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_C 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 0.000 174.693 174.700 -0.012 0.000 1.109 49 T CA 0.000 62.071 62.100 -0.048 0.000 1.349 49 T CB 0.000 68.849 68.868 -0.032 0.000 0.612 50 G N 1.159 109.960 108.800 0.002 0.000 2.559 50 G HA2 0.310 4.269 3.960 -0.001 0.000 0.216 50 G HA3 0.310 4.269 3.960 -0.001 0.000 0.216 50 G C 1.066 175.992 174.900 0.044 0.000 1.126 50 G CA 1.156 46.273 45.100 0.029 0.000 0.778 50 G HN 0.662 nan 8.290 nan 0.000 0.543 51 G N 0.308 109.119 108.800 0.018 0.000 2.961 51 G HA2 0.192 4.151 3.960 -0.001 0.000 0.150 51 G HA3 0.192 4.151 3.960 -0.001 0.000 0.150 51 G C 0.238 175.158 174.900 0.033 0.000 1.864 51 G CA -0.489 44.620 45.100 0.015 0.000 0.992 51 G HN 0.177 nan 8.290 nan 0.000 0.458 52 R N 1.761 122.264 120.500 0.005 0.000 2.215 52 R HA 0.222 4.562 4.340 -0.001 0.000 0.337 52 R C -0.592 175.743 176.300 0.058 0.000 1.010 52 R CA -0.336 55.781 56.100 0.028 0.000 0.871 52 R CB 0.646 30.949 30.300 0.006 0.000 1.134 52 R HN 0.637 nan 8.270 nan 0.000 0.477 53 N N -0.910 117.890 118.700 0.167 0.000 2.351 53 N HA 0.024 4.764 4.740 -0.001 0.000 0.254 53 N C -0.750 175.046 175.510 0.477 0.000 1.241 53 N CA -0.471 52.788 53.050 0.348 0.000 0.883 53 N CB 0.653 39.310 38.487 0.282 0.000 1.202 53 N HN 0.040 nan 8.380 nan 0.000 0.512 54 S N 0.777 116.652 115.700 0.291 0.000 2.548 54 S HA 0.392 4.862 4.470 -0.001 0.000 0.277 54 S C 0.183 174.841 174.600 0.097 0.000 1.315 54 S CA -0.380 57.894 58.200 0.124 0.000 1.050 54 S CB 0.624 63.801 63.200 -0.038 0.000 0.918 54 S HN 0.275 nan 8.310 nan 0.000 0.497 55 I N 3.213 123.798 120.570 0.025 0.000 2.464 55 I HA 0.351 4.521 4.170 -0.001 0.000 0.277 55 I C 0.100 176.198 176.117 -0.032 0.000 1.040 55 I CA -0.271 60.973 61.300 -0.094 0.000 1.153 55 I CB 0.796 38.676 38.000 -0.201 0.000 1.274 55 I HN 0.333 nan 8.210 nan 0.000 0.469 56 R N 3.555 124.037 120.500 -0.029 0.000 2.407 56 R HA 0.424 4.763 4.340 -0.001 0.000 0.303 56 R C -0.487 175.839 176.300 0.043 0.000 0.981 56 R CA -0.573 55.527 56.100 0.001 0.000 0.905 56 R CB 1.968 32.251 30.300 -0.029 0.000 1.099 56 R HN 0.421 nan 8.270 nan 0.000 0.459 57 Y N 1.253 121.517 120.300 -0.061 0.000 3.052 57 Y HA 0.229 4.779 4.550 -0.001 0.000 0.468 57 Y C 1.284 177.145 175.900 -0.064 0.000 1.283 57 Y CA -0.151 57.906 58.100 -0.072 0.000 1.807 57 Y CB -0.305 38.114 38.460 -0.068 0.000 1.580 57 Y HN 0.546 nan 8.280 nan 0.000 0.782 58 S N -0.315 114.742 115.700 -1.072 0.000 2.646 58 S HA 0.088 4.558 4.470 -0.001 0.000 0.192 58 S C 0.598 174.968 174.600 -0.383 0.000 1.218 58 S CA 0.254 58.020 58.200 -0.723 0.000 1.545 58 S CB -0.523 62.132 63.200 -0.909 0.000 0.737 58 S HN 0.551 nan 8.310 nan 0.000 0.467 59 E N 0.803 120.830 120.200 -0.289 0.000 2.301 59 E HA 0.156 4.506 4.350 -0.001 0.000 0.195 59 E C 0.453 176.998 176.600 -0.091 0.000 1.171 59 E CA -0.214 56.105 56.400 -0.135 0.000 1.142 59 E CB -0.127 29.533 29.700 -0.067 0.000 1.218 59 E HN 0.329 nan 8.360 nan 0.000 0.448 60 L N 0.061 121.212 121.223 -0.120 0.000 2.543 60 L HA 0.404 4.744 4.340 -0.001 0.000 0.181 60 L C 0.033 176.930 176.870 0.044 0.000 1.437 60 L CA 0.037 54.895 54.840 0.030 0.000 3.059 60 L CB 0.338 42.524 42.059 0.211 0.000 2.916 60 L HN 0.024 nan 8.230 nan 0.000 1.037 61 A N -0.793 122.079 122.820 0.085 0.000 2.422 61 A HA 0.688 5.007 4.320 -0.001 0.000 0.302 61 A C -2.602 175.029 177.584 0.077 0.000 1.041 61 A CA -1.204 50.877 52.037 0.074 0.000 0.708 61 A CB 0.884 19.936 19.000 0.088 0.000 1.257 61 A HN 0.231 nan 8.150 nan 0.000 0.414 62 P HA 0.311 nan 4.420 nan 0.000 0.276 62 P C -0.967 176.463 177.300 0.217 0.000 1.264 62 P CA 0.243 63.383 63.100 0.067 0.000 0.769 62 P CB 0.406 32.067 31.700 -0.064 0.000 0.840 63 L N 5.786 127.129 121.223 0.200 0.000 2.335 63 L HA 0.385 4.724 4.340 -0.001 0.000 0.268 63 L C 0.042 177.087 176.870 0.292 0.000 1.037 63 L CA -0.754 54.218 54.840 0.220 0.000 0.895 63 L CB -0.089 42.026 42.059 0.092 0.000 1.266 63 L HN 0.393 nan 8.230 nan 0.000 0.439 64 F N 0.620 120.585 119.950 0.025 0.000 2.410 64 F HA 0.581 5.107 4.527 -0.001 0.000 0.348 64 F C -0.120 175.717 175.800 0.062 0.000 1.106 64 F CA -0.913 57.119 58.000 0.053 0.000 1.163 64 F CB 0.734 39.773 39.000 0.065 0.000 1.129 64 F HN 0.341 nan 8.300 nan 0.000 0.516 65 D N 1.407 121.969 120.400 0.270 0.000 9.781 65 D HA -0.165 4.475 4.640 -0.001 0.000 0.283 65 D C -0.131 176.237 176.300 0.113 0.000 2.757 65 D CA 0.883 55.001 54.000 0.197 0.000 2.589 65 D CB -0.472 40.387 40.800 0.099 0.000 1.049 65 D HN 1.134 nan 8.370 nan 0.000 0.767 66 T N 0.640 115.276 114.554 0.136 0.000 0.604 66 T HA -0.020 4.330 4.350 -0.001 0.000 0.769 66 T C -0.030 174.651 174.700 -0.033 0.000 0.992 66 T CA 2.050 64.175 62.100 0.042 0.000 4.043 66 T CB -0.121 68.781 68.868 0.056 0.000 2.285 66 T HN 0.796 nan 8.240 nan 0.000 0.397 67 T N 4.610 119.110 114.554 -0.091 0.000 2.647 67 T HA 0.707 5.056 4.350 -0.001 0.000 0.295 67 T C -1.604 172.990 174.700 -0.176 0.000 1.126 67 T CA -1.024 61.007 62.100 -0.115 0.000 1.040 67 T CB 1.104 69.906 68.868 -0.111 0.000 1.472 67 T HN 0.640 nan 8.240 nan 0.000 0.500 68 R N 1.371 121.729 120.500 -0.237 0.000 2.445 68 R HA 0.645 4.984 4.340 -0.001 0.000 0.308 68 R C -0.598 175.421 176.300 -0.469 0.000 0.961 68 R CA -0.606 55.240 56.100 -0.423 0.000 0.862 68 R CB 1.099 31.003 30.300 -0.659 0.000 1.144 68 R HN 0.637 nan 8.270 nan 0.000 0.447 69 V N 0.328 119.984 119.914 -0.431 0.000 2.581 69 V HA 0.624 4.744 4.120 -0.001 0.000 0.303 69 V C -0.837 175.113 176.094 -0.241 0.000 1.041 69 V CA -1.055 61.081 62.300 -0.274 0.000 0.907 69 V CB 1.523 33.253 31.823 -0.155 0.000 0.994 69 V HN 0.585 nan 8.190 nan 0.000 0.442 70 Y N 3.177 123.459 120.300 -0.030 0.000 2.331 70 Y HA 0.654 5.204 4.550 -0.001 0.000 0.334 70 Y C -0.172 175.746 175.900 0.030 0.000 0.960 70 Y CA -0.779 57.323 58.100 0.003 0.000 1.130 70 Y CB 1.995 40.460 38.460 0.009 0.000 1.164 70 Y HN 0.528 nan 8.280 nan 0.000 0.458 71 L N 5.801 127.156 121.223 0.221 0.000 2.288 71 L HA 0.480 4.819 4.340 -0.001 0.000 0.283 71 L C -0.782 176.250 176.870 0.270 0.000 1.072 71 L CA -0.713 54.240 54.840 0.188 0.000 0.862 71 L CB 0.075 42.209 42.059 0.124 0.000 1.245 71 L HN 0.394 nan 8.230 nan 0.000 0.432 72 V N -1.260 118.822 119.914 0.279 0.000 2.555 72 V HA 0.394 4.514 4.120 -0.001 0.000 0.302 72 V C 0.170 176.468 176.094 0.340 0.000 1.038 72 V CA -0.814 61.648 62.300 0.268 0.000 0.887 72 V CB 1.658 33.560 31.823 0.130 0.000 0.991 72 V HN 0.582 nan 8.190 nan 0.000 0.434 73 D N 1.978 122.532 120.400 0.258 0.000 2.213 73 D HA -0.108 4.532 4.640 -0.001 0.000 0.205 73 D C 1.295 177.602 176.300 0.012 0.000 0.961 73 D CA 1.011 54.981 54.000 -0.049 0.000 0.853 73 D CB -0.290 40.377 40.800 -0.222 0.000 0.967 73 D HN 0.652 nan 8.370 nan 0.000 0.496 74 N N 0.023 118.764 118.700 0.068 0.000 2.571 74 N HA -0.027 4.713 4.740 -0.001 0.000 0.189 74 N C -0.111 175.425 175.510 0.043 0.000 1.154 74 N CA -0.027 53.057 53.050 0.057 0.000 0.907 74 N CB 0.125 38.643 38.487 0.052 0.000 0.977 74 N HN 0.069 nan 8.380 nan 0.000 0.449 75 K N 1.046 121.477 120.400 0.050 0.000 2.402 75 K HA 0.015 4.334 4.320 -0.001 0.000 0.279 75 K C 0.801 177.422 176.600 0.036 0.000 1.082 75 K CA -0.202 56.110 56.287 0.042 0.000 1.080 75 K CB 0.645 33.178 32.500 0.055 0.000 0.899 75 K HN 0.132 nan 8.250 nan 0.000 0.469 76 S N 1.615 117.331 115.700 0.028 0.000 2.387 76 S HA -0.221 4.249 4.470 -0.001 0.000 0.230 76 S C 2.076 176.691 174.600 0.025 0.000 1.035 76 S CA 2.149 60.364 58.200 0.026 0.000 1.014 76 S CB -0.354 62.858 63.200 0.021 0.000 0.836 76 S HN 0.854 nan 8.310 nan 0.000 0.466 77 T N 1.956 116.527 114.554 0.028 0.000 2.701 77 T HA -0.158 4.191 4.350 -0.001 0.000 0.263 77 T C 1.496 176.212 174.700 0.027 0.000 1.040 77 T CA 1.551 63.667 62.100 0.027 0.000 1.147 77 T CB -0.794 68.095 68.868 0.035 0.000 0.865 77 T HN 0.593 nan 8.240 nan 0.000 0.426 78 D N 1.356 121.778 120.400 0.037 0.000 2.234 78 D HA -0.007 4.633 4.640 -0.001 0.000 0.205 78 D C 2.019 178.341 176.300 0.037 0.000 0.962 78 D CA 0.276 54.301 54.000 0.041 0.000 0.855 78 D CB -0.956 39.882 40.800 0.062 0.000 0.951 78 D HN 0.368 nan 8.370 nan 0.000 0.500 79 V N 0.777 120.710 119.914 0.032 0.000 2.380 79 V HA -0.287 3.832 4.120 -0.001 0.000 0.251 79 V C 2.579 178.701 176.094 0.048 0.000 1.063 79 V CA 2.025 64.344 62.300 0.030 0.000 1.055 79 V CB -0.857 30.983 31.823 0.029 0.000 0.657 79 V HN 0.465 nan 8.190 nan 0.000 0.455 80 A N -1.401 121.433 122.820 0.023 0.000 1.843 80 A HA -0.145 4.174 4.320 -0.001 0.000 0.213 80 A C 2.515 180.053 177.584 -0.077 0.000 1.202 80 A CA 1.779 53.803 52.037 -0.021 0.000 0.607 80 A CB -0.808 18.170 19.000 -0.036 0.000 0.847 80 A HN 0.434 nan 8.150 nan 0.000 0.445 81 S N -1.002 114.673 115.700 -0.042 0.000 2.368 81 S HA 0.061 4.531 4.470 -0.001 0.000 0.224 81 S C 0.636 175.223 174.600 -0.020 0.000 1.029 81 S CA 1.314 59.487 58.200 -0.045 0.000 0.988 81 S CB -0.573 62.619 63.200 -0.013 0.000 0.838 81 S HN 0.500 nan 8.310 nan 0.000 0.462 82 L N -1.880 119.355 121.223 0.021 0.000 2.359 82 L HA 0.665 5.004 4.340 -0.001 0.000 0.256 82 L C 0.101 177.015 176.870 0.074 0.000 1.026 82 L CA -1.061 53.810 54.840 0.052 0.000 0.828 82 L CB 1.152 43.247 42.059 0.059 0.000 1.406 82 L HN -0.053 nan 8.230 nan 0.000 0.413 83 N N -0.950 117.802 118.700 0.087 0.000 2.965 83 N HA -0.317 4.422 4.740 -0.001 0.000 0.232 83 N C 0.727 176.287 175.510 0.083 0.000 0.913 83 N CA 1.695 54.783 53.050 0.063 0.000 0.981 83 N CB -1.400 37.090 38.487 0.006 0.000 1.077 83 N HN 0.982 nan 8.380 nan 0.000 0.589 84 Y N 2.019 122.299 120.300 -0.033 0.000 2.069 84 Y HA -0.251 4.299 4.550 -0.001 0.000 0.278 84 Y C 1.981 177.850 175.900 -0.052 0.000 1.175 84 Y CA 2.791 60.867 58.100 -0.040 0.000 1.134 84 Y CB -0.080 38.365 38.460 -0.024 0.000 0.965 84 Y HN 0.376 nan 8.280 nan 0.000 0.498 85 Q N 0.544 120.378 119.800 0.057 0.000 2.341 85 Q HA 0.276 4.616 4.340 -0.001 0.000 0.325 85 Q C -0.931 175.033 176.000 -0.060 0.000 0.920 85 Q CA -0.212 55.538 55.803 -0.088 0.000 1.065 85 Q CB -0.035 28.668 28.738 -0.058 0.000 1.218 85 Q HN 0.337 nan 8.270 nan 0.000 0.434 86 N N 1.546 120.209 118.700 -0.062 0.000 2.405 86 N HA 0.219 4.958 4.740 -0.001 0.000 0.285 86 N C -0.969 174.456 175.510 -0.142 0.000 1.262 86 N CA -0.264 52.747 53.050 -0.064 0.000 0.773 86 N CB 2.025 40.510 38.487 -0.003 0.000 1.490 86 N HN 0.252 nan 8.380 nan 0.000 0.486 87 D N -1.133 119.181 120.400 -0.145 0.000 2.509 87 D HA 0.197 4.836 4.640 -0.001 0.000 0.275 87 D C 0.363 176.438 176.300 -0.374 0.000 1.189 87 D CA 0.382 54.244 54.000 -0.230 0.000 1.098 87 D CB 0.182 40.900 40.800 -0.137 0.000 1.177 87 D HN 0.512 nan 8.370 nan 0.000 0.599 88 H N -2.195 116.831 119.070 -0.074 0.000 2.592 88 H HA 0.261 4.817 4.556 -0.001 0.000 0.265 88 H C 1.022 176.431 175.328 0.136 0.000 0.955 88 H CA 0.582 56.579 56.048 -0.085 0.000 1.175 88 H CB 0.638 30.383 29.762 -0.029 0.000 1.433 88 H HN 0.220 nan 8.280 nan 0.000 0.537 89 S N 0.411 116.216 115.700 0.176 0.000 2.597 89 S HA 0.063 4.533 4.470 -0.001 0.000 0.224 89 S C -0.124 174.554 174.600 0.131 0.000 0.955 89 S CA -0.241 58.043 58.200 0.139 0.000 0.933 89 S CB -0.344 62.896 63.200 0.066 0.000 0.788 89 S HN 0.440 nan 8.310 nan 0.000 0.488 90 N N 0.706 119.542 118.700 0.227 0.000 2.905 90 N HA 0.317 5.057 4.740 -0.001 0.000 0.255 90 N C -1.080 174.619 175.510 0.315 0.000 1.199 90 N CA -0.571 52.594 53.050 0.193 0.000 0.911 90 N CB 0.291 38.821 38.487 0.072 0.000 1.550 90 N HN 0.266 nan 8.380 nan 0.000 0.599 91 F N 0.680 120.644 119.950 0.023 0.000 2.779 91 F HA 0.731 5.258 4.527 -0.001 0.000 0.316 91 F C -1.922 173.903 175.800 0.042 0.000 1.164 91 F CA -1.248 56.761 58.000 0.015 0.000 0.924 91 F CB 1.254 40.250 39.000 -0.006 0.000 1.348 91 F HN 0.067 nan 8.300 nan 0.000 0.467 92 L N 1.420 122.851 121.223 0.346 0.000 2.346 92 L HA 0.759 5.099 4.340 -0.001 0.000 0.276 92 L C -0.647 176.379 176.870 0.260 0.000 1.006 92 L CA -0.673 54.276 54.840 0.181 0.000 0.817 92 L CB 2.154 44.283 42.059 0.117 0.000 1.272 92 L HN 0.740 nan 8.230 nan 0.000 0.421 93 T N -0.108 114.545 114.554 0.166 0.000 2.863 93 T HA 0.407 4.757 4.350 -0.001 0.000 0.285 93 T C -0.117 174.641 174.700 0.096 0.000 1.009 93 T CA -0.607 61.601 62.100 0.181 0.000 0.989 93 T CB 1.682 70.667 68.868 0.194 0.000 1.004 93 T HN 0.678 nan 8.240 nan 0.000 0.455 94 T N 0.583 115.189 114.554 0.086 0.000 2.738 94 T HA 0.291 4.640 4.350 -0.001 0.000 0.294 94 T C 0.955 175.677 174.700 0.036 0.000 0.914 94 T CA -0.600 61.530 62.100 0.050 0.000 1.052 94 T CB 0.239 69.135 68.868 0.047 0.000 0.897 94 T HN 0.267 nan 8.240 nan 0.000 0.522 95 V N 3.839 123.761 119.914 0.012 0.000 3.623 95 V HA 0.203 4.322 4.120 -0.001 0.000 0.271 95 V C 0.974 177.029 176.094 -0.066 0.000 1.248 95 V CA 0.268 