.000 4.071 66 T CB -0.096 68.851 68.868 0.131 0.000 2.300 66 T HN 0.629 nan 8.240 nan 0.000 0.398 67 T N 4.473 119.030 114.554 0.005 0.000 2.647 67 T HA 0.673 5.023 4.350 -0.001 0.000 0.295 67 T C -1.436 173.184 174.700 -0.133 0.000 1.126 67 T CA -0.947 61.115 62.100 -0.063 0.000 1.040 67 T CB 0.950 69.776 68.868 -0.070 0.000 1.472 67 T HN 0.579 nan 8.240 nan 0.000 0.500 68 R N 1.420 121.787 120.500 -0.222 0.000 2.445 68 R HA 0.654 4.993 4.340 -0.001 0.000 0.308 68 R C -0.912 175.086 176.300 -0.503 0.000 0.961 68 R CA -0.492 55.355 56.100 -0.423 0.000 0.862 68 R CB 1.176 31.073 30.300 -0.672 0.000 1.144 68 R HN 0.513 nan 8.270 nan 0.000 0.447 69 V N 1.742 121.386 119.914 -0.450 0.000 2.581 69 V HA 0.583 4.703 4.120 -0.001 0.000 0.303 69 V C -0.788 175.138 176.094 -0.280 0.000 1.041 69 V CA -1.082 61.032 62.300 -0.310 0.000 0.907 69 V CB 1.515 33.240 31.823 -0.164 0.000 0.994 69 V HN 0.560 nan 8.190 nan 0.000 0.442 70 Y N 3.135 123.409 120.300 -0.043 0.000 2.331 70 Y HA 0.676 5.226 4.550 -0.001 0.000 0.334 70 Y C -0.232 175.672 175.900 0.006 0.000 0.960 70 Y CA -0.892 57.195 58.100 -0.022 0.000 1.130 70 Y CB 1.816 40.266 38.460 -0.017 0.000 1.164 70 Y HN 0.490 nan 8.280 nan 0.000 0.458 71 L N 5.676 127.008 121.223 0.182 0.000 2.288 71 L HA 0.552 4.891 4.340 -0.001 0.000 0.283 71 L C -0.644 176.375 176.870 0.248 0.000 1.072 71 L CA -0.839 54.108 54.840 0.180 0.000 0.862 71 L CB 0.052 42.177 42.059 0.110 0.000 1.245 71 L HN 0.401 nan 8.230 nan 0.000 0.432 72 V N -1.522 118.530 119.914 0.230 0.000 2.604 72 V HA 0.429 4.549 4.120 -0.001 0.000 0.305 72 V C 0.253 176.406 176.094 0.098 0.000 1.043 72 V CA -0.751 61.644 62.300 0.157 0.000 0.888 72 V CB 1.745 33.597 31.823 0.048 0.000 0.995 72 V HN 0.618 nan 8.190 nan 0.000 0.429 73 D N 2.195 122.553 120.400 -0.069 0.000 2.213 73 D HA -0.116 4.523 4.640 -0.001 0.000 0.205 73 D C 1.268 177.433 176.300 -0.225 0.000 0.961 73 D CA 1.161 54.886 54.000 -0.459 0.000 0.853 73 D CB -0.347 40.122 40.800 -0.552 0.000 0.967 73 D HN 0.679 nan 8.370 nan 0.000 0.496 74 N N 0.096 118.746 118.700 -0.083 0.000 2.571 74 N HA -0.041 4.698 4.740 -0.001 0.000 0.189 74 N C 0.095 175.578 175.510 -0.045 0.000 1.154 74 N CA 0.016 53.040 53.050 -0.043 0.000 0.907 74 N CB 0.139 38.617 38.487 -0.015 0.000 0.977 74 N HN 0.059 nan 8.380 nan 0.000 0.449 75 K N 1.322 121.694 120.400 -0.047 0.000 2.402 75 K HA 0.011 4.331 4.320 -0.001 0.000 0.279 75 K C 0.659 177.240 176.600 -0.032 0.000 1.082 75 K CA -0.038 56.230 56.287 -0.032 0.000 1.080 75 K CB 0.614 33.106 32.500 -0.014 0.000 0.899 75 K HN 0.128 nan 8.250 nan 0.000 0.469 76 S N 1.849 117.532 115.700 -0.028 0.000 2.387 76 S HA -0.180 4.289 4.470 -0.001 0.000 0.230 76 S C 1.884 176.467 174.600 -0.028 0.000 1.035 76 S CA 2.130 60.314 58.200 -0.027 0.000 1.014 76 S CB -0.178 63.008 63.200 -0.024 0.000 0.836 76 S HN 0.777 nan 8.310 nan 0.000 0.466 77 T N 2.003 116.544 114.554 -0.022 0.000 2.737 77 T HA -0.140 4.209 4.350 -0.001 0.000 0.265 77 T C 1.532 176.219 174.700 -0.023 0.000 1.038 77 T CA 1.471 63.560 62.100 -0.019 0.000 1.144 77 T CB -0.733 68.133 68.868 -0.004 0.000 0.866 77 T HN 0.636 nan 8.240 nan 0.000 0.434 78 D N 1.389 121.780 120.400 -0.016 0.000 2.234 78 D HA 0.004 4.644 4.640 -0.001 0.000 0.205 78 D C 1.988 178.271 176.300 -0.028 0.000 0.962 78 D CA 0.141 54.134 54.000 -0.011 0.000 0.855 78 D CB -0.948 39.859 40.800 0.012 0.000 0.951 78 D HN 0.314 nan 8.370 nan 0.000 0.500 79 V N 0.671 120.558 119.914 -0.045 0.000 2.380 79 V HA -0.278 3.842 4.120 -0.001 0.000 0.251 79 V C 2.555 178.616 176.094 -0.056 0.000 1.063 79 V CA 2.026 64.292 62.300 -0.057 0.000 1.055 79 V CB -0.770 31.018 31.823 -0.057 0.000 0.657 79 V HN 0.464 nan 8.190 nan 0.000 0.455 80 A N -1.466 121.301 122.820 -0.088 0.000 1.843 80 A HA -0.147 4.173 4.320 -0.001 0.000 0.213 80 A C 2.525 179.999 177.584 -0.183 0.000 1.202 80 A CA 1.783 53.715 52.037 -0.174 0.000 0.607 80 A CB -0.823 18.085 19.000 -0.153 0.000 0.847 80 A HN 0.458 nan 8.150 nan 0.000 0.445 81 S N -0.959 114.683 115.700 -0.097 0.000 2.368 81 S HA 0.053 4.522 4.470 -0.001 0.000 0.224 81 S C 0.664 175.253 174.600 -0.018 0.000 1.029 81 S CA 1.319 59.482 58.200 -0.061 0.000 0.988 81 S CB -0.620 62.563 63.200 -0.028 0.000 0.838 81 S HN 0.591 nan 8.310 nan 0.000 0.462 82 L N -2.256 118.970 121.223 0.006 0.000 2.359 82 L HA 0.672 5.011 4.340 -0.001 0.000 0.256 82 L C 0.075 176.976 176.870 0.053 0.000 1.026 82 L CA -0.982 53.885 54.840 0.045 0.000 0.828 82 L CB 1.159 43.249 42.059 0.051 0.000 1.406 82 L HN -0.004 nan 8.230 nan 0.000 0.413 83 N N -1.042 117.704 118.700 0.076 0.000 2.965 83 N HA -0.311 4.429 4.740 -0.001 0.000 0.232 83 N C 0.764 176.326 175.510 0.087 0.000 0.913 83 N CA 1.634 54.719 53.050 0.057 0.000 0.981 83 N CB -1.388 37.093 38.487 -0.011 0.000 1.077 83 N HN 0.959 nan 8.380 nan 0.000 0.589 84 Y N 1.975 122.253 120.300 -0.037 0.000 2.069 84 Y HA -0.233 4.316 4.550 -0.001 0.000 0.278 84 Y C 1.924 177.798 175.900 -0.044 0.000 1.175 84 Y CA 2.732 60.808 58.100 -0.040 0.000 1.134 84 Y CB -0.208 38.237 38.460 -0.025 0.000 0.965 84 Y HN 0.406 nan 8.280 nan 0.000 0.498 85 Q N 0.630 120.434 119.800 0.006 0.000 2.341 85 Q HA 0.288 4.628 4.340 -0.001 0.000 0.325 85 Q C -0.888 175.081 176.000 -0.052 0.000 0.920 85 Q CA -0.258 55.478 55.803 -0.112 0.000 1.065 85 Q CB 0.010 28.656 28.738 -0.154 0.000 1.218 85 Q HN 0.317 nan 8.270 nan 0.000 0.434 86 N N 1.491 120.173 118.700 -0.029 0.000 2.405 86 N HA 0.227 4.967 4.740 -0.001 0.000 0.285 86 N C -0.964 174.513 175.510 -0.055 0.000 1.262 86 N CA -0.346 52.695 53.050 -0.015 0.000 0.773 86 N CB 1.884 40.396 38.487 0.042 0.000 1.490 86 N HN 0.208 nan 8.380 nan 0.000 0.486 87 D N -1.153 119.228 120.400 -0.031 0.000 2.509 87 D HA 0.240 4.880 4.640 -0.001 0.000 0.275 87 D C 0.316 176.595 176.300 -0.036 0.000 1.189 87 D CA 0.204 54.174 54.000 -0.051 0.000 1.098 87 D CB 0.304 41.092 40.800 -0.019 0.000 1.177 87 D HN 0.502 nan 8.370 nan 0.000 0.599 88 H N -2.356 116.743 119.070 0.048 0.000 2.648 88 H HA 0.247 4.803 4.556 -0.001 0.000 0.265 88 H C 0.904 176.421 175.328 0.314 0.000 0.961 88 H CA 0.685 56.827 56.048 0.157 0.000 1.185 88 H CB 0.449 30.266 29.762 0.091 0.000 1.449 88 H HN 0.295 nan 8.280 nan 0.000 0.523 89 S N -0.055 115.799 115.700 0.257 0.000 2.614 89 S HA 0.080 4.549 4.470 -0.001 0.000 0.230 89 S C 0.250 174.888 174.600 0.064 0.000 0.952 89 S CA -0.377 57.888 58.200 0.109 0.000 0.949 89 S CB -0.303 62.904 63.200 0.013 0.000 0.786 89 S HN 0.394 nan 8.310 nan 0.000 0.478 90 N N 0.378 119.178 118.700 0.167 0.000 2.905 90 N HA 0.418 5.158 4.740 -0.001 0.000 0.255 90 N C -1.042 174.617 175.510 0.249 0.000 1.199 90 N CA -0.719 52.394 53.050 0.105 0.000 0.911 90 N CB 0.295 38.822 38.487 0.066 0.000 1.550 90 N HN 0.314 nan 8.380 nan 0.000 0.599 91 F N 0.567 120.535 119.950 0.030 0.000 2.779 91 F HA 0.733 5.260 4.527 -0.001 0.000 0.316 91 F C -1.896 173.924 175.800 0.032 0.000 1.164 91 F CA -1.311 56.698 58.000 0.016 0.000 0.924 91 F CB 1.193 40.187 39.000 -0.009 0.000 1.348 91 F HN 0.128 nan 8.300 nan 0.000 0.467 92 L N 1.163 122.612 121.223 0.377 0.000 2.346 92 L HA 0.842 5.181 4.340 -0.001 0.000 0.276 92 L C -0.796 176.254 176.870 0.300 0.000 1.006 92 L CA -0.795 54.186 54.840 0.234 0.000 0.817 92 L CB 1.874 44.013 42.059 0.132 0.000 1.272 92 L HN 0.731 nan 8.230 nan 0.000 0.421 93 T N -0.130 114.564 114.554 0.234 0.000 2.863 93 T HA 0.417 4.767 4.350 -0.001 0.000 0.285 93 T C 0.056 174.819 174.700 0.106 0.000 1.009 93 T CA -0.568 61.650 62.100 0.197 0.000 0.989 93 T CB 1.821 70.828 68.868 0.231 0.000 1.004 93 T HN 0.743 nan 8.240 nan 0.000 0.455 94 T N 0.242 114.842 114.554 0.077 0.000 2.723 94 T HA 0.299 4.649 4.350 -0.001 0.000 0.297 94 T C 1.130 175.854 174.700 0.040 0.000 0.925 94 T CA -0.759 61.371 62.100 0.050 0.000 1.030 94 T CB -0.040 68.854 68.868 0.043 0.000 0.905 94 T HN 0.349 nan 8.240 nan 0.000 0.502 95 V N 2.910 122.837 119.914 0.023 0.000 3.623 95 V HA 0.278 4.397 4.120 -0.001 0.000 0.271 95 V C 1.040 177.105 176.094 -0.049 0.000 1.248 95 V CA 0.009 62.313 62.300 0.006 0.000 1.156 95 V CB -1.024 30.794 31.823 -0.009 0.000 0.870 95 V HN 0.863 nan 8.190 nan 0.000 0.453 96 I N 1.559 122.093 120.570 -0.060 0.000 2.260 96 I HA 0.188 4.357 4.170 -0.001 0.000 0.297 96 I C 0.551 176.626 176.117 -0.070 0.000 1.143 96 I CA -0.020 61.197 61.300 -0.138 0.000 1.271 96 I CB 0.728 38.667 38.000 -0.103 0.000 1.461 96 I HN 0.148 nan 8.210 nan 0.000 0.530 97 Q N 3.468 123.223 119.800 -0.075 0.000 2.404 97 Q HA 0.087 4.426 4.340 -0.001 0.000 0.272 97 Q C -0.061 175.927 176.000 -0.020 0.000 0.939 97 Q CA 0.052 55.841 55.803 -0.024 0.000 0.945 97 Q CB -0.546 28.195 28.738 0.006 0.000 1.195 97 Q HN 0.402 nan 8.270 nan 0.000 0.415 98 N N 0.265 118.970 118.700 0.008 0.000 2.425 98 N HA 0.033 4.773 4.740 -0.001 0.000 0.268 98 N C 0.493 176.081 175.510 0.130 0.000 0.991 98 N CA -0.131 52.978 53.050 0.099 0.000 0.931 98 N CB 1.030 39.661 38.487 0.241 0.000 1.130 98 N HN 0.120 nan 8.380 nan 0.000 0.493 99 N N 3.172 121.916 118.700 0.074 0.000 2.104 99 N HA -0.174 4.566 4.740 -0.001 0.000 0.190 99 N C -0.046 175.467 175.510 0.005 0.000 1.024 99 N CA 1.705 54.775 53.050 0.033 0.000 0.853 99 N CB 0.037 38.530 38.487 0.010 0.000 1.008 99 N HN 0.547 nan 8.380 nan 0.000 0.424 100 D N -1.399 118.987 120.400 -0.024 0.000 2.338 100 D HA 0.049 4.689 4.640 -0.001 0.000 0.239 100 D C -0.751 175.276 176.300 -0.456 0.000 1.095 100 D CA 0.508 54.395 54.000 -0.189 0.000 0.888 100 D CB -0.068 40.609 40.800 -0.205 0.000 0.899 100 D HN 0.399 nan 8.370 nan 0.000 0.525 101 Y N -0.326 119.995 120.300 0.035 0.000 2.485 101 Y HA 0.292 4.841 4.550 -0.001 0.000 0.345 101 Y C 0.386 176.300 175.900 0.024 0.000 0.998 101 Y CA -1.338 56.785 58.100 0.038 0.000 1.059 101 Y CB 1.776 40.276 38.460 0.067 0.000 1.234 101 Y HN -0.319 nan 8.280 nan 0.000 0.461 102 S N 4.927 120.729 115.700 0.171 0.000 2.498 102 S HA 0.077 4.546 4.470 -0.001 0.000 0.281 102 S C -1.556 173.118 174.600 0.123 0.000 1.265 102 S CA -1.196 57.069 58.200 0.109 0.000 1.071 102 S CB 0.474 63.728 63.200 0.090 0.000 0.894 102 S HN 0.483 nan 8.310 nan 0.000 0.491 103 P HA 0.024 nan 4.420 nan 0.000 0.228 103 P C 1.376 178.710 177.300 0.056 0.000 1.151 103 P CA 0.926 64.066 63.100 0.067 0.000 0.770 103 P CB -0.255 31.469 31.700 0.039 0.000 0.786 104 G N 0.989 109.820 108.800 0.052 0.000 2.425 104 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.213 104 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.213 104 G C 1.449 176.380 174.900 0.051 0.000 1.201 104 G CA 0.220 45.347 45.100 0.044 0.000 0.799 104 G HN 0.322 nan 8.290 nan 0.000 0.534 105 E N 1.214 121.457 120.200 0.072 0.000 2.516 105 E HA 0.130 4.479 4.350 -0.001 0.000 0.199 105 E C 2.294 178.936 176.600 0.069 0.000 1.069 105 E CA 0.618 57.065 56.400 0.080 0.000 0.876 105 E CB -0.091 29.676 29.700 0.111 0.000 0.843 105 E HN 0.325 nan 8.360 nan 0.000 0.530 106 A N 0.925 123.788 122.820 0.072 0.000 1.930 106 A HA -0.137 4.182 4.320 -0.001 0.000 0.215 106 A C 2.326 179.914 177.584 0.007 0.000 1.176 106 A CA 1.333 53.390 52.037 0.034 0.000 0.632 106 A CB -0.605 18.437 19.000 0.070 0.000 0.819 106 A HN 0.454 nan 8.150 nan 0.000 0.445 107 S N 0.003 115.715 115.700 0.020 0.000 2.387 107 S HA -0.225 4.245 4.470 -0.001 0.000 0.230 107 S C 1.855 176.455 174.600 0.000 0.000 1.035 107 S CA 2.268 60.476 58.200 0.014 0.000 1.014 107 S CB -1.416 61.797 63.200 0.021 0.000 0.836 107 S HN 0.507 nan 8.310 nan 0.000 0.466 108 T N 1.999 116.549 114.554 -0.007 0.000 2.653 108 T HA -0.150 4.199 4.350 -0.001 0.000 0.268 108 T C 0.916 175.590 174.700 -0.043 0.000 1.035 108 T CA 1.597 63.683 62.100 -0.022 0.000 1.154 108 T CB -0.495 68.360 68.868 -0.022 0.000 0.862 108 T HN 0.645 nan 8.240 nan 0.000 0.441 109 Q N 1.447 121.211 119.800 -0.060 0.000 2.354 109 Q HA 0.367 4.707 4.340 -0.001 0.000 0.244 109 Q C 0.123 176.121 176.000 -0.004 0.000 0.969 109 Q CA -0.115 55.649 55.803 -0.064 0.000 0.885 109 Q CB 0.740 29.430 28.738 -0.079 0.000 1.241 109 Q HN 0.440 nan 8.270 nan 0.000 0.461 110 T N -1.575 112.976 114.554 -0.004 0.000 2.856 110 T HA 0.387 4.737 4.350 -0.001 0.000 0.283 110 T C 0.715 175.446 174.700 0.050 0.000 1.008 110 T CA -0.842 61.258 62.100 0.000 0.000 0.997 110 T CB 0.901 69.749 68.868 -0.033 0.000 0.992 110 T HN 0.360 nan 8.240 nan 0.000 0.454 111 I N 0.974 121.551 120.570 0.012 0.000 2.286 111 I HA -0.025 4.145 4.170 -0.001 0.000 0.245 111 I C 0.372 176.458 176.117 -0.051 0.000 1.104 111 I CA 0.831 62.129 61.300 -0.004 0.000 1.397 111 I CB -1.268 36.689 38.000 -0.071 0.000 1.072 111 I HN 0.802 nan 8.210 nan 0.000 0.417 112 N N 1.646 120.291 118.700 -0.092 0.000 2.537 112 N HA -0.188 4.552 4.740 -0.001 0.000 0.286 112 N C -0.570 174.796 175.510 -0.240 0.000 1.245 112 N CA 0.437 53.408 53.050 -0.132 0.000 0.704 112 N CB -1.497 36.935 38.487 -0.091 0.000 0.910 112 N HN 0.204 nan 8.380 nan 0.000 0.542 113 L N 0.521 121.524 121.223 -0.368 0.000 2.417 113 L HA 0.196 4.536 4.340 -0.001 0.000 0.268 113 L C 1.219 177.808 176.870 -0.467 0.000 1.158 113 L CA -0.392 54.007 54.840 -0.735 0.000 0.819 113 L CB 0.375 41.775 42.059 -1.099 0.000 1.112 113 L HN 0.264 nan 8.230 nan 0.000 0.458 114 D N 1.320 121.496 120.400 -0.372 0.000 2.458 114 D HA -0.035 4.604 4.640 -0.001 0.000 0.243 114 D C -0.233 176.168 176.300 0.168 0.000 1.146 114 D CA -0.035 53.992 54.000 0.045 0.000 0.877 114 D CB 0.832 41.761 40.800 0.215 0.000 1.176 114 D HN 0.437 nan 8.370 nan 0.000 0.461 115 D N 2.376 122.814 120.400 0.063 0.000 2.690 115 D HA 0.135 4.775 4.640 -0.001 0.000 0.236 115 D C 1.057 177.385 176.300 0.048 0.000 1.218 115 D CA -0.168 53.856 54.000 0.040 0.000 0.829 115 D CB 0.385 41.188 40.800 0.005 0.000 1.009 115 D HN 0.207 nan 8.370 nan 0.000 0.482 116 R N -0.293 120.256 120.500 0.082 0.000 2.412 116 R HA 0.247 4.586 4.340 -0.001 0.000 0.212 116 R C -0.326 175.999 176.300 0.042 0.000 0.878 116 R CA 0.225 56.358 56.100 0.054 0.000 1.022 116 R CB 0.779 31.108 30.300 0.048 0.000 1.265 116 R HN 0.057 nan 8.270 nan 0.000 0.620 117 S N -0.267 115.456 115.700 0.038 0.000 2.542 117 S HA 0.399 4.869 4.470 -0.001 0.000 0.293 117 S C -1.218 173.272 174.600 -0.183 0.000 1.089 117 S CA -0.822 57.338 58.200 -0.066 0.000 0.961 117 S CB 1.700 64.793 63.200 -0.179 0.000 1.062 117 S HN 0.162 nan 8.310 nan 0.000 0.483 118 H N 0.505 119.501 119.070 -0.124 0.000 2.767 118 H HA 0.114 4.669 4.556 -0.001 0.000 0.316 118 H C -0.937 174.246 175.328 -0.243 0.000 1.059 118 H CA 0.382 56.384 56.048 -0.076 0.000 1.461 118 H CB 0.475 30.206 29.762 -0.053 0.000 1.475 118 H HN 0.536 nan 8.280 nan 0.000 0.531 119 W N 1.561 122.794 121.300 -0.112 0.000 2.359 119 W HA 0.438 5.098 4.660 -0.001 0.000 0.344 119 W C 0.654 177.162 176.519 -0.019 0.000 1.170 119 W CA -0.221 57.092 57.345 -0.053 0.000 1.296 119 W CB 1.312 