62.566 62.300 -0.003 0.000 1.156 95 V CB -0.592 31.224 31.823 -0.011 0.000 0.870 95 V HN 0.868 nan 8.190 nan 0.000 0.453 96 I N 1.134 121.654 120.570 -0.083 0.000 2.278 96 I HA 0.132 4.301 4.170 -0.001 0.000 0.296 96 I C 0.534 176.586 176.117 -0.109 0.000 1.121 96 I CA 0.016 61.209 61.300 -0.177 0.000 1.267 96 I CB 0.756 38.661 38.000 -0.158 0.000 1.447 96 I HN 0.203 nan 8.210 nan 0.000 0.509 97 Q N 3.408 123.145 119.800 -0.106 0.000 2.404 97 Q HA 0.091 4.430 4.340 -0.001 0.000 0.272 97 Q C -0.024 175.954 176.000 -0.037 0.000 0.939 97 Q CA 0.026 55.804 55.803 -0.042 0.000 0.945 97 Q CB -0.469 28.263 28.738 -0.010 0.000 1.195 97 Q HN 0.409 nan 8.270 nan 0.000 0.415 98 N N 0.401 119.083 118.700 -0.029 0.000 2.425 98 N HA 0.058 4.797 4.740 -0.001 0.000 0.268 98 N C 0.327 175.942 175.510 0.175 0.000 0.991 98 N CA -0.161 52.940 53.050 0.086 0.000 0.931 98 N CB 1.071 39.650 38.487 0.155 0.000 1.130 98 N HN 0.110 nan 8.380 nan 0.000 0.493 99 N N 2.802 121.588 118.700 0.142 0.000 2.094 99 N HA -0.170 4.570 4.740 -0.001 0.000 0.191 99 N C -0.098 175.486 175.510 0.123 0.000 1.023 99 N CA 1.653 54.770 53.050 0.111 0.000 0.857 99 N CB 0.084 38.617 38.487 0.077 0.000 1.013 99 N HN 0.550 nan 8.380 nan 0.000 0.426 100 D N -1.395 119.099 120.400 0.157 0.000 2.338 100 D HA 0.044 4.683 4.640 -0.001 0.000 0.239 100 D C -0.738 175.458 176.300 -0.172 0.000 1.095 100 D CA 0.500 54.498 54.000 -0.003 0.000 0.888 100 D CB -0.063 40.698 40.800 -0.066 0.000 0.899 100 D HN 0.389 nan 8.370 nan 0.000 0.525 101 Y N -0.388 119.940 120.300 0.046 0.000 2.485 101 Y HA 0.319 4.869 4.550 -0.001 0.000 0.345 101 Y C 0.441 176.361 175.900 0.034 0.000 0.998 101 Y CA -1.359 56.769 58.100 0.047 0.000 1.059 101 Y CB 1.733 40.237 38.460 0.074 0.000 1.234 101 Y HN -0.336 nan 8.280 nan 0.000 0.461 102 S N 4.879 120.677 115.700 0.164 0.000 2.498 102 S HA 0.074 4.543 4.470 -0.001 0.000 0.281 102 S C -1.449 173.220 174.600 0.115 0.000 1.265 102 S CA -1.209 57.052 58.200 0.102 0.000 1.071 102 S CB 0.423 63.662 63.200 0.066 0.000 0.894 102 S HN 0.486 nan 8.310 nan 0.000 0.491 103 P HA 0.001 nan 4.420 nan 0.000 0.225 103 P C 1.368 178.702 177.300 0.057 0.000 1.148 103 P CA 0.906 64.048 63.100 0.071 0.000 0.779 103 P CB -0.204 31.527 31.700 0.052 0.000 0.780 104 G N 0.824 109.654 108.800 0.051 0.000 2.425 104 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.213 104 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.213 104 G C 1.484 176.416 174.900 0.052 0.000 1.201 104 G CA 0.156 45.281 45.100 0.042 0.000 0.799 104 G HN 0.255 nan 8.290 nan 0.000 0.534 105 E N 1.230 121.472 120.200 0.070 0.000 2.516 105 E HA 0.106 4.456 4.350 -0.001 0.000 0.199 105 E C 2.366 179.033 176.600 0.110 0.000 1.069 105 E CA 0.585 57.038 56.400 0.088 0.000 0.876 105 E CB -0.066 29.692 29.700 0.096 0.000 0.843 105 E HN 0.322 nan 8.360 nan 0.000 0.530 106 A N 0.742 123.620 122.820 0.096 0.000 1.930 106 A HA -0.143 4.177 4.320 -0.001 0.000 0.215 106 A C 2.326 179.930 177.584 0.032 0.000 1.176 106 A CA 1.400 53.474 52.037 0.062 0.000 0.632 106 A CB -0.575 18.460 19.000 0.058 0.000 0.819 106 A HN 0.437 nan 8.150 nan 0.000 0.445 107 S N 0.379 116.100 115.700 0.035 0.000 2.392 107 S HA -0.249 4.221 4.470 -0.001 0.000 0.232 107 S C 1.880 176.492 174.600 0.019 0.000 1.041 107 S CA 2.274 60.488 58.200 0.023 0.000 1.026 107 S CB -1.631 61.584 63.200 0.024 0.000 0.845 107 S HN 0.579 nan 8.310 nan 0.000 0.465 108 T N 2.049 116.618 114.554 0.026 0.000 2.653 108 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 108 T C 0.938 175.643 174.700 0.008 0.000 1.035 108 T CA 1.530 63.642 62.100 0.020 0.000 1.154 108 T CB -0.639 68.249 68.868 0.032 0.000 0.862 108 T HN 0.673 nan 8.240 nan 0.000 0.441 109 Q N 1.550 121.354 119.800 0.006 0.000 2.394 109 Q HA 0.399 4.739 4.340 -0.001 0.000 0.248 109 Q C -0.333 175.679 176.000 0.020 0.000 0.992 109 Q CA -0.080 55.722 55.803 -0.002 0.000 0.888 109 Q CB 0.572 29.307 28.738 -0.004 0.000 1.257 109 Q HN 0.327 nan 8.270 nan 0.000 0.462 110 T N 0.198 114.764 114.554 0.020 0.000 2.856 110 T HA 0.339 4.689 4.350 -0.001 0.000 0.283 110 T C 0.838 175.570 174.700 0.052 0.000 1.008 110 T CA -0.822 61.287 62.100 0.016 0.000 0.997 110 T CB 1.143 70.006 68.868 -0.008 0.000 0.992 110 T HN 0.408 nan 8.240 nan 0.000 0.454 111 I N 1.040 121.617 120.570 0.012 0.000 2.286 111 I HA -0.062 4.108 4.170 -0.001 0.000 0.245 111 I C 0.376 176.474 176.117 -0.032 0.000 1.104 111 I CA 1.030 62.327 61.300 -0.005 0.000 1.397 111 I CB -0.755 37.202 38.000 -0.073 0.000 1.072 111 I HN 0.793 nan 8.210 nan 0.000 0.417 112 N N 1.973 120.640 118.700 -0.054 0.000 2.537 112 N HA -0.190 4.550 4.740 -0.001 0.000 0.286 112 N C -0.489 174.943 175.510 -0.131 0.000 1.245 112 N CA 0.424 53.435 53.050 -0.064 0.000 0.704 112 N CB -1.380 37.087 38.487 -0.033 0.000 0.910 112 N HN 0.242 nan 8.380 nan 0.000 0.542 113 L N 0.742 121.832 121.223 -0.223 0.000 2.417 113 L HA 0.163 4.502 4.340 -0.001 0.000 0.268 113 L C 1.348 178.238 176.870 0.034 0.000 1.158 113 L CA -0.232 54.336 54.840 -0.453 0.000 0.819 113 L CB 0.435 41.907 42.059 -0.979 0.000 1.112 113 L HN 0.293 nan 8.230 nan 0.000 0.458 114 D N 2.323 122.952 120.400 0.380 0.000 2.493 114 D HA -0.083 4.556 4.640 -0.001 0.000 0.240 114 D C -0.163 176.379 176.300 0.404 0.000 1.142 114 D CA 0.068 54.321 54.000 0.422 0.000 0.872 114 D CB 0.801 41.839 40.800 0.397 0.000 1.173 114 D HN 0.539 nan 8.370 nan 0.000 0.467 115 D N 3.381 123.871 120.400 0.150 0.000 2.690 115 D HA 0.037 4.676 4.640 -0.001 0.000 0.236 115 D C 0.989 177.270 176.300 -0.031 0.000 1.218 115 D CA -0.201 53.826 54.000 0.045 0.000 0.829 115 D CB 0.497 41.316 40.800 0.031 0.000 1.009 115 D HN 0.292 nan 8.370 nan 0.000 0.482 116 R N 0.068 120.532 120.500 -0.060 0.000 2.412 116 R HA 0.061 4.400 4.340 -0.001 0.000 0.212 116 R C 0.089 176.269 176.300 -0.199 0.000 0.878 116 R CA 0.209 56.248 56.100 -0.101 0.000 1.022 116 R CB 0.828 31.094 30.300 -0.057 0.000 1.265 116 R HN 0.152 nan 8.270 nan 0.000 0.620 117 S N -0.422 115.081 115.700 -0.328 0.000 2.542 117 S HA 0.424 4.893 4.470 -0.001 0.000 0.293 117 S C -0.927 173.233 174.600 -0.733 0.000 1.089 117 S CA -0.978 56.933 58.200 -0.482 0.000 0.961 117 S CB 1.619 64.504 63.200 -0.524 0.000 1.062 117 S HN 0.076 nan 8.310 nan 0.000 0.483 118 H N 0.605 119.478 119.070 -0.327 0.000 2.767 118 H HA 0.177 4.733 4.556 -0.001 0.000 0.316 118 H C -0.908 174.224 175.328 -0.327 0.000 1.059 118 H CA 0.253 56.166 56.048 -0.227 0.000 1.461 118 H CB 0.357 30.058 29.762 -0.102 0.000 1.475 118 H HN 0.613 nan 8.280 nan 0.000 0.531 119 W N 1.473 122.785 121.300 0.020 0.000 2.359 119 W HA 0.471 5.131 4.660 -0.000 0.000 0.344 119 W C 0.737 177.277 176.519 0.035 0.000 1.170 119 W CA -0.372 56.982 57.345 0.015 0.000 1.296 119 W CB 1.296 30.751 29.460 -0.010 0.000 1.197 119 W HN 0.624 nan 8.180 nan 0.000 0.618 120 G N -0.390 108.601 108.800 0.319 0.000 2.714 120 G HA2 0.702 4.661 3.960 -0.001 0.000 0.292 120 G HA3 0.702 4.661 3.960 -0.001 0.000 0.292 120 G C -1.380 173.614 174.900 0.157 0.000 1.308 120 G CA -0.931 44.277 45.100 0.180 0.000 0.964 120 G HN 0.693 nan 8.290 nan 0.000 0.484 121 G N -0.370 108.476 108.800 0.076 0.000 2.719 121 G HA2 0.466 4.425 3.960 -0.001 0.000 0.298 121 G HA3 0.466 4.425 3.960 -0.001 0.000 0.298 121 G C -1.699 173.205 174.900 0.006 0.000 1.433 121 G CA -0.523 44.595 45.100 0.031 0.000 1.034 121 G HN 0.464 nan 8.290 nan 0.000 0.517 122 D N 0.629 121.025 120.400 -0.008 0.000 2.371 122 D HA 0.338 4.977 4.640 -0.001 0.000 0.256 122 D C -0.181 176.093 176.300 -0.044 0.000 1.193 122 D CA 0.087 54.073 54.000 -0.024 0.000 0.881 122 D CB 1.319 42.102 40.800 -0.028 0.000 1.143 122 D HN 0.254 nan 8.370 nan 0.000 0.473 123 L N 3.651 124.848 121.223 -0.044 0.000 2.305 123 L HA 0.473 4.812 4.340 -0.001 0.000 0.284 123 L C -0.774 176.041 176.870 -0.092 0.000 1.013 123 L CA -0.369 54.436 54.840 -0.059 0.000 0.819 123 L CB 0.963 42.996 42.059 -0.043 0.000 1.227 123 L HN 0.200 nan 8.230 nan 0.000 0.417 124 K N 2.392 122.730 120.400 -0.104 0.000 2.259 124 K HA 0.782 5.102 4.320 -0.001 0.000 0.252 124 K C -1.031 175.476 176.600 -0.154 0.000 0.936 124 K CA -0.607 55.602 56.287 -0.129 0.000 0.810 124 K CB 1.948 34.400 32.500 -0.080 0.000 1.143 124 K HN 0.738 nan 8.250 nan 0.000 0.427 125 T N -0.348 114.079 114.554 -0.211 0.000 2.916 125 T HA 0.568 4.917 4.350 -0.001 0.000 0.298 125 T C -0.348 174.305 174.700 -0.078 0.000 1.031 125 T CA -0.864 61.071 62.100 -0.274 0.000 0.993 125 T CB 0.606 68.913 68.868 -0.934 0.000 1.045 125 T HN 0.389 nan 8.240 nan 0.000 0.454 126 I N 3.257 123.865 120.570 0.063 0.000 2.371 126 I HA 0.459 4.629 4.170 -0.001 0.000 0.282 126 I C -0.942 175.335 176.117 0.267 0.000 1.031 126 I CA -0.970 60.409 61.300 0.133 0.000 1.180 126 I CB 1.254 39.316 38.000 0.103 0.000 1.336 126 I HN 0.448 nan 8.210 nan 0.000 0.467 127 L N 6.703 128.111 121.223 0.309 0.000 2.329 127 L HA 0.561 4.900 4.340 -0.001 0.000 0.279 127 L C -0.873 176.188 176.870 0.319 0.000 1.014 127 L CA -0.018 55.059 54.840 0.396 0.000 0.814 127 L CB 1.350 43.731 42.059 0.538 0.000 1.257 127 L HN 0.555 nan 8.230 nan 0.000 0.424 128 H N 2.344 121.500 119.070 0.142 0.000 2.954 128 H HA 0.562 5.118 4.556 -0.001 0.000 0.361 128 H C -1.435 173.930 175.328 0.061 0.000 1.122 128 H CA -0.389 55.703 56.048 0.074 0.000 1.217 128 H CB 1.730 31.506 29.762 0.023 0.000 1.776 128 H HN 0.764 nan 8.280 nan 0.000 0.533 129 T N 1.125 115.531 114.554 -0.248 0.000 2.930 129 T HA 0.323 4.673 4.350 -0.001 0.000 0.290 129 T C 0.168 174.644 174.700 -0.374 0.000 1.052 129 T CA -1.066 60.910 62.100 -0.206 0.000 1.017 129 T CB 1.749 70.619 68.868 0.003 0.000 1.137 129 T HN 0.735 nan 8.240 nan 0.000 0.511 130 N N 0.158 118.746 118.700 -0.187 0.000 2.433 130 N HA 0.201 4.941 4.740 -0.001 0.000 0.270 130 N C -0.274 175.106 175.510 -0.217 0.000 1.354 130 N CA -0.256 52.690 53.050 -0.174 0.000 0.889 130 N CB 0.543 38.918 38.487 -0.186 0.000 1.285 130 N HN 0.577 nan 8.380 nan 0.000 0.503 131 M N 2.696 122.050 119.600 -0.410 0.000 2.219 131 M HA 0.232 4.711 4.480 -0.001 0.000 0.353 131 M C -2.279 173.642 176.300 -0.631 0.000 1.304 131 M CA -1.015 53.698 55.300 -0.979 0.000 1.115 131 M CB 0.785 32.948 32.600 -0.729 0.000 1.664 131 M HN -0.022 nan 8.290 nan 0.000 0.459 132 P HA 0.149 nan 4.420 nan 0.000 0.312 132 P C -0.297 176.729 177.300 -0.457 0.000 1.308 132 P CA -0.339 62.353 63.100 -0.680 0.000 0.743 132 P CB 0.500 31.816 31.700 -0.641 0.000 1.364 133 N N -0.836 117.607 118.700 -0.429 0.000 2.191 133 N HA -0.018 4.721 4.740 -0.001 0.000 0.193 133 N C -0.047 175.405 175.510 -0.096 0.000 1.053 133 N CA 0.573 53.537 53.050 -0.143 0.000 0.943 133 N CB -0.752 37.746 38.487 0.017 0.000 1.119 133 N HN -0.017 nan 8.380 nan 0.000 0.487 134 V N 2.001 121.891 119.914 -0.040 0.000 2.557 134 V HA 0.034 4.154 4.120 -0.001 0.000 0.301 134 V C 0.039 176.147 176.094 0.023 0.000 1.026 134 V CA 0.457 62.767 62.300 0.017 0.000 1.137 134 V CB 0.022 31.876 31.823 0.051 0.000 0.917 134 V HN 0.499 nan 8.190 nan 0.000 0.484 135 N N 2.683 121.425 118.700 0.070 0.000 2.710 135 N HA 0.271 5.011 4.740 -0.001 0.000 0.257 135 N C 0.490 176.082 175.510 0.136 0.000 1.327 135 N CA -0.656 52.460 53.050 0.111 0.000 0.861 135 N CB 1.846 40.393 38.487 0.100 0.000 1.532 135 N HN 0.525 nan 8.380 nan 0.000 0.499 136 E N 0.518 120.807 120.200 0.147 0.000 2.008 136 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 136 E C 1.128 177.800 176.600 0.121 0.000 0.986 136 E CA 0.870 57.330 56.400 0.099 0.000 0.807 136 E CB -0.107 29.631 29.700 0.064 0.000 0.766 136 E HN 0.600 nan 8.360 nan 0.000 0.450 137 F N 0.592 120.575 119.950 0.055 0.000 2.269 137 F HA -0.181 4.345 4.527 -0.001 0.000 0.301 137 F C 2.067 178.013 175.800 0.243 0.000 1.082 137 F CA 0.537 58.584 58.000 0.079 0.000 1.360 137 F CB 0.255 39.297 39.000 0.072 0.000 1.041 137 F HN 0.027 nan 8.300 nan 0.000 0.512 138 M N -0.573 119.056 119.600 0.049 0.000 2.618 138 M HA 0.026 4.505 4.480 -0.001 0.000 0.240 138 M C -0.072 176.359 176.300 0.219 0.000 1.123 138 M CA 0.357 55.659 55.300 0.004 0.000 1.060 138 M CB -1.405 31.186 32.600 -0.015 0.000 1.535 138 M HN 0.177 nan 8.290 nan 0.000 0.507 139 F N 0.439 120.368 119.950 -0.035 0.000 3.039 139 F HA -0.273 4.254 4.527 -0.001 0.000 0.287 139 F C 0.587 176.424 175.800 0.062 0.000 0.956 139 F CA 1.019 59.038 58.000 0.032 0.000 0.971 139 F CB -2.558 36.460 39.000 0.029 0.000 0.943 139 F HN 0.145 nan 8.300 nan 0.000 0.766 140 T N -3.855 110.837 114.554 0.230 0.000 3.091 140 T HA 0.121 4.470 4.350 -0.001 0.000 0.277 140 T C 1.161 175.959 174.700 0.163 0.000 0.996 140 T CA 0.281 62.472 62.100 0.153 0.000 0.897 140 T CB -0.004 68.909 68.868 0.075 0.000 1.109 140 T HN 0.609 nan 8.240 nan 0.000 0.534 141 N N 0.611 119.424 118.700 0.189 0.000 2.322 141 N HA 0.121 4.861 4.740 -0.001 0.000 0.181 141 N C 0.209 175.865 175.510 0.244 0.000 1.088 141 N CA -0.209 52.952 53.050 0.184 0.000 0.885 141 N CB 0.287 38.857 38.487 0.138 0.000 1.013 141 N HN 0.101 nan 8.380 nan 0.000 0.472 142 K N 0.127 120.697 120.400 0.284 0.000 2.318 142 K HA 0.428 4.747 4.320 -0.001 0.000 0.249 142 K C -1.587 175.287 176.600 0.457 0.000 0.942 142 K CA -0.944 55.530 56.287 0.312 0.000 0.808 142 K CB 1.943 34.573 32.500 0.217 0.000 1.189 142 K HN 0.202 nan 8.250 nan 0.000 0.428 143 F N -1.153 118.938 119.950 0.236 0.000 2.654 143 F HA 0.556 5.083 4.527 -0.001 0.000 0.308 143 F C -1.391 174.548 175.800 0.232 0.000 1.108 143 F CA -1.202 56.907 58.000 0.181 0.000 0.957 143 F CB 1.342 40.429 39.000 0.144 0.000 1.309 143 F HN 0.162 nan 8.300 nan 0.000 0.446 144 K N 2.153 122.613 120.400 0.100 0.000 2.123 144 K HA 0.914 5.233 4.320 -0.001 0.000 0.259 144 K C -1.016 175.740 176.600 0.259 0.000 0.960 144 K CA -0.999 55.330 56.287 0.070 0.000 0.872 144 K CB 2.015 34.499 32.500 -0.028 0.000 1.079 144 K HN 0.956 nan 8.250 nan 0.000 0.440 145 A N 1.654 124.787 122.820 0.522 0.000 2.612 145 A HA 0.468 4.788 4.320 -0.001 0.000 0.293 145 A C -1.538 176.327 177.584 0.470 0.000 1.075 145 A CA -0.803 51.586 52.037 0.586 0.000 0.680 145 A CB 1.463 20.669 19.000 0.343 0.000 1.279 145 A HN 0.729 nan 8.150 nan 0.000 0.411 146 R N 1.044 121.530 120.500 -0.023 0.000 2.254 146 R HA 0.633 4.973 4.340 -0.001 0.000 0.318 146 R C -1.268 174.983 176.300 -0.082 0.000 1.031 146 R CA -0.113 55.771 56.100 -0.360 0.000 0.905 146 R CB 0.754 30.409 30.300 -1.075 0.000 1.050 146 R HN 0.562 nan 8.270 nan 0.000 0.456 147 V N 5.032 124.966 119.914 0.034 0.000 3.074 147 V HA 0.405 4.524 4.120 -0.001 0.000 0.314 147 V C 0.110 176.300 176.094 0.160 0.000 1.117 147 V CA -1.235 61.146 62.300 0.134 0.000 1.014 147 V CB 2.042 33.986 31.823 0.202 0.000 1.057 147 V HN 0.859 nan 8.190 nan 0.000 0.438 148 M N 1.179 120.834 119.600 0.092 0.000 2.249 148 M HA 0.588 5.068 4.480 -0.001 0.000 0.351 148 M C -0.394 175.878 176.300 -0.047 0.000 1.180 148 M CA 0.158 55.345 55.300 -0.188 0.000 1.127 148 M CB 1.443 33.730 32.600 -0.522 0.000 1.546 148 M HN 0.279 nan 8.290 nan 0.000 0.461 149 V N 1.066 120.923 119.914 -0.095 0.000 2.806 149 V HA 0.136 4.256 4.120 -0.001 0.000 0.239 149 V C 0.787 176.824 176.094 -0.094 0.000 1.113 149 V CA 0.635 62.910 62.300 -0.041 0.000 1.137 149 V CB 0.980 32.797 31.823 -0.009 0.000 0.865 149 V HN 0.950 nan 8.190 nan 0.000 0.482 150 S N 0.367 115.987 115.700 -0.134 0.000 2.442 150 S HA 0.558 5.028 4.470 -0.001 0.000 0.297 150 S C -0.176 174.337 174.600 -0.145 0.000 1.131 150 S CA -0.396 57.732 58.200 -0.120 0.000 1.092 150 S CB 1.093 64.237 63.200 -0.094 0.000 0.998 150 S HN 0.408 nan 8.310 nan 0.000 0.478 151 R N 3.075 123.514 120.500 -0.102 0.000 2.278 151 R HA 0.348 4.687 4.340 -0.001 0.000 0.322 151 R C -0.199 176.063 176.300 -0.063 0.000 1.058 151 R CA 0.021 56.069 56.100 -0.086 0.000 0.991 151 R CB 0.195 30.462 30.300 -0.055 0.000 1.140 151 R HN 0.651 nan 8.270 nan 0.000 0.518 152 S N 4.358 120.019 115.700 -0.065 0.000 3.371 152 S HA -0.159 4.310 4.470 -0.001 0.000 0.353 152 S C 0.751 175.331 174.600 -0.033 0.000 0.849 152 S CA 0.282 58.457 58.200 -0.042 0.000 1.356 152 S CB -0.720 62.461 63.200 -0.032 0.000 1.217 152 S HN 0.806 nan 8.310 nan 0.000 0.559 153 L N 3.211 124.415 121.223 -0.032 0.000 2.450 153 L HA -0.045 4.295 4.340 -0.001 0.000 0.224 153 L C 1.535 178.394 176.870 -0.018 0.000 1.149 153 L CA 1.129 55.953 54.840 -0.025 0.000 0.816 153 L CB -0.760 41.284 42.059 -0.024 0.000 0.932 153 L HN 0.971 nan 8.230 nan 0.000 0.449 154 T N -0.603 113.941 114.554 -0.017 0.000 4.141 154 T HA -0.155 4.194 4.350 -0.001 0.000 0.352 154 T C 0.197 174.892 174.700 -0.009 0.000 0.756 154 T CA 0.251 62.344 62.100 -0.012 0.000 1.958 154 T CB -1.433 67.428 68.868 -0.011 0.000 1.848 154 T HN 0.214 nan 8.240 nan 0.000 0.872 155 K N 2.555 122.950 120.400 -0.008 0.000 2.361 155 K HA 0.070 4.390 4.320 -0.001 0.000 0.283 155 K C 0.558 177.156 176.600 -0.004 0.000 1.078 155 K CA 0.374 56.658 56.287 -0.006 0.000 1.041 155 K CB 0.128 32.625 32.500 -0.005 0.000 0.932 155 K HN 0.541 nan 8.250 nan 0.000 0.462 156 D N 2.791 123.189 120.400 -0.004 0.000 2.718 156 D HA -0.168 4.472 4.640 -0.001 0.000 0.242 156 D C -0.698 175.600 176.300 -0.002 0.000 1.123 156 D CA 0.580 54.579 54.000 -0.002 0.000 0.690 156 D CB -0.929 39.870 40.800 -0.001 0.000 1.059 156 D HN 0.637 nan 8.370 nan 0.000 0.429 157 K N -0.136 120.262 120.400 -0.003 0.000 5.163 157 K HA -0.265 4.055 4.320 -0.001 0.000 0.320 157 K C 0.098 176.696 176.600 -0.002 0.000 0.822 157 K CA 1.298 57.583 56.287 -0.003 0.000 0.981 157 K CB -0.413 32.086 32.500 -0.003 0.000 1.877 157 K HN 0.651 nan 8.250 nan 0.000 0.400 158 Q N 0.750 120.548 119.800 -0.003 0.000 2.599 158 Q HA 0.192 4.532 4.340 -0.001 0.000 0.248 158 Q C -0.998 175.000 176.000 -0.004 0.000 0.964 158 Q CA -0.770 55.032 55.803 -0.002 0.000 1.011 158 Q CB 1.430 30.169 28.738 0.000 0.000 1.592 158 Q HN 0.227 nan 8.270 nan 0.000 0.443 159 V N 1.329 121.241 119.914 -0.003 0.000 2.377 159 V HA 0.322 4.442 4.120 -0.001 0.000 0.254 159 V C -0.057 176.033 176.094 -0.006 0.000 1.060 159 V CA 0.097 62.393 62.300 -0.007 0.000 1.068 159 V CB 0.397 32.217 31.823 -0.006 0.000 1.113 159 V HN 0.765 nan 8.190 nan 0.000 0.484 160 E N 5.455 125.647 120.200 -0.013 0.000 2.103 160 E HA 0.480 4.830 4.350 -0.001 0.000 0.254 160 E C -0.494 176.083 176.600 -0.038 0.000 0.940 160 E CA -0.695 55.697 56.400 -0.013 0.000 0.771 160 E CB 1.024 30.720 29.700 -0.008 0.000 1.153 160 E HN 0.929 nan 8.360 nan 0.000 0.428 161 L N 1.851 123.043 121.223 -0.053 0.000 2.276 161 L HA 0.552 4.891 4.340 -0.001 0.000 0.286 161 L C -0.173 176.575 176.870 -0.202 0.000 1.061 161 L CA -0.853 53.901 54.840 -0.143 0.000 0.807 161 L CB 0.885 42.845 42.059 -0.166 0.000 1.177 161 L HN 0.028 nan 8.230 nan 0.000 0.429 162 K N 2.866 123.116 120.400 -0.251 0.000 2.106 162 K HA 0.552 4.872 4.320 -0.001 0.000 0.246 162 K C -1.311 175.026 176.600 -0.437 0.000 0.987 162 K CA -0.677 55.493 56.287 -0.195 0.000 0.904 162 K CB 1.417 33.865 32.500 -0.087 0.000 1.071 162 K HN 0.475 nan 8.250 nan 0.000 0.453 163 Y N -0.264 120.008 120.300 -0.046 0.000 2.576 163 Y HA 0.362 4.912 4.550 -0.001 0.000 0.346 163 Y C -0.047 175.813 175.900 -0.067 0.000 1.018 163 Y CA -0.825 57.229 58.100 -0.078 0.000 1.050 163 Y CB 2.395 40.772 38.460 -0.137 0.000 1.280 163 Y HN 0.418 nan 8.280 nan 0.000 0.474 164 E N 0.654 120.905 120.200 0.084 0.000 2.375 164 E HA 0.145 4.494 4.350 -0.001 0.000 0.280 164 E C -2.017 174.610 176.600 0.045 0.000 0.972 164 E CA -0.821 55.616 56.400 0.062 0.000 0.782 164 E CB 1.743 31.482 29.700 0.064 0.000 1.229 164 E HN 0.639 nan 8.360 nan 0.000 0.439 165 W N 2.402 123.699 121.300 -0.005 0.000 2.287 165 W HA 0.401 5.061 4.660 -0.001 0.000 0.313 165 W C 0.202 176.636 176.519 -0.141 0.000 1.267 165 W CA -0.339 56.978 57.345 -0.046 0.000 1.201 165 W CB 0.945 30.389 29.460 -0.027 0.000 1.196 165 W HN 0.137 nan 8.180 nan 0.000 0.536 166 V N 0.114 120.032 119.914 0.006 0.000 3.078 166 V HA 0.444 4.563 4.120 -0.001 0.000 0.311 166 V C -0.888 174.882 176.094 -0.540 0.000 1.138 166 V CA -1.579 60.509 62.300 -0.353 0.000 1.007 166 V CB 1.916 33.344 31.823 -0.659 0.000 1.045 166 V HN 0.520 nan 8.190 nan 0.000 0.432 167 E N 1.501 121.411 120.200 -0.483 0.000 2.035 167 E HA 0.502 4.852 4.350 -0.001 0.000 0.271 167 E C -1.384 174.964 176.600 -0.419 0.000 0.953 167 E CA -0.509 55.685 56.400 -0.343 0.000 0.777 167 E CB 0.618 30.230 29.700 -0.147 0.000 1.104 167 E HN 0.571 nan 8.360 nan 0.000 0.408 168 F N 1.521 121.254 119.950 -0.362 0.000 2.410 168 F HA 0.273 4.800 4.527 -0.001 0.000 0.334 168 F C 0.902 176.645 175.800 -0.096 0.000 1.134 168 F CA -0.194 57.639 58.000 -0.278 0.000 1.227 168 F CB 1.245 39.894 39.000 -0.584 0.000 1.194 168 F HN 0.137 nan 8.300 nan 0.000 0.571 169 T N 3.236 117.914 114.554 0.206 0.000 2.876 169 T HA 0.685 5.035 4.350 -0.001 0.000 0.289 169 T C -0.539 174.296 174.700 0.226 0.000 1.014 169 T CA -0.706 61.505 62.100 0.184 0.000 0.986 169 T CB 1.437 70.372 68.868 0.111 0.000 1.021 169 T HN 0.315 nan 8.240 nan 0.000 0.458 170 L N 3.072 124.422 121.223 0.212 0.000 2.303 170 L HA 0.575 4.915 4.340 -0.001 0.000 0.266 170 L C -1.860 175.099 176.870 0.149 0.000 1.011 170 L CA -2.356 52.603 54.840 0.199 0.000 0.818 170 L CB 1.994 44.180 42.059 0.211 0.000 1.326 170 L HN 0.436 nan 8.230 nan 0.000 0.435 171 P HA 0.203 nan 4.420 nan 0.000 0.205 171 P C 0.084 177.445 177.300 0.101 0.000 1.858 171 P CA -0.216 62.953 63.100 0.115 0.000 0.998 171 P CB 0.783 32.555 31.700 0.120 0.000 1.875 172 E N 0.858 121.115 120.200 0.095 0.000 4.114 172 E HA -0.356 3.994 4.350 -0.001 0.000 0.212 172 E C 1.793 178.420 176.600 0.045 0.000 1.297 172 E CA 2.440 58.886 56.400 0.076 0.000 2.157 172 E CB -1.847 27.903 29.700 0.084 0.000 1.888 172 E HN 0.464 nan 8.360 nan 0.000 0.266 173 G N 2.927 111.756 108.800 0.049 0.000 2.556 173 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.220 173 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.220 173 G C 0.669 175.596 174.900 0.046 0.000 1.156 173 G CA 1.369 46.482 45.100 0.021 0.000 0.766 173 G HN 0.534 nan 8.290 nan 0.000 0.583 174 N N 0.083 118.879 118.700 0.160 0.000 2.374 174 N HA 0.105 4.844 4.740 -0.001 0.000 0.241 174 N C -0.448 175.271 175.510 0.348 0.000 1.262 174 N CA 0.656 53.873 53.050 0.278 0.000 0.880 174 N CB 0.078 38.654 38.487 0.149 0.000 1.105 174 N HN 0.748 nan 8.380 nan 0.000 0.438 175 Y N -3.166 117.120 120.300 -0.023 0.000 2.681 175 Y HA 0.407 4.957 4.550 -0.001 0.000 0.280 175 Y C -1.332 174.544 175.900 -0.041 0.000 1.079 175 Y CA -1.017 57.064 58.100 -0.032 0.000 1.292 175 Y CB -0.055 38.388 38.460 -0.029 0.000 1.126 175 Y HN 0.340 nan 8.280 nan 0.000 0.553 176 S N 1.398 117.107 115.700 0.014 0.000 2.568 176 S HA 0.154 4.624 4.470 -0.001 0.000 0.293 176 S C 0.712 175.284 174.600 -0.046 0.000 1.089 176 S CA -0.777 57.390 58.200 -0.054 0.000 0.945 176 S CB 2.210 65.353 63.200 -0.096 0.000 1.077 176 S HN 0.774 nan 8.310 nan 0.000 0.485 177 E N 1.277 121.447 120.200 -0.049 0.000 2.208 177 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 177 E C 0.801 177.356 176.600 -0.075 0.000 0.988 177 E CA 1.366 57.731 56.400 -0.059 0.000 0.828 177 E CB 0.025 29.696 29.700 -0.049 0.000 0.763 177 E HN 0.661 nan 8.360 nan 0.000 0.478 178 T N 1.271 115.778 114.554 -0.078 0.000 2.755 178 T HA -0.058 4.291 4.350 -0.001 0.000 0.251 178 T C 1.843 176.474 174.700 -0.116 0.000 1.044 178 T CA 1.068 63.115 62.100 -0.087 0.000 1.154 178 T CB -0.266 68.550 68.868 -0.086 0.000 0.866 178 T HN 0.162 nan 8.240 nan 0.000 0.416 179 M N 1.425 120.938 119.600 -0.146 0.000 2.460 179 M HA -0.089 4.391 4.480 -0.001 0.000 0.263 179 M C 1.673 177.865 176.300 -0.179 0.000 1.071 179 M CA 1.164 56.327 55.300 -0.228 0.000 1.096 179 M CB -0.487 31.967 32.600 -0.243 0.000 1.408 179 M HN 0.196 nan 8.290 nan 0.000 0.463 180 T N 1.336 115.825 114.554 -0.109 0.000 2.915 180 T HA -0.057 4.293 4.350 -0.001 0.000 0.269 180 T C 1.745 176.385 174.700 -0.100 0.000 1.071 180 T CA 0.927 62.981 62.100 -0.077 0.000 1.132 180 T CB -0.099 68.728 68.868 -0.068 0.000 0.878 180 T HN 0.304 nan 8.240 nan 0.000 0.479 181 I N 2.429 122.929 120.570 -0.117 0.000 2.133 181 I HA -0.110 4.060 4.170 -0.001 0.000 0.238 181 I C 2.096 178.222 176.117 0.014 0.000 1.074 181 I CA 1.376 62.619 61.300 -0.095 0.000 1.342 181 I CB -1.394 36.567 38.000 -0.065 0.000 1.053 181 I HN 0.201 nan 8.210 nan 0.000 0.404 182 D N 1.049 121.429 120.400 -0.034 0.000 2.190 182 D HA -0.179 4.460 4.640 -0.001 0.000 0.200 182 D C 2.220 178.585 176.300 0.109 0.000 0.992 182 D CA 0.876 54.872 54.000 -0.007 0.000 0.854 182 D CB -0.321 40.309 40.800 -0.284 0.000 0.936 182 D HN 0.142 nan 8.370 nan 0.000 0.462 183 L N 0.030 121.275 121.223 0.036 0.000 2.056 183 L HA -0.010 4.330 4.340 -0.001 0.000 0.207 183 L C 2.386 179.405 176.870 0.249 0.000 1.078 183 L CA 1.289 56.228 54.840 0.165 0.000 0.749 183 L CB -0.932 41.186 42.059 0.099 0.000 0.901 183 L HN 0.077 nan 8.230 nan 0.000 0.433 184 M N -0.903 118.832 119.600 0.224 0.000 2.086 184 M HA -0.201 4.279 4.480 -0.001 0.000 0.261 184 M C 1.964 178.495 176.300 0.384 0.000 1.067 184 M CA 1.425 56.944 55.300 0.364 0.000 1.116 184 M CB -0.555 32.147 32.600 0.170 0.000 1.348 184 M HN 0.227 nan 8.290 nan 0.000 0.407 185 N N 0.815 119.718 118.700 0.339 0.000 2.094 185 N HA -0.200 4.539 4.740 -0.001 0.000 0.191 185 N C 1.421 177.075 175.510 0.240 0.000 1.023 185 N CA 1.836 55.037 53.050 0.251 0.000 0.857 185 N CB -0.766 37.861 38.487 0.233 0.000 1.013 185 N HN 0.463 nan 8.380 nan 0.000 0.426 186 N N 0.864 119.736 118.700 0.287 0.000 2.069 186 N HA -0.128 4.612 4.740 -0.001 0.000 0.191 186 N C 1.312 176.981 