30.727 29.460 -0.074 0.000 1.197 119 W HN 0.615 nan 8.180 nan 0.000 0.618 120 G N -0.380 108.485 108.800 0.108 0.000 2.714 120 G HA2 0.696 4.656 3.960 -0.001 0.000 0.292 120 G HA3 0.696 4.656 3.960 -0.001 0.000 0.292 120 G C -1.363 173.606 174.900 0.114 0.000 1.308 120 G CA -0.929 44.222 45.100 0.085 0.000 0.964 120 G HN 0.685 nan 8.290 nan 0.000 0.484 121 G N -0.305 108.530 108.800 0.058 0.000 2.719 121 G HA2 0.459 4.419 3.960 -0.001 0.000 0.298 121 G HA3 0.459 4.419 3.960 -0.001 0.000 0.298 121 G C -1.527 173.371 174.900 -0.003 0.000 1.433 121 G CA -0.459 44.661 45.100 0.034 0.000 1.034 121 G HN 0.465 nan 8.290 nan 0.000 0.517 122 D N 1.441 121.835 120.400 -0.010 0.000 2.383 122 D HA 0.236 4.875 4.640 -0.001 0.000 0.252 122 D C -0.523 175.746 176.300 -0.053 0.000 1.166 122 D CA -0.149 53.837 54.000 -0.024 0.000 0.879 122 D CB 1.536 42.325 40.800 -0.019 0.000 1.164 122 D HN 0.168 nan 8.370 nan 0.000 0.462 123 L N 4.008 125.194 121.223 -0.061 0.000 2.305 123 L HA 0.441 4.781 4.340 -0.001 0.000 0.284 123 L C -0.604 176.185 176.870 -0.135 0.000 1.013 123 L CA -0.352 54.412 54.840 -0.127 0.000 0.819 123 L CB 1.085 43.043 42.059 -0.169 0.000 1.227 123 L HN 0.236 nan 8.230 nan 0.000 0.417 124 K N 2.419 122.714 120.400 -0.176 0.000 2.259 124 K HA 0.794 5.113 4.320 -0.001 0.000 0.252 124 K C -1.002 175.418 176.600 -0.301 0.000 0.936 124 K CA -0.630 55.561 56.287 -0.161 0.000 0.810 124 K CB 1.972 34.427 32.500 -0.076 0.000 1.143 124 K HN 0.730 nan 8.250 nan 0.000 0.427 125 T N -0.656 113.693 114.554 -0.342 0.000 2.912 125 T HA 0.556 4.906 4.350 -0.001 0.000 0.299 125 T C -0.322 174.313 174.700 -0.108 0.000 1.052 125 T CA -0.786 61.052 62.100 -0.436 0.000 0.996 125 T CB 0.764 68.964 68.868 -1.113 0.000 1.070 125 T HN 0.364 nan 8.240 nan 0.000 0.465 126 I N 3.262 123.839 120.570 0.012 0.000 2.371 126 I HA 0.368 4.537 4.170 -0.001 0.000 0.282 126 I C -1.068 175.180 176.117 0.218 0.000 1.031 126 I CA -0.910 60.448 61.300 0.096 0.000 1.180 126 I CB 1.386 39.416 38.000 0.050 0.000 1.336 126 I HN 0.442 nan 8.210 nan 0.000 0.467 127 L N 7.495 128.883 121.223 0.276 0.000 2.329 127 L HA 0.550 4.890 4.340 -0.001 0.000 0.279 127 L C -0.855 176.168 176.870 0.256 0.000 1.014 127 L CA -0.172 54.862 54.840 0.324 0.000 0.814 127 L CB 1.240 43.547 42.059 0.413 0.000 1.257 127 L HN 0.482 nan 8.230 nan 0.000 0.424 128 H N 2.431 121.563 119.070 0.104 0.000 2.954 128 H HA 0.558 5.113 4.556 -0.001 0.000 0.361 128 H C -1.457 173.903 175.328 0.053 0.000 1.122 128 H CA -0.295 55.786 56.048 0.055 0.000 1.217 128 H CB 1.845 31.618 29.762 0.019 0.000 1.776 128 H HN 0.754 nan 8.280 nan 0.000 0.533 129 T N 1.256 115.802 114.554 -0.013 0.000 2.930 129 T HA 0.342 4.691 4.350 -0.001 0.000 0.290 129 T C 0.243 174.820 174.700 -0.204 0.000 1.052 129 T CA -1.067 61.013 62.100 -0.034 0.000 1.017 129 T CB 1.745 70.621 68.868 0.013 0.000 1.137 129 T HN 0.706 nan 8.240 nan 0.000 0.511 130 N N 0.251 118.949 118.700 -0.004 0.000 2.365 130 N HA 0.179 4.919 4.740 -0.001 0.000 0.257 130 N C -0.360 175.127 175.510 -0.038 0.000 1.287 130 N CA -0.237 52.793 53.050 -0.035 0.000 0.882 130 N CB 0.576 39.121 38.487 0.096 0.000 1.250 130 N HN 0.556 nan 8.380 nan 0.000 0.507 131 M N 2.902 122.371 119.600 -0.219 0.000 2.219 131 M HA 0.196 4.676 4.480 -0.001 0.000 0.353 131 M C -2.137 173.835 176.300 -0.546 0.000 1.304 131 M CA -0.966 53.898 55.300 -0.726 0.000 1.115 131 M CB 0.839 33.059 32.600 -0.634 0.000 1.664 131 M HN -0.012 nan 8.290 nan 0.000 0.459 132 P HA 0.118 nan 4.420 nan 0.000 0.307 132 P C -0.271 176.772 177.300 -0.428 0.000 1.306 132 P CA -0.287 62.464 63.100 -0.582 0.000 0.742 132 P CB 0.575 32.002 31.700 -0.457 0.000 1.349 133 N N -0.823 117.661 118.700 -0.359 0.000 2.191 133 N HA -0.024 4.715 4.740 -0.001 0.000 0.193 133 N C -0.025 175.408 175.510 -0.129 0.000 1.053 133 N CA 0.520 53.476 53.050 -0.157 0.000 0.943 133 N CB -0.889 37.595 38.487 -0.005 0.000 1.119 133 N HN 0.009 nan 8.380 nan 0.000 0.487 134 V N 2.077 121.953 119.914 -0.063 0.000 2.557 134 V HA 0.045 4.164 4.120 -0.001 0.000 0.301 134 V C 0.251 176.334 176.094 -0.019 0.000 1.026 134 V CA 0.353 62.639 62.300 -0.022 0.000 1.137 134 V CB 0.004 31.839 31.823 0.019 0.000 0.917 134 V HN 0.569 nan 8.190 nan 0.000 0.484 135 N N 3.137 121.843 118.700 0.009 0.000 2.710 135 N HA 0.237 4.976 4.740 -0.001 0.000 0.257 135 N C 0.386 175.954 175.510 0.097 0.000 1.327 135 N CA -0.633 52.439 53.050 0.036 0.000 0.861 135 N CB 1.759 40.215 38.487 -0.052 0.000 1.532 135 N HN 0.511 nan 8.380 nan 0.000 0.499 136 E N 0.732 121.022 120.200 0.151 0.000 2.006 136 E HA -0.079 4.271 4.350 -0.001 0.000 0.192 136 E C 1.116 177.826 176.600 0.184 0.000 0.993 136 E CA 0.886 57.397 56.400 0.184 0.000 0.808 136 E CB -0.115 29.697 29.700 0.187 0.000 0.764 136 E HN 0.589 nan 8.360 nan 0.000 0.449 137 F N 0.304 120.322 119.950 0.113 0.000 2.216 137 F HA -0.194 4.332 4.527 -0.001 0.000 0.300 137 F C 2.081 177.779 175.800 -0.171 0.000 1.085 137 F CA 0.644 58.633 58.000 -0.018 0.000 1.326 137 F CB 0.228 39.231 39.000 0.004 0.000 1.027 137 F HN 0.084 nan 8.300 nan 0.000 0.497 138 M N -0.176 119.149 119.600 -0.459 0.000 2.618 138 M HA 0.063 4.543 4.480 -0.001 0.000 0.240 138 M C -0.241 176.008 176.300 -0.085 0.000 1.123 138 M CA 0.133 55.169 55.300 -0.440 0.000 1.060 138 M CB -1.362 31.095 32.600 -0.239 0.000 1.535 138 M HN 0.191 nan 8.290 nan 0.000 0.507 139 F N -0.836 119.009 119.950 -0.175 0.000 3.039 139 F HA -0.259 4.267 4.527 -0.001 0.000 0.287 139 F C 0.697 176.482 175.800 -0.025 0.000 0.956 139 F CA 0.813 58.771 58.000 -0.069 0.000 0.971 139 F CB -3.043 35.922 39.000 -0.058 0.000 0.943 139 F HN 0.083 nan 8.300 nan 0.000 0.766 140 T N -2.571 112.066 114.554 0.138 0.000 3.091 140 T HA 0.110 4.460 4.350 -0.001 0.000 0.277 140 T C 1.270 176.019 174.700 0.081 0.000 0.996 140 T CA 0.402 62.541 62.100 0.064 0.000 0.897 140 T CB 0.088 68.953 68.868 -0.006 0.000 1.109 140 T HN 0.559 nan 8.240 nan 0.000 0.534 141 N N 0.629 119.405 118.700 0.127 0.000 2.322 141 N HA 0.120 4.860 4.740 -0.001 0.000 0.181 141 N C 0.201 175.837 175.510 0.210 0.000 1.088 141 N CA 0.040 53.179 53.050 0.148 0.000 0.885 141 N CB 0.341 38.910 38.487 0.136 0.000 1.013 141 N HN 0.071 nan 8.380 nan 0.000 0.472 142 K N -0.175 120.359 120.400 0.222 0.000 2.318 142 K HA 0.445 4.764 4.320 -0.001 0.000 0.249 142 K C -1.607 175.245 176.600 0.420 0.000 0.942 142 K CA -0.958 55.492 56.287 0.271 0.000 0.808 142 K CB 1.849 34.429 32.500 0.133 0.000 1.189 142 K HN 0.206 nan 8.250 nan 0.000 0.428 143 F N -0.995 119.078 119.950 0.205 0.000 2.654 143 F HA 0.552 5.078 4.527 -0.001 0.000 0.308 143 F C -1.353 174.533 175.800 0.144 0.000 1.108 143 F CA -1.213 56.936 58.000 0.247 0.000 0.957 143 F CB 1.306 40.580 39.000 0.457 0.000 1.309 143 F HN 0.140 nan 8.300 nan 0.000 0.446 144 K N 2.155 122.672 120.400 0.194 0.000 2.123 144 K HA 0.905 5.224 4.320 -0.001 0.000 0.259 144 K C -1.002 175.635 176.600 0.062 0.000 0.960 144 K CA -1.042 55.210 56.287 -0.059 0.000 0.872 144 K CB 2.024 34.502 32.500 -0.037 0.000 1.079 144 K HN 0.947 nan 8.250 nan 0.000 0.440 145 A N 1.719 124.503 122.820 -0.060 0.000 2.612 145 A HA 0.455 4.774 4.320 -0.001 0.000 0.293 145 A C -1.505 175.917 177.584 -0.271 0.000 1.075 145 A CA -0.799 51.276 52.037 0.064 0.000 0.680 145 A CB 1.508 20.637 19.000 0.216 0.000 1.279 145 A HN 0.714 nan 8.150 nan 0.000 0.411 146 R N 1.037 121.089 120.500 -0.747 0.000 2.265 146 R HA 0.631 4.971 4.340 -0.001 0.000 0.319 146 R C -1.256 174.772 176.300 -0.453 0.000 1.006 146 R CA -0.104 55.378 56.100 -1.030 0.000 0.880 146 R CB 0.798 29.994 30.300 -1.840 0.000 1.077 146 R HN 0.569 nan 8.270 nan 0.000 0.454 147 V N 4.881 124.643 119.914 -0.255 0.000 3.074 147 V HA 0.421 4.541 4.120 -0.001 0.000 0.314 147 V C 0.204 176.375 176.094 0.129 0.000 1.117 147 V CA -1.224 61.073 62.300 -0.006 0.000 1.014 147 V CB 2.085 33.956 31.823 0.081 0.000 1.057 147 V HN 0.814 nan 8.190 nan 0.000 0.438 148 M N 0.939 120.644 119.600 0.174 0.000 2.235 148 M HA 0.582 5.062 4.480 -0.001 0.000 0.351 148 M C -0.214 176.127 176.300 0.068 0.000 1.178 148 M CA 0.006 55.299 55.300 -0.011 0.000 1.143 148 M CB 1.314 33.720 32.600 -0.323 0.000 1.530 148 M HN 0.290 nan 8.290 nan 0.000 0.461 149 V N 0.943 120.864 119.914 0.013 0.000 2.806 149 V HA 0.113 4.233 4.120 -0.001 0.000 0.239 149 V C 0.777 176.867 176.094 -0.006 0.000 1.113 149 V CA 0.758 63.093 62.300 0.058 0.000 1.137 149 V CB 1.114 32.974 31.823 0.061 0.000 0.865 149 V HN 0.951 nan 8.190 nan 0.000 0.482 150 S N 0.356 116.019 115.700 -0.062 0.000 2.437 150 S HA 0.563 5.033 4.470 -0.001 0.000 0.305 150 S C -0.218 174.319 174.600 -0.106 0.000 1.109 150 S CA -0.388 57.770 58.200 -0.070 0.000 1.099 150 S CB 1.131 64.295 63.200 -0.060 0.000 1.004 150 S HN 0.393 nan 8.310 nan 0.000 0.475 151 R N 3.265 123.723 120.500 -0.070 0.000 2.278 151 R HA 0.306 4.645 4.340 -0.001 0.000 0.322 151 R C -0.263 176.003 176.300 -0.057 0.000 1.058 151 R CA -0.107 55.950 56.100 -0.073 0.000 0.991 151 R CB -0.326 29.950 30.300 -0.041 0.000 1.140 151 R HN 0.702 nan 8.270 nan 0.000 0.518 152 S N 3.204 118.864 115.700 -0.067 0.000 3.371 152 S HA -0.194 4.275 4.470 -0.001 0.000 0.353 152 S C 0.712 175.292 174.600 -0.033 0.000 0.849 152 S CA 0.492 58.663 58.200 -0.048 0.000 1.356 152 S CB -1.271 61.903 63.200 -0.044 0.000 1.217 152 S HN 0.725 nan 8.310 nan 0.000 0.559 153 L N 1.473 122.678 121.223 -0.030 0.000 2.450 153 L HA -0.017 4.322 4.340 -0.001 0.000 0.224 153 L C 1.508 178.368 176.870 -0.017 0.000 1.149 153 L CA 1.153 55.980 54.840 -0.022 0.000 0.816 153 L CB -0.695 41.352 42.059 -0.019 0.000 0.932 153 L HN 0.973 nan 8.230 nan 0.000 0.449 154 T N -0.673 113.870 114.554 -0.018 0.000 4.141 154 T HA -0.170 4.180 4.350 -0.001 0.000 0.352 154 T C 0.290 174.984 174.700 -0.011 0.000 0.756 154 T CA 0.263 62.355 62.100 -0.014 0.000 1.958 154 T CB -1.266 67.594 68.868 -0.013 0.000 1.848 154 T HN 0.193 nan 8.240 nan 0.000 0.872 155 K N 1.894 122.287 120.400 -0.010 0.000 2.361 155 K HA 0.121 4.441 4.320 -0.001 0.000 0.283 155 K C 0.573 177.170 176.600 -0.005 0.000 1.078 155 K CA 0.409 56.691 56.287 -0.007 0.000 1.041 155 K CB 0.109 32.605 32.500 -0.007 0.000 0.932 155 K HN 0.518 nan 8.250 nan 0.000 0.462 156 D N 2.809 123.206 120.400 -0.005 0.000 2.716 156 D HA -0.155 4.485 4.640 -0.001 0.000 0.239 156 D C -1.010 175.287 176.300 -0.004 0.000 1.125 156 D CA 0.821 54.819 54.000 -0.003 0.000 0.681 156 D CB -0.822 39.977 40.800 -0.002 0.000 1.070 156 D HN 0.591 nan 8.370 nan 0.000 0.432 157 K N -0.173 120.224 120.400 -0.005 0.000 5.230 157 K HA -0.254 4.065 4.320 -0.001 0.000 0.331 157 K C -0.475 176.122 176.600 -0.005 0.000 0.863 157 K CA 0.814 57.098 56.287 -0.005 0.000 1.030 157 K CB -0.321 32.176 32.500 -0.004 0.000 1.845 157 K HN 0.343 nan 8.250 nan 0.000 0.404 158 Q N 0.190 119.986 119.800 -0.007 0.000 2.599 158 Q HA 0.093 4.432 4.340 -0.001 0.000 0.248 158 Q C -0.931 175.062 176.000 -0.012 0.000 0.964 158 Q CA -0.562 55.237 55.803 -0.007 0.000 1.011 158 Q CB 1.953 30.688 28.738 -0.005 0.000 1.592 158 Q HN 0.315 nan 8.270 nan 0.000 0.443 159 V N 0.216 120.122 119.914 -0.014 0.000 2.377 159 V HA 0.306 4.426 4.120 -0.001 0.000 0.254 159 V C 0.313 176.391 176.094 -0.027 0.000 1.060 159 V CA 0.092 62.379 62.300 -0.022 0.000 1.068 159 V CB 0.269 32.078 31.823 -0.023 0.000 1.113 159 V HN 0.623 nan 8.190 nan 0.000 0.484 160 E N 5.642 125.823 120.200 -0.033 0.000 2.103 160 E HA 0.386 4.736 4.350 -0.001 0.000 0.254 160 E C -0.540 176.018 176.600 -0.069 0.000 0.940 160 E CA -0.587 55.790 56.400 -0.039 0.000 0.771 160 E CB 1.415 31.101 29.700 -0.024 0.000 1.153 160 E HN 0.941 nan 8.360 nan 0.000 0.428 161 L N 1.623 122.781 121.223 -0.108 0.000 2.275 161 L HA 0.577 4.917 4.340 -0.001 0.000 0.288 161 L C -0.235 176.467 176.870 -0.280 0.000 1.046 161 L CA -0.812 53.907 54.840 -0.202 0.000 0.805 161 L CB 1.005 42.909 42.059 -0.257 0.000 1.193 161 L HN 0.010 nan 8.230 nan 0.000 0.426 162 K N 3.238 123.482 120.400 -0.260 0.000 2.090 162 K HA 0.532 4.851 4.320 -0.001 0.000 0.249 162 K C -1.361 175.045 176.600 -0.324 0.000 0.995 162 K CA -0.576 55.595 56.287 -0.194 0.000 0.914 162 K CB 1.522 33.977 32.500 -0.075 0.000 1.057 162 K HN 0.536 nan 8.250 nan 0.000 0.462 163 Y N -0.204 120.062 120.300 -0.056 0.000 2.605 163 Y HA 0.353 4.902 4.550 -0.001 0.000 0.343 163 Y C -0.346 175.489 175.900 -0.108 0.000 1.036 163 Y CA -0.802 57.232 58.100 -0.109 0.000 1.065 163 Y CB 2.675 41.035 38.460 -0.166 0.000 1.288 163 Y HN 0.580 nan 8.280 nan 0.000 0.481 164 E N 0.541 120.751 120.200 0.017 0.000 2.375 164 E HA 0.271 4.621 4.350 -0.001 0.000 0.280 164 E C -2.155 174.330 176.600 -0.193 0.000 0.972 164 E CA -0.729 55.650 56.400 -0.036 0.000 0.782 164 E CB 1.381 31.085 29.700 0.007 0.000 1.229 164 E HN 0.539 nan 8.360 nan 0.000 0.439 165 W N 3.364 124.602 121.300 -0.103 0.000 2.316 165 W HA 0.443 5.102 4.660 -0.001 0.000 0.311 165 W C -0.437 175.924 176.519 -0.264 0.000 1.217 165 W CA -0.139 57.096 57.345 -0.185 0.000 1.199 165 W CB 1.135 30.504 29.460 -0.152 0.000 1.202 165 W HN 0.234 nan 8.180 nan 0.000 0.528 166 V N 0.192 119.968 119.914 -0.230 0.000 3.078 166 V HA 0.435 4.554 4.120 -0.001 0.000 0.311 166 V C -0.843 174.832 176.094 -0.699 0.000 1.138 166 V CA -1.632 60.406 62.300 -0.436 0.000 1.007 166 V CB 1.954 33.475 31.823 -0.504 0.000 1.045 166 V HN 0.490 nan 8.190 nan 0.000 0.432 167 E N 1.570 121.479 120.200 -0.485 0.000 2.035 167 E HA 0.493 4.842 4.350 -0.001 0.000 0.271 167 E C -1.295 175.119 176.600 -0.309 0.000 0.953 167 E CA -0.425 55.746 56.400 -0.381 0.000 0.777 167 E CB 0.680 30.288 29.700 -0.154 0.000 1.104 167 E HN 0.589 nan 8.360 nan 0.000 0.408 168 F N 1.468 121.246 119.950 -0.287 0.000 2.382 168 F HA 0.266 4.792 4.527 -0.001 0.000 0.331 168 F C 0.894 176.672 175.800 -0.038 0.000 1.121 168 F CA -0.359 57.502 58.000 -0.232 0.000 1.183 168 F CB 1.197 39.884 39.000 -0.523 0.000 1.207 168 F HN 0.169 nan 8.300 nan 0.000 0.555 169 T N 2.807 117.517 114.554 0.261 0.000 2.893 169 T HA 0.657 5.006 4.350 -0.001 0.000 0.291 169 T C -0.581 174.254 174.700 0.224 0.000 1.028 169 T CA -0.792 61.437 62.100 0.215 0.000 0.995 169 T CB 1.750 70.711 68.868 0.154 0.000 1.051 169 T HN 0.329 nan 8.240 nan 0.000 0.470 170 L N 2.663 124.010 121.223 0.206 0.000 2.319 170 L HA 0.579 4.919 4.340 -0.001 0.000 0.267 170 L C -1.916 175.037 176.870 0.139 0.000 1.011 170 L CA -2.460 52.487 54.840 0.179 0.000 0.818 170 L CB 2.187 44.353 42.059 0.179 0.000 1.316 170 L HN 0.468 nan 8.230 nan 0.000 0.432 171 P HA 0.217 nan 4.420 nan 0.000 0.205 171 P C 0.227 177.589 177.300 0.102 0.000 1.858 171 P CA -0.235 62.932 63.100 0.111 0.000 0.998 171 P CB 0.867 32.633 31.700 0.110 0.000 1.875 172 E N 0.961 121.220 120.200 0.098 0.000 4.114 172 E HA -0.358 3.991 4.350 -0.001 0.000 0.212 172 E C 1.772 178.409 176.600 0.061 0.000 1.297 172 E CA 2.462 58.911 56.400 0.082 0.000 2.157 172 E CB -1.729 28.029 29.700 0.096 0.000 1.888 172 E HN 0.448 nan 8.360 nan 0.000 0.266 173 G N 2.684 111.528 108.800 0.074 0.000 2.556 173 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.220 173 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.220 173 G C 0.660 175.639 174.900 0.131 0.000 1.156 173 G CA 1.354 46.496 45.100 0.070 0.000 0.766 173 G HN 0.580 nan 8.290 nan 0.000 0.583 174 N N -0.076 118.737 118.700 0.189 0.000 2.374 174 N HA 0.107 4.847 4.740 -0.001 0.000 0.241 174 N C -0.430 175.274 175.510 0.323 0.000 1.262 174 N CA 0.705 53.915 53.050 0.266 0.000 0.880 174 N CB 0.144 38.713 38.487 0.135 0.000 1.105 174 N HN 0.768 nan 8.380 nan 0.000 0.438 175 Y N -3.042 117.238 120.300 -0.033 0.000 2.782 175 Y HA 0.421 4.971 4.550 -0.001 0.000 0.264 175 Y C -1.442 174.429 175.900 -0.048 0.000 1.020 175 Y CA -0.961 57.111 58.100 -0.046 0.000 1.223 175 Y CB -0.032 38.403 38.460 -0.042 0.000 1.137 175 Y HN 0.360 nan 8.280 nan 0.000 0.560 176 S N 1.211 116.893 115.700 -0.030 0.000 2.568 176 S HA 0.185 4.654 4.470 -0.001 0.000 0.293 176 S C 0.786 175.340 174.600 -0.077 0.000 1.089 176 S CA -0.515 57.636 58.200 -0.081 0.000 0.945 176 S CB 1.787 64.917 63.200 -0.118 0.000 1.077 176 S HN 0.783 nan 8.310 nan 0.000 0.485 177 E N 0.722 120.878 120.200 -0.073 0.000 2.274 177 E HA -0.072 4.277 4.350 -0.001 0.000 0.194 177 E C 1.030 177.566 176.600 -0.108 0.000 0.996 177 E CA 1.421 57.768 56.400 -0.089 0.000 0.840 177 E CB -0.307 29.346 29.700 -0.078 0.000 0.772 177 E HN 0.502 nan 8.360 nan 0.000 0.491 178 T N 0.899 115.390 114.554 -0.106 0.000 2.755 178 T HA -0.039 4.310 4.350 -0.001 0.000 0.251 178 T C 1.772 176.369 174.700 -0.171 0.000 1.044 178 T CA 1.144 63.172 62.100 -0.121 0.000 1.154 178 T CB -0.260 68.543 68.868 -0.108 0.000 0.866 178 T HN 0.155 nan 8.240 nan 0.000 0.416 179 M N 1.629 121.111 119.600 -0.196 0.000 2.374 179 M HA -0.082 4.398 4.480 -0.001 0.000 0.264 179 M C 1.766 177.907 176.300 -0.265 0.000 1.067 179 M CA 1.125 56.247 55.300 -0.297 0.000 1.103 179 M CB -0.469 31.980 32.600 -0.252 0.000 1.402 179 M HN 0.187 nan 8.290 nan 0.000 0.444 180 T N 0.782 115.230 114.554 -0.178 0.000 2.915 180 T HA -0.062 4.288 4.350 -0.001 0.000 0.269 180 T C 1.717 176.299 174.700 -0.198 0.000 1.071 180 T CA 1.015 63.023 62.100 -0.153 0.000 1.132 180 T CB -0.256 68.525 68.868 -0.144 0.000 0.878 180 T HN 0.299 nan 8.240 nan 0.000 0.479 181 I N 2.482 122.923 120.570 -0.215 0.000 2.133 181 I HA -0.118 4.051 4.170 -0.001 0.000 0.238 181 I C 2.147 178.192 176.117 -0.120 0.000 1.074 181 I CA 1.382 62.555 61.300 -0.211 0.000 1.342 181 I CB -1.271 36.643 38.000 -0.143 0.000 1.053 181 I HN 0.165 nan 8.210 nan 0.000 0.404 182 D N 0.865 121.157 120.400 -0.179 0.000 2.190 182 D HA -0.170 4.469 4.640 -0.001 0.000 0.200 182 D C 2.243 178.488 176.300 -0.090 0.000 0.992 182 D CA 0.868 54.742 54.000 -0.209 0.000 0.854 182 D CB -0.151 40.291 40.800 -0.598 0.000 0.936 182 D HN 0.128 nan 8.370 nan 0.000 0.462 183 L N 0.100 121.248 121.223 -0.124 0.000 2.056 183 L HA -0.022 4.317 4.340 -0.001 0.000 0.207 183 L C 2.352 179.317 176.870 0.158 0.000 1.078 183 L CA 1.218 56.104 54.840 0.078 0.000 0.749 183 L CB -0.909 41.176 42.059 0.044 0.000 0.901 183 L HN 0.090 nan 8.230 nan 0.000 0.433 184 M N -0.889 118.787 119.600 0.127 0.000 2.067 184 M HA -0.215 4.264 4.480 -0.001 0.000 0.260 184 M C 1.960 178.466 176.300 0.344 0.000 1.069 184 M CA 1.501 56.982 55.300 0.302 0.000 1.117 184 M CB -0.602 32.033 32.600 0.057 0.000 1.334 184 M HN 0.184 nan 8.290 nan 0.000 0.407 185 N N 0.832 119.717 118.700 0.309 0.000 2.094 185 N HA -0.194 4.546 4.740 -0.001 0.000 0.191 185 N C 1.395 177.004 175.510 0.165 0.000 1.023 185 N CA 1.742 54.944 53.050 0.255 0.000 0.857 185 N CB -0.675 37.953 38.487 0.235 0.000 1.013 185 N HN 0.452 nan 8.380 nan 0.000 0.426 186 N N 0.511 119.332 118.700 0.201 0.000 2.069 186 N HA -0.129 4.611 4.740 -0.001 0.000 0.191 186 N C 1.270 176.828 175.510 0.080 0.000 1.031 186 N CA 1.945 55.098 53.050 0.171 0.000 0.852 186 N CB -0.280 38.378 38.487 0.285 0.000 1.018 186 N HN 0.170 nan 8.380 nan 0.000 0.423 187 A N -0.898 121.956 122.820 0.057 0.000 2.238 187 A HA 0.206 4.526 4.320 -0.001 0.000 0.208 187 A C 1.923 179.233 177.584 -0.457 0.000 1.177 187 A CA 0.085 52.086 52.037 -0.061 0.000 0.804 187 A CB -0.435 18.592 19.000 0.046 0.000 0.823 187 A HN 0.402 nan 8.150 nan 0.000 0.482 188 I N -1.261 119.052 120.570 -0.428 0.000 2.500 188 I HA -0.119 4.051 4.170 -0.001 0.000 0.252 188 I C 2.199 178.289 176.117 -0.044 0.000 1.142 188 I CA 0.922 61.929 61.300 -0.488 0.000 1.451 188 I CB 0.225 38.124 38.000 -0.169 0.000 1.093 188 I HN 0.165 nan 8.210 nan 0.000 0.430 189 V N -0.479 119.448 119.914 0.022 0.000 2.500 189 V HA -0.156 3.964 4.120 -0.001 0.000 0.243 189 V C 2.236 178.413 176.094 0.138 0.000 1.039 189 V CA 1.270 63.638 62.300 0.115 0.000 1.053 189 V CB -0.304 31.550 31.823 0.052 0.000 0.695 189 V HN 0.342 nan 8.190 nan 0.000 0.463 190 E N -0.533 119.713 120.200 0.077 0.000 2.267 190 E HA -0.295 4.055 4.350 -0.001 0.000 0.197 190 E C 1.975 178.621 176.600 0.077 0.000 0.998 190 E CA 1.390 57.831 56.400 0.068 0.000 0.830 190 E CB -0.051 29.686 29.700 0.062 0.000 0.751 190 E HN 0.827 nan 8.360 nan 0.000 0.491 191 H N -1.115 118.017 119.070 0.104 0.000 2.317 191 H HA -0.156 4.399 4.556 -0.001 0.000 0.304 191 H C 1.863 177.297 175.328 0.177 0.000 1.067 191 H CA 1.854 58.002 56.048 0.167 0.000 1.352 191 H CB -0.591 29.347 29.762 0.294 0.000 1.398 191 H HN 0.254 nan 8.280 nan 0.000 0.510 192 Y N 1.242 121.346 120.300 -0.326 0.000 2.139 192 Y HA -0.242 4.307 4.550 -0.001 0.000 0.282 192 Y C 2.010 177.818 175.900 -0.153 0.000 1.179 192 Y CA 2.082 60.060 58.100 -0.202 0.000 1.161 192 Y CB -0.535 37.941 38.460 0.027 0.000 0.970 192 Y HN 0.291 nan 8.280 nan 0.000 0.511 193 L N 0.202 121.372 121.223 -0.088 0.000 2.362 193 L HA -0.165 4.174 4.340 -0.001 0.000 0.219 193 L C 2.473 179.232 176.870 -0.185 0.000 1.134 193 L CA 1.194 55.936 54.840 -0.164 0.000 0.807 193 L CB -0.486 41.566 42.059 -0.012 0.000 0.927 193 L HN 0.209 nan 8.230 nan 0.000 0.447 194 K N -0.669 119.615 120.400 -0.194 0.000 2.276 194 K HA 0.074 4.393 4.320 -0.001 0.000 0.198 194 K C 1.499 177.998 176.600 -0.168 0.000 1.052 194 K CA 0.670 56.872 56.287 -0.142 0.000 0.984 194 K CB 0.909 33.364 32.500 -0.075 0.000 0.836 194 K HN 0.129 nan 8.250 nan 0.000 0.490 195 V N -1.672 118.081 119.914 -0.268 0.000 3.161 195 V HA 0.066 4.185 4.120 -0.001 0.000 0.228 195 V C 1.900 177.879 176.094 -0.192 0.000 1.415 195 V CA 0.888 63.078 62.300 -0.183 0.000 1.285 195 V CB 0.554 32.329 31.823 -0.079 0.000 1.100 195 V HN 0.280 nan 8.190 nan 0.000 0.478 196 G N 2.223 110.863 108.800 -0.266 0.000 2.511 196 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.216 196 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.216 196 G C 1.475 176.236 174.900 -0.231 0.000 1.218 196 G CA 1.451 46.479 45.100 -0.120 0.000 0.788 196 G HN 0.610 nan 8.290 nan 0.000 0.560 197 R N -0.199 119.892 120.500 -0.681 0.000 2.120 197 R HA 0.002 4.341 4.340 -0.001 0.000 0.234 197 R C 2.270 178.433 176.300 -0.228 0.000 1.123 197 R CA 1.451 57.269 56.100 -0.471 0.000 0.975 197 R CB -0.448 29.456 30.300 -0.660 0.000 0.866 197 R HN 0.274 nan 8.270 nan 0.000 0.446 198 Q N 0.842 120.504 119.800 -0.230 0.000 2.224 198 Q HA -0.014 4.326 4.340 -0.001 0.000 0.203 198 Q C 0.537 176.484 176.000 -0.088 0.000 0.970 198 Q CA 0.916 56.638 55.803 -0.135 0.000 0.865 198 Q CB -0.145 28.516 28.738 -0.128 0.000 0.922 198 Q HN 0.513 nan 8.270 nan 0.000 0.445 199 N N -0.654 117.997 118.700 -0.083 0.000 2.389 199 N HA 0.181 4.921 4.740 -0.001 0.000 0.260 199 N C 0.403 175.890 175.510 -0.039 0.000 1.191 199 N CA 0.653 53.673 53.050 -0.050 0.000 0.885 199 N CB 1.502 39.967 38.487 -0.037 0.000 1.162 199 N HN 0.376 nan 8.380 nan 0.000 0.512 200 G N -0.342 108.435 108.800 -0.039 0.000 2.213 200 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.226 200 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.226 200 G C 0.095 175.004 174.900 0.014 0.000 0.992 200 G CA -0.341 44.749 45.100 -0.017 0.000 0.632 200 G HN 0.209 nan 8.290 nan 0.000 0.511 201 V N 2.434 122.373 119.914 0.041 0.000 2.521 201 V HA 0.431 4.551 4.120 -0.001 0.000 0.286 201 V C 1.252 177.500 176.094 0.257 0.000 1.034 201 V CA -0.055 62.321 62.300 0.126 0.000 1.045 201 V CB 1.213 33.132 31.823 0.160 0.000 0.974 201 V HN 0.380 nan 8.190 nan 0.000 0.480 202 L N 4.607 125.920 121.223 0.151 0.000 2.453 202 L HA 0.262 4.601 4.340 -0.001 0.000 0.261 202 L C 1.651 178.566 176.870 0.075 0.000 1.179 202 L CA -0.148 54.774 54.840 0.137 0.000 0.813 202 L CB 0.619 42.716 42.059 0.064 0.000 1.110 202 L HN 0.680 nan 8.230 nan 0.000 0.466 203 E N 0.141 120.362 120.200 0.036 0.000 2.150 203 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 203 E C 1.608 178.033 176.600 -0.291 0.000 0.985 203 E CA 1.434 57.723 56.400 -0.186 0.000 0.814 203 E CB 0.007 29.682 29.700 -0.041 0.000 0.752 203 E HN 0.726 nan 8.360 nan 0.000 0.466 204 S N 1.131 116.753 115.700 -0.129 0.000 2.607 204 S HA -0.014 4.455 4.470 -0.001 0.000 0.224 204 S C 0.404 174.966 174.600 -0.064 0.000 0.969 204 S CA 0.257 58.410 58.200 -0.078 0.000 0.927 204 S CB 0.084 63.279 63.200 -0.008 0.000 0.772 204 S HN 0.092 nan 8.310 nan 0.000 0.533 205 D N 0.901 121.253 120.400 -0.080 0.000 2.892 205 D HA 0.311 4.950 4.640 -0.001 0.000 0.291 205 D C 0.722 176.995 176.300 -0.044 0.000 1.341 205 D CA -0.423 53.542 54.000 -0.058 0.000 0.844 205 D CB 0.236 41.012 40.800 -0.040 0.000 1.093 205 D HN 0.184 nan 8.370 nan 0.000 0.480 206 I N 0.854 121.391 120.570 -0.055 0.000 2.133 206 I HA -0.049 4.121 4.170 -0.001 0.000 0.238 206 I C 1.956 178.076 176.117 0.005 0.000 1.074 206 I CA 1.830 63.080 61.300 -0.083 0.000 1.342 206 I CB -0.750 37.143 38.000 -0.179 0.000 1.053 206 I HN 0.383 nan 8.210 nan 0.000 0.404 207 G N 0.133 108.959 108.800 0.042 0.000 3.110 207 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.238 207 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.238 207 G C 0.064 174.920 174.900 -0.074 0.000 1.647 207 G CA 0.012 45.112 45.100 0.001 0.000 1.146 207 G HN 0.416 nan 8.290 nan 0.000 0.545 208 V N 0.097 119.950 119.914 -0.101 0.000 2.470 208 V HA 0.695 4.814 4.120 -0.001 0.000 0.276 208 V C 0.223 176.154 176.094 -0.272 0.000 1.040 208 V CA 0.290 62.465 62.300 -0.208 0.000 1.008 208 V CB 1.146 32.865 31.823 -0.173 0.000 0.990 208 V HN 0.778 nan 8.190 nan 0.000 0.477 209 K N 4.497 124.683 120.400 -0.356 0.000 2.513 209 K HA 0.515 4.835 4.320 -0.001 0.000 0.251 209 K C -1.794 174.658 176.600 -0.247 0.000 0.939 209 K CA -0.628 55.497 56.287 -0.270 0.000 0.793 209 K CB 2.015 34.424 32.500 -0.152 0.000 1.241 209 K HN 0.632 nan 8.250 nan 0.000 0.431 210 F N 2.763 122.742 119.950 0.048 0.000 2.313 210 F HA 0.216 4.743 4.527 -0.001 0.000 0.369 210 F C 0.697 176.513 175.800 0.028 0.000 1.109 210 F CA -0.690 57.332 58.000 0.037 0.000 1.132 210 F CB 0.839 39.845 39.000 0.010 0.000 1.291 210 F HN 0.430 nan 8.300 nan 0.000 0.496 211 D N 0.515 121.043 120.400 0.214 0.000 2.549 211 D HA 0.352 4.992 4.640 -0.001 0.000 0.270 211 D C 0.902 177.277 176.300 0.124 0.000 1.181 211 D CA -0.205 53.883 54.000 0.147 0.000 1.070 211 D CB 1.695 42.610 40.800 0.191 0.000 1.154 211 D HN 0.453 nan 8.370 nan 0.000 0.602 212 T N -3.104 111.483 114.554 0.055 0.000 3.041 212 T HA 0.177 4.526 4.350 -0.001 0.000 0.276 212 T C 0.601 175.277 174.700 -0.039 0.000 0.948 212 T CA -0.417 61.681 62.100 -0.005 0.000 0.885 212 T CB 0.163 68.999 68.868 -0.052 0.000 1.175 212 T HN 0.447 nan 8.240 nan 0.000 0.529 213 R N 1.027 121.519 120.500 -0.013 0.000 2.643 213 R HA 0.546 4.885 4.340 -0.001 0.000 0.272 213 R C -0.701 175.621 176.300 0.038 0.000 0.995 213 R CA -0.828 55.258 56.100 -0.025 0.000 1.032 213 R CB 0.445 30.651 30.300 -0.157 0.000 1.126 213 R HN -0.036 nan 8.270 nan 0.000 0.505 214 N N 1.637 120.315 118.700 -0.037 0.000 2.420 214 N HA 0.023 4.763 4.740 -0.001 0.000 0.262 214 N C -0.257 175.332 175.510 0.131 0.000 1.144 214 N CA -0.179 52.904 53.050 0.056 0.000 0.952 214 N CB 0.260 38.538 38.487 -0.348 0.000 1.081 214 N HN 0.575 nan 8.380 nan 0.000 0.480 215 F N 2.159 122.127 119.950 0.031 0.000 2.219 215 F HA 0.195 4.721 4.527 -0.001 0.000 0.294 215 F C 2.130 177.976 175.800 0.077 0.000 1.086 215 F CA 0.532 58.501 58.000 -0.052 0.000 1.330 215 F CB 0.075 38.933 39.000 -0.237 0.000 1.047 215 F HN 0.418 nan 8.300 nan 0.000 0.495 216 R N 0.626 121.251 120.500 0.209 0.000 2.366 216 R HA -0.031 4.309 4.340 -0.001 0.000 0.201 216 R C -0.383 175.938 176.300 0.035 0.000 1.057 216 R CA -0.014 56.078 56.100 -0.014 0.000 1.086 216 R CB -0.664 29.383 30.300 -0.421 0.000 0.914 216 R HN 0.059 nan 8.270 nan 0.000 0.476 217 L N -0.191 121.099 121.223 0.112 0.000 2.265 217 L HA 0.280 4.619 4.340 -0.001 0.000 0.288 217 L C 1.011 177.956 176.870 0.126 0.000 1.058 217 L CA 0.843 55.725 54.840 0.069 0.000 0.809 217 L CB 1.297 43.334 42.059 -0.037 0.000 1.179 217 L HN 0.355 nan 8.230 nan 0.000 0.429 218 G N 4.062 112.932 108.800 0.117 0.000 2.259 218 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.217 218 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.217 218 G C 0.338 175.322 174.900 0.140 0.000 1.001 218 G CA 0.021 45.185 45.100 0.107 0.000 0.627 218 G HN 0.576 nan 8.290 nan 0.000 0.501 219 F N 2.685 122.640 119.950 0.007 0.000 2.629 219 F HA 0.459 4.985 4.527 -0.001 0.000 0.377 219 F C 0.375 176.151 175.800 -0.039 0.000 1.101 219 F CA 0.578 58.570 58.000 -0.013 0.000 1.301 219 F CB 0.575 39.564 39.000 -0.018 0.000 1.062 219 F HN 0.164 nan 8.300 nan 0.000 0.583 220 D N 7.665 127.739 120.400 -0.543 0.000 2.278 220 D HA 0.347 4.986 4.640 -0.001 0.000 0.245 220 D C -1.752 173.950 176.300 -0.996 0.000 1.052 220 D CA -2.013 51.662 54.000 -0.541 0.000 0.834 220 D CB 1.807 42.394 40.800 -0.356 0.000 1.194 220 D HN 0.226 nan 8.370 nan 0.000 0.481 221 P HA -0.095 nan 4.420 nan 0.000 0.223 221 P C 0.885 178.010 177.300 -0.291 0.000 1.151 221 P CA 0.564 63.453 63.100 -0.352 0.000 0.787 221 P CB 0.412 32.079 31.700 -0.055 0.000 0.788 222 V N -0.621 119.125 119.914 -0.280 0.000 2.949 222 V HA -0.040 4.079 4.120 -0.001 0.000 0.245 222 V C 2.393 178.346 176.094 -0.235 0.000 1.086 222 V CA 1.736 63.916 62.300 -0.201 0.000 1.097 222 V CB -1.662 30.071 31.823 -0.149 0.000 0.762 222 V HN 0.106 nan 8.190 nan 0.000 0.470 223 T N 0.328 114.691 114.554 -0.319 0.000 2.904 223 T HA 0.127 4.477 4.350 -0.001 0.000 0.267 223 T C 1.724 176.233 174.700 -0.319 0.000 1.059 223 T CA 1.316 63.235 62.100 -0.302 0.000 1.137 223 T CB -0.302 68.374 68.868 -0.320 0.000 0.879 223 T HN 0.809 nan 8.240 nan 0.000 0.467 224 G N 1.138 109.654 108.800 -0.474 0.000 2.155 224 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.257 