175.510 0.265 0.000 1.031 186 N CA 1.888 55.100 53.050 0.272 0.000 0.852 186 N CB -0.248 38.449 38.487 0.349 0.000 1.018 186 N HN 0.164 nan 8.380 nan 0.000 0.423 187 A N -0.582 122.421 122.820 0.305 0.000 2.238 187 A HA 0.228 4.547 4.320 -0.001 0.000 0.208 187 A C 1.961 179.807 177.584 0.436 0.000 1.177 187 A CA 0.055 52.306 52.037 0.357 0.000 0.804 187 A CB -0.514 18.714 19.000 0.380 0.000 0.823 187 A HN 0.441 nan 8.150 nan 0.000 0.482 188 I N -1.034 119.691 120.570 0.259 0.000 2.500 188 I HA -0.131 4.038 4.170 -0.001 0.000 0.252 188 I C 2.043 178.391 176.117 0.385 0.000 1.142 188 I CA 0.780 62.222 61.300 0.236 0.000 1.451 188 I CB 0.074 38.083 38.000 0.015 0.000 1.093 188 I HN 0.164 nan 8.210 nan 0.000 0.430 189 V N -0.043 120.060 119.914 0.314 0.000 2.500 189 V HA -0.116 4.003 4.120 -0.001 0.000 0.243 189 V C 2.232 178.516 176.094 0.317 0.000 1.039 189 V CA 1.195 63.681 62.300 0.310 0.000 1.053 189 V CB -0.443 31.514 31.823 0.224 0.000 0.695 189 V HN 0.325 nan 8.190 nan 0.000 0.463 190 E N -0.374 119.988 120.200 0.269 0.000 2.267 190 E HA -0.285 4.065 4.350 -0.001 0.000 0.197 190 E C 2.009 178.737 176.600 0.213 0.000 0.998 190 E CA 1.459 57.987 56.400 0.214 0.000 0.830 190 E CB -0.069 29.749 29.700 0.196 0.000 0.751 190 E HN 0.750 nan 8.360 nan 0.000 0.491 191 H N -0.544 118.662 119.070 0.227 0.000 2.317 191 H HA -0.148 4.407 4.556 -0.001 0.000 0.304 191 H C 1.899 177.330 175.328 0.172 0.000 1.067 191 H CA 1.804 57.959 56.048 0.177 0.000 1.352 191 H CB -0.458 29.440 29.762 0.226 0.000 1.398 191 H HN 0.169 nan 8.280 nan 0.000 0.510 192 Y N 0.930 121.270 120.300 0.067 0.000 2.102 192 Y HA -0.258 4.292 4.550 -0.001 0.000 0.280 192 Y C 2.077 177.957 175.900 -0.034 0.000 1.178 192 Y CA 2.004 60.116 58.100 0.020 0.000 1.146 192 Y CB -0.442 38.099 38.460 0.136 0.000 0.968 192 Y HN 0.258 nan 8.280 nan 0.000 0.504 193 L N 0.198 121.488 121.223 0.113 0.000 2.456 193 L HA -0.170 4.170 4.340 -0.001 0.000 0.224 193 L C 2.351 179.167 176.870 -0.091 0.000 1.148 193 L CA 1.453 56.300 54.840 0.011 0.000 0.825 193 L CB -0.397 41.731 42.059 0.114 0.000 0.937 193 L HN 0.254 nan 8.230 nan 0.000 0.450 194 K N -1.157 119.157 120.400 -0.143 0.000 2.335 194 K HA 0.040 4.360 4.320 -0.001 0.000 0.195 194 K C 1.510 177.975 176.600 -0.224 0.000 1.058 194 K CA 0.367 56.560 56.287 -0.156 0.000 0.988 194 K CB 0.842 33.274 32.500 -0.113 0.000 0.880 194 K HN 0.033 nan 8.250 nan 0.000 0.513 195 V N -1.540 118.166 119.914 -0.347 0.000 3.193 195 V HA 0.101 4.221 4.120 -0.001 0.000 0.237 195 V C 1.698 177.608 176.094 -0.306 0.000 1.447 195 V CA 0.845 62.960 62.300 -0.308 0.000 1.227 195 V CB 0.815 32.458 31.823 -0.300 0.000 1.040 195 V HN 0.399 nan 8.190 nan 0.000 0.458 196 G N 2.038 110.602 108.800 -0.393 0.000 2.511 196 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.216 196 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.216 196 G C 1.438 176.029 174.900 -0.514 0.000 1.218 196 G CA 1.409 46.279 45.100 -0.383 0.000 0.788 196 G HN 0.609 nan 8.290 nan 0.000 0.560 197 R N 0.010 119.953 120.500 -0.928 0.000 2.120 197 R HA -0.009 4.331 4.340 -0.001 0.000 0.234 197 R C 2.301 178.437 176.300 -0.273 0.000 1.123 197 R CA 1.516 57.264 56.100 -0.586 0.000 0.975 197 R CB -0.502 29.456 30.300 -0.570 0.000 0.866 197 R HN 0.328 nan 8.270 nan 0.000 0.446 198 Q N 0.696 120.340 119.800 -0.260 0.000 2.224 198 Q HA -0.010 4.330 4.340 -0.001 0.000 0.203 198 Q C 0.544 176.469 176.000 -0.124 0.000 0.970 198 Q CA 0.842 56.550 55.803 -0.158 0.000 0.865 198 Q CB -0.120 28.529 28.738 -0.147 0.000 0.922 198 Q HN 0.505 nan 8.270 nan 0.000 0.445 199 N N -0.601 118.016 118.700 -0.138 0.000 2.389 199 N HA 0.166 4.906 4.740 -0.001 0.000 0.260 199 N C 0.373 175.828 175.510 -0.091 0.000 1.191 199 N CA 0.645 53.635 53.050 -0.100 0.000 0.885 199 N CB 1.505 39.938 38.487 -0.090 0.000 1.162 199 N HN 0.394 nan 8.380 nan 0.000 0.512 200 G N -0.344 108.401 108.800 -0.091 0.000 2.213 200 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 200 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 200 G C 0.113 174.993 174.900 -0.034 0.000 0.992 200 G CA -0.287 44.778 45.100 -0.057 0.000 0.632 200 G HN 0.187 nan 8.290 nan 0.000 0.511 201 V N 2.763 122.649 119.914 -0.046 0.000 2.521 201 V HA 0.429 4.549 4.120 -0.001 0.000 0.286 201 V C 1.306 177.536 176.094 0.227 0.000 1.034 201 V CA -0.076 62.258 62.300 0.058 0.000 1.045 201 V CB 1.126 32.999 31.823 0.084 0.000 0.974 201 V HN 0.375 nan 8.190 nan 0.000 0.480 202 L N 3.811 125.141 121.223 0.178 0.000 2.453 202 L HA 0.229 4.568 4.340 -0.001 0.000 0.261 202 L C 1.579 178.531 176.870 0.138 0.000 1.179 202 L CA 0.097 55.038 54.840 0.168 0.000 0.813 202 L CB 0.317 42.414 42.059 0.064 0.000 1.110 202 L HN 0.644 nan 8.230 nan 0.000 0.466 203 E N 0.166 120.385 120.200 0.033 0.000 2.204 203 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 203 E C 1.756 178.188 176.600 -0.281 0.000 0.989 203 E CA 1.216 57.467 56.400 -0.249 0.000 0.824 203 E CB 0.186 29.815 29.700 -0.118 0.000 0.756 203 E HN 0.757 nan 8.360 nan 0.000 0.477 204 S N 0.010 115.648 115.700 -0.102 0.000 2.607 204 S HA -0.026 4.443 4.470 -0.001 0.000 0.224 204 S C 0.599 175.177 174.600 -0.037 0.000 0.969 204 S CA 0.346 58.524 58.200 -0.038 0.000 0.927 204 S CB 0.257 63.466 63.200 0.015 0.000 0.772 204 S HN 0.062 nan 8.310 nan 0.000 0.533 205 D N 1.050 121.418 120.400 -0.053 0.000 2.892 205 D HA 0.301 4.941 4.640 -0.001 0.000 0.291 205 D C 0.686 176.977 176.300 -0.015 0.000 1.341 205 D CA -0.261 53.721 54.000 -0.031 0.000 0.844 205 D CB 0.439 41.237 40.800 -0.002 0.000 1.093 205 D HN 0.247 nan 8.370 nan 0.000 0.480 206 I N 0.571 121.113 120.570 -0.047 0.000 2.133 206 I HA -0.071 4.098 4.170 -0.001 0.000 0.238 206 I C 2.029 178.156 176.117 0.016 0.000 1.074 206 I CA 1.709 62.961 61.300 -0.080 0.000 1.342 206 I CB -0.789 37.089 38.000 -0.205 0.000 1.053 206 I HN 0.352 nan 8.210 nan 0.000 0.404 207 G N 0.385 109.211 108.800 0.043 0.000 3.110 207 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.238 207 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.238 207 G C 0.139 174.997 174.900 -0.070 0.000 1.647 207 G CA 0.074 45.178 45.100 0.007 0.000 1.146 207 G HN 0.515 nan 8.290 nan 0.000 0.545 208 V N -0.373 119.473 119.914 -0.113 0.000 2.470 208 V HA 0.738 4.857 4.120 -0.001 0.000 0.276 208 V C 0.094 175.970 176.094 -0.364 0.000 1.040 208 V CA 0.157 62.304 62.300 -0.255 0.000 1.008 208 V CB 1.321 32.970 31.823 -0.289 0.000 0.990 208 V HN 0.797 nan 8.190 nan 0.000 0.477 209 K N 5.136 125.290 120.400 -0.409 0.000 2.513 209 K HA 0.482 4.802 4.320 -0.001 0.000 0.251 209 K C -1.711 174.725 176.600 -0.274 0.000 0.939 209 K CA -0.540 55.536 56.287 -0.352 0.000 0.793 209 K CB 2.016 34.385 32.500 -0.218 0.000 1.241 209 K HN 0.715 nan 8.250 nan 0.000 0.431 210 F N 2.779 122.721 119.950 -0.013 0.000 2.313 210 F HA 0.292 4.819 4.527 -0.001 0.000 0.369 210 F C 0.952 176.758 175.800 0.010 0.000 1.109 210 F CA -0.747 57.249 58.000 -0.007 0.000 1.132 210 F CB 0.895 39.873 39.000 -0.037 0.000 1.291 210 F HN 0.264 nan 8.300 nan 0.000 0.496 211 D N 0.666 121.182 120.400 0.194 0.000 2.549 211 D HA 0.312 4.951 4.640 -0.001 0.000 0.270 211 D C 0.852 177.243 176.300 0.152 0.000 1.181 211 D CA 0.003 54.099 54.000 0.160 0.000 1.070 211 D CB 2.074 42.993 40.800 0.198 0.000 1.154 211 D HN 0.522 nan 8.370 nan 0.000 0.602 212 T N -3.172 111.447 114.554 0.109 0.000 3.041 212 T HA 0.158 4.508 4.350 -0.001 0.000 0.276 212 T C 0.674 175.369 174.700 -0.008 0.000 0.948 212 T CA -0.426 61.700 62.100 0.043 0.000 0.885 212 T CB 0.454 69.314 68.868 -0.014 0.000 1.175 212 T HN 0.436 nan 8.240 nan 0.000 0.529 213 R N 1.094 121.602 120.500 0.013 0.000 2.643 213 R HA 0.511 4.850 4.340 -0.001 0.000 0.272 213 R C -0.613 175.578 176.300 -0.182 0.000 0.995 213 R CA -0.834 55.200 56.100 -0.109 0.000 1.032 213 R CB 0.502 30.666 30.300 -0.228 0.000 1.126 213 R HN -0.002 nan 8.270 nan 0.000 0.505 214 N N 1.721 120.207 118.700 -0.357 0.000 2.420 214 N HA 0.001 4.741 4.740 -0.001 0.000 0.262 214 N C -0.229 175.104 175.510 -0.294 0.000 1.144 214 N CA -0.034 52.807 53.050 -0.349 0.000 0.952 214 N CB 0.350 38.451 38.487 -0.644 0.000 1.081 214 N HN 0.541 nan 8.380 nan 0.000 0.480 215 F N 2.447 122.280 119.950 -0.195 0.000 2.179 215 F HA 0.190 4.717 4.527 -0.001 0.000 0.292 215 F C 2.233 177.957 175.800 -0.126 0.000 1.089 215 F CA 0.543 58.395 58.000 -0.246 0.000 1.295 215 F CB -0.008 38.768 39.000 -0.375 0.000 1.041 215 F HN 0.435 nan 8.300 nan 0.000 0.487 216 R N 0.588 121.052 120.500 -0.061 0.000 2.366 216 R HA -0.033 4.307 4.340 -0.001 0.000 0.201 216 R C -0.418 175.832 176.300 -0.083 0.000 1.057 216 R CA 0.004 55.963 56.100 -0.236 0.000 1.086 216 R CB -0.718 29.070 30.300 -0.854 0.000 0.914 216 R HN 0.073 nan 8.270 nan 0.000 0.476 217 L N -0.322 120.878 121.223 -0.039 0.000 2.265 217 L HA 0.262 4.602 4.340 -0.001 0.000 0.288 217 L C 1.050 177.940 176.870 0.034 0.000 1.058 217 L CA 0.903 55.719 54.840 -0.040 0.000 0.809 217 L CB 1.520 43.456 42.059 -0.205 0.000 1.179 217 L HN 0.344 nan 8.230 nan 0.000 0.429 218 G N 3.739 112.581 108.800 0.071 0.000 2.259 218 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.217 218 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.217 218 G C 0.372 175.354 174.900 0.136 0.000 1.001 218 G CA -0.010 45.138 45.100 0.081 0.000 0.627 218 G HN 0.527 nan 8.290 nan 0.000 0.501 219 F N 3.030 122.988 119.950 0.013 0.000 2.629 219 F HA 0.435 4.961 4.527 -0.001 0.000 0.377 219 F C 0.276 176.083 175.800 0.012 0.000 1.101 219 F CA 0.406 58.418 58.000 0.019 0.000 1.301 219 F CB 0.580 39.585 39.000 0.007 0.000 1.062 219 F HN 0.097 nan 8.300 nan 0.000 0.583 220 D N 8.209 128.371 120.400 -0.397 0.000 2.278 220 D HA 0.229 4.869 4.640 -0.001 0.000 0.245 220 D C -1.794 174.045 176.300 -0.768 0.000 1.052 220 D CA -1.757 52.014 54.000 -0.383 0.000 0.834 220 D CB 2.322 42.977 40.800 -0.242 0.000 1.194 220 D HN 0.271 nan 8.370 nan 0.000 0.481 221 P HA -0.087 nan 4.420 nan 0.000 0.223 221 P C 1.366 178.568 177.300 -0.163 0.000 1.151 221 P CA 0.736 63.752 63.100 -0.140 0.000 0.787 221 P CB 0.341 32.094 31.700 0.088 0.000 0.788 222 V N -4.104 115.700 119.914 -0.183 0.000 3.125 222 V HA 0.043 4.163 4.120 -0.001 0.000 0.249 222 V C 2.043 178.029 176.094 -0.180 0.000 1.113 222 V CA 1.270 63.487 62.300 -0.137 0.000 1.106 222 V CB -1.833 29.937 31.823 -0.088 0.000 0.768 222 V HN -0.026 nan 8.190 nan 0.000 0.468 223 T N 0.891 115.290 114.554 -0.258 0.000 2.942 223 T HA 0.214 4.564 4.350 -0.001 0.000 0.265 223 T C 1.724 176.263 174.700 -0.269 0.000 1.062 223 T CA 1.474 63.419 62.100 -0.258 0.000 1.139 223 T CB -0.464 68.234 68.868 -0.284 0.000 0.883 223 T HN 1.197 nan 8.240 nan 0.000 0.468 224 G N 1.188 109.747 108.800 -0.403 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 -0.055 174.736 174.900 -0.182 0.000 0.983 224 G CA 0.269 45.193 45.100 -0.292 0.000 0.676 224 G HN 0.529 nan 8.290 nan 0.000 0.528 225 L N -0.990 120.044 121.223 -0.315 0.000 2.415 225 L HA 0.606 4.946 4.340 -0.001 0.000 0.256 225 L C 0.314 177.134 176.870 -0.083 0.000 1.010 225 L CA -1.547 53.244 54.840 -0.082 0.000 0.826 225 L CB 2.138 44.139 42.059 -0.097 0.000 1.405 225 L HN -0.124 nan 8.230 nan 0.000 0.410 226 V N 2.310 122.253 119.914 0.048 0.000 2.439 226 V HA 0.052 4.171 4.120 -0.001 0.000 0.271 226 V C 1.205 177.267 176.094 -0.053 0.000 1.040 226 V CA -0.227 62.094 62.300 0.036 0.000 1.002 226 V CB 1.089 32.932 31.823 0.035 0.000 1.000 226 V HN 0.720 nan 8.190 nan 0.000 0.477 227 M N 5.588 125.158 119.600 -0.051 0.000 2.132 227 M HA 0.022 4.502 4.480 -0.001 0.000 0.263 227 M C -0.438 175.845 176.300 -0.028 0.000 1.065 227 M CA 1.549 56.811 55.300 -0.064 0.000 1.122 227 M CB -1.754 30.813 32.600 -0.056 0.000 1.365 227 M HN 0.456 nan 8.290 nan 0.000 0.411 228 P HA 0.326 nan 4.420 nan 0.000 0.254 228 P C 0.591 177.873 177.300 -0.031 0.000 1.620 228 P CA 0.332 63.430 63.100 -0.004 0.000 1.050 228 P CB -0.026 31.676 31.700 0.004 0.000 1.539 229 G N -0.759 107.999 108.800 -0.071 0.000 2.205 229 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.269 229 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.269 229 G C 0.139 174.952 174.900 -0.144 0.000 0.977 229 G CA 0.252 45.292 45.100 -0.100 0.000 0.652 229 G HN 0.389 nan 8.290 nan 0.000 0.539 230 V N 0.224 120.048 119.914 -0.150 0.000 2.623 230 V HA 0.481 4.600 4.120 -0.001 0.000 0.304 230 V C -0.145 175.878 176.094 -0.119 0.000 1.054 230 V CA -1.500 60.728 62.300 -0.121 0.000 0.882 230 V CB 1.499 33.305 31.823 -0.029 0.000 1.002 230 V HN 0.259 nan 8.190 nan 0.000 0.424 231 Y N 1.658 121.917 120.300 -0.069 0.000 2.544 231 Y HA 0.137 4.686 4.550 -0.001 0.000 0.330 231 Y C 1.539 177.302 175.900 -0.228 0.000 1.136 231 Y CA -0.289 57.688 58.100 -0.206 0.000 1.417 231 Y CB 0.201 38.408 38.460 -0.422 0.000 1.229 231 Y HN 0.628 nan 8.280 nan 0.000 0.532 232 T N 2.974 117.497 114.554 -0.053 0.000 2.758 232 T HA -0.132 4.218 4.350 -0.001 0.000 0.249 232 T C 0.527 175.160 174.700 -0.112 0.000 1.011 232 T CA -0.040 62.009 62.100 -0.085 0.000 1.301 232 T CB -0.751 68.049 68.868 -0.114 0.000 0.992 232 T HN 0.500 nan 8.240 nan 0.000 0.549 233 N N 3.100 121.764 118.700 -0.060 0.000 3.117 233 N HA 0.082 4.822 4.740 -0.001 0.000 0.323 233 N C -0.159 175.341 175.510 -0.016 0.000 1.245 233 N CA 0.036 53.058 53.050 -0.047 0.000 1.191 233 N CB 0.095 38.575 38.487 -0.012 0.000 1.451 233 N HN 0.606 nan 8.380 nan 0.000 0.555 234 E N -0.021 120.178 120.200 -0.001 0.000 2.218 234 E HA 0.550 4.900 4.350 -0.001 0.000 0.263 234 E C -0.960 175.725 176.600 0.140 0.000 0.879 234 E CA -0.880 55.563 56.400 0.072 0.000 0.762 234 E CB 1.157 30.949 29.700 0.153 0.000 1.166 234 E HN 0.318 nan 8.360 nan 0.000 0.415 235 A N 3.790 126.609 122.820 -0.002 0.000 2.511 235 A HA 0.245 4.564 4.320 -0.001 0.000 0.242 235 A C -0.503 176.850 177.584 -0.384 0.000 1.069 235 A CA 0.231 52.194 52.037 -0.124 0.000 0.763 235 A CB -0.013 18.870 19.000 -0.196 0.000 1.001 235 A HN 0.656 nan 8.150 nan 0.000 0.498 236 F N 2.576 122.224 119.950 -0.504 0.000 2.881 236 F HA 0.272 4.799 4.527 -0.001 0.000 0.343 236 F C 1.120 176.642 175.800 -0.464 0.000 1.233 236 F CA 0.121 57.779 58.000 -0.570 0.000 1.262 236 F CB -0.417 38.276 39.000 -0.511 0.000 0.980 236 F HN 0.896 nan 8.300 nan 0.000 0.506 237 H N -2.067 116.923 119.070 -0.133 0.000 1.562 237 H HA -0.195 4.361 4.556 -0.001 0.000 0.090 237 H C -1.973 173.378 175.328 0.039 0.000 0.613 237 H CA 1.052 57.064 56.048 -0.059 0.000 1.889 237 H CB -2.434 27.279 29.762 -0.082 0.000 2.240 237 H HN 0.039 nan 8.280 nan 0.000 0.959 238 P HA 0.175 nan 4.420 nan 0.000 0.279 238 P C -0.869 176.639 177.300 0.347 0.000 1.318 238 P CA 0.124 63.403 63.100 0.299 0.000 0.819 238 P CB -0.052 31.923 31.700 0.458 0.000 0.927 239 D N 3.579 124.085 120.400 0.177 0.000 2.586 239 D HA -0.030 4.609 4.640 -0.001 0.000 0.234 239 D C 0.550 177.027 176.300 0.296 0.000 1.132 239 D CA 0.307 54.399 54.000 0.154 0.000 0.860 239 D CB -0.112 40.709 40.800 0.036 0.000 1.159 239 D HN 0.244 nan 8.370 nan 0.000 0.490 240 I N 1.435 122.205 120.570 0.333 0.000 3.138 240 I HA 0.139 4.308 4.170 -0.001 0.000 0.288 240 I C 0.507 176.848 176.117 0.373 0.000 1.148 240 I CA -0.368 61.193 61.300 0.435 0.000 1.315 240 I CB 0.345 38.509 38.000 0.272 0.000 1.426 240 I HN 0.296 nan 8.210 nan 0.000 0.615 241 I N 4.248 125.058 120.570 0.401 0.000 2.362 241 I HA 0.372 4.542 4.170 -0.001 0.000 0.289 241 I C -0.824 175.372 176.117 0.131 0.000 0.994 241 I CA -0.462 61.017 61.300 0.298 0.000 1.158 241 I CB 0.935 39.142 38.000 0.346 0.000 1.315 241 I HN 0.276 nan 8.210 nan 0.000 0.451 242 L N 7.668 128.877 121.223 -0.023 0.000 2.307 242 L HA 0.684 5.023 4.340 -0.001 0.000 0.284 242 L C -0.772 176.038 176.870 -0.100 0.000 1.023 242 L CA -0.608 54.157 54.840 -0.125 0.000 0.810 242 L CB 1.311 43.188 42.059 -0.303 0.000 1.231 242 L HN 0.459 nan 8.230 nan 0.000 0.423 243 L N 4.204 125.406 121.223 -0.035 0.000 2.513 243 L HA 0.647 4.987 4.340 -0.001 0.000 0.261 243 L C -2.882 173.831 176.870 -0.261 0.000 0.945 243 L CA -1.499 53.286 54.840 -0.093 0.000 0.848 243 L CB 2.601 44.614 42.059 -0.077 0.000 1.334 243 L HN 0.305 nan 8.230 nan 0.000 0.407 244 P HA 0.339 nan 4.420 nan 0.000 0.308 244 P C 0.525 177.261 177.300 -0.941 0.000 1.497 244 P CA -0.263 62.199 63.100 -1.063 0.000 1.101 244 P CB 2.135 33.531 31.700 -0.507 0.000 1.095 245 G N 2.390 110.364 108.800 -1.377 0.000 2.302 245 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.263 245 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.263 245 G C 0.449 174.889 174.900 -0.766 0.000 0.995 245 G CA 0.761 45.425 45.100 -0.727 0.000 0.622 245 G HN 0.778 nan 8.290 nan 0.000 0.538 246 C N -1.941 117.014 119.300 -0.576 0.000 3.462 246 C HA 1.112 5.572 4.460 -0.001 0.000 0.298 246 C C 1.041 175.838 174.990 -0.321 0.000 3.205 246 C CA -0.002 58.735 59.018 -0.468 0.000 1.845 246 C CB 1.263 28.832 27.740 -0.284 0.000 3.397 246 C HN 2.142 nan 8.230 nan 0.000 0.473 247 G N -1.120 107.506 108.800 -0.290 0.000 2.322 247 G HA2 0.593 4.553 3.960 -0.001 0.000 0.295 247 G HA3 0.593 4.553 3.960 -0.001 0.000 0.295 247 G C -1.245 173.668 174.900 0.022 0.000 1.369 247 G CA 0.163 45.190 45.100 -0.122 0.000 0.821 247 G HN 1.800 nan 8.290 nan 0.000 0.536 248 V N -2.167 117.839 119.914 0.153 0.000 3.234 248 V HA 0.952 5.072 4.120 -0.001 0.000 0.317 248 V C -0.565 175.619 176.094 0.151 0.000 1.147 248 V CA -0.651 61.751 62.300 0.170 0.000 1.037 248 V CB 2.021 33.868 31.823 0.040 0.000 1.148 248 V HN 1.084 nan 8.190 nan 0.000 0.455 249 D N -1.010 119.273 120.400 -0.195 0.000 2.548 249 D HA 0.418 5.058 4.640 -0.001 0.000 0.214 249 D C -1.187 174.846 176.300 -0.446 0.000 1.345 249 D CA -0.350 53.487 54.000 -0.271 0.000 0.945 249 D CB 1.084 41.682 40.800 -0.337 0.000 1.499 249 D HN 0.411 nan 8.370 nan 0.000 0.579 250 F N 2.570 122.491 119.950 -0.048 0.000 2.850 250 F HA 0.226 4.752 4.527 -0.001 0.000 0.306 250 F C 2.118 177.953 175.800 0.058 0.000 1.162 250 F CA -0.437 57.579 58.000 0.026 0.000 1.327 250 F CB 1.010 39.971 39.000 -0.065 0.000 0.953 250 F HN 0.400 nan 8.300 nan 0.000 0.507 251 T N -0.877 113.715 114.554 0.064 0.000 2.929 251 T HA -0.168 4.181 4.350 -0.001 0.000 0.271 251 T C 0.785 175.344 174.700 -0.234 0.000 1.085 251 T CA 1.546 63.608 62.100 -0.063 0.000 1.125 251 T CB -0.267 68.493 68.868 -0.179 0.000 0.874 251 T HN 0.236 nan 8.240 nan 0.000 0.494 252 H N 0.156 119.289 119.070 0.104 0.000 2.716 252 H HA 0.568 5.124 4.556 -0.001 0.000 0.230 252 H C -0.848 174.571 175.328 0.151 0.000 1.401 252 H CA -0.407 55.697 56.048 0.092 0.000 1.168 252 H CB 0.273 30.152 29.762 0.196 0.000 1.935 252 H HN 0.115 nan 8.280 nan 0.000 0.538 253 S N -0.262 115.587 115.700 0.248 0.000 2.556 253 S HA 0.432 4.902 4.470 -0.001 0.000 0.271 253 S C 0.618 175.307 174.600 0.148 0.000 1.135 253 S CA -0.609 57.748 58.200 0.262 0.000 0.858 253 S CB 1.593 65.047 63.200 0.423 0.000 1.114 253 S HN 0.480 nan 8.310 nan 0.000 0.468 254 R N 2.012 122.558 120.500 0.077 0.000 2.362 254 R HA 0.353 4.693 4.340 -0.001 0.000 0.227 254 R C 1.313 177.570 176.300 -0.072 0.000 0.905 254 R CA 0.094 56.182 56.100 -0.019 0.000 1.067 254 R CB -0.068 30.198 30.300 -0.056 0.000 1.078 254 R HN 0.572 nan 8.270 nan 0.000 0.516 255 L N 0.574 121.772 121.223 -0.040 0.000 2.265 255 L HA -0.175 4.165 4.340 -0.001 0.000 0.215 255 L C 2.176 178.731 176.870 -0.525 0.000 1.117 255 L CA 1.383 56.110 54.840 -0.189 0.000 0.782 255 L CB -0.241 41.781 42.059 -0.061 0.000 0.914 255 L HN 0.245 nan 8.230 nan 0.000 0.441 256 S N -1.237 114.058 115.700 -0.674 0.000 2.442 256 S HA -0.173 4.296 4.470 -0.001 0.000 0.236 256 S C 1.782 176.120 174.600 -0.438 0.000 1.007 256 S CA 1.062 58.739 58.200 -0.872 0.000 0.965 256 S CB -0.428 62.478 63.200 -0.490 0.000 0.773 256 S HN 0.477 nan 8.310 nan 0.000 0.504 257 N N 1.250 119.777 118.700 -0.290 0.000 2.216 257 N HA 0.041 4.780 4.740 -0.001 0.000 0.183 257 N C 1.764 177.146 175.510 -0.213 0.000 1.017 257 N CA 0.838 53.759 53.050 -0.214 0.000 0.861 257 N CB -0.366 38.026 38.487 -0.159 0.000 0.986 257 N HN 0.304 nan 8.380 nan 0.000 0.428 258 L N 1.835 122.915 121.223 -0.237 0.000 2.042 258 L HA -0.096 4.244 4.340 -0.001 0.000 0.210 258 L C 1.933 178.660 176.870 -0.239 0.000 1.076 258 L CA 1.306 56.019 54.840 -0.211 0.000 0.749 258 L CB -0.820 41.109 42.059 -0.216 0.000 0.893 258 L HN 0.179 nan 8.230 nan 0.000 0.432 259 L N -0.244 120.770 121.223 -0.349 0.000 2.291 259 L HA 0.010 4.349 4.340 -0.001 0.000 0.214 259 L C 1.480 178.216 176.870 -0.224 0.000 1.120 259 L CA 0.872 55.512 54.840 -0.334 0.000 0.799 259 L CB -1.014 40.737 42.059 -0.513 0.000 0.925 259 L HN 0.564 nan 8.230 nan 0.000 0.446 260 G N 1.513 110.178 108.800 -0.226 0.000 2.212 260 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.255 260 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.255 260 G C -0.091 174.682 174.900 -0.211 0.000 1.062 260 G CA -0.060 44.949 45.100 -0.151 0.000 0.815 260 G HN 0.346 nan 8.290 nan 0.000 0.497 261 I N -0.345 120.014 120.570 -0.353 0.000 2.436 261 I HA 0.669 4.838 4.170 -0.001 0.000 0.289 261 I C 0.235 176.232 176.117 -0.200 0.000 1.010 261 I CA -0.997 60.013 61.300 -0.484 0.000 1.098 261 I CB 2.095 39.569 38.000 -0.877 0.000 1.266 261 I HN 0.204 nan 8.210 nan 0.000 0.434 262 R N 5.515 125.882 120.500 -0.222 0.000 2.604 262 R HA 0.390 4.729 4.340 -0.001 0.000 0.281 262 R C -1.161 174.879 176.300 -0.433 0.000 1.020 262 R CA -0.869 55.024 56.100 -0.346 0.000 0.899 262 R CB 2.301 32.447 30.300 -0.257 0.000 1.205 262 R HN 0.595 nan 8.270 nan 0.000 0.450 263 K N 2.685 122.626 120.400 -0.765 0.000 2.484 263 K HA -0.058 4.261 4.320 -0.001 0.000 0.280 263 K C 1.056 177.452 176.600 -0.340 0.000 1.013 263 K CA 0.322 56.254 56.287 -0.592 0.000 1.029 263 K CB 0.697 32.792 32.500 -0.675 0.000 0.902 263 K HN 0.500 nan 8.250 nan 0.000 0.481 264 R N 2.020 122.387 120.500 -0.222 0.000 2.189 264 R HA -0.143 4.196 4.340 -0.001 0.000 0.223 264 R C 0.280 176.494 176.300 -0.142 0.000 1.092 264 R CA 1.393 57.418 56.100 -0.125 0.000 0.989 264 R CB 0.234 30.511 30.300 -0.039 0.000 0.876 264 R HN 0.577 nan 8.270 nan 0.000 0.457 265 Q N -0.416 119.265 119.800 -0.199 0.000 2.700 265 Q HA 0.294 4.634 4.340 -0.001 0.000 0.249 265 Q C -2.359 173.524 176.000 -0.196 0.000 1.033 265 Q CA -1.853 53.859 55.803 -0.151 0.000 0.804 265 Q CB 1.798 30.461 28.738 -0.125 0.000 1.164 265 Q HN 0.009 nan 8.270 nan 0.000 0.500 266 P HA 0.076 nan 4.420 nan 0.000 0.257 266 P C -0.157 176.935 177.300 -0.347 0.000 1.281 266 P CA 0.074 62.953 63.100 -0.369 0.000 0.826 266 P CB 0.001 31.418 31.700 -0.471 0.000 1.237 267 F N -0.241 119.630 119.950 -0.131 0.000 2.754 267 F HA 0.175 4.701 4.527 -0.001 0.000 0.297 267 F C 1.560 177.304 175.800 -0.092 0.000 1.122 267 F CA -0.075 57.867 58.000 -0.097 0.000 1.400 267 F CB 0.075 39.030 39.000 -0.074 0.000 1.117 267 F HN -0.101 nan 8.300 nan 0.000 0.587 268 Q N 2.531 122.354 119.800 0.038 0.000 2.359 268 Q HA -0.028 4.311 4.340 -0.001 0.000 0.249 268 Q C 0.173 176.153 176.000 -0.034 0.000 1.181 268 Q CA -0.141 55.649 55.803 -0.020 0.000 0.897 268 Q CB 0.136 28.819 28.738 -0.091 0.000 1.424 268 Q HN 0.257 nan 8.270 nan 0.000 0.478 269 E N 3.162 123.361 120.200 -0.000 0.000 2.498 269 E HA 0.122 4.472 4.350 -0.001 0.000 0.252 269 E C -0.503 176.090 176.600 -0.012 0.000 1.025 269 E CA 0.601 56.997 56.400 -0.007 0.000 0.938 269 E CB 0.012 29.717 29.700 0.009 0.000 0.947 269 E HN 0.834 nan 8.360 nan 0.000 0.478 270 G N 4.816 113.612 108.800 -0.006 0.000 2.491 270 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.508 270 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.508 270 G C -1.256 173.751 174.900 0.178 0.000 1.143 270 G CA -0.634 44.490 45.100 0.041 0.000 1.277 270 G HN 0.400 nan 8.290 nan 0.000 0.599 271 F N 4.840 124.801 119.950 0.019 0.000 2.291 271 F HA 0.693 5.220 4.527 -0.001 0.000 0.368 271 F C 0.488 176.386 175.800 0.165 0.000 1.085 271 F CA -1.790 56.276 58.000 0.110 0.000 1.165 271 F CB 0.578 39.632 39.000 0.090 0.000 1.429 271 F HN 0.604 nan 8.300 nan 0.000 0.503 272 R N 7.608 128.293 120.500 0.308 0.000 2.513 272 R HA 0.667 5.006 4.340 -0.001 0.000 0.301 272 R C -1.814 174.622 176.300 0.226 0.000 0.968 272 R CA -0.721 55.470 56.100 0.151 0.000 0.872 272 R CB 1.387 31.758 30.300 0.118 0.000 1.177 272 R HN 0.626 nan 8.270 nan 0.000 0.444 273 I N 0.277 120.921 120.570 0.123 0.000 2.433 273 I HA 0.536 4.706 4.170 -0.001 0.000 0.292 273 I C -0.546 175.638 176.117 0.111 0.000 1.001 273 I CA -0.734 60.636 61.300 0.117 0.000 1.119 273 I CB 2.221 40.299 38.000 0.130 0.000 1.289 273 I HN 0.595 nan 8.210 nan 0.000 0.438 274 T N 2.579 117.169 114.554 0.061 0.000 2.907 274 T HA 0.301 4.651 4.350 -0.001 0.000 0.290 274 T C 0.389 175.127 174.700 0.064 0.000 1.066 274 T CA -0.258 61.867 62.100 0.042 0.000 1.012 274 T CB 1.172 70.053 68.868 0.021 0.000 1.184 274 T HN 0.596 nan 8.240 nan 0.000 0.522 275 Y N 1.590 121.825 120.300 -0.108 0.000 2.207 275 Y HA -0.107 4.443 4.550 -0.001 0.000 0.287 275 Y C 1.810 177.649 175.900 -0.101 0.000 1.156 275 Y CA 2.313 60.350 58.100 -0.105 0.000 1.182 275 Y CB -0.397 37.979 38.460 -0.140 0.000 0.979 275 Y HN 0.747 nan 8.280 nan 0.000 0.521 276 D N -0.293 120.083 120.400 -0.040 0.000 2.178 276 D HA -0.158 4.481 4.640 -0.001 0.000 0.201 276 D C 1.628 177.826 176.300 -0.171 0.000 0.980 276 D CA 1.645 55.556 54.000 -0.149 0.000 0.842 276 D CB -0.135 40.608 40.800 -0.095 0.000 0.948 276 D HN 0.417 nan 8.370 nan 0.000 0.472 277 D N -0.506 119.802 120.400 -0.153 0.000 2.249 277 D HA -0.011 4.628 4.640 -0.001 0.000 0.205 277 D C 1.332 