224 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.257 224 G C -0.052 174.711 174.900 -0.229 0.000 0.983 224 G CA 0.234 45.106 45.100 -0.379 0.000 0.676 224 G HN 0.522 nan 8.290 nan 0.000 0.528 225 L N -0.919 120.119 121.223 -0.307 0.000 2.415 225 L HA 0.585 4.924 4.340 -0.001 0.000 0.256 225 L C 0.353 177.198 176.870 -0.043 0.000 1.010 225 L CA -1.520 53.278 54.840 -0.071 0.000 0.826 225 L CB 2.187 44.179 42.059 -0.112 0.000 1.405 225 L HN -0.120 nan 8.230 nan 0.000 0.410 226 V N 2.303 122.259 119.914 0.070 0.000 2.439 226 V HA 0.020 4.139 4.120 -0.001 0.000 0.271 226 V C 1.139 177.200 176.094 -0.054 0.000 1.040 226 V CA -0.198 62.132 62.300 0.049 0.000 1.002 226 V CB 1.055 32.880 31.823 0.003 0.000 1.000 226 V HN 0.713 nan 8.190 nan 0.000 0.477 227 M N 6.320 125.882 119.600 -0.062 0.000 2.175 227 M HA 0.036 4.515 4.480 -0.001 0.000 0.264 227 M C -0.349 175.910 176.300 -0.069 0.000 1.063 227 M CA 1.180 56.423 55.300 -0.095 0.000 1.119 227 M CB -1.580 30.958 32.600 -0.103 0.000 1.377 227 M HN 0.482 nan 8.290 nan 0.000 0.415 228 P HA 0.335 nan 4.420 nan 0.000 0.254 228 P C 0.680 177.953 177.300 -0.044 0.000 1.620 228 P CA 0.451 63.533 63.100 -0.030 0.000 1.050 228 P CB -0.189 31.507 31.700 -0.007 0.000 1.539 229 G N -0.449 108.304 108.800 -0.078 0.000 2.205 229 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.269 229 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.269 229 G C 0.051 174.877 174.900 -0.124 0.000 0.977 229 G CA 0.295 45.337 45.100 -0.098 0.000 0.652 229 G HN 0.417 nan 8.290 nan 0.000 0.539 230 V N 0.199 120.039 119.914 -0.125 0.000 2.623 230 V HA 0.478 4.597 4.120 -0.001 0.000 0.304 230 V C -0.134 175.903 176.094 -0.095 0.000 1.054 230 V CA -1.458 60.785 62.300 -0.095 0.000 0.882 230 V CB 1.533 33.352 31.823 -0.008 0.000 1.002 230 V HN 0.252 nan 8.190 nan 0.000 0.424 231 Y N 1.812 122.111 120.300 -0.001 0.000 2.544 231 Y HA 0.092 4.642 4.550 -0.001 0.000 0.330 231 Y C 1.562 177.395 175.900 -0.112 0.000 1.136 231 Y CA -0.039 58.012 58.100 -0.081 0.000 1.417 231 Y CB 0.325 38.629 38.460 -0.259 0.000 1.229 231 Y HN 0.616 nan 8.280 nan 0.000 0.532 232 T N 3.230 117.839 114.554 0.092 0.000 2.758 232 T HA -0.133 4.216 4.350 -0.001 0.000 0.249 232 T C 0.625 175.332 174.700 0.012 0.000 1.011 232 T CA -0.056 62.068 62.100 0.039 0.000 1.301 232 T CB -0.714 68.176 68.868 0.036 0.000 0.992 232 T HN 0.474 nan 8.240 nan 0.000 0.549 233 N N 3.268 121.973 118.700 0.009 0.000 3.117 233 N HA 0.035 4.774 4.740 -0.001 0.000 0.323 233 N C -0.272 175.241 175.510 0.005 0.000 1.245 233 N CA -0.012 53.031 53.050 -0.011 0.000 1.191 233 N CB 0.049 38.533 38.487 -0.005 0.000 1.451 233 N HN 0.554 nan 8.380 nan 0.000 0.555 234 E N 0.024 120.255 120.200 0.051 0.000 2.218 234 E HA 0.563 4.912 4.350 -0.001 0.000 0.263 234 E C -0.998 175.674 176.600 0.120 0.000 0.879 234 E CA -0.844 55.603 56.400 0.079 0.000 0.762 234 E CB 1.252 31.046 29.700 0.157 0.000 1.166 234 E HN 0.332 nan 8.360 nan 0.000 0.415 235 A N 3.815 126.600 122.820 -0.059 0.000 2.511 235 A HA 0.253 4.573 4.320 -0.001 0.000 0.242 235 A C -0.434 176.825 177.584 -0.540 0.000 1.069 235 A CA 0.239 52.169 52.037 -0.178 0.000 0.763 235 A CB -0.048 18.832 19.000 -0.201 0.000 1.001 235 A HN 0.663 nan 8.150 nan 0.000 0.498 236 F N 2.533 122.186 119.950 -0.495 0.000 2.881 236 F HA 0.267 4.794 4.527 -0.001 0.000 0.343 236 F C 1.107 176.542 175.800 -0.608 0.000 1.233 236 F CA 0.228 57.853 58.000 -0.626 0.000 1.262 236 F CB -0.275 38.417 39.000 -0.513 0.000 0.980 236 F HN 0.900 nan 8.300 nan 0.000 0.506 237 H N -2.143 116.806 119.070 -0.202 0.000 1.562 237 H HA -0.199 4.357 4.556 -0.001 0.000 0.090 237 H C -1.985 173.293 175.328 -0.083 0.000 0.613 237 H CA 1.044 57.013 56.048 -0.132 0.000 1.889 237 H CB -2.505 27.186 29.762 -0.117 0.000 2.240 237 H HN 0.042 nan 8.280 nan 0.000 0.959 238 P HA 0.185 nan 4.420 nan 0.000 0.274 238 P C -0.844 176.506 177.300 0.084 0.000 1.291 238 P CA 0.133 63.278 63.100 0.075 0.000 0.815 238 P CB -0.100 31.710 31.700 0.184 0.000 0.897 239 D N 3.588 124.002 120.400 0.024 0.000 2.586 239 D HA -0.051 4.588 4.640 -0.001 0.000 0.234 239 D C 0.755 177.162 176.300 0.179 0.000 1.132 239 D CA 0.322 54.355 54.000 0.056 0.000 0.860 239 D CB 0.059 40.857 40.800 -0.003 0.000 1.159 239 D HN 0.291 nan 8.370 nan 0.000 0.490 240 I N 1.409 122.134 120.570 0.260 0.000 3.138 240 I HA 0.138 4.308 4.170 -0.001 0.000 0.288 240 I C 0.503 176.824 176.117 0.340 0.000 1.148 240 I CA -0.514 61.020 61.300 0.390 0.000 1.315 240 I CB 0.336 38.531 38.000 0.324 0.000 1.426 240 I HN 0.260 nan 8.210 nan 0.000 0.615 241 I N 4.177 124.957 120.570 0.349 0.000 2.389 241 I HA 0.353 4.522 4.170 -0.001 0.000 0.288 241 I C -0.701 175.469 176.117 0.088 0.000 0.999 241 I CA -0.386 61.032 61.300 0.196 0.000 1.129 241 I CB 1.153 39.269 38.000 0.195 0.000 1.288 241 I HN 0.260 nan 8.210 nan 0.000 0.444 242 L N 7.622 128.816 121.223 -0.049 0.000 2.295 242 L HA 0.736 5.076 4.340 -0.001 0.000 0.285 242 L C -0.760 176.041 176.870 -0.115 0.000 1.035 242 L CA -0.638 54.136 54.840 -0.109 0.000 0.806 242 L CB 1.107 43.033 42.059 -0.222 0.000 1.214 242 L HN 0.470 nan 8.230 nan 0.000 0.426 243 L N 3.619 124.811 121.223 -0.053 0.000 2.513 243 L HA 0.680 5.019 4.340 -0.001 0.000 0.261 243 L C -2.901 173.782 176.870 -0.313 0.000 0.945 243 L CA -1.474 53.293 54.840 -0.121 0.000 0.848 243 L CB 2.613 44.603 42.059 -0.115 0.000 1.334 243 L HN 0.309 nan 8.230 nan 0.000 0.407 244 P HA 0.330 nan 4.420 nan 0.000 0.308 244 P C 0.501 177.285 177.300 -0.861 0.000 1.497 244 P CA -0.227 62.194 63.100 -1.133 0.000 1.101 244 P CB 2.180 33.527 31.700 -0.588 0.000 1.095 245 G N 2.467 110.590 108.800 -1.128 0.000 2.302 245 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.263 245 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.263 245 G C 0.444 174.871 174.900 -0.789 0.000 0.995 245 G CA 0.766 45.553 45.100 -0.522 0.000 0.622 245 G HN 0.800 nan 8.290 nan 0.000 0.538 246 C N -1.968 116.945 119.300 -0.644 0.000 3.462 246 C HA 1.111 5.570 4.460 -0.001 0.000 0.298 246 C C 1.035 175.785 174.990 -0.401 0.000 3.205 246 C CA 0.004 58.644 59.018 -0.630 0.000 1.845 246 C CB 1.286 28.708 27.740 -0.531 0.000 3.397 246 C HN 2.162 nan 8.230 nan 0.000 0.473 247 G N -1.101 107.455 108.800 -0.406 0.000 2.322 247 G HA2 0.600 4.560 3.960 -0.001 0.000 0.295 247 G HA3 0.600 4.560 3.960 -0.001 0.000 0.295 247 G C -1.185 173.642 174.900 -0.122 0.000 1.369 247 G CA 0.177 45.156 45.100 -0.201 0.000 0.821 247 G HN 1.931 nan 8.290 nan 0.000 0.536 248 V N -2.409 117.501 119.914 -0.008 0.000 3.234 248 V HA 0.938 5.058 4.120 -0.001 0.000 0.317 248 V C -0.738 175.287 176.094 -0.116 0.000 1.147 248 V CA -0.662 61.612 62.300 -0.044 0.000 1.037 248 V CB 2.161 33.853 31.823 -0.218 0.000 1.148 248 V HN 0.997 nan 8.190 nan 0.000 0.455 249 D N -0.240 119.884 120.400 -0.460 0.000 2.548 249 D HA 0.289 4.928 4.640 -0.001 0.000 0.214 249 D C -1.529 174.419 176.300 -0.587 0.000 1.345 249 D CA -0.256 53.476 54.000 -0.446 0.000 0.945 249 D CB 1.550 42.175 40.800 -0.292 0.000 1.499 249 D HN 0.509 nan 8.370 nan 0.000 0.579 250 F N 2.440 122.419 119.950 0.047 0.000 2.850 250 F HA 0.151 4.678 4.527 -0.001 0.000 0.306 250 F C 2.197 178.086 175.800 0.147 0.000 1.162 250 F CA -0.336 57.740 58.000 0.126 0.000 1.327 250 F CB 1.106 40.186 39.000 0.135 0.000 0.953 250 F HN 0.290 nan 8.300 nan 0.000 0.507 251 T N -0.822 113.804 114.554 0.120 0.000 2.929 251 T HA -0.143 4.207 4.350 -0.001 0.000 0.271 251 T C 0.829 175.464 174.700 -0.109 0.000 1.085 251 T CA 1.448 63.536 62.100 -0.021 0.000 1.125 251 T CB -0.257 68.495 68.868 -0.193 0.000 0.874 251 T HN 0.311 nan 8.240 nan 0.000 0.494 252 H N -0.019 119.054 119.070 0.004 0.000 2.716 252 H HA 0.515 5.071 4.556 -0.001 0.000 0.230 252 H C -0.711 174.560 175.328 -0.094 0.000 1.401 252 H CA -0.254 55.719 56.048 -0.124 0.000 1.168 252 H CB 0.353 29.956 29.762 -0.266 0.000 1.935 252 H HN 0.104 nan 8.280 nan 0.000 0.538 253 S N 0.091 115.909 115.700 0.195 0.000 2.541 253 S HA 0.412 4.882 4.470 -0.001 0.000 0.271 253 S C 0.516 175.211 174.600 0.157 0.000 1.133 253 S CA -0.636 57.682 58.200 0.198 0.000 0.876 253 S CB 1.890 65.293 63.200 0.337 0.000 1.105 253 S HN 0.478 nan 8.310 nan 0.000 0.470 254 R N 2.194 122.746 120.500 0.085 0.000 2.362 254 R HA 0.359 4.698 4.340 -0.001 0.000 0.227 254 R C 1.224 177.461 176.300 -0.106 0.000 0.905 254 R CA 0.090 56.192 56.100 0.003 0.000 1.067 254 R CB -0.079 30.223 30.300 0.004 0.000 1.078 254 R HN 0.602 nan 8.270 nan 0.000 0.516 255 L N 0.485 121.613 121.223 -0.157 0.000 2.265 255 L HA -0.165 4.175 4.340 -0.001 0.000 0.215 255 L C 2.262 178.769 176.870 -0.605 0.000 1.117 255 L CA 1.307 55.937 54.840 -0.350 0.000 0.782 255 L CB -0.323 41.513 42.059 -0.372 0.000 0.914 255 L HN 0.247 nan 8.230 nan 0.000 0.441 256 S N -0.893 114.412 115.700 -0.658 0.000 2.419 256 S HA -0.199 4.270 4.470 -0.001 0.000 0.235 256 S C 1.800 176.216 174.600 -0.307 0.000 1.019 256 S CA 1.220 59.053 58.200 -0.612 0.000 0.982 256 S CB -0.422 62.774 63.200 -0.007 0.000 0.789 256 S HN 0.476 nan 8.310 nan 0.000 0.490 257 N N 1.119 119.681 118.700 -0.231 0.000 2.216 257 N HA 0.036 4.776 4.740 -0.001 0.000 0.183 257 N C 1.718 177.109 175.510 -0.198 0.000 1.017 257 N CA 0.802 53.744 53.050 -0.179 0.000 0.861 257 N CB -0.392 38.014 38.487 -0.136 0.000 0.986 257 N HN 0.291 nan 8.380 nan 0.000 0.428 258 L N 1.850 122.928 121.223 -0.241 0.000 2.046 258 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 258 L C 1.961 178.681 176.870 -0.250 0.000 1.077 258 L CA 1.297 55.998 54.840 -0.231 0.000 0.747 258 L CB -1.023 40.881 42.059 -0.257 0.000 0.896 258 L HN 0.161 nan 8.230 nan 0.000 0.432 259 L N -0.371 120.651 121.223 -0.335 0.000 2.291 259 L HA 0.043 4.383 4.340 -0.001 0.000 0.214 259 L C 1.474 178.206 176.870 -0.231 0.000 1.120 259 L CA 0.735 55.389 54.840 -0.310 0.000 0.799 259 L CB -0.878 40.933 42.059 -0.413 0.000 0.925 259 L HN 0.531 nan 8.230 nan 0.000 0.446 260 G N 1.358 110.029 108.800 -0.215 0.000 2.212 260 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.255 260 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.255 260 G C -0.214 174.557 174.900 -0.216 0.000 1.062 260 G CA -0.110 44.894 45.100 -0.160 0.000 0.815 260 G HN 0.303 nan 8.290 nan 0.000 0.497 261 I N -0.220 120.189 120.570 -0.269 0.000 2.436 261 I HA 0.675 4.845 4.170 -0.001 0.000 0.289 261 I C 0.245 176.351 176.117 -0.018 0.000 1.010 261 I CA -0.900 60.219 61.300 -0.302 0.000 1.098 261 I CB 2.036 39.653 38.000 -0.638 0.000 1.266 261 I HN 0.205 nan 8.210 nan 0.000 0.434 262 R N 5.564 126.058 120.500 -0.010 0.000 2.604 262 R HA 0.421 4.761 4.340 -0.001 0.000 0.281 262 R C -1.181 175.007 176.300 -0.187 0.000 1.020 262 R CA -0.894 55.109 56.100 -0.162 0.000 0.899 262 R CB 1.923 32.148 30.300 -0.125 0.000 1.205 262 R HN 0.543 nan 8.270 nan 0.000 0.450 263 K N 2.803 122.901 120.400 -0.502 0.000 2.472 263 K HA -0.039 4.281 4.320 -0.001 0.000 0.280 263 K C 1.073 177.553 176.600 -0.199 0.000 1.028 263 K CA 0.311 56.369 56.287 -0.381 0.000 1.045 263 K CB 0.737 32.930 32.500 -0.513 0.000 0.902 263 K HN 0.485 nan 8.250 nan 0.000 0.478 264 R N 1.975 122.401 120.500 -0.124 0.000 2.189 264 R HA -0.142 4.198 4.340 -0.001 0.000 0.223 264 R C 0.232 176.495 176.300 -0.063 0.000 1.092 264 R CA 1.308 57.380 56.100 -0.046 0.000 0.989 264 R CB 0.242 30.551 30.300 0.016 0.000 0.876 264 R HN 0.587 nan 8.270 nan 0.000 0.457 265 Q N -0.411 119.318 119.800 -0.119 0.000 2.607 265 Q HA 0.294 4.634 4.340 -0.001 0.000 0.247 265 Q C -2.383 173.574 176.000 -0.072 0.000 1.033 265 Q CA -1.886 53.878 55.803 -0.065 0.000 0.769 265 Q CB 1.787 30.481 28.738 -0.073 0.000 1.169 265 Q HN -0.020 nan 8.270 nan 0.000 0.508 266 P HA 0.081 nan 4.420 nan 0.000 0.257 266 P C -0.158 177.039 177.300 -0.171 0.000 1.281 266 P CA 0.065 63.063 63.100 -0.170 0.000 0.826 266 P CB 0.025 31.584 31.700 -0.235 0.000 1.237 267 F N -0.387 119.506 119.950 -0.095 0.000 2.743 267 F HA 0.180 4.706 4.527 -0.001 0.000 0.297 267 F C 1.422 177.186 175.800 -0.061 0.000 1.131 267 F CA 0.146 58.108 58.000 -0.063 0.000 1.426 267 F CB -0.223 38.749 39.000 -0.046 0.000 1.116 267 F HN -0.120 nan 8.300 nan 0.000 0.583 268 Q N 2.123 121.965 119.800 0.069 0.000 2.359 268 Q HA -0.028 4.312 4.340 -0.001 0.000 0.249 268 Q C 0.194 176.184 176.000 -0.017 0.000 1.181 268 Q CA -0.029 55.778 55.803 0.006 0.000 0.897 268 Q CB -0.046 28.656 28.738 -0.059 0.000 1.424 268 Q HN 0.239 nan 8.270 nan 0.000 0.478 269 E N 3.005 123.207 120.200 0.004 0.000 2.498 269 E HA 0.170 4.519 4.350 -0.001 0.000 0.252 269 E C -0.469 176.123 176.600 -0.013 0.000 1.025 269 E CA 0.603 56.997 56.400 -0.010 0.000 0.938 269 E CB -0.097 29.604 29.700 0.000 0.000 0.947 269 E HN 0.778 nan 8.360 nan 0.000 0.478 270 G N 4.736 113.535 108.800 -0.002 0.000 2.491 270 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.508 270 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.508 270 G C -1.251 173.769 174.900 0.200 0.000 1.143 270 G CA -0.558 44.566 45.100 0.040 0.000 1.277 270 G HN 0.418 nan 8.290 nan 0.000 0.599 271 F N 4.881 124.860 119.950 0.049 0.000 2.291 271 F HA 0.710 5.236 4.527 -0.001 0.000 0.368 271 F C 0.482 176.366 175.800 0.139 0.000 1.085 271 F CA -1.674 56.422 58.000 0.161 0.000 1.165 271 F CB 0.574 39.677 39.000 0.172 0.000 1.429 271 F HN 0.602 nan 8.300 nan 0.000 0.503 272 R N 7.782 128.441 120.500 0.265 0.000 2.532 272 R HA 0.672 5.012 4.340 -0.001 0.000 0.297 272 R C -1.743 174.541 176.300 -0.027 0.000 0.984 272 R CA -0.778 55.308 56.100 -0.022 0.000 0.884 272 R CB 1.482 31.721 30.300 -0.102 0.000 1.182 272 R HN 0.657 nan 8.270 nan 0.000 0.442 273 I N 0.077 120.558 120.570 -0.149 0.000 2.433 273 I HA 0.565 4.734 4.170 -0.001 0.000 0.292 273 I C -0.850 175.230 176.117 -0.062 0.000 1.001 273 I CA -0.666 60.546 61.300 -0.147 0.000 1.119 273 I CB 2.342 40.261 38.000 -0.136 0.000 1.289 273 I HN 0.575 nan 8.210 nan 0.000 0.438 274 T N 2.728 117.238 114.554 -0.074 0.000 2.907 274 T HA 0.285 4.634 4.350 -0.001 0.000 0.290 274 T C 0.272 174.976 174.700 0.006 0.000 1.066 274 T CA -0.253 61.833 62.100 -0.023 0.000 1.012 274 T CB 1.262 70.136 68.868 0.010 0.000 1.184 274 T HN 0.613 nan 8.240 nan 0.000 0.522 275 Y N 1.465 121.682 120.300 -0.138 0.000 2.207 275 Y HA -0.123 4.427 4.550 -0.001 0.000 0.287 275 Y C 1.766 177.595 175.900 -0.118 0.000 1.156 275 Y CA 2.211 60.235 58.100 -0.127 0.000 1.182 275 Y CB -0.291 38.080 38.460 -0.149 0.000 0.979 275 Y HN 0.707 nan 8.280 nan 0.000 0.521 276 D N -0.258 120.096 120.400 -0.078 0.000 2.178 276 D HA -0.163 4.477 4.640 -0.001 0.000 0.201 276 D C 1.681 177.873 176.300 -0.180 0.000 0.980 276 D CA 1.629 55.528 54.000 -0.168 0.000 0.842 276 D CB -0.154 40.584 40.800 -0.105 0.000 0.948 276 D HN 0.452 nan 8.370 nan 0.000 0.472 277 D N -0.454 