177.547 176.300 -0.141 0.000 0.962 277 D CA 0.244 54.111 54.000 -0.222 0.000 0.860 277 D CB 0.187 40.777 40.800 -0.351 0.000 0.955 277 D HN 0.163 nan 8.370 nan 0.000 0.505 278 L N 1.297 122.475 121.223 -0.075 0.000 2.645 278 L HA 0.070 4.410 4.340 -0.001 0.000 0.235 278 L C 0.787 177.595 176.870 -0.103 0.000 1.150 278 L CA 0.174 54.998 54.840 -0.026 0.000 0.911 278 L CB -0.590 41.507 42.059 0.064 0.000 1.077 278 L HN -0.092 nan 8.230 nan 0.000 0.438 279 E N -0.072 120.034 120.200 -0.157 0.000 2.558 279 E HA 0.194 4.543 4.350 -0.001 0.000 0.255 279 E C 1.201 177.712 176.600 -0.149 0.000 0.968 279 E CA 0.919 57.210 56.400 -0.182 0.000 0.939 279 E CB 0.172 29.770 29.700 -0.169 0.000 0.921 279 E HN 0.407 nan 8.360 nan 0.000 0.477 280 G N 2.751 111.447 108.800 -0.174 0.000 2.253 280 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.209 280 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.209 280 G C 0.746 175.509 174.900 -0.229 0.000 0.997 280 G CA 0.226 45.221 45.100 -0.176 0.000 0.640 280 G HN 0.768 nan 8.290 nan 0.000 0.496 281 G N 0.580 109.254 108.800 -0.210 0.000 2.662 281 G HA2 0.209 4.168 3.960 -0.001 0.000 0.215 281 G HA3 0.209 4.168 3.960 -0.001 0.000 0.215 281 G C 0.683 175.398 174.900 -0.309 0.000 1.310 281 G CA 1.056 46.027 45.100 -0.214 0.000 0.849 281 G HN 1.194 nan 8.290 nan 0.000 0.568 282 N N 0.363 118.912 118.700 -0.252 0.000 2.608 282 N HA -0.147 4.593 4.740 -0.001 0.000 0.273 282 N C 0.333 175.669 175.510 -0.289 0.000 1.133 282 N CA 0.842 53.731 53.050 -0.268 0.000 0.726 282 N CB -1.307 36.941 38.487 -0.397 0.000 0.890 282 N HN 0.758 nan 8.380 nan 0.000 0.548 283 I N -0.474 119.978 120.570 -0.196 0.000 3.015 283 I HA 0.080 4.250 4.170 -0.001 0.000 0.309 283 I C -1.680 174.494 176.117 0.095 0.000 1.229 283 I CA -0.745 60.474 61.300 -0.136 0.000 1.430 283 I CB 0.071 37.847 38.000 -0.374 0.000 1.347 283 I HN 0.178 nan 8.210 nan 0.000 0.544 284 P HA 0.172 nan 4.420 nan 0.000 0.270 284 P C -0.320 177.306 177.300 0.543 0.000 1.223 284 P CA -0.226 63.161 63.100 0.477 0.000 0.785 284 P CB 0.516 32.560 31.700 0.573 0.000 0.923 285 A N 2.335 125.434 122.820 0.464 0.000 2.366 285 A HA 0.245 4.565 4.320 -0.001 0.000 0.249 285 A C 1.089 178.836 177.584 0.272 0.000 1.084 285 A CA -0.390 51.882 52.037 0.391 0.000 0.794 285 A CB -0.559 18.598 19.000 0.262 0.000 1.034 285 A HN 0.567 nan 8.150 nan 0.000 0.491 286 L N -0.375 120.952 121.223 0.173 0.000 2.483 286 L HA 0.386 4.725 4.340 -0.001 0.000 0.159 286 L C 0.124 176.970 176.870 -0.040 0.000 1.273 286 L CA 0.245 55.034 54.840 -0.084 0.000 2.526 286 L CB -0.097 41.901 42.059 -0.103 0.000 2.598 286 L HN 0.679 nan 8.230 nan 0.000 0.766 287 L N -0.450 120.738 121.223 -0.059 0.000 2.847 287 L HA 0.190 4.529 4.340 -0.001 0.000 0.261 287 L C -1.305 175.544 176.870 -0.036 0.000 0.926 287 L CA -0.530 54.278 54.840 -0.053 0.000 1.010 287 L CB 1.509 43.521 42.059 -0.079 0.000 1.538 287 L HN 0.292 nan 8.230 nan 0.000 0.465 288 D N 3.703 124.087 120.400 -0.027 0.000 2.383 288 D HA 0.047 4.687 4.640 -0.001 0.000 0.275 288 D C 1.375 177.694 176.300 0.032 0.000 1.344 288 D CA 0.275 54.268 54.000 -0.011 0.000 0.984 288 D CB 1.264 42.057 40.800 -0.013 0.000 1.104 288 D HN 0.433 nan 8.370 nan 0.000 0.524 289 V N 3.907 123.839 119.914 0.030 0.000 2.231 289 V HA -0.295 3.824 4.120 -0.001 0.000 0.250 289 V C 1.841 177.979 176.094 0.074 0.000 1.058 289 V CA 1.740 64.078 62.300 0.063 0.000 1.022 289 V CB -0.317 31.523 31.823 0.027 0.000 0.640 289 V HN 0.512 nan 8.190 nan 0.000 0.445 290 D N 0.739 121.159 120.400 0.033 0.000 2.224 290 D HA 0.033 4.672 4.640 -0.001 0.000 0.205 290 D C 1.657 177.974 176.300 0.029 0.000 0.965 290 D CA 1.369 55.379 54.000 0.016 0.000 0.852 290 D CB -0.127 40.673 40.800 0.000 0.000 0.947 290 D HN 0.534 nan 8.370 nan 0.000 0.494 291 A N -0.304 122.545 122.820 0.048 0.000 2.648 291 A HA 0.162 4.482 4.320 -0.001 0.000 0.269 291 A C 0.615 178.280 177.584 0.135 0.000 1.392 291 A CA -0.098 51.973 52.037 0.057 0.000 1.019 291 A CB -0.584 18.433 19.000 0.028 0.000 1.009 291 A HN 0.372 nan 8.150 nan 0.000 0.565 292 Y N -2.584 117.701 120.300 -0.026 0.000 3.032 292 Y HA 0.073 4.623 4.550 -0.001 0.000 0.232 292 Y C 1.625 177.512 175.900 -0.021 0.000 1.107 292 Y CA 0.783 58.868 58.100 -0.025 0.000 1.355 292 Y CB -0.138 38.304 38.460 -0.029 0.000 1.413 292 Y HN 0.196 nan 8.280 nan 0.000 0.447 293 Q N 1.154 120.821 119.800 -0.222 0.000 2.083 293 Q HA 0.026 4.365 4.340 -0.001 0.000 0.198 293 Q C 1.810 177.698 176.000 -0.187 0.000 0.969 293 Q CA 1.703 57.291 55.803 -0.358 0.000 0.838 293 Q CB 0.097 28.711 28.738 -0.206 0.000 0.900 293 Q HN 0.627 nan 8.270 nan 0.000 0.436 294 A N 0.031 122.795 122.820 -0.093 0.000 2.081 294 A HA 0.062 4.382 4.320 -0.001 0.000 0.214 294 A C 1.608 179.163 177.584 -0.048 0.000 1.158 294 A CA 0.569 52.569 52.037 -0.061 0.000 0.724 294 A CB -0.053 18.925 19.000 -0.036 0.000 0.826 294 A HN 0.329 nan 8.150 nan 0.000 0.463 295 S N -1.431 114.247 115.700 -0.036 0.000 2.562 295 S HA 0.524 4.994 4.470 -0.001 0.000 0.256 295 S C 0.482 175.061 174.600 -0.035 0.000 1.248 295 S CA 0.305 58.495 58.200 -0.017 0.000 0.988 295 S CB -0.183 63.029 63.200 0.020 0.000 1.035 295 S HN 0.839 nan 8.310 nan 0.000 0.548 313 K N 1.118 121.535 120.400 0.028 0.000 2.345 313 K HA 0.643 4.963 4.320 -0.001 0.000 0.255 313 K C -2.097 174.522 176.600 0.032 0.000 0.934 313 K CA -1.255 55.062 56.287 0.052 0.000 0.801 313 K CB 1.902 34.434 32.500 0.053 0.000 1.137 313 K HN -0.153 nan 8.250 nan 0.000 0.424 314 P HA 0.031 nan 4.420 nan 0.000 0.259 314 P C 1.090 178.383 177.300 -0.013 0.000 1.530 314 P CA -0.181 62.934 63.100 0.024 0.000 1.022 314 P CB 0.012 31.738 31.700 0.044 0.000 1.514 315 V N -0.055 119.819 119.914 -0.066 0.000 2.277 315 V HA -0.304 3.815 4.120 -0.001 0.000 0.255 315 V C 1.967 177.967 176.094 -0.157 0.000 1.074 315 V CA 2.229 64.409 62.300 -0.199 0.000 1.058 315 V CB -2.085 29.574 31.823 -0.275 0.000 0.656 315 V HN 0.279 nan 8.190 nan 0.000 0.449 316 I N -0.598 119.908 120.570 -0.107 0.000 3.443 316 I HA 0.208 4.378 4.170 -0.001 0.000 0.312 316 I C 0.817 176.894 176.117 -0.067 0.000 1.155 316 I CA 0.611 61.856 61.300 -0.092 0.000 1.210 316 I CB -0.915 37.038 38.000 -0.077 0.000 0.999 316 I HN 0.296 nan 8.210 nan 0.000 0.537 317 K N 2.850 123.213 120.400 -0.062 0.000 2.334 317 K HA 0.513 4.832 4.320 -0.001 0.000 0.265 317 K C -2.578 173.999 176.600 -0.039 0.000 1.039 317 K CA -2.073 54.189 56.287 -0.041 0.000 0.920 317 K CB 1.024 33.509 32.500 -0.025 0.000 1.160 317 K HN 0.039 nan 8.250 nan 0.000 0.451 318 P HA -0.016 nan 4.420 nan 0.000 0.274 318 P C -0.795 176.491 177.300 -0.023 0.000 1.237 318 P CA -0.587 62.510 63.100 -0.005 0.000 0.793 318 P CB 0.542 32.256 31.700 0.024 0.000 0.977 319 L N 2.348 123.553 121.223 -0.031 0.000 2.391 319 L HA 0.096 4.436 4.340 -0.001 0.000 0.249 319 L C 1.680 178.430 176.870 -0.200 0.000 1.308 319 L CA 0.649 55.422 54.840 -0.111 0.000 1.209 319 L CB -1.590 40.393 42.059 -0.126 0.000 1.401 319 L HN 0.393 nan 8.230 nan 0.000 0.416 320 T N 0.787 115.272 114.554 -0.115 0.000 2.684 320 T HA -0.222 4.127 4.350 -0.001 0.000 0.267 320 T C 0.859 175.455 174.700 -0.174 0.000 1.032 320 T CA 2.227 64.270 62.100 -0.095 0.000 1.155 320 T CB 0.117 68.955 68.868 -0.050 0.000 0.857 320 T HN 0.716 nan 8.240 nan 0.000 0.457 321 E N -0.821 119.236 120.200 -0.239 0.000 2.449 321 E HA 0.574 4.924 4.350 -0.001 0.000 0.254 321 E C -1.467 174.916 176.600 -0.362 0.000 0.907 321 E CA -0.916 55.337 56.400 -0.246 0.000 0.840 321 E CB 1.418 31.050 29.700 -0.114 0.000 1.459 321 E HN 0.055 nan 8.360 nan 0.000 0.407 322 D N -0.965 119.308 120.400 -0.211 0.000 2.753 322 D HA 0.228 4.868 4.640 -0.001 0.000 0.224 322 D C 0.274 176.557 176.300 -0.029 0.000 1.213 322 D CA -0.156 53.764 54.000 -0.134 0.000 0.833 322 D CB 1.847 42.606 40.800 -0.070 0.000 1.607 322 D HN 0.336 nan 8.370 nan 0.000 0.463 323 S N 2.275 117.967 115.700 -0.013 0.000 2.396 323 S HA -0.369 4.101 4.470 -0.001 0.000 0.476 323 S C 0.796 175.406 174.600 0.016 0.000 1.048 323 S CA 2.286 60.491 58.200 0.009 0.000 2.784 323 S CB -0.434 62.782 63.200 0.026 0.000 2.036 323 S HN 0.572 nan 8.310 nan 0.000 0.520 324 K N 1.245 121.666 120.400 0.035 0.000 3.173 324 K HA 0.187 4.507 4.320 -0.001 0.000 0.255 324 K C -0.030 176.594 176.600 0.040 0.000 1.235 324 K CA -0.077 56.234 56.287 0.040 0.000 1.250 324 K CB 0.173 32.706 32.500 0.054 0.000 1.382 324 K HN 0.312 nan 8.250 nan 0.000 0.421 325 K N 2.026 122.438 120.400 0.019 0.000 3.974 325 K HA -0.206 4.114 4.320 -0.001 0.000 0.280 325 K C -1.523 175.089 176.600 0.021 0.000 0.949 325 K CA 0.685 56.977 56.287 0.008 0.000 0.817 325 K CB -0.663 31.844 32.500 0.010 0.000 1.535 325 K HN 0.499 nan 8.250 nan 0.000 0.444 326 R N 0.934 121.447 120.500 0.022 0.000 2.388 326 R HA 0.235 4.575 4.340 -0.001 0.000 0.314 326 R C -0.034 176.305 176.300 0.066 0.000 0.959 326 R CA -0.679 55.458 56.100 0.061 0.000 0.851 326 R CB 1.720 32.087 30.300 0.113 0.000 1.168 326 R HN 0.208 nan 8.270 nan 0.000 0.472 327 S N 1.563 117.301 115.700 0.063 0.000 2.572 327 S HA 0.045 4.515 4.470 -0.001 0.000 0.279 327 S C 0.343 175.092 174.600 0.248 0.000 1.341 327 S CA -0.220 58.021 58.200 0.069 0.000 1.043 327 S CB 0.298 63.516 63.200 0.031 0.000 0.887 327 S HN 0.694 nan 8.310 nan 0.000 0.516 328 Y N 2.216 122.534 120.300 0.030 0.000 2.468 328 Y HA 0.112 4.662 4.550 -0.001 0.000 0.268 328 Y C 0.689 176.551 175.900 -0.065 0.000 1.177 328 Y CA -0.713 57.425 58.100 0.064 0.000 1.265 328 Y CB 0.117 38.662 38.460 0.141 0.000 1.103 328 Y HN 0.695 nan 8.280 nan 0.000 0.522 329 N N 0.632 119.359 118.700 0.046 0.000 2.714 329 N HA -0.221 4.519 4.740 -0.001 0.000 0.252 329 N C -0.835 174.670 175.510 -0.009 0.000 1.014 329 N CA 0.818 53.830 53.050 -0.064 0.000 0.735 329 N CB -2.054 36.286 38.487 -0.246 0.000 0.924 329 N HN 0.424 nan 8.380 nan 0.000 0.540 330 L N 0.169 121.432 121.223 0.066 0.000 2.456 330 L HA 0.122 4.461 4.340 -0.001 0.000 0.272 330 L C 2.351 179.255 176.870 0.057 0.000 1.189 330 L CA -0.647 54.246 54.840 0.090 0.000 0.846 330 L CB 0.278 42.394 42.059 0.095 0.000 1.111 330 L HN 0.029 nan 8.230 nan 0.000 0.475 331 I N 0.205 120.821 120.570 0.075 0.000 2.113 331 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 331 I C 1.276 177.412 176.117 0.032 0.000 1.057 331 I CA 1.825 63.161 61.300 0.061 0.000 1.314 331 I CB -0.490 37.559 38.000 0.082 0.000 1.022 331 I HN 0.832 nan 8.210 nan 0.000 0.408 332 S N -1.243 114.470 115.700 0.021 0.000 2.705 332 S HA 0.325 4.795 4.470 -0.001 0.000 0.280 332 S C 0.636 175.237 174.600 0.002 0.000 1.174 332 S CA -0.675 57.529 58.200 0.007 0.000 0.823 332 S CB 1.424 64.623 63.200 -0.003 0.000 1.162 332 S HN 0.110 nan 8.310 nan 0.000 0.487 333 N N 1.222 119.919 118.700 -0.005 0.000 2.396 333 N HA -0.051 4.689 4.740 -0.001 0.000 0.180 333 N C 0.619 176.116 175.510 -0.023 0.000 1.028 333 N CA 0.909 53.953 53.050 -0.011 0.000 0.893 333 N CB -0.251 38.230 38.487 -0.011 0.000 0.967 333 N HN 0.542 nan 8.380 nan 0.000 0.440 334 D N 0.338 120.720 120.400 -0.030 0.000 2.117 334 D HA -0.051 4.588 4.640 -0.001 0.000 0.198 334 D C 0.582 176.838 176.300 -0.074 0.000 0.982 334 D CA 0.574 54.546 54.000 -0.047 0.000 0.828 334 D CB -0.152 40.622 40.800 -0.045 0.000 0.967 334 D HN -0.030 nan 8.370 nan 0.000 0.464 335 S N -0.161 115.497 115.700 -0.070 0.000 2.549 335 S HA 0.065 4.535 4.470 -0.001 0.000 0.283 335 S C 1.284 175.811 174.600 -0.120 0.000 1.320 335 S CA -0.095 58.032 58.200 -0.121 0.000 1.058 335 S CB 0.907 64.073 63.200 -0.058 0.000 0.882 335 S HN 0.283 nan 8.310 nan 0.000 0.498 336 T N 1.925 116.321 114.554 -0.263 0.000 3.122 336 T HA 0.342 4.691 4.350 -0.001 0.000 0.250 336 T C 0.161 174.861 174.700 0.001 0.000 1.067 336 T CA -0.106 61.891 62.100 -0.172 0.000 0.966 336 T CB -0.442 68.294 68.868 -0.220 0.000 1.002 336 T HN 0.448 nan 8.240 nan 0.000 0.542 337 F N 1.826 121.840 119.950 0.105 0.000 2.575 337 F HA 0.591 5.118 4.527 -0.001 0.000 0.330 337 F C 0.920 176.789 175.800 0.116 0.000 1.056 337 F CA -1.595 56.475 58.000 0.118 0.000 0.964 337 F CB 1.697 40.743 39.000 0.077 0.000 1.258 337 F HN -0.044 nan 8.300 nan 0.000 0.484 338 T N -2.155 112.612 114.554 0.354 0.000 2.944 338 T HA 0.220 4.570 4.350 -0.001 0.000 0.284 338 T C 0.222 175.021 174.700 0.165 0.000 1.010 338 T CA -0.721 61.517 62.100 0.230 0.000 1.025 338 T CB 1.687 70.700 68.868 0.241 0.000 1.079 338 T HN 0.691 nan 8.240 nan 0.000 0.516 339 Q N -0.373 119.467 119.800 0.067 0.000 2.482 339 Q HA 0.087 4.426 4.340 -0.001 0.000 0.209 339 Q C -0.514 175.537 176.000 0.085 0.000 0.961 339 Q CA 0.322 56.170 55.803 0.076 0.000 0.945 339 Q CB -0.147 28.602 28.738 0.017 0.000 1.012 339 Q HN 0.671 nan 8.270 nan 0.000 0.515 340 Y N 0.776 121.071 120.300 -0.007 0.000 2.436 340 Y HA 0.155 4.704 4.550 -0.001 0.000 0.336 340 Y C 0.484 176.317 175.900 -0.112 0.000 1.049 340 Y CA -0.506 57.529 58.100 -0.109 0.000 1.294 340 Y CB 0.494 38.821 38.460 -0.220 0.000 1.179 340 Y HN -0.085 nan 8.280 nan 0.000 0.520 341 R N 1.851 122.423 120.500 0.120 0.000 2.460 341 R HA 0.411 4.751 4.340 -0.001 0.000 0.303 341 R C -0.923 175.342 176.300 -0.058 0.000 0.968 341 R CA -0.466 55.660 56.100 0.044 0.000 0.889 341 R CB 1.538 31.964 30.300 0.210 0.000 1.123 341 R HN 0.567 nan 8.270 nan 0.000 0.455 342 S N 3.136 118.769 115.700 -0.112 0.000 2.478 342 S HA 0.143 4.612 4.470 -0.001 0.000 0.312 342 S C 0.289 174.892 174.600 0.004 0.000 1.094 342 S CA -0.803 57.342 58.200 -0.091 0.000 1.081 342 S CB 0.568 63.658 63.200 -0.184 0.000 1.007 342 S HN 0.771 nan 8.310 nan 0.000 0.475 343 W N 5.546 126.892 121.300 0.076 0.000 2.335 343 W HA -0.197 4.462 4.660 -0.001 0.000 0.311 343 W C 1.542 178.191 176.519 0.217 0.000 1.213 343 W CA 1.785 59.216 57.345 0.144 0.000 1.274 343 W CB -0.774 28.785 29.460 0.165 0.000 1.148 343 W HN 0.968 nan 8.180 nan 0.000 0.498 344 Y N 0.431 120.520 120.300 -0.351 0.000 2.224 344 Y HA -0.242 4.307 4.550 -0.001 0.000 0.289 344 Y C 2.310 178.082 175.900 -0.214 0.000 1.146 344 Y CA 2.563 60.414 58.100 -0.414 0.000 1.182 344 Y CB -0.429 38.000 38.460 -0.053 0.000 0.983 344 Y HN -0.096 nan 8.280 nan 0.000 0.524 345 L N -0.998 120.263 121.223 0.063 0.000 2.156 345 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 345 L C 2.658 179.507 176.870 -0.035 0.000 1.095 345 L CA 0.951 55.863 54.840 0.120 0.000 0.770 345 L CB -1.151 40.895 42.059 -0.021 0.000 0.914 345 L HN 0.278 nan 8.230 nan 0.000 0.439 346 A N -0.418 122.309 122.820 -0.156 0.000 1.897 346 A HA -0.245 4.074 4.320 -0.001 0.000 0.215 346 A C 2.185 179.635 177.584 -0.223 0.000 1.181 346 A CA 1.053 52.993 52.037 -0.161 0.000 0.620 346 A CB -0.744 18.188 19.000 -0.112 0.000 0.821 346 A HN 0.406 nan 8.150 nan 0.000 0.443 347 Y N 0.760 120.796 120.300 -0.440 0.000 2.293 347 Y HA -0.113 4.437 4.550 -0.001 0.000 0.291 347 Y C 2.143 177.816 175.900 -0.379 0.000 1.137 347 Y CA 1.945 59.794 58.100 -0.417 0.000 1.202 347 Y CB 0.080 38.067 38.460 -0.788 0.000 0.990 347 Y HN 0.328 nan 8.280 nan 0.000 0.537 348 N N -2.126 116.310 118.700 -0.440 0.000 2.499 348 N HA -0.038 4.702 4.740 -0.001 0.000 0.182 348 N C 0.807 176.106 175.510 -0.352 0.000 1.034 348 N CA 0.984 53.753 53.050 -0.469 0.000 0.882 348 N CB -0.154 37.947 38.487 -0.643 0.000 1.125 348 N HN 0.360 nan 8.380 nan 0.000 0.436 349 Y N 0.705 120.866 120.300 -0.232 0.000 2.442 349 Y HA 0.365 4.915 4.550 -0.001 0.000 0.250 349 Y C 1.690 177.479 175.900 -0.185 0.000 1.113 349 Y CA -0.418 57.570 58.100 -0.188 0.000 1.273 349 Y CB 0.260 38.607 38.460 -0.189 0.000 1.138 349 Y HN -0.104 nan 8.280 nan 0.000 0.522 350 G N -0.080 108.693 108.800 -0.045 0.000 2.588 350 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.278 350 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.278 350 G C -0.709 174.138 174.900 -0.089 0.000 1.307 350 G CA -0.440 44.607 45.100 -0.088 0.000 1.016 350 G HN 0.085 nan 8.290 nan 0.000 0.503 351 D N 0.467 120.821 120.400 -0.077 0.000 2.382 351 D HA 0.071 4.711 4.640 -0.001 0.000 0.259 351 D C -1.015 175.235 176.300 -0.083 0.000 1.224 351 D CA -1.286 52.675 54.000 -0.066 0.000 0.894 351 D CB 1.617 42.391 40.800 -0.044 0.000 1.127 351 D HN 0.013 nan 8.370 nan 0.000 0.487 352 P HA -0.103 nan 4.420 nan 0.000 0.228 352 P C 0.682 177.938 177.300 -0.072 0.000 1.151 352 P CA 0.988 64.013 63.100 -0.123 0.000 0.770 352 P CB 0.512 32.139 31.700 -0.121 0.000 0.786 353 Q N -1.863 117.913 119.800 -0.040 0.000 2.391 353 Q HA 0.088 4.428 4.340 -0.001 0.000 0.243 353 Q C 1.850 177.857 176.000 0.012 0.000 0.874 353 Q CA 0.744 56.541 55.803 -0.009 0.000 0.950 353 Q CB 0.212 28.945 28.738 -0.007 0.000 1.103 353 Q HN 0.095 nan 8.270 nan 0.000 0.544 354 T N -0.271 114.282 114.554 -0.001 0.000 2.976 354 T HA 0.123 4.472 4.350 -0.001 0.000 0.257 354 T C 0.694 175.402 174.700 0.014 0.000 1.051 354 T CA 0.913 63.017 62.100 0.006 0.000 1.141 354 T CB 0.153 69.012 68.868 -0.014 0.000 0.881 354 T HN 0.345 nan 8.240 nan 0.000 0.461 355 G N -0.192 108.608 108.800 -0.000 0.000 3.107 355 G HA2 0.540 4.500 3.960 -0.001 0.000 0.232 355 G HA3 0.540 4.500 3.960 -0.001 0.000 0.232 355 G C 0.673 175.610 174.900 0.062 0.000 1.339 355 G CA -0.744 44.356 45.100 -0.000 0.000 1.033 355 G HN 0.197 nan 8.290 nan 0.000 0.567 356 I N -0.050 120.569 120.570 0.080 0.000 2.707 356 I HA -0.190 3.980 4.170 -0.001 0.000 0.266 356 I C 2.753 179.071 176.117 0.335 0.000 1.215 356 I CA 0.992 62.446 61.300 0.257 0.000 1.442 356 I CB 0.056 38.244 38.000 0.313 0.000 1.108 356 I HN 0.496 nan 8.210 nan 0.000 0.464 357 R N -0.293 120.228 120.500 0.035 0.000 2.148 357 R HA -0.165 4.175 4.340 -0.001 0.000 0.227 357 R C 2.407 178.737 176.300 0.051 0.000 1.103 357 R CA 1.597 57.572 56.100 -0.209 0.000 0.983 357 R CB -0.056 29.901 30.300 -0.572 0.000 0.874 357 R HN 0.255 nan 8.270 nan 0.000 0.451 358 S N -0.526 115.246 115.700 0.119 0.000 2.425 358 S HA -0.099 4.370 4.470 -0.001 0.000 0.225 358 S C 1.520 176.265 174.600 0.241 0.000 1.024 358 S CA 0.222 58.511 58.200 0.148 0.000 0.951 358 S CB -0.273 63.003 63.200 0.127 0.000 0.796 358 S HN 0.588 nan 8.310 nan 0.000 0.498 359 W N 1.680 123.046 121.300 0.111 0.000 2.402 359 W HA 0.104 4.764 4.660 -0.001 0.000 0.286 359 W C 0.979 177.576 176.519 0.130 0.000 1.221 359 W CA 1.301 58.721 57.345 0.125 0.000 1.257 359 W CB -0.207 29.352 29.460 0.166 0.000 1.120 359 W HN 0.315 nan 8.180 nan 0.000 0.551 360 T N -0.667 114.142 114.554 0.425 0.000 2.654 360 T HA 0.527 4.876 4.350 -0.001 0.000 0.289 360 T C -1.791 173.147 174.700 0.396 0.000 1.062 360 T CA -0.611 61.689 62.100 0.333 0.000 1.041 360 T CB 1.261 70.413 68.868 0.473 0.000 1.417 360 T HN -0.182 nan 8.240 nan 0.000 0.510 361 L N 1.796 123.146 121.223 0.211 0.000 2.455 361 L HA 0.730 5.070 4.340 -0.001 0.000 0.264 361 L C -1.692 175.081 176.870 -0.161 0.000 0.968 361 L CA -0.839 54.063 54.840 0.102 0.000 0.827 361 L CB 1.927 44.009 42.059 0.039 0.000 1.317 361 L HN 0.551 nan 8.230 nan 0.000 0.407 362 L N 5.000 125.960 121.223 -0.438 0.000 2.295 362 L HA 0.484 4.824 4.340 -0.001 0.000 0.288 362 L C -0.792 176.019 176.870 -0.098 0.000 1.079 362 L CA 0.087 54.728 54.840 -0.331 0.000 0.830 362 L CB -0.389 41.328 42.059 -0.571 0.000 1.200 362 L HN 0.759 nan 8.230 nan 0.000 0.438 363 C N 1.690 120.958 119.300 -0.055 0.000 2.595 363 C HA 0.730 5.190 4.460 -0.001 0.000 0.338 363 C C 0.823 175.799 174.990 -0.024 0.000 1.219 363 C CA -0.854 58.135 59.018 -0.048 0.000 1.811 363 C CB 1.415 29.107 27.740 -0.080 0.000 2.313 363 C HN 0.831 nan 8.230 nan 0.000 0.499 364 T N 0.734 115.267 114.554 -0.034 0.000 2.926 364 T HA 0.292 4.641 4.350 -0.001 0.000 0.307 364 T C -2.301 172.368 174.700 -0.052 0.000 1.059 364 T CA -0.652 61.427 62.100 -0.036 0.000 1.122 364 T CB 0.079 68.912 68.868 -0.059 0.000 0.972 364 T HN 0.631 nan 8.240 nan 0.000 0.545 365 P HA 0.111 nan 4.420 nan 0.000 0.261 365 P C -0.722 176.531 177.300 -0.077 0.000 1.183 365 P CA 0.139 63.196 63.100 -0.071 0.000 0.761 365 P CB 0.313 31.980 31.700 -0.055 0.000 0.785 366 D N 3.174 123.520 120.400 -0.091 0.000 2.412 366 D HA 0.042 4.682 4.640 -0.001 0.000 0.224 366 D C 0.983 177.238 176.300 -0.074 0.000 1.093 366 D CA -0.567 53.386 54.000 -0.078 0.000 0.850 366 D CB 1.108 41.857 40.800 -0.085 0.000 1.046 366 D HN -0.061 nan 8.370 nan 0.000 0.507 367 V N 3.707 123.587 119.914 -0.056 0.000 3.026 367 V HA -0.166 3.954 4.120 -0.001 0.000 0.265 367 V C 1.615 177.694 176.094 -0.024 0.000 1.121 367 V CA 2.273 64.550 62.300 -0.038 0.000 1.142 367 V CB -0.245 31.565 31.823 -0.023 0.000 0.730 367 V HN 0.666 nan 8.190 nan 0.000 0.503 368 T N -2.834 111.701 114.554 -0.031 0.000 3.010 368 T HA -0.031 4.319 4.350 -0.001 0.000 0.252 368 T C 1.294 175.965 174.700 -0.048 0.000 1.047 368 T CA 0.825 62.909 62.100 -0.027 0.000 1.140 368 T CB -0.191 68.666 68.868 -0.017 0.000 0.885 368 T HN 0.539 nan 8.240 nan 0.000 0.464 369 C N 0.153 119.415 119.300 -0.063 0.000 5.277 369 C HA -0.043 4.417 4.460 -0.001 0.000 0.225 369 C C 1.897 176.833 174.990 -0.089 0.000 1.237 369 C CA 0.316 59.285 59.018 -0.082 0.000 1.297 369 C CB -1.872 25.824 27.740 -0.072 0.000 1.947 369 C HN 0.844 nan 8.230 nan 0.000 0.642 370 G N -1.081 107.671 108.800 -0.080 0.000 4.130 370 G HA2 0.407 4.367 3.960 -0.001 0.000 0.162 370 G HA3 0.407 4.367 3.960 -0.001 0.000 0.162 370 G C 0.313 175.171 174.900 -0.071 0.000 1.099 370 G CA 0.764 45.811 45.100 -0.088 0.000 0.889 370 G HN 1.837 nan 8.290 nan 0.000 0.547 371 S N 1.465 117.134 115.700 -0.052 0.000 3.356 371 S HA -0.189 4.280 4.470 -0.001 0.000 0.376 371 S C -0.033 174.544 174.600 -0.040 0.000 0.924 371 S CA 1.310 59.490 58.200 -0.032 0.000 1.316 371 S CB -1.706 61.485 63.200 -0.015 0.000 0.922 371 S HN 0.704 nan 8.310 nan 0.000 0.553 372 E N 1.920 122.085 120.200 -0.059 0.000 2.349 372 E HA 0.206 4.556 4.350 -0.001 0.000 0.265 372 E C 0.863 177.420 176.600 -0.073 0.000 1.064 372 E CA -0.696 55.657 56.400 -0.077 0.000 0.886 372 E CB 0.470 30.103 29.700 -0.112 0.000 1.036 372 E HN 0.783 nan 8.360 nan 0.000 0.413 373 Q N 0.681 120.419 119.800 -0.103 0.000 2.260 373 Q HA 0.356 4.696 4.340 -0.001 0.000 0.242 373 Q C -0.169 175.684 176.000 -0.244 0.000 0.932 373 Q CA -0.633 55.105 55.803 -0.107 0.000 0.891 373 Q CB 1.216 29.920 28.738 -0.056 0.000 1.222 373 Q HN 0.305 nan 8.270 nan 0.000 0.453 374 V N -0.151 119.680 119.914 -0.138 0.000 2.975 374 V HA 0.671 4.791 4.120 -0.001 0.000 0.318 374 V C -1.021 175.051 176.094 -0.037 0.000 1.077 374 V CA -1.063 61.135 62.300 -0.171 0.000 1.000 374 V CB 0.904 32.688 31.823 -0.064 0.000 1.066 374 V HN 0.753 nan 8.190 nan 0.000 0.452 375 Y N -1.160 119.119 120.300 -0.034 0.000 2.442 375 Y HA 0.664 5.214 4.550 -0.001 0.000 0.344 375 Y C -0.884 174.947 175.900 -0.115 0.000 0.976 375 Y CA -1.054 57.040 58.100 -0.011 0.000 1.040 375 Y CB 1.150 39.654 38.460 0.073 0.000 1.228 375 Y HN 0.685 nan 8.280 nan 0.000 0.451 376 W N 1.772 123.117 121.300 0.075 0.000 2.316 376 W HA 0.635 5.294 4.660 -0.001 0.000 0.321 376 W C -0.489 176.024 176.519 -0.010 0.000 1.203 376 W CA -0.376 56.970 57.345 0.002 0.000 1.214 376 W CB 1.547 30.942 29.460 -0.107 0.000 1.169 376 W HN 0.462 nan 8.180 nan 0.000 0.561 377 S N 2.543 118.356 115.700 0.188 0.000 2.672 377 S HA 0.586 5.056 4.470 -0.001 0.000 0.291 377 S C -0.781 173.849 174.600 0.049 0.000 1.145 377 S CA -0.882 57.380 58.200 0.104 0.000 1.013 377 S CB 0.913 64.230 63.200 0.195 0.000 1.017 377 S HN 0.521 nan 8.310 nan 0.000 0.487 378 L N 2.581 123.789 121.223 -0.025 0.000 3.209 378 L HA 0.326 4.665 4.340 -0.001 0.000 0.279 378 L C -1.939 174.855 176.870 -0.128 0.000 1.301 378 L CA -1.590 53.216 54.840 -0.056 0.000 1.004 378 L CB 1.002 43.052 42.059 -0.015 0.000 1.402 378 L HN 0.460 nan 8.230 nan 0.000 0.577 379 P HA -0.025 nan 4.420 nan 0.000 0.239 379 P C 0.116 177.277 177.300 -0.231 0.000 1.184 379 P CA 0.731 63.673 63.100 -0.264 0.000 0.760 379 P CB 0.092 31.506 31.700 -0.477 0.000 0.884 380 D N -2.150 118.137 120.400 -0.190 0.000 2.340 380 D HA 0.179 4.818 4.640 -0.001 0.000 0.217 380 D C 1.417 177.663 176.300 -0.090 0.000 1.081 380 D CA 0.324 54.244 54.000 -0.132 0.000 0.842 380 D CB 0.142 40.873 40.800 -0.116 0.000 0.934 380 D HN 0.158 nan 8.370 nan 0.000 0.511 381 M N -0.944 118.604 119.600 -0.087 0.000 3.103 381 M HA 0.286 4.766 4.480 -0.001 0.000 0.208 381 M C -0.478 175.792 176.300 -0.051 0.000 1.849 381 M CA -0.030 55.233 55.300 -0.063 0.000 1.378 381 M CB 0.521 33.085 32.600 -0.060 0.000 1.142 381 M HN -0.190 nan 8.290 nan 0.000 0.600 382 M N 2.298 121.863 119.600 -0.058 0.000 2.249 382 M HA 0.036 4.516 4.480 -0.001 0.000 0.340 382 M C -0.447 175.821 176.300 -0.055 0.000 1.166 382 M CA 0.736 56.006 55.300 -0.050 0.000 1.115 382 M CB 0.661 33.224 32.600 -0.062 0.000 1.606 382 M HN 0.211 nan 8.290 nan 0.000 0.448 383 Q N 3.739 123.522 119.800 -0.029 0.000 2.276 383 Q HA 0.022 4.361 4.340 -0.001 0.000 0.267 383 Q C -0.584 175.377 176.000 -0.065 0.000 1.135 383 Q CA -0.291 55.496 55.803 -0.027 0.000 0.910 383 Q CB -0.262 28.480 28.738 0.006 0.000 1.271 383 Q HN 0.565 nan 8.270 nan 0.000 0.417 384 D N 5.091 125.440 120.400 -0.085 0.000 2.819 384 D HA -0.054 4.586 4.640 -0.001 0.000 0.236 384 D C -1.903 174.339 176.300 -0.098 0.000 1.181 384 D CA -0.587 53.335 54.000 -0.130 0.000 0.855 384 D CB -0.105 40.660 40.800 -0.057 0.000 1.146 384 D HN 0.255 nan 8.370 nan 0.000 0.540 385 P HA -0.060 nan 4.420 nan 0.000 0.272 385 P C 0.402 177.788 177.300 0.142 0.000 1.248 385 P CA -0.498 62.569 63.100 -0.055 0.000 0.799 385 P CB 0.291 31.913 31.700 -0.131 0.000 0.997 386 V N -3.030 116.976 119.914 0.153 0.000 2.694 386 V HA 0.154 4.274 4.120 -0.001 0.000 0.306 