119.843 120.400 -0.171 0.000 2.249 277 D HA -0.018 4.622 4.640 -0.001 0.000 0.205 277 D C 1.384 177.593 176.300 -0.152 0.000 0.962 277 D CA 0.260 54.128 54.000 -0.221 0.000 0.860 277 D CB 0.258 40.837 40.800 -0.367 0.000 0.955 277 D HN 0.161 nan 8.370 nan 0.000 0.505 278 L N 1.387 122.547 121.223 -0.106 0.000 2.645 278 L HA 0.052 4.391 4.340 -0.001 0.000 0.235 278 L C 0.755 177.540 176.870 -0.141 0.000 1.150 278 L CA 0.369 55.171 54.840 -0.063 0.000 0.911 278 L CB -0.388 41.684 42.059 0.021 0.000 1.077 278 L HN -0.135 nan 8.230 nan 0.000 0.438 279 E N -0.328 119.759 120.200 -0.189 0.000 2.558 279 E HA 0.192 4.542 4.350 -0.001 0.000 0.255 279 E C 1.153 177.637 176.600 -0.193 0.000 0.968 279 E CA 0.907 57.174 56.400 -0.221 0.000 0.939 279 E CB 0.199 29.776 29.700 -0.205 0.000 0.921 279 E HN 0.402 nan 8.360 nan 0.000 0.477 280 G N 2.645 111.308 108.800 -0.228 0.000 2.253 280 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.209 280 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.209 280 G C 0.774 175.525 174.900 -0.250 0.000 0.997 280 G CA 0.177 45.143 45.100 -0.223 0.000 0.640 280 G HN 0.739 nan 8.290 nan 0.000 0.496 281 G N 0.551 109.213 108.800 -0.231 0.000 2.662 281 G HA2 0.215 4.175 3.960 -0.001 0.000 0.215 281 G HA3 0.215 4.175 3.960 -0.001 0.000 0.215 281 G C 0.686 175.430 174.900 -0.259 0.000 1.310 281 G CA 1.095 46.071 45.100 -0.207 0.000 0.849 281 G HN 1.226 nan 8.290 nan 0.000 0.568 282 N N 0.631 119.192 118.700 -0.231 0.000 2.608 282 N HA -0.148 4.591 4.740 -0.001 0.000 0.273 282 N C 0.509 175.913 175.510 -0.176 0.000 1.133 282 N CA 0.808 53.714 53.050 -0.241 0.000 0.726 282 N CB -1.423 36.778 38.487 -0.476 0.000 0.890 282 N HN 0.774 nan 8.380 nan 0.000 0.548 283 I N -0.664 119.817 120.570 -0.150 0.000 3.015 283 I HA 0.035 4.205 4.170 -0.001 0.000 0.309 283 I C -1.680 174.565 176.117 0.213 0.000 1.229 283 I CA -0.730 60.507 61.300 -0.104 0.000 1.430 283 I CB 0.192 37.901 38.000 -0.485 0.000 1.347 283 I HN 0.121 nan 8.210 nan 0.000 0.544 284 P HA 0.111 nan 4.420 nan 0.000 0.270 284 P C -0.208 177.396 177.300 0.506 0.000 1.223 284 P CA -0.214 63.205 63.100 0.532 0.000 0.785 284 P CB 0.616 32.607 31.700 0.486 0.000 0.923 285 A N 2.423 125.469 122.820 0.377 0.000 2.366 285 A HA 0.236 4.556 4.320 -0.001 0.000 0.249 285 A C 1.135 178.848 177.584 0.215 0.000 1.084 285 A CA -0.385 51.849 52.037 0.329 0.000 0.794 285 A CB -0.468 18.662 19.000 0.217 0.000 1.034 285 A HN 0.540 nan 8.150 nan 0.000 0.491 286 L N -0.443 120.874 121.223 0.156 0.000 2.483 286 L HA 0.372 4.712 4.340 -0.001 0.000 0.159 286 L C 0.092 176.934 176.870 -0.046 0.000 1.273 286 L CA 0.284 55.091 54.840 -0.056 0.000 2.526 286 L CB -0.112 41.920 42.059 -0.045 0.000 2.598 286 L HN 0.708 nan 8.230 nan 0.000 0.766 287 L N -0.578 120.602 121.223 -0.071 0.000 2.847 287 L HA 0.205 4.545 4.340 -0.001 0.000 0.261 287 L C -1.124 175.708 176.870 -0.063 0.000 0.926 287 L CA -0.460 54.337 54.840 -0.071 0.000 1.010 287 L CB 1.486 43.488 42.059 -0.096 0.000 1.538 287 L HN 0.293 nan 8.230 nan 0.000 0.465 288 D N 3.826 124.194 120.400 -0.052 0.000 2.383 288 D HA 0.044 4.683 4.640 -0.001 0.000 0.275 288 D C 1.391 177.691 176.300 -0.002 0.000 1.344 288 D CA 0.324 54.302 54.000 -0.037 0.000 0.984 288 D CB 1.264 42.046 40.800 -0.031 0.000 1.104 288 D HN 0.483 nan 8.370 nan 0.000 0.524 289 V N 3.935 123.847 119.914 -0.004 0.000 2.250 289 V HA -0.285 3.834 4.120 -0.001 0.000 0.250 289 V C 1.902 178.027 176.094 0.052 0.000 1.060 289 V CA 1.643 63.958 62.300 0.025 0.000 1.030 289 V CB -0.287 31.542 31.823 0.010 0.000 0.643 289 V HN 0.526 nan 8.190 nan 0.000 0.445 290 D N 0.590 121.004 120.400 0.024 0.000 2.224 290 D HA 0.026 4.666 4.640 -0.001 0.000 0.205 290 D C 1.660 177.973 176.300 0.021 0.000 0.965 290 D CA 1.372 55.381 54.000 0.015 0.000 0.852 290 D CB -0.073 40.727 40.800 -0.001 0.000 0.947 290 D HN 0.521 nan 8.370 nan 0.000 0.494 291 A N -0.441 122.399 122.820 0.034 0.000 2.648 291 A HA 0.131 4.451 4.320 -0.001 0.000 0.269 291 A C 0.575 178.233 177.584 0.122 0.000 1.392 291 A CA -0.031 52.032 52.037 0.044 0.000 1.019 291 A CB -0.458 18.555 19.000 0.022 0.000 1.009 291 A HN 0.308 nan 8.150 nan 0.000 0.565 292 Y N -2.520 117.761 120.300 -0.031 0.000 3.032 292 Y HA 0.065 4.615 4.550 -0.001 0.000 0.232 292 Y C 1.728 177.613 175.900 -0.025 0.000 1.107 292 Y CA 0.714 58.796 58.100 -0.030 0.000 1.355 292 Y CB 0.012 38.451 38.460 -0.035 0.000 1.413 292 Y HN 0.220 nan 8.280 nan 0.000 0.447 293 Q N 0.919 120.713 119.800 -0.009 0.000 2.083 293 Q HA 0.061 4.400 4.340 -0.001 0.000 0.198 293 Q C 1.788 177.727 176.000 -0.101 0.000 0.969 293 Q CA 1.562 57.315 55.803 -0.084 0.000 0.838 293 Q CB 0.063 28.825 28.738 0.040 0.000 0.900 293 Q HN 0.564 nan 8.270 nan 0.000 0.436 294 A N 0.048 122.834 122.820 -0.057 0.000 2.218 294 A HA 0.060 4.380 4.320 -0.001 0.000 0.209 294 A C 1.031 178.575 177.584 -0.067 0.000 1.168 294 A CA 0.321 52.326 52.037 -0.053 0.000 0.804 294 A CB 0.103 19.086 19.000 -0.028 0.000 0.834 294 A HN 0.164 nan 8.150 nan 0.000 0.482 295 S N 0.352 115.997 115.700 -0.092 0.000 2.423 295 S HA 0.605 5.075 4.470 -0.001 0.000 0.317 295 S C -0.152 174.353 174.600 -0.157 0.000 1.065 295 S CA -0.378 57.765 58.200 -0.095 0.000 1.111 295 S CB -1.001 62.164 63.200 -0.059 0.000 0.968 295 S HN 0.628 nan 8.310 nan 0.000 0.474 313 K N 0.659 121.084 120.400 0.041 0.000 2.345 313 K HA 0.684 5.003 4.320 -0.001 0.000 0.255 313 K C -1.955 174.702 176.600 0.095 0.000 0.934 313 K CA -1.195 55.152 56.287 0.100 0.000 0.801 313 K CB 2.001 34.591 32.500 0.150 0.000 1.137 313 K HN -0.247 nan 8.250 nan 0.000 0.424 314 P HA 0.034 nan 4.420 nan 0.000 0.254 314 P C 0.942 178.290 177.300 0.080 0.000 1.620 314 P CA -0.245 62.909 63.100 0.091 0.000 1.050 314 P CB 0.038 31.783 31.700 0.076 0.000 1.539 315 V N 0.062 120.009 119.914 0.056 0.000 2.252 315 V HA -0.315 3.804 4.120 -0.001 0.000 0.255 315 V C 2.003 178.031 176.094 -0.110 0.000 1.071 315 V CA 2.235 64.464 62.300 -0.118 0.000 1.050 315 V CB -2.148 29.557 31.823 -0.196 0.000 0.654 315 V HN 0.293 nan 8.190 nan 0.000 0.448 316 I N -0.778 119.748 120.570 -0.075 0.000 3.472 316 I HA 0.224 4.393 4.170 -0.001 0.000 0.313 316 I C 0.779 176.863 176.117 -0.055 0.000 1.173 316 I CA 0.453 61.707 61.300 -0.075 0.000 1.198 316 I CB -0.803 37.161 38.000 -0.060 0.000 0.992 316 I HN 0.163 nan 8.210 nan 0.000 0.538 317 K N 2.945 123.316 120.400 -0.049 0.000 2.334 317 K HA 0.532 4.852 4.320 -0.001 0.000 0.265 317 K C -2.678 173.896 176.600 -0.043 0.000 1.039 317 K CA -2.330 53.936 56.287 -0.035 0.000 0.920 317 K CB 0.965 33.455 32.500 -0.017 0.000 1.160 317 K HN -0.021 nan 8.250 nan 0.000 0.451 318 P HA -0.000 nan 4.420 nan 0.000 0.272 318 P C -0.809 176.460 177.300 -0.052 0.000 1.223 318 P CA -0.598 62.487 63.100 -0.026 0.000 0.784 318 P CB 0.499 32.201 31.700 0.004 0.000 0.923 319 L N 2.706 123.880 121.223 -0.082 0.000 2.391 319 L HA 0.088 4.427 4.340 -0.001 0.000 0.249 319 L C 1.698 178.394 176.870 -0.290 0.000 1.308 319 L CA 0.698 55.427 54.840 -0.185 0.000 1.209 319 L CB -1.753 40.171 42.059 -0.225 0.000 1.401 319 L HN 0.410 nan 8.230 nan 0.000 0.416 320 T N 0.841 115.303 114.554 -0.154 0.000 2.701 320 T HA -0.225 4.125 4.350 -0.001 0.000 0.265 320 T C 0.842 175.445 174.700 -0.161 0.000 1.032 320 T CA 2.271 64.307 62.100 -0.107 0.000 1.158 320 T CB 0.133 68.969 68.868 -0.053 0.000 0.854 320 T HN 0.704 nan 8.240 nan 0.000 0.463 321 E N -0.661 119.402 120.200 -0.228 0.000 2.428 321 E HA 0.573 4.922 4.350 -0.001 0.000 0.259 321 E C -1.362 175.052 176.600 -0.311 0.000 0.930 321 E CA -0.970 55.311 56.400 -0.198 0.000 0.823 321 E CB 1.289 30.936 29.700 -0.088 0.000 1.403 321 E HN 0.096 nan 8.360 nan 0.000 0.415 322 D N -0.841 119.470 120.400 -0.149 0.000 2.753 322 D HA 0.211 4.851 4.640 -0.001 0.000 0.224 322 D C 0.327 176.619 176.300 -0.013 0.000 1.213 322 D CA -0.317 53.626 54.000 -0.095 0.000 0.833 322 D CB 2.013 42.816 40.800 0.005 0.000 1.607 322 D HN 0.339 nan 8.370 nan 0.000 0.463 323 S N 1.711 117.406 115.700 -0.009 0.000 2.287 323 S HA -0.303 4.166 4.470 -0.001 0.000 0.522 323 S C 0.792 175.402 174.600 0.017 0.000 0.946 323 S CA 1.931 60.137 58.200 0.009 0.000 3.250 323 S CB -0.370 62.846 63.200 0.026 0.000 2.279 323 S HN 0.596 nan 8.310 nan 0.000 0.548 324 K N 1.660 122.081 120.400 0.035 0.000 3.226 324 K HA 0.207 4.526 4.320 -0.001 0.000 0.268 324 K C -0.244 176.380 176.600 0.041 0.000 1.217 324 K CA -0.039 56.272 56.287 0.040 0.000 1.242 324 K CB -0.055 32.477 32.500 0.054 0.000 1.389 324 K HN 0.444 nan 8.250 nan 0.000 0.406 325 K N 1.603 122.017 120.400 0.023 0.000 3.974 325 K HA -0.216 4.103 4.320 -0.001 0.000 0.280 325 K C -1.011 175.606 176.600 0.029 0.000 0.949 325 K CA 0.707 57.004 56.287 0.016 0.000 0.817 325 K CB -0.791 31.718 32.500 0.015 0.000 1.535 325 K HN 0.442 nan 8.250 nan 0.000 0.444 326 R N 0.665 121.189 120.500 0.040 0.000 2.388 326 R HA 0.239 4.578 4.340 -0.001 0.000 0.314 326 R C -0.132 176.235 176.300 0.111 0.000 0.959 326 R CA -0.736 55.406 56.100 0.070 0.000 0.851 326 R CB 1.490 31.842 30.300 0.087 0.000 1.168 326 R HN 0.238 nan 8.270 nan 0.000 0.472 327 S N 1.655 117.407 115.700 0.087 0.000 2.560 327 S HA 0.027 4.496 4.470 -0.001 0.000 0.284 327 S C 0.314 175.070 174.600 0.260 0.000 1.327 327 S CA -0.399 57.863 58.200 0.103 0.000 1.055 327 S CB 0.452 63.677 63.200 0.042 0.000 0.868 327 S HN 0.669 nan 8.310 nan 0.000 0.506 328 Y N 1.166 121.474 120.300 0.013 0.000 2.468 328 Y HA 0.139 4.689 4.550 -0.001 0.000 0.268 328 Y C 0.541 176.395 175.900 -0.077 0.000 1.177 328 Y CA -0.728 57.399 58.100 0.044 0.000 1.265 328 Y CB -0.155 38.374 38.460 0.114 0.000 1.103 328 Y HN 0.757 nan 8.280 nan 0.000 0.522 329 N N 0.803 119.520 118.700 0.027 0.000 2.714 329 N HA -0.212 4.528 4.740 -0.001 0.000 0.252 329 N C -0.942 174.555 175.510 -0.022 0.000 1.014 329 N CA 0.429 53.432 53.050 -0.078 0.000 0.735 329 N CB -1.924 36.404 38.487 -0.265 0.000 0.924 329 N HN 0.312 nan 8.380 nan 0.000 0.540 330 L N 0.109 121.369 121.223 0.061 0.000 2.456 330 L HA 0.148 4.487 4.340 -0.001 0.000 0.272 330 L C 2.400 179.307 176.870 0.062 0.000 1.189 330 L CA -0.347 54.547 54.840 0.090 0.000 0.846 330 L CB 0.314 42.434 42.059 0.102 0.000 1.111 330 L HN 0.064 nan 8.230 nan 0.000 0.475 331 I N -0.155 120.466 120.570 0.085 0.000 2.113 331 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 331 I C 1.262 177.410 176.117 0.051 0.000 1.057 331 I CA 1.886 63.230 61.300 0.074 0.000 1.314 331 I CB -0.371 37.694 38.000 0.109 0.000 1.022 331 I HN 0.881 nan 8.210 nan 0.000 0.408 332 S N -1.337 114.394 115.700 0.052 0.000 2.705 332 S HA 0.322 4.792 4.470 -0.001 0.000 0.280 332 S C 0.601 175.218 174.600 0.029 0.000 1.174 332 S CA -0.654 57.566 58.200 0.033 0.000 0.823 332 S CB 1.388 64.606 63.200 0.029 0.000 1.162 332 S HN 0.080 nan 8.310 nan 0.000 0.487 333 N N 1.658 120.368 118.700 0.017 0.000 2.309 333 N HA -0.056 4.684 4.740 -0.001 0.000 0.182 333 N C 1.100 176.611 175.510 0.003 0.000 1.018 333 N CA 0.835 53.890 53.050 0.009 0.000 0.876 333 N CB -0.336 38.152 38.487 0.002 0.000 0.972 333 N HN 0.633 nan 8.380 nan 0.000 0.434 334 D N 0.186 120.589 120.400 0.004 0.000 2.117 334 D HA -0.056 4.583 4.640 -0.001 0.000 0.198 334 D C 0.117 176.411 176.300 -0.011 0.000 0.982 334 D CA 0.519 54.517 54.000 -0.004 0.000 0.828 334 D CB 0.164 40.966 40.800 0.003 0.000 0.967 334 D HN 0.006 nan 8.370 nan 0.000 0.464 335 S N -0.724 114.983 115.700 0.012 0.000 2.562 335 S HA 0.039 4.508 4.470 -0.001 0.000 0.281 335 S C 1.227 175.810 174.600 -0.028 0.000 1.333 335 S CA 0.102 58.312 58.200 0.017 0.000 1.052 335 S CB 1.253 64.514 63.200 0.102 0.000 0.884 335 S HN 0.352 nan 8.310 nan 0.000 0.506 336 T N 2.560 117.016 114.554 -0.163 0.000 3.122 336 T HA 0.330 4.680 4.350 -0.001 0.000 0.250 336 T C 0.023 174.581 174.700 -0.236 0.000 1.067 336 T CA -0.147 61.806 62.100 -0.246 0.000 0.966 336 T CB -0.417 68.233 68.868 -0.362 0.000 1.002 336 T HN 0.400 nan 8.240 nan 0.000 0.542 337 F N 1.583 121.594 119.950 0.103 0.000 2.575 337 F HA 0.602 5.128 4.527 -0.001 0.000 0.330 337 F C 0.839 176.703 175.800 0.107 0.000 1.056 337 F CA -1.328 56.737 58.000 0.107 0.000 0.964 337 F CB 1.806 40.845 39.000 0.064 0.000 1.258 337 F HN -0.017 nan 8.300 nan 0.000 0.484 338 T N -1.898 112.862 114.554 0.342 0.000 2.944 338 T HA 0.233 4.583 4.350 -0.001 0.000 0.284 338 T C 0.280 175.060 174.700 0.133 0.000 1.010 338 T CA -0.644 61.583 62.100 0.211 0.000 1.025 338 T CB 1.585 70.587 68.868 0.223 0.000 1.079 338 T HN 0.709 nan 8.240 nan 0.000 0.516 339 Q N -0.131 119.689 119.800 0.034 0.000 2.482 339 Q HA 0.079 4.419 4.340 -0.001 0.000 0.209 339 Q C -0.496 175.529 176.000 0.041 0.000 0.961 339 Q CA 0.329 56.156 55.803 0.040 0.000 0.945 339 Q CB -0.109 28.615 28.738 -0.022 0.000 1.012 339 Q HN 0.678 nan 8.270 nan 0.000 0.515 340 Y N 0.732 121.018 120.300 -0.023 0.000 2.436 340 Y HA 0.155 4.705 4.550 -0.001 0.000 0.336 340 Y C 0.479 176.312 175.900 -0.111 0.000 1.049 340 Y CA -0.481 57.552 58.100 -0.113 0.000 1.294 340 Y CB 0.499 38.840 38.460 -0.198 0.000 1.179 340 Y HN -0.094 nan 8.280 nan 0.000 0.520 341 R N 1.830 122.405 120.500 0.124 0.000 2.532 341 R HA 0.421 4.760 4.340 -0.001 0.000 0.295 341 R C -0.906 175.361 176.300 -0.054 0.000 0.968 341 R CA -0.484 55.645 56.100 0.047 0.000 0.916 341 R CB 1.524 31.951 30.300 0.211 0.000 1.124 341 R HN 0.582 nan 8.270 nan 0.000 0.463 342 S N 2.989 118.621 115.700 -0.114 0.000 2.519 342 S HA 0.142 4.611 4.470 -0.001 0.000 0.309 342 S C 0.280 174.892 174.600 0.019 0.000 1.100 342 S CA -0.805 57.347 58.200 -0.080 0.000 1.059 342 S CB 0.605 63.666 63.200 -0.232 0.000 1.008 342 S HN 0.785 nan 8.310 nan 0.000 0.478 343 W N 5.312 126.647 121.300 0.058 0.000 2.335 343 W HA -0.186 4.473 4.660 -0.001 0.000 0.311 343 W C 1.572 178.213 176.519 0.204 0.000 1.213 343 W CA 1.822 59.243 57.345 0.128 0.000 1.274 343 W CB -0.661 28.891 29.460 0.153 0.000 1.148 343 W HN 0.976 nan 8.180 nan 0.000 0.498 344 Y N 0.414 120.661 120.300 -0.088 0.000 2.224 344 Y HA -0.233 4.317 4.550 -0.001 0.000 0.289 344 Y C 2.239 178.011 175.900 -0.213 0.000 1.146 344 Y CA 2.395 60.406 58.100 -0.148 0.000 1.182 344 Y CB -0.615 37.928 38.460 0.138 0.000 0.983 344 Y HN -0.081 nan 8.280 nan 0.000 0.524 345 L N -1.000 120.151 121.223 -0.120 0.000 2.179 345 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 345 L C 2.646 179.388 176.870 -0.213 0.000 1.096 345 L CA 0.979 55.755 54.840 -0.107 0.000 0.779 345 L CB -1.162 40.904 42.059 0.012 0.000 0.922 345 L HN 0.281 nan 8.230 nan 0.000 0.443 346 A N -0.444 122.205 122.820 -0.284 0.000 1.897 346 A HA -0.251 4.069 4.320 -0.001 0.000 0.215 346 A C 2.172 179.510 177.584 -0.411 0.000 1.181 346 A CA 1.088 52.944 52.037 -0.301 0.000 0.620 346 A CB -0.752 18.093 19.000 -0.258 0.000 0.821 346 A HN 0.401 nan 8.150 nan 0.000 0.443 347 Y N 0.842 120.725 120.300 -0.694 0.000 2.293 347 Y HA -0.120 4.430 4.550 -0.001 0.000 0.291 347 Y C 2.131 177.731 175.900 -0.500 0.000 1.137 347 Y CA 1.938 59.639 58.100 -0.665 0.000 1.202 347 Y CB 0.087 37.857 38.460 -1.149 0.000 0.990 347 Y HN 0.335 nan 8.280 nan 0.000 0.537 348 N N -2.068 116.270 118.700 -0.604 0.000 2.508 348 N HA -0.035 4.705 4.740 -0.001 0.000 0.186 348 N C 0.945 176.119 175.510 -0.561 0.000 1.034 348 N CA 1.093 53.729 53.050 -0.689 0.000 0.885 348 N CB -0.256 37.576 38.487 -1.091 0.000 1.135 348 N HN 0.395 nan 8.380 nan 0.000 0.435 349 Y N 0.714 120.837 120.300 -0.295 0.000 2.442 349 Y HA 0.358 4.907 4.550 -0.001 0.000 0.250 349 Y C 1.722 177.495 175.900 -0.212 0.000 1.113 349 Y CA -0.542 57.420 58.100 -0.229 0.000 1.273 349 Y CB 0.450 38.775 38.460 -0.226 0.000 1.138 349 Y HN -0.081 nan 8.280 nan 0.000 0.522 350 G N -0.042 108.693 108.800 -0.107 0.000 2.588 350 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.278 350 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.278 350 G C -0.725 174.100 174.900 -0.125 0.000 1.307 350 G CA -0.439 44.581 45.100 -0.133 0.000 1.016 350 G HN 0.046 nan 8.290 nan 0.000 0.503 351 D N 0.686 121.020 120.400 -0.110 0.000 2.382 351 D HA 0.088 4.728 4.640 -0.001 0.000 0.259 351 D C -0.963 175.271 176.300 -0.110 0.000 1.224 351 D CA -1.124 52.822 54.000 -0.090 0.000 0.894 351 D CB 1.735 42.495 40.800 -0.066 0.000 1.127 351 D HN 0.026 nan 8.370 nan 0.000 0.487 352 P HA -0.107 nan 4.420 nan 0.000 0.228 352 P C 0.742 177.987 177.300 -0.092 0.000 1.151 352 P CA 1.000 64.014 63.100 -0.143 0.000 0.770 352 P CB 0.587 32.212 31.700 -0.125 0.000 0.786 353 Q N -1.595 118.171 119.800 -0.057 0.000 2.391 353 Q HA 0.077 4.416 4.340 -0.001 0.000 0.243 353 Q C 1.897 177.893 176.000 -0.006 0.000 0.874 353 Q CA 0.999 56.787 55.803 -0.026 0.000 0.950 353 Q CB -0.029 28.698 28.738 -0.019 0.000 1.103 353 Q HN 0.140 nan 8.270 nan 0.000 0.544 354 T N -0.928 113.616 114.554 -0.018 0.000 2.976 354 T HA 0.201 4.551 4.350 -0.001 0.000 0.257 354 T C 0.813 175.518 174.700 0.010 0.000 1.051 354 T CA 0.734 62.831 62.100 -0.005 0.000 1.141 354 T CB 0.138 68.992 68.868 -0.024 0.000 0.881 354 T HN 0.314 nan 8.240 nan 0.000 0.461 355 G N -0.030 108.763 108.800 -0.011 0.000 3.107 355 G HA2 0.579 4.538 3.960 -0.001 0.000 0.232 355 G HA3 0.579 4.538 3.960 -0.001 0.000 0.232 355 G C 0.582 175.513 174.900 0.052 0.000 1.339 355 G CA -0.845 44.255 45.100 -0.000 0.000 1.033 355 G HN 0.194 nan 8.290 nan 0.000 0.567 356 I N -0.120 120.488 120.570 0.064 0.000 2.730 356 I HA -0.192 3.978 4.170 -0.001 0.000 0.266 356 I C 2.772 179.034 176.117 0.243 0.000 1.228 356 I CA 0.922 62.358 61.300 0.228 0.000 1.445 356 I CB 0.118 38.263 38.000 0.240 0.000 1.102 356 I HN 0.477 nan 8.210 nan 0.000 0.464 357 R N -0.458 119.991 120.500 -0.085 0.000 2.148 357 R HA -0.160 4.180 4.340 -0.001 0.000 0.227 357 R C 2.358 178.653 176.300 -0.009 0.000 1.103 357 R CA 1.538 57.437 56.100 -0.334 0.000 0.983 357 R CB -0.072 29.830 30.300 -0.663 0.000 0.874 357 R HN 0.260 nan 8.270 nan 0.000 0.451 358 S N -0.371 115.375 115.700 0.077 0.000 2.406 358 S HA -0.091 4.379 4.470 -0.001 0.000 0.224 358 S C 1.454 176.165 174.600 0.185 0.000 1.030 358 S CA 0.324 58.590 58.200 0.110 0.000 0.958 358 S CB -0.272 62.983 63.200 0.091 0.000 0.811 358 S HN 0.598 nan 8.310 nan 0.000 0.489 359 W N 1.911 123.289 121.300 0.130 0.000 2.402 359 W HA 0.115 4.775 4.660 -0.001 0.000 0.286 359 W C 0.893 177.549 176.519 0.229 0.000 1.221 359 W CA 1.420 58.870 57.345 0.175 0.000 1.257 359 W CB -0.461 29.123 29.460 0.207 0.000 1.120 359 W HN 0.305 nan 8.180 nan 0.000 0.551 360 T N -0.483 114.354 114.554 0.471 0.000 2.654 360 T HA 0.530 4.879 4.350 -0.001 0.000 0.289 360 T C -1.825 173.200 174.700 0.542 0.000 1.062 360 T CA -0.604 61.796 62.100 0.499 0.000 1.041 360 T CB 1.193 70.562 68.868 0.835 0.000 1.417 360 T HN -0.172 nan 8.240 nan 0.000 0.510 361 L N 1.766 123.225 121.223 0.392 0.000 2.455 361 L HA 0.734 5.074 4.340 -0.001 0.000 0.264 361 L C -1.701 175.138 176.870 -0.052 0.000 0.968 361 L CA -0.793 54.184 54.840 0.229 0.000 0.827 361 L CB 1.903 44.046 42.059 0.141 0.000 1.317 361 L HN 0.567 nan 8.230 nan 0.000 0.407 362 L N 4.884 125.916 121.223 -0.319 0.000 2.295 362 L HA 0.489 4.829 4.340 -0.001 0.000 0.288 362 L C -0.749 176.099 176.870 -0.036 0.000 1.079 362 L CA 0.196 54.894 54.840 -0.237 0.000 0.830 362 L CB -0.276 41.581 42.059 -0.338 0.000 1.200 362 L HN 0.755 nan 8.230 nan 0.000 0.438 363 C N 1.342 120.624 119.300 -0.029 0.000 2.595 363 C HA 0.750 5.210 4.460 -0.001 0.000 0.338 363 C C 0.663 175.643 174.990 -0.017 0.000 1.219 363 C CA -0.889 58.117 59.018 -0.019 0.000 1.811 363 C CB 1.380 29.094 27.740 -0.042 0.000 2.313 363 C HN 0.823 nan 8.230 nan 0.000 0.499 364 T N 0.567 115.108 114.554 -0.023 0.000 2.926 364 T HA 0.303 4.652 4.350 -0.001 0.000 0.307 364 T C -2.383 172.280 174.700 -0.061 0.000 1.059 364 T CA -0.709 61.369 62.100 -0.037 0.000 1.122 364 T CB -0.191 68.643 68.868 -0.056 0.000 0.972 364 T HN 0.646 nan 8.240 nan 0.000 0.545 365 P HA 0.109 nan 4.420 nan 0.000 0.261 365 P C -0.764 176.479 177.300 -0.095 0.000 1.183 365 P CA 0.161 63.205 63.100 -0.093 0.000 0.761 365 P CB 0.274 31.923 31.700 -0.085 0.000 0.785 366 D N 2.574 122.912 120.400 -0.103 0.000 2.412 366 D HA 0.065 4.705 4.640 -0.001 0.000 0.224 366 D C 0.971 177.213 176.300 -0.097 0.000 1.093 366 D CA -0.524 53.420 54.000 -0.093 0.000 0.850 366 D CB 0.842 41.590 40.800 -0.086 0.000 1.046 366 D HN -0.043 nan 8.370 nan 0.000 0.507 367 V N 3.450 123.312 119.914 -0.087 0.000 3.078 367 V HA -0.136 3.983 4.120 -0.001 0.000 0.265 367 V C 1.403 177.459 176.094 -0.062 0.000 1.122 367 V CA 2.168 64.424 62.300 -0.074 0.000 1.141 367 V CB -0.367 31.420 31.823 -0.060 0.000 0.735 367 V HN 0.740 nan 8.190 nan 0.000 0.498 368 T N -2.307 112.208 114.554 -0.066 0.000 3.031 368 T HA -0.012 4.337 4.350 -0.001 0.000 0.254 368 T C 1.256 175.906 174.700 -0.082 0.000 1.060 368 T CA 0.868 62.929 62.100 -0.064 0.000 1.135 368 T CB -0.176 68.664 68.868 -0.047 0.000 0.896 368 T HN 0.577 nan 8.240 nan 0.000 0.472 369 C N 0.080 119.328 119.300 -0.087 0.000 5.277 369 C HA -0.054 4.406 4.460 -0.001 0.000 0.225 369 C C 1.892 176.829 174.990 -0.089 0.000 1.237 369 C CA 0.289 59.249 59.018 -0.097 0.000 1.297 369 C CB -1.891 25.790 27.740 -0.099 0.000 1.947 369 C HN 0.806 nan 8.230 nan 0.000 0.642 370 G N -0.897 107.854 108.800 -0.082 0.000 4.242 370 G HA2 0.428 4.388 3.960 -0.001 0.000 0.159 370 G HA3 0.428 4.388 3.960 -0.001 0.000 0.159 370 G C 0.348 175.208 174.900 -0.067 0.000 0.921 370 G CA 0.884 45.936 45.100 -0.080 0.000 0.910 370 G HN 1.982 nan 8.290 nan 0.000 0.419 371 S N 0.802 116.467 115.700 -0.060 0.000 3.292 371 S HA -0.211 4.259 4.470 -0.001 0.000 0.360 371 S C -0.098 174.475 174.600 -0.045 0.000 0.930 371 S CA 1.453 59.627 58.200 -0.043 0.000 1.317 371 S CB -1.877 61.309 63.200 -0.024 0.000 0.920 371 S HN 0.718 nan 8.310 nan 0.000 0.540 372 E N 1.913 122.075 120.200 -0.064 0.000 2.349 372 E HA 0.230 4.580 4.350 -0.001 0.000 0.265 372 E C 0.843 177.401 176.600 -0.071 0.000 1.064 372 E CA -0.749 55.608 56.400 -0.072 0.000 0.886 372 E CB 0.423 30.061 29.700 -0.102 0.000 1.036 372 E HN 0.765 nan 8.360 nan 0.000 0.413 373 Q N 1.166 120.917 119.800 -0.082 0.000 2.260 373 Q HA 0.324 4.663 4.340 -0.001 0.000 0.242 373 Q C -0.339 175.526 176.000 -0.224 0.000 0.932 373 Q CA -0.634 55.119 55.803 -0.083 0.000 0.891 373 Q CB 1.216 29.960 28.738 0.009 0.000 1.222 373 Q HN 0.303 nan 8.270 nan 0.000 0.453 374 V N -0.149 119.667 119.914 -0.162 0.000 2.975 374 V HA 0.673 4.792 4.120 -0.001 0.000 0.318 374 V C -1.028 174.998 176.094 -0.113 0.000 1.077 374 V CA -1.044 61.112 62.300 -0.241 0.000 1.000 374 V CB 0.927 32.643 31.823 -0.178 0.000 1.066 374 V HN 0.740 nan 8.190 nan 0.000 0.452 375 Y N -1.085 119.190 120.300 -0.042 0.000 2.442 375 Y HA 0.662 5.212 4.550 -0.001 0.000 0.344 375 Y C -0.834 175.045 175.900 -0.035 0.000 0.976 375 Y CA -1.203 56.917 58.100 0.033 0.000 1.040 375 Y CB 1.114 39.638 38.460 0.106 0.000 1.228 375 Y HN 0.699 nan 8.280 nan 0.000 0.451 376 W N 1.521 122.939 121.300 0.197 0.000 2.316 376 W HA 0.658 5.318 4.660 -0.001 0.000 0.321 376 W C -0.489 176.016 176.519 -0.022 0.000 1.203 376 W CA -0.327 57.046 57.345 0.047 0.000 1.214 376 W CB 1.448 30.899 29.460 -0.016 0.000 1.169 376 W HN 0.369 nan 8.180 nan 0.000 0.561 377 S N 3.075 118.861 115.700 0.145 0.000 2.672 377 S HA 0.501 4.970 4.470 -0.001 0.000 0.291 377 S C -0.531 173.958 174.600 -0.185 0.000 1.145 377 S CA -0.814 57.336 58.200 -0.083 0.000 1.013 377 S CB 0.878 63.985 63.200 -0.156 0.000 1.017 377 S HN 0.488 nan 8.310 nan 0.000 0.487 378 L N 3.341 124.437 121.223 -0.211 0.000 3.209 378 L HA 0.279 4.619 4.340 -0.001 0.000 0.279 378 L C -1.622 175.102 176.870 -0.244 0.000 1.301 378 L CA -1.392 53.325 54.840 -0.206 0.000 1.004 378 L CB 0.971 42.949 42.059 -0.135 0.000 1.402 378 L HN 0.446 nan 8.230 nan 0.000 0.577 379 P HA -0.055 nan 4.420 nan 0.000 0.239 379 P C 0.063 177.250 177.300 -0.188 0.000 1.184 379 P CA 0.753 63.663 63.100 -0.316 0.000 0.760 379 P CB 0.131 31.503 31.700 -0.547 0.000 0.884 380 D N -1.858 118.446 120.400 -0.160 0.000 2.363 380 D HA 0.183 4.822 4.640 -0.001 0.000 0.214 380 D C 1.537 177.796 176.300 -0.069 0.000 1.093 380 D CA 0.306 54.257 54.000 -0.081 0.000 0.837 380 D CB 0.228 40.995 40.800 -0.053 0.000 0.948 380 D HN 0.166 nan 8.370 nan 0.000 0.507 381 M N -0.814 118.734 119.600 -0.086 0.000 2.893 381 M HA 0.256 4.736 4.480 -0.001 0.000 0.201 381 M C -0.778 175.485 176.300 -0.061 0.000 1.926 381 M CA 0.038 55.296 55.300 -0.071 0.000 1.302 381 M CB 0.578 33.130 32.600 -0.080 0.000 1.249 381 M HN -0.202 nan 8.290 nan 0.000 0.599 382 M N 2.580 122.134 119.600 -0.078 0.000 2.249 382 M HA 0.079 4.559 4.480 -0.001 0.000 0.340 382 M C -0.414 175.854 176.300 -0.054 0.000 1.166 382 M CA 0.537 55.799 55.300 -0.064 0.000 1.115 382 M CB 0.168 32.717 32.600 -0.087 0.000 1.606 382 M HN 0.246 nan 8.290 nan 0.000 0.448 383 Q N 2.685 122.472 119.800 -0.022 0.000 2.276 383 Q HA 0.050 4.390 4.340 -0.001 0.000 0.267 383 Q C -0.579 175.401 176.000 -0.033 0.000 1.135 383 Q CA -0.366 55.434 55.803 -0.005 0.000 0.910 383 Q CB -0.308 28.452 28.738 0.036 0.000 1.271 383 Q HN 0.576 nan 8.270 nan 0.000 0.417 384 D N 4.214 124.583 120.400 -0.051 0.000 2.661 384 D HA -0.043 4.597 4.640 -0.001 0.000 0.244 384 D C -2.028 174.255 176.300 -0.027 0.000 1.196 384 D CA -0.779 53.169 54.000 -0.086 0.000 0.881 384 D CB -0.145 40.630 40.800 -0.042 0.000 1.141 384 D HN 0.203 nan 8.370 nan 0.000 0.530 385 P HA -0.043 nan 4.420 nan 0.000 0.272 385 P C 0.116 177.539 177.300 0.205 0.000 1.243 385 P CA -0.549 62.592 63.100 0.068 0.000 0.803 385 P CB 0.159 31.905 31.700 0.077 0.000 0.974 386 V N -2.794 117.225 119.914 0.175 0.000 2.694 386 V HA 0.172 4.291 4.120 -0.001 0.000 0.306 386 V C 1.463 177.654 176.094 0.162 0.000 1.054 386 V CA 0.734 63.114 62.300 0.133 0.000 1.161 386 V CB -0.787 31.080 31.823 0.074 0.000 0.916 386 V HN 1.083 nan 8.190 nan 0.000 0.490 387 T N 0.854 115.467 114.554 0.097 0.000 9.815 387 T HA -0.274 4.075 4.350 -0.001 0.000 0.346 387 T C -0.129 174.620 174.700 0.083 0.000 1.898 387 T CA 1.106 63.225 62.100 0.030 0.000 3.039 387 T CB -2.536 66.275 68.868 -0.095 0.000 2.233 387 T HN 0.939 nan 8.240 nan 0.000 0.906 388 F N 3.964 123.919 119.950 0.007 0.000 2.472 388 F HA 0.564 5.091 4.527 -0.001 0.000 0.364 388 F C 1.351 177.168 175.800 0.029 0.000 1.090 388 F CA -0.929 57.081 58.000 0.016 0.000 1.188 388 F CB 0.601 39.610 39.000 0.014 0.000 1.105 388 F HN 0.087 nan 8.300 nan 0.000 0.536 389 R N 1.643 122.286 120.500 0.237 0.000 2.585 389 R HA -0.010 4.329 4.340 -0.001 0.000 0.275 389 R C 0.188 176.584 176.300 0.159 0.000 1.018 389 R CA -0.124 56.068 56.100 0.153 0.000 1.072 389 R CB 0.730 31.098 30.300 0.113 0.000 0.953 389 R HN 0.534 nan 8.270 nan 0.000 0.419 390 S N 1.789 117.560 115.700 0.117 0.000 2.411 390 S HA 0.180 4.650 4.470 -0.001 0.000 0.304 390 S C -0.028 174.641 174.600 0.114 0.000 1.098 390 S CA -0.224 58.043 58.200 0.111 0.000 1.068 390 S CB 0.345 63.593 63.200 0.080 0.000 1.032 390 S HN 0.569 nan 8.310 nan 0.000 0.511 391 T N 2.252 116.901 114.554 0.158 0.000 2.858 391 T HA 0.618 4.968 4.350 -0.001 0.000 0.285 391 T C 0.268 175.040 174.700 0.119 0.000 1.052 391 T CA -0.401 61.765 62.100 0.111 0.000 1.009 391 T CB 1.413 70.324 68.868 0.071 0.000 1.241 391 T HN 0.573 nan 8.240 nan 0.000 0.542 392 S N 0.276 115.963 115.700 -0.022 0.000 2.937 392 S HA 0.312 4.781 4.470 -0.001 0.000 0.252 392 S C 0.138 174.545 174.600 -0.322 0.000 1.022 392 S CA -0.472 57.657 58.200 -0.118 0.000 1.079 392 S CB 0.084 63.270 63.200 -0.023 0.000 1.035 392 S HN 0.650 nan 8.310 nan 0.000 0.594 393 Q N 1.363 120.963 119.800 -0.333 0.000 2.349 393 Q HA 0.411 4.751 4.340 -0.001 0.000 0.254 393 Q C 0.304 175.954 176.000 -0.585 0.000 0.980 393 Q CA -0.343 55.266 55.803 -0.323 0.000 0.924 393 Q CB 0.402 29.047 28.738 -0.154 0.000 1.209 393 Q HN 0.438 nan 8.270 nan 0.000 0.445 394 I N 1.520 121.732 120.570 -0.596 0.000 3.102 394 I HA -0.236 3.933 4.170 -0.001 0.000 0.278 394 I C 1.188 177.180 176.117 -0.208 0.000 1.316 394 I CA 0.894 61.833 61.300 -0.602 0.000 1.425 394 I CB -0.076 37.748 38.000 -0.292 0.000 1.073 394 I HN 0.410 nan 8.210 nan 0.000 0.503 395 S N -0.931 114.674 115.700 -0.159 0.000 2.539 395 S HA 0.146 4.615 4.470 -0.001 0.000 0.221 395 S C 1.217 175.845 174.600 0.047 0.000 0.987 395 S CA -0.320 57.865 58.200 -0.025 0.000 0.929 395 S CB -0.040 63.139 63.200 -0.034 0.000 0.832 395 S HN 0.533 nan 8.310 nan 0.000 0.492 396 N N 0.357 119.082 118.700 0.042 0.000 2.232 396 N HA 0.228 4.968 4.740 -0.001 0.000 0.240 396 N C -1.242 174.430 175.510 0.271 0.000 1.307 396 N CA -0.146 52.990 53.050 0.142 0.000 0.859 396 N CB 0.393 38.936 38.487 0.093 0.000 1.260 396 N HN 0.109 nan 8.380 nan 0.000 0.501 397 F N 3.752 123.745 119.950 0.072 0.000 2.590 397 F HA 0.142 4.668 4.527 -0.001 0.000 0.389 397 F C -1.373 174.433 175.800 0.010 0.000 1.049 397 F CA -1.550 56.471 58.000 0.035 0.000 1.199 397 F CB -0.089 38.919 39.000 0.012 0.000 1.058 397 F HN 0.079 nan 8.300 nan 0.000 0.556 398 P HA -0.090 nan 4.420 nan 0.000 0.264 398 P C -0.491 176.488 177.300 -0.535 0.000 1.173 398 P CA 0.212 63.082 63.100 -0.383 0.000 0.761 398 P CB 0.601 32.111 31.700 -0.317 0.000 0.794 399 V N 4.108 123.401 119.914 -1.036 0.000 2.394 399 V HA 0.093 4.213 4.120 -0.001 0.000 0.282 399 V C 1.564 177.424 176.094 -0.389 0.000 1.031 399 V CA -0.173 61.838 62.300 -0.481 0.000 0.881 399 V CB 1.539 33.197 31.823 -0.276 0.000 0.982 399 V HN 0.539 nan 8.190 nan 0.000 0.451 400 V N 1.910 121.746 119.914 -0.131 0.000 3.565 400 V HA 0.714 4.834 4.120 -0.001 0.000 0.260 400 V C 0.647 176.783 176.094 0.070 0.000 1.231 400 V CA 0.997 63.258 62.300 -0.064 0.000 1.100 400 V CB 0.183 31.970 31.823 -0.061 0.000 0.807 400 V HN 0.976 nan 8.190 nan 0.000 0.454 401 G N -0.859 108.064 108.800 0.206 0.000 2.579 401 G HA2 0.711 4.670 3.960 -0.001 0.000 0.292 401 G HA3 0.711 4.670 3.960 -0.001 0.000 0.292 401 G C -1.464 173.735 174.900 0.498 0.000 1.484 401 G CA -0.157 45.161 45.100 0.363 0.000 0.813 401 G HN 1.079 nan 8.290 nan 0.000 0.515 402 A N 0.760 123.787 122.820 0.344 0.000 2.385 402 A HA 0.822 5.141 4.320 -0.001 0.000 0.290 402 A C -0.421 177.330 177.584 0.278 0.000 1.094 402 A CA -0.433 51.846 52.037 0.403 0.000 0.729 402 A CB 1.631 20.870 19.000 0.398 0.000 1.194 402 A HN 0.695 nan 8.150 nan 0.000 0.442 403 E N 1.106 121.516 120.200 0.350 0.000 2.254 403 E HA 0.577 4.926 4.350 -0.001 0.000 0.261 403 E C -0.910 175.774 176.600 0.140 0.000 1.051 403 E CA -0.716 55.839 56.400 0.260 0.000 0.902 403 E CB 1.121 31.046 29.700 0.375 0.000 1.168 403 E HN 0.582 nan 8.360 nan 0.000 0.423 404 L N 3.037 124.319 121.223 0.099 0.000 2.305 404 L HA 0.267 4.606 4.340 -0.001 0.000 0.281 404 L C -0.860 176.036 176.870 0.043 0.000 1.085 404 L CA -0.251 54.620 54.840 0.052 0.000 0.813 404 L CB 0.974 43.055 42.059 0.037 0.000 1.157 404 L HN 0.540 nan 8.230 nan 0.000 0.436 405 L N 8.471 129.698 121.223 0.007 0.000 2.628 405 L HA 0.215 4.555 4.340 -0.001 0.000 0.274 405 L C -1.908 174.968 176.870 0.009 0.000 1.209 405 L CA -0.400 54.439 54.840 -0.001 0.000 0.930 405 L CB -0.054 41.986 42.059 -0.031 0.000 1.183 405 L HN 0.544 nan 8.230 nan 0.000 0.492 406 P HA 0.157 nan 4.420 nan 0.000 0.244 406 P C -1.456 175.857 177.300 0.021 0.000 1.769 406 P CA 0.003 63.123 63.100 0.033 0.000 1.102 406 P CB -0.047 31.696 31.700 0.071 0.000 1.937 407 V N 1.154 121.084 119.914 0.027 0.000 2.711 407 V HA 0.614 4.733 4.120 -0.001 0.000 0.304 407 V C -0.570 175.604 176.094 0.133 0.000 1.097 407 V CA -0.793 61.547 62.300 0.067 0.000 0.906 407 V CB 1.902 33.723 31.823 -0.003 0.000 1.015 407 V HN 0.579 nan 8.190 nan 0.000 0.427 408 H N 1.959 121.018 119.070 -0.019 0.000 2.864 408 H HA 0.788 5.344 4.556 -0.001 0.000 0.354 408 H C -0.325 174.983 175.328 -0.034 0.000 1.208 408 H CA -0.504 55.528 56.048 -0.028 0.000 1.191 408 H CB 1.737 31.485 29.762 -0.024 0.000 1.889 408 H HN 0.860 nan 8.280 nan 0.000 0.574 409 S N 0.917 116.533 115.700 -0.139 0.000 2.465 409 S HA 0.347 4.817 4.470 -0.001 0.000 0.279 409 S C -0.081 174.236 174.600 -0.471 0.000 1.201 409 S CA -0.859 57.190 58.200 -0.253 0.000 1.053 409 S CB 0.688 63.796 63.200 -0.153 0.000 0.953 409 S HN 0.550 nan 8.310 nan 0.000 0.488 410 K N 3.000 123.092 120.400 -0.513 0.000 2.316 410 K HA 0.395 4.715 4.320 -0.001 0.000 0.267 410 K C -0.328 175.812 176.600 -0.767 0.000 1.025 410 K CA -0.300 55.629 56.287 -0.598 0.000 0.896 410 K CB 1.088 33.261 32.500 -0.545 0.000 1.124 410 K HN 0.790 nan 8.250 nan 0.000 0.451 411 S N 3.026 118.322 115.700 -0.673 0.000 2.585 411 S HA 0.647 5.116 4.470 -0.001 0.000 0.277 411 S C -0.349 173.771 174.600 -0.800 0.000 1.241 411 S CA -0.662 57.188 58.200 -0.584 0.000 1.041 411 S CB 0.435 63.458 63.200 -0.295 0.000 0.987 411 S HN 0.349 nan 8.310 nan 0.000 0.512 412 F N -0.237 119.699 119.950 -0.023 0.000 2.664 412 F HA 0.571 5.098 4.527 -0.001 0.000 0.329 412 F C -0.574 175.289 175.800 0.105 0.000 1.090 412 F CA -1.307 56.704 58.000 0.018 0.000 0.978 412 F CB 1.060 40.059 39.000 -0.003 0.000 1.378 412 F HN 0.588 nan 8.300 nan 0.000 0.495 413 Y N 1.359 121.755 120.300 0.160 0.000 2.446 413 Y HA 0.544 5.094 4.550 -0.001 0.000 0.338 413 Y C -0.898 175.036 175.900 0.056 0.000 1.055 413 Y CA -1.361 56.779 58.100 0.068 0.000 1.101 413 Y CB 1.777 40.256 38.460 0.032 0.000 1.221 413 Y HN 0.629 nan 8.280 nan 0.000 0.460 414 N N 3.118 121.671 118.700 -0.246 0.000 2.697 414 N HA 0.141 4.881 4.740 -0.001 0.000 0.271 414 N C -1.096 174.138 175.510 -0.461 0.000 1.149 414 N CA -0.246 52.655 53.050 -0.249 0.000 0.939 414 N CB 0.940 39.353 38.487 -0.123 0.000 1.534 414 N HN 0.605 nan 8.380 nan 0.000 0.556 415 D N 1.635 121.794 120.400 -0.403 0.000 2.349 415 D HA 0.038 4.678 4.640 -0.001 0.000 0.215 415 D C 0.493 176.583 176.300 -0.350 0.000 1.016 415 D CA 0.633 54.406 54.000 -0.378 0.000 0.870 415 D CB 0.485 41.136 40.800 -0.248 0.000 0.917 415 D HN 0.653 nan 8.370 nan 0.000 0.524 416 Q N -0.252 119.413 119.800 -0.225 0.000 2.491 416 Q HA 0.072 4.411 4.340 -0.001 0.000 0.214 416 Q C 1.627 177.501 176.000 -0.210 0.000 0.970 416 Q CA 0.108 55.804 55.803 -0.179 0.000 0.960 416 Q CB 0.261 29.046 28.738 0.078 0.000 0.996 416 Q HN 0.173 nan 8.270 nan 0.000 0.524 417 A N 0.073 122.741 122.820 -0.254 0.000 2.015 417 A HA -0.090 4.230 4.320 -0.001 0.000 0.219 417 A C 2.162 179.605 177.584 -0.234 0.000 1.163 417 A CA 0.793 52.708 52.037 -0.203 0.000 0.646 417 A CB -0.164 18.718 19.000 -0.197 0.000 0.806 417 A HN 0.235 nan 8.150 nan 0.000 0.448 418 V N -1.283 118.390 119.914 -0.401 0.000 2.307 418 V HA -0.246 3.874 4.120 -0.001 0.000 0.245 418 V C 1.740 177.615 176.094 -0.365 0.000 1.045 418 V CA 1.553 63.590 62.300 -0.439 0.000 1.024 418 V CB -1.035 30.377 31.823 -0.685 0.000 0.651 418 V HN 0.748 nan 8.190 nan 0.000 0.449 419 Y N 0.490 120.783 120.300 -0.011 0.000 2.596 419 Y HA 0.138 4.687 4.550 -0.001 0.000 0.316 419 Y C 2.291 178.195 175.900 0.007 0.000 1.156 419 Y CA 0.171 58.274 58.100 0.005 0.000 1.300 419 Y CB -0.568 37.894 38.460 0.002 0.000 1.130 419 Y HN 0.294 nan 8.280 nan 0.000 0.518 420 S N -0.568 115.135 115.700 0.004 0.000 2.399 420 S HA -0.251 4.218 4.470 -0.001 0.000 0.231 420 S C 1.657 176.295 174.600 0.063 0.000 1.022 420 S CA 1.041 59.252 58.200 0.019 0.000 0.983 420 S CB -0.183 63.000 63.200 -0.027 0.000 0.803 420 S HN 0.595 nan 8.310 nan 0.000 0.480 421 Q N 0.975 120.818 119.800 0.071 0.000 2.084 421 Q HA 0.054 4.393 4.340 -0.001 0.000 0.202 421 Q C 1.865 177.942 176.000 0.127 0.000 0.978 421 Q CA 1.433 57.292 55.803 0.094 0.000 0.844 421 Q CB -0.505 28.283 28.738 0.084 0.000 0.898 421 Q HN 0.589 nan 8.270 nan 0.000 0.426 422 L N 0.462 121.784 121.223 0.164 0.000 2.650 422 L HA 0.008 4.347 4.340 -0.001 0.000 0.235 422 L C 1.752 178.721 176.870 0.165 0.000 1.149 422 L CA -0.052 54.897 54.840 0.182 0.000 0.887 422 L CB -0.211 41.964 42.059 0.194 0.000 1.021 422 L HN 0.220 nan 8.230 nan 0.000 0.441 423 I N -0.442 120.210 120.570 0.136 0.000 2.188 423 I HA -0.173 3.997 4.170 -0.001 0.000 0.237 423 I C 2.593 178.790 176.117 0.133 0.000 1.073 423 I CA 0.862 62.230 61.300 0.113 0.000 1.359 423 I CB -0.189 37.861 38.000 0.082 0.000 1.083 423 I HN 0.265 nan 8.210 nan 0.000 0.412 424 R N 0.782 121.362 120.500 0.133 0.000 2.105 424 R HA -0.196 4.144 4.340 -0.001 0.000 0.239 424 R C 2.126 178.503 176.300 0.129 0.000 1.135 424 R CA 1.395 57.575 56.100 0.133 0.000 0.967 424 R CB -0.808 29.580 30.300 0.147 0.000 0.861 424 R HN 0.528 nan 8.270 nan 0.000 0.442 425 Q N -0.876 119.011 119.800 0.144 0.000 2.170 425 Q HA -0.056 4.283 4.340 -0.001 0.000 0.203 425 Q C 1.169 177.242 176.000 0.122 0.000 0.976 425 Q CA 1.333 57.203 55.803 0.113 0.000 0.858 425 Q CB 0.060 28.860 28.738 0.105 0.000 0.907 425 Q HN 0.297 nan 8.270 nan 0.000 0.433 426 F N -1.814 118.153 119.950 0.028 0.000 2.682 426 F HA 0.108 4.635 4.527 -0.001 0.000 0.308 426 F C 1.863 177.669 175.800 0.010 0.000 1.093 426 F CA -0.165 57.843 58.000 0.014 0.000 1.244 426 F CB 0.745 39.751 39.000 0.010 0.000 1.052 426 F HN -0.048 nan 8.300 nan 0.000 0.573 427 T N -1.243 113.422 114.554 0.184 0.000 2.639 427 T HA -0.164 4.186 4.350 -0.001 0.000 0.261 427 T C 1.730 176.474 174.700 0.074 0.000 1.053 427 T CA 2.031 64.196 62.100 0.108 0.000 1.158 427 T CB -0.170 68.754 68.868 0.094 0.000 0.863 427 T HN 0.152 nan 8.240 nan 0.000 0.413 428 S N -1.656 114.071 115.700 0.044 0.000 2.506 428 S HA 0.200 4.670 4.470 -0.001 0.000 0.255 428 S C 0.274 174.840 174.600 -0.057 0.000 0.976 428 S CA -0.061 58.135 58.200 -0.007 0.000 1.493 428 S CB -0.187 62.996 63.200 -0.029 0.000 1.241 428 S HN 0.339 nan 8.310 nan 0.000 0.655 429 L N 2.248 123.443 121.223 -0.048 0.000 3.970 429 L HA -0.222 4.118 4.340 -0.001 0.000 0.425 429 L C 1.018 177.683 176.870 -0.341 0.000 1.162 429 L CA 1.803 56.575 54.840 -0.112 0.000 0.968 429 L CB -2.039 39.958 42.059 -0.104 0.000 1.896 429 L HN 0.584 nan 8.230 nan 0.000 1.006 430 T N -3.959 110.433 114.554 -0.270 0.000 2.937 430 T HA 0.026 4.376 4.350 -0.001 0.000 0.260 430 T C 1.026 175.505 174.700 -0.368 0.000 1.051 430 T CA 0.631 62.533 62.100 -0.330 0.000 1.141 430 T CB -0.442 68.309 68.868 -0.195 0.000 0.879 430 T HN 0.826 nan 8.240 nan 0.000 0.459 431 H N 0.362 119.397 119.070 -0.058 0.000 2.741 431 H HA -0.128 4.428 4.556 -0.001 0.000 0.305 431 H C 0.873 176.135 175.328 -0.111 0.000 1.169 431 H CA 0.323 56.341 56.048 -0.050 0.000 1.144 431 H CB -2.525 27.220 29.762 -0.029 0.000 1.397 431 H HN 0.375 nan 8.280 nan 0.000 0.409 432 V N -0.453 119.390 119.914 -0.118 0.000 2.427 432 V HA -0.164 3.956 4.120 -0.001 0.000 0.248 432 V C 1.921 177.869 176.094 -0.244 0.000 1.051 432 V CA 2.081 64.219 62.300 -0.270 0.000 1.048 432 V CB -0.515 31.030 31.823 -0.464 0.000 0.666 432 V HN 0.375 nan 8.190 nan 0.000 0.456 433 F N 0.963 120.916 119.950 0.005 0.000 2.873 433 F HA 0.349 4.875 4.527 -0.001 0.000 0.289 433 F C 0.872 176.671 175.800 -0.001 0.000 1.206 433 F CA -0.050 57.951 58.000 0.002 0.000 1.401 433 F CB -0.130 38.879 39.000 0.016 0.000 0.996 433 F HN 0.202 nan 8.300 nan 0.000 0.511 434 N N 0.367 119.117 118.700 0.083 0.000 2.971 434 N HA 0.021 4.761 4.740 -0.001 0.000 0.193 434 N C 0.746 176.196 175.510 -0.100 0.000 1.259 434 N CA 0.005 53.076 53.050 0.035 0.000 1.656 434 N CB 0.039 38.582 38.487 0.093 0.000 1.566 434 N HN -0.151 nan 8.380 nan 0.000 0.631 435 R N -0.220 120.080 120.500 -0.335 0.000 2.235 435 R HA 0.187 4.526 4.340 -0.001 0.000 0.213 435 R C -0.162 175.845 176.300 -0.489 0.000 1.059 435 R CA 0.800 56.561 56.100 -0.565 0.000 0.997 435 R CB -0.240 29.484 30.300 -0.960 0.000 0.884 435 R HN 0.361 nan 8.270 nan 0.000 0.462 436 F N -0.202 119.748 119.950 0.000 0.000 2.597 436 F HA 0.329 4.855 4.527 -0.001 0.000 0.336 436 F C -1.659 174.139 175.800 -0.003 0.000 1.432 436 F CA -2.076 55.923 58.000 -0.001 0.000 1.120 436 F CB 1.319 40.324 39.000 0.007 0.000 1.253 436 F HN -0.148 nan 8.300 nan 0.000 0.546 437 P HA -0.184 nan 4.420 nan 0.000 0.220 437 P C 1.480 178.821 177.300 0.069 0.000 1.148 437 P CA 1.326 64.451 63.100 0.043 0.000 0.803 437 P CB 0.213 31.873 31.700 -0.068 0.000 0.782 438 E N -0.585 119.666 120.200 0.084 0.000 2.076 438 E HA -0.102 4.248 4.350 -0.001 0.000 0.190 438 E C 0.834 177.515 176.600 0.134 0.000 0.979 438 E CA 0.578 57.032 56.400 0.089 0.000 0.807 438 E CB -1.394 28.351 29.700 0.075 0.000 0.761 438 E HN 0.215 nan 8.360 nan 0.000 0.454 439 N N 1.671 120.473 118.700 0.170 0.000 2.475 439 N HA -0.059 4.681 4.740 -0.001 0.000 0.267 439 N C 0.202 175.832 175.510 0.199 0.000 1.169 439 N CA 0.050 53.233 53.050 0.221 0.000 0.947 439 N CB 0.849 39.425 38.487 0.148 0.000 1.061 439 N HN 0.033 nan 8.380 nan 0.000 0.466 440 Q N 3.392 123.365 119.800 0.288 0.000 2.373 440 Q HA 0.130 4.469 4.340 -0.001 0.000 0.206 440 Q C 0.661 176.775 176.000 0.190 0.000 0.942 440 Q CA 0.167 56.129 55.803 0.265 0.000 0.953 440 Q CB 0.202 29.163 28.738 0.372 0.000 1.022 440 Q HN 0.699 nan 8.270 nan 0.000 0.502 441 I N -1.746 118.835 120.570 0.019 0.000 3.623 441 I HA -0.080 4.090 4.170 -0.001 0.000 0.253 441 I C 0.921 176.966 176.117 -0.121 0.000 1.144 441 I CA 0.123 61.362 61.300 -0.101 0.000 1.461 441 I CB 0.151 37.930 38.000 -0.369 0.000 1.575 441 I HN -0.003 nan 8.210 nan 0.000 0.445 442 L N 1.563 122.693 121.223 -0.155 0.000 2.622 442 L HA 0.212 4.551 4.340 -0.001 0.000 0.233 442 L C 1.351 178.325 176.870 0.172 0.000 1.156 442 L CA 0.127 54.916 54.840 -0.084 0.000 0.866 442 L CB -2.355 39.482 42.059 -0.370 0.000 0.980 442 L HN 0.137 nan 8.230 nan 0.000 0.448 443 A N 0.931 123.825 122.820 0.123 0.000 2.504 443 A HA 0.062 4.381 4.320 -0.001 0.000 0.242 443 A C 0.752 178.409 177.584 0.122 0.000 1.100 443 A CA -0.288 51.833 52.037 0.140 0.000 0.786 443 A CB -0.125 18.927 19.000 0.085 0.000 1.050 443 A HN 0.555 nan 8.150 nan 0.000 0.512 444 R N 0.440 121.001 120.500 0.102 0.000 2.488 444 R HA 0.260 4.599 4.340 -0.001 0.000 0.317 444 R C -2.736 173.591 176.300 0.045 0.000 0.941 444 R CA -0.772 55.377 56.100 0.082 0.000 1.076 444 R CB -0.862 29.485 30.300 0.079 0.000 0.917 444 R HN 0.328 nan 8.270 nan 0.000 0.407 445 P HA 0.122 nan 4.420 nan 0.000 0.271 445 P C -2.263 175.028 177.300 -0.016 0.000 1.218 445 P CA -1.272 61.830 63.100 0.003 0.000 0.780 445 P CB 0.257 31.965 31.700 0.014 0.000 0.901 446 P HA 0.179 nan 4.420 nan 0.000 0.272 446 P C -0.897 176.367 177.300 -0.059 0.000 1.240 446 P CA -0.198 62.874 63.100 -0.047 0.000 0.791 446 P CB 0.504 32.171 31.700 -0.055 0.000 0.978 447 A N 1.958 124.736 122.820 -0.071 0.000 2.295 447 A HA 0.678 4.997 4.320 -0.001 0.000 0.318 447 A C -2.248 175.285 177.584 -0.084 0.000 1.134 447 A CA -1.639 50.351 52.037 -0.078 0.000 0.827 447 A CB -0.413 18.538 19.000 -0.082 0.000 1.136 447 A HN 0.406 nan 8.150 nan 0.000 0.493 448 P HA 0.221 nan 4.420 nan 0.000 0.278 448 P C 0.907 178.175 177.300 -0.052 0.000 1.258 448 P CA -0.062 63.026 63.100 -0.021 0.000 0.811 448 P CB 0.658 32.402 31.700 0.073 0.000 1.063 449 T N -1.666 112.870 114.554 -0.030 0.000 2.867 449 T HA -0.031 4.319 4.350 -0.001 0.000 0.268 449 T C 0.944 175.592 174.700 -0.087 0.000 1.057 449 T CA 0.905 62.905 62.100 -0.167 0.000 1.136 449 T CB -0.860 67.961 68.868 -0.079 0.000 0.874 449 T HN 0.428 nan 8.240 nan 0.000 0.466 450 I N 1.152 121.751 120.570 0.050 0.000 2.405 450 I HA 0.490 4.660 4.170 -0.001 0.000 0.280 450 I C -0.765 175.365 176.117 0.022 0.000 1.027 450 I CA -0.872 60.476 61.300 0.080 0.000 1.161 450 I CB 1.638 39.661 38.000 0.038 0.000 1.300 450 I HN -0.242 nan 8.210 nan 0.000 0.463 451 T N 4.073 118.666 114.554 0.065 0.000 2.799 451 T HA 0.518 4.867 4.350 -0.001 0.000 0.286 451 T C 0.400 175.137 174.700 0.062 0.000 0.973 451 T CA -0.488 61.645 62.100 0.054 0.000 1.035 451 T CB 1.226 70.124 68.868 0.051 0.000 0.932 451 T HN 0.768 nan 8.240 nan 0.000 0.469 452 T N 0.113 114.657 114.554 -0.016 0.000 2.859 452 T HA 0.725 5.075 4.350 -0.001 0.000 0.281 452 T C -0.487 174.203 174.700 -0.017 0.000 1.005 452 T CA -0.730 61.326 62.100 -0.073 0.000 1.025 452 T CB 1.104 69.904 68.868 -0.114 0.000 0.977 452 T HN 0.288 nan 8.240 nan 0.000 0.458 453 V N 3.210 123.120 119.914 -0.006 0.000 2.531 453 V HA 0.466 4.586 4.120 -0.001 0.000 0.301 453 V C 0.405 176.531 176.094 0.053 0.000 1.034 453 V CA -1.048 61.278 62.300 0.043 0.000 0.865 453 V CB 2.148 34.028 31.823 0.094 0.000 0.995 453 V HN 1.179 nan 8.190 nan 0.000 0.424 454 S N 3.333 119.120 115.700 0.146 0.000 2.519 454 S HA 0.184 4.653 4.470 -0.001 0.000 0.320 454 S C -0.136 174.561 174.600 0.162 0.000 1.179 454 S CA -0.175 58.091 58.200 0.110 0.000 1.173 454 S CB -0.045 63.194 63.200 0.066 0.000 1.224 454 S HN 0.776 nan 8.310 nan 0.000 0.542 455 E N 3.508 123.759 120.200 0.085 0.000 2.146 455 E HA 0.140 4.490 4.350 -0.001 0.000 0.282 455 E C -0.277 176.416 176.600 0.155 0.000 0.989 455 E CA -0.531 55.948 56.400 0.131 0.000 0.799 455 E CB 0.550 30.306 29.700 0.093 0.000 1.088 455 E HN 0.682 nan 8.360 nan 0.000 0.397 456 N N 2.229 120.973 118.700 0.073 0.000 2.492 456 N HA 0.100 4.839 4.740 -0.001 0.000 0.260 456 N C -0.788 174.766 175.510 0.074 0.000 1.215 456 N CA 0.196 53.255 53.050 0.014 0.000 0.923 456 N CB 1.688 40.096 38.487 -0.131 0.000 1.092 456 N HN 0.172 nan 8.380 nan 0.000 0.448 457 V N 3.298 123.263 119.914 0.084 0.000 2.971 457 V HA 0.350 4.470 4.120 -0.001 0.000 0.309 457 V C -2.326 173.881 176.094 0.190 0.000 1.130 457 V CA -1.856 60.514 62.300 0.118 0.000 0.964 457 V CB 2.669 34.486 31.823 -0.009 0.000 1.029 457 V HN 0.549 nan 8.190 nan 0.000 0.427 458 P HA 0.265 nan 4.420 nan 0.000 0.267 458 P C -0.955 176.395 177.300 0.083 0.000 1.209 458 P CA 0.081 63.268 63.100 0.144 0.000 0.763 458 P CB 0.962 32.657 31.700 -0.009 0.000 0.816 459 A N 4.747 127.633 122.820 0.111 0.000 2.288 459 A HA 0.592 4.912 4.320 -0.001 0.000 0.320 459 A C -0.454 177.199 177.584 0.115 0.000 1.217 459 A CA -0.550 51.549 52.037 0.104 0.000 0.840 459 A CB 0.259 19.339 19.000 0.132 0.000 1.179 459 A HN 0.444 nan 8.150 nan 0.000 0.504 460 L N 1.726 123.000 121.223 0.085 0.000 2.470 460 L HA 0.568 4.907 4.340 -0.001 0.000 0.253 460 L C -0.185 176.728 176.870 0.072 0.000 1.163 460 L CA -0.586 54.294 54.840 0.067 0.000 0.932 460 L CB 0.228 42.307 42.059 0.033 0.000 1.213 460 L HN 0.473 nan 8.230 nan 0.000 0.485 461 T N -2.641 111.983 114.554 0.117 0.000 2.876 461 T HA 0.540 4.889 4.350 -0.001 0.000 0.289 461 T C -0.719 174.095 174.700 0.189 0.000 1.014 461 T CA -0.543 61.638 62.100 0.136 0.000 0.986 461 T CB 2.420 71.382 68.868 0.156 0.000 1.021 461 T HN 0.297 nan 8.240 nan 0.000 0.458 462 D N 0.208 120.671 120.400 0.105 0.000 2.336 462 D HA 0.209 4.849 4.640 -0.001 0.000 0.249 462 D C 0.479 176.820 176.300 0.068 0.000 1.213 462 D CA -0.153 53.901 54.000 0.090 0.000 0.870 462 D CB 0.546 41.362 40.800 0.027 0.000 1.076 462 D HN 0.572 nan 8.370 nan 0.000 0.483 463 H N 2.445 121.470 119.070 -0.074 0.000 2.551 463 H HA 0.323 4.878 4.556 -0.001 0.000 0.266 463 H C 1.426 176.728 175.328 -0.044 0.000 0.977 463 H CA 0.688 56.701 56.048 -0.058 0.000 1.163 463 H CB 0.070 29.761 29.762 -0.118 0.000 1.381 463 H HN 0.647 nan 8.280 nan 0.000 0.581 464 G N -0.430 108.392 108.800 0.036 0.000 2.548 464 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.208 464 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.208 464 G C -0.507 174.396 174.900 0.005 0.000 1.308 464 G CA -0.373 44.732 45.100 0.008 0.000 0.924 464 G HN 0.242 nan 8.290 nan 0.000 0.540 465 T N 1.237 115.791 114.554 -0.001 0.000 2.756 465 T HA 0.631 4.981 4.350 -0.001 0.000 0.290 465 T C 0.337 175.037 174.700 0.000 0.000 0.985 465 T CA -0.180 61.919 62.100 -0.003 0.000 0.955 465 T CB 0.948 69.813 68.868 -0.005 0.000 0.930 465 T HN 0.592 nan 8.240 nan 0.000 0.451 466 L N 5.336 126.559 121.223 -0.000 0.000 2.334 466 L HA 0.539 4.879 4.340 -0.001 0.000 0.272 466 L C -1.971 174.908 176.870 0.015 0.000 1.020 466 L CA -2.720 52.120 54.840 0.001 0.000 0.812 466 L CB 1.668 43.718 42.059 -0.016 0.000 1.264 466 L HN 0.344 nan 8.230 nan 0.000 0.439 467 P HA 0.102 nan 4.420 nan 0.000 0.271 467 P C -1.178 176.153 177.300 0.050 0.000 1.218 467 P CA -0.281 62.851 63.100 0.053 0.000 0.780 467 P CB 1.320 33.058 31.700 0.063 0.000 0.901 468 L N 2.549 123.822 121.223 0.083 0.000 2.385 468 L HA 0.456 4.795 4.340 -0.001 0.000 0.273 468 L C 0.248 177.156 176.870 0.064 0.000 0.990 468 L CA -1.131 53.751 54.840 0.069 0.000 0.821 468 L CB 1.509 43.640 42.059 0.119 0.000 1.279 468 L HN 0.346 nan 8.230 nan 0.000 0.412 469 R N 2.425 122.937 120.500 0.020 0.000 2.543 469 R HA 0.167 4.507 4.340 -0.001 0.000 0.277 469 R C -0.067 176.218 176.300 -0.025 0.000 1.074 469 R CA 0.020 56.122 56.100 0.003 0.000 1.076 469 R CB 0.593 30.888 30.300 -0.008 0.000 0.993 469 R HN 0.749 nan 8.270 nan 0.000 0.459 470 N N 0.584 119.261 118.700 -0.038 0.000 2.314 470 N HA -0.009 4.731 4.740 -0.001 0.000 0.200 470 N C -1.030 174.417 175.510 -0.106 0.000 1.135 470 N CA 0.038 53.034 53.050 -0.090 0.000 0.835 470 N CB 0.949 39.403 38.487 -0.057 0.000 0.989 470 N HN 0.504 nan 8.380 nan 0.000 0.478 471 S N 0.212 115.868 115.700 -0.073 0.000 2.620 471 S HA 0.430 4.900 4.470 -0.001 0.000 0.244 471 S C -0.768 173.801 174.600 -0.052 0.000 1.192 471 S CA -0.938 57.224 58.200 -0.063 0.000 1.148 471 S CB -0.176 62.998 63.200 -0.044 0.000 1.106 471 S HN 0.126 nan 8.310 nan 0.000 0.474 472 I N 2.640 123.175 120.570 -0.060 0.000 2.328 472 I HA 0.514 4.684 4.170 -0.001 0.000 0.287 472 I C 1.078 177.175 176.117 -0.033 0.000 1.012 472 I CA -0.884 60.386 61.300 -0.050 0.000 1.195 472 I CB 0.878 38.837 38.000 -0.067 0.000 1.350 472 I HN 0.773 nan 8.210 nan 0.000 0.464 473 G N 3.622 112.408 108.800 -0.024 0.000 2.484 473 G HA2 0.209 4.168 3.960 -0.001 0.000 0.235 473 G HA3 0.209 4.168 3.960 -0.001 0.000 0.235 473 G C 0.962 175.857 174.900 -0.009 0.000 1.282 473 G CA -0.325 44.768 45.100 -0.012 0.000 0.857 473 G HN 0.931 nan 8.290 nan 0.000 0.571 474 G N -0.673 108.128 108.800 0.000 0.000 3.234 474 G HA2 0.318 4.278 3.960 -0.001 0.000 0.221 474 G HA3 0.318 4.278 3.960 -0.001 0.000 0.221 474 G C 0.359 175.268 174.900 0.015 0.000 1.229 474 G CA 0.715 45.816 45.100 0.003 0.000 0.909 474 G HN 1.391 nan 8.290 nan 0.000 0.510 475 V N -3.144 116.779 119.914 0.016 0.000 2.666 475 V HA 0.357 4.476 4.120 -0.001 0.000 0.261 475 V C -0.715 175.392 176.094 0.022 0.000 0.892 475 V CA -1.267 61.050 62.300 0.030 0.000 0.937 475 V CB 0.399 32.242 31.823 0.033 0.000 1.063 475 V HN -0.030 nan 8.190 nan 0.000 0.494 476 Q N 1.945 121.754 119.800 0.016 0.000 2.299 476 Q HA 0.511 4.851 4.340 -0.001 0.000 0.246 476 Q C -0.260 175.726 176.000 -0.024 0.000 0.935 476 Q CA 0.013 55.807 55.803 -0.016 0.000 0.887 476 Q CB 2.180 30.902 28.738 -0.028 0.000 1.223 476 Q HN 0.740 nan 8.270 nan 0.000 0.439 477 R N 0.810 121.263 120.500 -0.079 0.000 2.338 477 R HA 0.495 4.834 4.340 -0.001 0.000 0.317 477 R C -1.129 175.025 176.300 -0.244 0.000 0.968 477 R CA -0.404 55.627 56.100 -0.115 0.000 0.849 477 R CB 1.009 31.277 30.300 -0.053 0.000 1.128 477 R HN 0.302 nan 8.270 nan 0.000 0.448 478 V N 3.387 123.059 119.914 -0.404 0.000 2.435 478 V HA 0.454 4.573 4.120 -0.001 0.000 0.290 478 V C -0.385 175.452 176.094 -0.429 0.000 1.030 478 V CA -0.430 61.563 62.300 -0.512 0.000 0.881 478 V CB 2.012 33.210 31.823 -1.042 0.000 0.983 478 V HN 0.806 nan 8.190 nan 0.000 0.445 479 T N 5.931 120.351 114.554 -0.222 0.000 3.031 479 T HA 0.470 4.820 4.350 -0.001 0.000 0.305 479 T C -0.551 174.070 174.700 -0.133 0.000 0.985 479 T CA -0.280 61.746 62.100 -0.122 0.000 1.008 479 T CB 0.858 69.735 68.868 0.015 0.000 1.005 479 T HN 0.392 nan 8.240 nan 0.000 0.444 480 I N 4.000 124.443 120.570 -0.211 0.000 2.282 480 I HA 0.266 4.436 4.170 -0.001 0.000 0.290 480 I C 1.260 177.285 176.117 -0.154 0.000 1.090 480 I CA -0.630 60.480 61.300 -0.317 0.000 1.231 480 I CB -0.349 37.388 38.000 -0.438 0.000 1.434 480 I HN 0.634 nan 8.210 nan 0.000 0.487 481 T N 2.452 116.964 114.554 -0.070 0.000 2.847 481 T HA 0.356 4.705 4.350 -0.001 0.000 0.279 481 T C 0.076 174.709 174.700 -0.111 0.000 0.984 481 T CA -0.616 61.472 62.100 -0.020 0.000 0.988 481 T CB 2.139 71.084 68.868 0.128 0.000 1.040 481 T HN 0.633 nan 8.240 nan 0.000 0.528 482 D N 0.102 120.436 120.400 -0.109 0.000 2.567 482 D HA 0.358 4.997 4.640 -0.001 0.000 0.275 482 D C 1.299 177.412 176.300 -0.312 0.000 1.195 482 D CA -0.509 53.393 54.000 -0.163 0.000 1.087 482 D CB 1.045 41.887 40.800 0.070 0.000 1.165 482 D HN 0.660 nan 8.370 nan 0.000 0.609 483 A N -0.809 121.854 122.820 -0.262 0.000 2.248 483 A HA -0.080 4.240 4.320 -0.001 0.000 0.210 483 A C 1.734 179.326 177.584 0.013 0.000 1.174 483 A CA 0.645 52.559 52.037 -0.205 0.000 0.750 483 A CB -0.600 18.322 19.000 -0.130 0.000 0.780 483 A HN 0.452 nan 8.150 nan 0.000 0.478 484 R N -0.730 119.799 120.500 0.049 0.000 2.700 484 R HA 0.224 4.563 4.340 -0.001 0.000 0.399 484 R C -0.362 176.001 176.300 0.105 0.000 1.115 484 R CA -0.395 55.766 56.100 0.102 0.000 1.058 484 R CB -0.166 30.195 30.300 0.102 0.000 1.389 484 R HN 0.422 nan 8.270 nan 0.000 0.582 485 R N 1.425 122.002 120.500 0.128 0.000 3.184 485 R HA -0.192 4.148 4.340 -0.001 0.000 0.242 485 R C -0.727 175.598 176.300 0.042 0.000 0.907 485 R CA 0.946 57.129 56.100 0.138 0.000 0.618 485 R CB -0.633 29.799 30.300 0.219 0.000 1.016 485 R HN 0.198 nan 8.270 nan 0.000 0.469 486 R N -0.443 120.036 120.500 -0.034 0.000 2.803 486 R HA 0.289 4.629 4.340 -0.001 0.000 0.276 486 R C 0.262 176.422 176.300 -0.233 0.000 0.978 486 R CA -0.463 55.541 56.100 -0.160 0.000 0.939 486 R CB 1.435 31.562 30.300 -0.288 0.000 1.179 486 R HN 0.216 nan 8.270 nan 0.000 0.472 487 T N -1.963 112.445 114.554 -0.244 0.000 2.930 487 T HA 0.057 4.406 4.350 -0.001 0.000 0.306 487 T C 0.563 175.087 174.700 -0.293 0.000 1.045 487 T CA -0.580 61.400 62.100 -0.201 0.000 1.134 487 T CB 0.563 69.349 68.868 -0.135 0.000 0.961 487 T HN 0.603 nan 8.240 nan 0.000 0.545 488 C N 6.831 126.042 119.300 -0.150 0.000 2.265 488 C HA 0.565 5.024 4.460 -0.001 0.000 0.332 488 C C -1.831 173.146 174.990 -0.022 0.000 1.248 488 C CA -1.917 57.074 59.018 -0.045 0.000 1.727 488 C CB -0.056 27.720 27.740 0.060 0.000 2.348 488 C HN 0.799 nan 8.230 nan 0.000 0.519 489 P HA 0.199 nan 4.420 nan 0.000 0.243 489 P C -0.417 176.688 177.300 -0.324 0.000 1.672 489 P CA 0.373 63.363 63.100 -0.183 0.000 1.000 489 P CB -0.519 31.028 31.700 -0.255 0.000 1.562 490 Y N -1.447 118.871 120.300 0.030 0.000 2.500 490 Y HA 0.166 4.716 4.550 -0.001 0.000 0.246 490 Y C 0.888 176.841 175.900 0.088 0.000 1.146 490 Y CA -0.193 57.940 58.100 0.055 0.000 1.230 490 Y CB 1.048 39.534 38.460 0.043 0.000 1.214 490 Y HN -0.290 nan 8.280 nan 0.000 0.526 491 V N 1.631 121.652 119.914 0.177 0.000 2.356 491 V HA -0.055 4.064 4.120 -0.001 0.000 0.258 491 V C 0.423 176.601 176.094 0.141 0.000 1.065 491 V CA 0.381 62.774 62.300 0.154 0.000 0.935 491 V CB -0.259 31.629 31.823 0.108 0.000 1.061 491 V HN 0.409 nan 8.190 nan 0.000 0.484 492 Y N 3.281 123.521 120.300 -0.101 0.000 2.397 492 Y HA 0.137 4.687 4.550 -0.001 0.000 0.292 492 Y C 1.498 176.981 175.900 -0.694 0.000 1.115 492 Y CA 0.716 58.594 58.100 -0.369 0.000 1.208 492 Y CB 0.627 39.000 38.460 -0.145 0.000 1.046 492 Y HN 0.436 nan 8.280 nan 0.000 0.552 493 K N 0.602 120.971 120.400 -0.052 0.000 2.579 493 K HA 0.638 4.958 4.320 -0.001 0.000 0.250 493 K C -1.542 175.156 176.600 0.163 0.000 0.952 493 K CA -0.436 55.847 56.287 -0.006 0.000 0.857 493 K CB 1.196 33.706 32.500 0.016 0.000 1.123 493 K HN 0.001 nan 8.250 nan 0.000 0.433 494 A N 3.981 126.969 122.820 0.280 0.000 2.355 494 A HA 0.896 5.215 4.320 -0.001 0.000 0.324 494 A C -1.621 176.241 177.584 0.462 0.000 1.117 494 A CA -0.652 51.650 52.037 0.442 0.000 0.785 494 A CB 0.938 20.257 19.000 0.531 0.000 1.254 494 A HN 0.631 nan 8.150 nan 0.000 0.453 495 L N 0.379 121.868 121.223 0.442 0.000 2.469 495 L HA 0.814 5.154 4.340 -0.001 0.000 0.256 495 L C -0.054 176.893 176.870 0.128 0.000 1.006 495 L CA 0.184 55.188 54.840 0.273 0.000 0.832 495 L CB 2.557 44.709 42.059 0.157 0.000 1.421 495 L HN 1.032 nan 8.230 nan 0.000 0.410 496 G N 2.406 111.257 108.800 0.086 0.000 2.741 496 G HA2 0.655 4.615 3.960 -0.001 0.000 0.293 496 G HA3 0.655 4.615 3.960 -0.001 0.000 0.293 496 G C -1.735 173.175 174.900 0.017 0.000 1.457 496 G CA -0.234 44.841 45.100 -0.043 0.000 1.098 496 G HN 0.434 nan 8.290 nan 0.000 0.536 497 I N 2.367 122.907 120.570 -0.050 0.000 2.410 497 I HA 0.366 4.536 4.170 -0.001 0.000 0.286 497 I C -0.382 175.665 176.117 -0.117 0.000 1.009 497 I CA -1.022 60.257 61.300 -0.036 0.000 1.111 497 I CB 2.165 40.179 38.000 0.024 0.000 1.262 497 I HN 0.162 nan 8.210 nan 0.000 0.443 498 V N 3.959 123.785 119.914 -0.146 0.000 2.513 498 V HA 0.480 4.600 4.120 -0.001 0.000 0.299 498 V C -0.003 176.004 176.094 -0.145 0.000 1.035 498 V CA -0.584 61.635 62.300 -0.135 0.000 0.889 498 V CB 1.598 33.348 31.823 -0.122 0.000 0.988 498 V HN 0.753 nan 8.190 nan 0.000 0.440 499 S N 5.399 121.046 115.700 -0.089 0.000 2.406 499 S HA 0.395 4.864 4.470 -0.001 0.000 0.224 499 S C -2.629 171.977 174.600 0.010 0.000 1.426 499 S CA -1.085 57.079 58.200 -0.060 0.000 1.179 499 S CB 0.777 63.949 63.200 -0.047 0.000 1.042 499 S HN 0.657 nan 8.310 nan 0.000 0.479 500 P HA 0.274 nan 4.420 nan 0.000 0.268 500 P C -0.409 177.099 177.300 0.347 0.000 1.205 500 P CA -0.224 62.992 63.100 0.194 0.000 0.771 500 P CB 0.523 32.293 31.700 0.118 0.000 0.858 501 R N 0.459 121.182 120.500 0.372 0.000 2.663 501 R HA 0.576 4.915 4.340 -0.001 0.000 0.267 501 R C -0.526 175.579 176.300 -0.324 0.000 1.038 501 R CA -1.187 54.981 56.100 0.113 0.000 0.886 501 R CB 0.422 30.741 30.300 0.030 0.000 1.249 501 R HN 0.175 nan 8.270 nan 0.000 0.463 502 V N 0.275 119.809 119.914 -0.633 0.000 3.096 502 V HA 0.210 4.329 4.120 -0.001 0.000 0.306 502 V C 0.313 176.158 176.094 -0.416 0.000 1.088 502 V CA -0.493 61.311 62.300 -0.826 0.000 1.129 502 V CB 0.632 32.077 31.823 -0.630 0.000 1.014 502 V HN 0.730 nan 8.190 nan 0.000 0.486 503 L N 1.331 122.338 121.223 -0.361 0.000 2.966 503 L HA 0.280 4.620 4.340 -0.001 0.000 0.262 503 L C 1.030 177.832 176.870 -0.114 0.000 1.068 503 L CA 1.354 56.090 54.840 -0.173 0.000 1.004 503 L CB 0.332 42.334 42.059 -0.094 0.000 1.629 503 L HN 1.128 nan 8.230 nan 0.000 0.542 504 S N -2.206 113.427 115.700 -0.111 0.000 4.078 504 S HA 0.703 5.172 4.470 -0.001 0.000 0.290 504 S C -0.125 174.451 174.600 -0.040 0.000 1.069 504 S CA -0.105 58.065 58.200 -0.050 0.000 1.246 504 S CB 2.507 65.706 63.200 -0.002 0.000 1.659 504 S HN -0.035 nan 8.310 nan 0.000 0.624 505 S N -0.846 114.862 115.700 0.014 0.000 3.003 505 S HA 0.619 5.089 4.470 -0.001 0.000 0.313 505 S C -1.616 173.032 174.600 0.080 0.000 1.230 505 S CA -0.814 57.403 58.200 0.029 0.000 0.977 505 S CB 1.160 64.360 63.200 -0.000 0.000 1.340 505 S HN 0.642 nan 8.310 nan 0.000 0.608 506 R N 1.138 121.672 120.500 0.057 0.000 2.505 506 R HA 0.662 5.002 4.340 -0.001 0.000 0.284 506 R C -0.237 176.078 176.300 0.025 0.000 1.324 506 R CA 0.511 56.650 56.100 0.064 0.000 1.432 506 R CB 0.715 31.065 30.300 0.082 0.000 1.107 506 R HN 0.883 nan 8.270 nan 0.000 0.587 507 T N 0.000 114.557 114.554 0.005 0.000 3.816 507 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 507 T CA 0.000 nan 62.100 nan 0.000 1.349 507 T CB 0.000 nan 68.868 nan 0.000 0.612 507 T HN 0.000 nan 8.240 nan 0.000 0.658