386 V C 1.492 177.716 176.094 0.216 0.000 1.054 386 V CA 0.786 63.173 62.300 0.145 0.000 1.161 386 V CB -0.856 31.016 31.823 0.083 0.000 0.916 386 V HN 1.098 nan 8.190 nan 0.000 0.490 387 T N 0.795 115.423 114.554 0.123 0.000 9.545 387 T HA -0.272 4.078 4.350 -0.001 0.000 0.344 387 T C -0.144 174.593 174.700 0.063 0.000 1.908 387 T CA 1.156 63.283 62.100 0.044 0.000 3.011 387 T CB -2.524 66.303 68.868 -0.068 0.000 2.298 387 T HN 1.015 nan 8.240 nan 0.000 0.992 388 F N 3.949 123.894 119.950 -0.008 0.000 2.472 388 F HA 0.565 5.092 4.527 -0.001 0.000 0.364 388 F C 1.398 177.203 175.800 0.008 0.000 1.090 388 F CA -0.855 57.143 58.000 -0.002 0.000 1.188 388 F CB 0.579 39.577 39.000 -0.005 0.000 1.105 388 F HN 0.112 nan 8.300 nan 0.000 0.536 389 R N 1.530 122.145 120.500 0.190 0.000 2.585 389 R HA -0.003 4.336 4.340 -0.001 0.000 0.275 389 R C 0.182 176.567 176.300 0.142 0.000 1.018 389 R CA -0.086 56.090 56.100 0.126 0.000 1.072 389 R CB 0.750 31.104 30.300 0.091 0.000 0.953 389 R HN 0.519 nan 8.270 nan 0.000 0.419 390 S N 1.681 117.437 115.700 0.094 0.000 2.411 390 S HA 0.164 4.634 4.470 -0.001 0.000 0.304 390 S C -0.081 174.567 174.600 0.080 0.000 1.098 390 S CA -0.151 58.090 58.200 0.068 0.000 1.068 390 S CB 0.327 63.548 63.200 0.036 0.000 1.032 390 S HN 0.563 nan 8.310 nan 0.000 0.511 391 T N 2.050 116.677 114.554 0.123 0.000 2.831 391 T HA 0.602 4.952 4.350 -0.001 0.000 0.287 391 T C 0.289 175.134 174.700 0.242 0.000 1.070 391 T CA -0.381 61.819 62.100 0.167 0.000 1.010 391 T CB 1.389 70.369 68.868 0.185 0.000 1.264 391 T HN 0.537 nan 8.240 nan 0.000 0.532 392 S N 0.346 116.208 115.700 0.269 0.000 2.937 392 S HA 0.268 4.738 4.470 -0.001 0.000 0.252 392 S C 0.134 174.910 174.600 0.294 0.000 1.022 392 S CA -0.486 57.926 58.200 0.354 0.000 1.079 392 S CB 0.010 63.314 63.200 0.172 0.000 1.035 392 S HN 0.683 nan 8.310 nan 0.000 0.594 393 Q N 1.807 121.715 119.800 0.179 0.000 2.349 393 Q HA 0.393 4.733 4.340 -0.001 0.000 0.254 393 Q C 0.339 176.077 176.000 -0.436 0.000 0.980 393 Q CA -0.411 55.362 55.803 -0.050 0.000 0.924 393 Q CB 0.366 29.098 28.738 -0.010 0.000 1.209 393 Q HN 0.513 nan 8.270 nan 0.000 0.445 394 I N 2.362 122.562 120.570 -0.617 0.000 3.102 394 I HA -0.234 3.936 4.170 -0.001 0.000 0.278 394 I C 1.498 177.174 176.117 -0.735 0.000 1.316 394 I CA 0.978 61.617 61.300 -1.101 0.000 1.425 394 I CB -0.253 37.442 38.000 -0.509 0.000 1.073 394 I HN 0.519 nan 8.210 nan 0.000 0.503 395 S N -1.457 113.988 115.700 -0.425 0.000 2.539 395 S HA 0.120 4.589 4.470 -0.001 0.000 0.221 395 S C 1.057 175.600 174.600 -0.095 0.000 0.987 395 S CA -0.429 57.652 58.200 -0.197 0.000 0.929 395 S CB -0.223 62.907 63.200 -0.116 0.000 0.832 395 S HN 0.593 nan 8.310 nan 0.000 0.492 396 N N 0.080 118.717 118.700 -0.105 0.000 2.217 396 N HA 0.222 4.962 4.740 -0.001 0.000 0.239 396 N C -1.235 174.414 175.510 0.232 0.000 1.330 396 N CA -0.270 52.820 53.050 0.067 0.000 0.838 396 N CB 0.392 38.917 38.487 0.063 0.000 1.287 396 N HN 0.112 nan 8.380 nan 0.000 0.498 397 F N 3.426 123.423 119.950 0.078 0.000 2.590 397 F HA 0.177 4.704 4.527 -0.001 0.000 0.389 397 F C -1.460 174.383 175.800 0.071 0.000 1.049 397 F CA -1.990 56.045 58.000 0.059 0.000 1.199 397 F CB -0.342 38.674 39.000 0.027 0.000 1.058 397 F HN 0.062 nan 8.300 nan 0.000 0.556 398 P HA -0.092 nan 4.420 nan 0.000 0.263 398 P C -0.400 176.734 177.300 -0.277 0.000 1.162 398 P CA 0.258 63.307 63.100 -0.085 0.000 0.758 398 P CB 0.432 32.026 31.700 -0.176 0.000 0.773 399 V N 4.060 123.565 119.914 -0.682 0.000 2.394 399 V HA 0.100 4.220 4.120 -0.001 0.000 0.282 399 V C 1.588 177.446 176.094 -0.393 0.000 1.031 399 V CA -0.179 61.910 62.300 -0.353 0.000 0.881 399 V CB 1.486 33.177 31.823 -0.220 0.000 0.982 399 V HN 0.516 nan 8.190 nan 0.000 0.451 400 V N 1.566 121.380 119.914 -0.167 0.000 3.565 400 V HA 0.715 4.835 4.120 -0.001 0.000 0.260 400 V C 0.686 176.742 176.094 -0.063 0.000 1.231 400 V CA 0.912 63.137 62.300 -0.125 0.000 1.100 400 V CB 0.124 31.902 31.823 -0.075 0.000 0.807 400 V HN 0.988 nan 8.190 nan 0.000 0.454 401 G N -0.850 107.925 108.800 -0.041 0.000 2.556 401 G HA2 0.708 4.667 3.960 -0.001 0.000 0.294 401 G HA3 0.708 4.667 3.960 -0.001 0.000 0.294 401 G C -1.486 173.439 174.900 0.041 0.000 1.516 401 G CA -0.138 44.912 45.100 -0.084 0.000 0.824 401 G HN 1.041 nan 8.290 nan 0.000 0.535 402 A N 0.898 123.814 122.820 0.160 0.000 2.385 402 A HA 0.821 5.141 4.320 -0.001 0.000 0.290 402 A C -0.351 177.448 177.584 0.359 0.000 1.094 402 A CA -0.458 51.781 52.037 0.336 0.000 0.729 402 A CB 1.409 20.673 19.000 0.440 0.000 1.194 402 A HN 0.592 nan 8.150 nan 0.000 0.442 403 E N 0.685 121.106 120.200 0.369 0.000 2.254 403 E HA 0.507 4.857 4.350 -0.001 0.000 0.261 403 E C -0.953 175.771 176.600 0.206 0.000 1.051 403 E CA -0.847 55.766 56.400 0.354 0.000 0.902 403 E CB 1.475 31.439 29.700 0.441 0.000 1.168 403 E HN 0.573 nan 8.360 nan 0.000 0.423 404 L N 2.561 123.878 121.223 0.156 0.000 2.305 404 L HA 0.232 4.572 4.340 -0.001 0.000 0.281 404 L C -0.830 176.095 176.870 0.092 0.000 1.085 404 L CA -0.228 54.666 54.840 0.091 0.000 0.813 404 L CB 0.900 42.997 42.059 0.062 0.000 1.157 404 L HN 0.454 nan 8.230 nan 0.000 0.436 405 L N 8.519 129.776 121.223 0.056 0.000 2.660 405 L HA 0.217 4.556 4.340 -0.001 0.000 0.272 405 L C -1.896 175.014 176.870 0.067 0.000 1.194 405 L CA -0.363 54.513 54.840 0.059 0.000 0.945 405 L CB -0.054 42.017 42.059 0.020 0.000 1.212 405 L HN 0.541 nan 8.230 nan 0.000 0.490 406 P HA 0.115 nan 4.420 nan 0.000 0.244 406 P C -1.434 175.933 177.300 0.110 0.000 1.769 406 P CA 0.040 63.204 63.100 0.107 0.000 1.102 406 P CB -0.159 31.633 31.700 0.154 0.000 1.937 407 V N 1.400 121.373 119.914 0.099 0.000 2.711 407 V HA 0.550 4.670 4.120 -0.001 0.000 0.304 407 V C -0.433 175.765 176.094 0.173 0.000 1.097 407 V CA -0.791 61.586 62.300 0.128 0.000 0.906 407 V CB 1.986 33.843 31.823 0.056 0.000 1.015 407 V HN 0.569 nan 8.190 nan 0.000 0.427 408 H N 1.654 120.735 119.070 0.019 0.000 2.864 408 H HA 0.735 5.290 4.556 -0.001 0.000 0.354 408 H C -0.711 174.616 175.328 -0.001 0.000 1.208 408 H CA -0.639 55.409 56.048 0.001 0.000 1.191 408 H CB 1.932 31.691 29.762 -0.006 0.000 1.889 408 H HN 0.626 nan 8.280 nan 0.000 0.574 409 S N 1.311 116.988 115.700 -0.038 0.000 2.465 409 S HA 0.272 4.742 4.470 -0.001 0.000 0.279 409 S C 0.054 174.447 174.600 -0.344 0.000 1.201 409 S CA -0.825 57.278 58.200 -0.162 0.000 1.053 409 S CB 0.831 63.979 63.200 -0.087 0.000 0.953 409 S HN 0.458 nan 8.310 nan 0.000 0.488 410 K N 2.938 123.105 120.400 -0.388 0.000 2.316 410 K HA 0.347 4.667 4.320 -0.001 0.000 0.267 410 K C -0.197 176.074 176.600 -0.548 0.000 1.025 410 K CA -0.348 55.658 56.287 -0.469 0.000 0.896 410 K CB 0.707 32.936 32.500 -0.453 0.000 1.124 410 K HN 0.700 nan 8.250 nan 0.000 0.451 411 S N 2.987 118.351 115.700 -0.559 0.000 2.586 411 S HA 0.671 5.140 4.470 -0.001 0.000 0.274 411 S C -0.310 173.804 174.600 -0.810 0.000 1.281 411 S CA -0.579 57.336 58.200 -0.475 0.000 1.035 411 S CB 0.441 63.491 63.200 -0.251 0.000 0.962 411 S HN 0.341 nan 8.310 nan 0.000 0.512 412 F N -0.151 119.779 119.950 -0.034 0.000 2.640 412 F HA 0.556 5.083 4.527 -0.001 0.000 0.324 412 F C -0.578 175.247 175.800 0.041 0.000 1.077 412 F CA -1.202 56.801 58.000 0.004 0.000 0.965 412 F CB 1.227 40.209 39.000 -0.030 0.000 1.351 412 F HN 0.594 nan 8.300 nan 0.000 0.487 413 Y N 0.868 121.257 120.300 0.148 0.000 2.446 413 Y HA 0.533 5.083 4.550 -0.001 0.000 0.338 413 Y C -0.821 175.104 175.900 0.041 0.000 1.055 413 Y CA -0.973 57.161 58.100 0.056 0.000 1.101 413 Y CB 1.761 40.232 38.460 0.018 0.000 1.221 413 Y HN 0.579 nan 8.280 nan 0.000 0.460 414 N N 2.507 121.093 118.700 -0.191 0.000 2.697 414 N HA 0.130 4.870 4.740 -0.001 0.000 0.271 414 N C -0.948 174.430 175.510 -0.220 0.000 1.149 414 N CA -0.239 52.742 53.050 -0.115 0.000 0.939 414 N CB 0.906 39.329 38.487 -0.107 0.000 1.534 414 N HN 0.579 nan 8.380 nan 0.000 0.556 415 D N 1.019 121.340 120.400 -0.131 0.000 2.349 415 D HA 0.028 4.668 4.640 -0.001 0.000 0.215 415 D C 0.577 176.664 176.300 -0.355 0.000 1.016 415 D CA 0.700 54.589 54.000 -0.186 0.000 0.870 415 D CB 0.481 41.235 40.800 -0.077 0.000 0.917 415 D HN 0.606 nan 8.370 nan 0.000 0.524 416 Q N -0.265 119.323 119.800 -0.354 0.000 2.491 416 Q HA 0.081 4.421 4.340 -0.001 0.000 0.214 416 Q C 1.599 177.477 176.000 -0.203 0.000 0.970 416 Q CA 0.138 55.691 55.803 -0.417 0.000 0.960 416 Q CB 0.259 28.900 28.738 -0.162 0.000 0.996 416 Q HN 0.173 nan 8.270 nan 0.000 0.524 417 A N 0.120 122.826 122.820 -0.190 0.000 2.014 417 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 417 A C 2.165 179.699 177.584 -0.084 0.000 1.163 417 A CA 0.753 52.719 52.037 -0.118 0.000 0.652 417 A CB -0.148 18.771 19.000 -0.134 0.000 0.808 417 A HN 0.233 nan 8.150 nan 0.000 0.449 418 V N -1.003 118.826 119.914 -0.142 0.000 2.307 418 V HA -0.245 3.874 4.120 -0.001 0.000 0.245 418 V C 1.775 177.928 176.094 0.098 0.000 1.045 418 V CA 1.558 63.825 62.300 -0.055 0.000 1.024 418 V CB -1.051 30.705 31.823 -0.112 0.000 0.651 418 V HN 0.780 nan 8.190 nan 0.000 0.449 419 Y N 0.359 120.656 120.300 -0.005 0.000 2.596 419 Y HA 0.169 4.719 4.550 -0.001 0.000 0.316 419 Y C 2.285 178.183 175.900 -0.003 0.000 1.156 419 Y CA 0.041 58.138 58.100 -0.006 0.000 1.300 419 Y CB -0.610 37.835 38.460 -0.025 0.000 1.130 419 Y HN 0.300 nan 8.280 nan 0.000 0.518 420 S N -0.306 115.459 115.700 0.109 0.000 2.399 420 S HA -0.262 4.207 4.470 -0.001 0.000 0.231 420 S C 1.598 176.257 174.600 0.099 0.000 1.022 420 S CA 1.089 59.332 58.200 0.072 0.000 0.983 420 S CB -0.230 62.986 63.200 0.027 0.000 0.803 420 S HN 0.599 nan 8.310 nan 0.000 0.480 421 Q N 1.056 120.922 119.800 0.110 0.000 2.084 421 Q HA 0.081 4.421 4.340 -0.001 0.000 0.202 421 Q C 1.906 177.986 176.000 0.132 0.000 0.978 421 Q CA 1.443 57.314 55.803 0.114 0.000 0.844 421 Q CB -0.508 28.291 28.738 0.100 0.000 0.898 421 Q HN 0.559 nan 8.270 nan 0.000 0.426 422 L N 0.503 121.806 121.223 0.132 0.000 2.650 422 L HA 0.000 4.340 4.340 -0.001 0.000 0.235 422 L C 1.741 178.664 176.870 0.088 0.000 1.149 422 L CA -0.004 54.897 54.840 0.101 0.000 0.887 422 L CB -0.230 41.825 42.059 -0.006 0.000 1.021 422 L HN 0.266 nan 8.230 nan 0.000 0.441 423 I N -0.388 120.249 120.570 0.111 0.000 2.188 423 I HA -0.184 3.985 4.170 -0.001 0.000 0.237 423 I C 2.576 178.781 176.117 0.147 0.000 1.073 423 I CA 0.836 62.199 61.300 0.104 0.000 1.359 423 I CB -0.175 37.878 38.000 0.087 0.000 1.083 423 I HN 0.280 nan 8.210 nan 0.000 0.412 424 R N 0.798 121.398 120.500 0.166 0.000 2.096 424 R HA -0.182 4.158 4.340 -0.001 0.000 0.235 424 R C 2.042 178.455 176.300 0.188 0.000 1.127 424 R CA 1.265 57.477 56.100 0.186 0.000 0.968 424 R CB -0.897 29.543 30.300 0.233 0.000 0.861 424 R HN 0.554 nan 8.270 nan 0.000 0.440 425 Q N -0.743 119.197 119.800 0.234 0.000 2.170 425 Q HA -0.084 4.255 4.340 -0.001 0.000 0.203 425 Q C 1.009 177.173 176.000 0.272 0.000 0.976 425 Q CA 1.296 57.250 55.803 0.252 0.000 0.858 425 Q CB 0.079 28.994 28.738 0.295 0.000 0.907 425 Q HN 0.276 nan 8.270 nan 0.000 0.433 426 F N -1.882 118.088 119.950 0.033 0.000 2.706 426 F HA 0.124 4.651 4.527 -0.001 0.000 0.308 426 F C 2.010 177.821 175.800 0.017 0.000 1.095 426 F CA 0.107 58.117 58.000 0.018 0.000 1.244 426 F CB 0.422 39.431 39.000 0.015 0.000 1.063 426 F HN -0.104 nan 8.300 nan 0.000 0.582 427 T N -1.284 113.387 114.554 0.194 0.000 2.614 427 T HA -0.158 4.191 4.350 -0.001 0.000 0.263 427 T C 1.803 176.548 174.700 0.074 0.000 1.055 427 T CA 2.137 64.309 62.100 0.120 0.000 1.162 427 T CB -0.232 68.706 68.868 0.116 0.000 0.863 427 T HN 0.177 nan 8.240 nan 0.000 0.414 428 S N -1.662 114.060 115.700 0.037 0.000 2.631 428 S HA 0.202 4.671 4.470 -0.001 0.000 0.248 428 S C 0.237 174.782 174.600 -0.091 0.000 0.949 428 S CA -0.186 58.002 58.200 -0.020 0.000 1.470 428 S CB -0.228 62.958 63.200 -0.023 0.000 1.248 428 S HN 0.305 nan 8.310 nan 0.000 0.662 429 L N 2.280 123.437 121.223 -0.109 0.000 3.858 429 L HA -0.219 4.121 4.340 -0.001 0.000 0.425 429 L C 1.123 177.639 176.870 -0.591 0.000 1.177 429 L CA 1.726 56.401 54.840 -0.274 0.000 0.943 429 L CB -1.893 40.063 42.059 -0.172 0.000 1.861 429 L HN 0.620 nan 8.230 nan 0.000 0.985 430 T N -4.871 109.438 114.554 -0.409 0.000 2.937 430 T HA 0.016 4.366 4.350 -0.001 0.000 0.260 430 T C 0.973 175.486 174.700 -0.311 0.000 1.051 430 T CA 0.588 62.490 62.100 -0.329 0.000 1.141 430 T CB -0.264 68.488 68.868 -0.193 0.000 0.879 430 T HN 0.572 nan 8.240 nan 0.000 0.459 431 H N 0.153 119.186 119.070 -0.061 0.000 2.741 431 H HA -0.109 4.447 4.556 -0.001 0.000 0.305 431 H C 1.237 176.474 175.328 -0.150 0.000 1.169 431 H CA 0.519 56.528 56.048 -0.064 0.000 1.144 431 H CB -2.484 27.248 29.762 -0.049 0.000 1.397 431 H HN 0.361 nan 8.280 nan 0.000 0.409 432 V N -0.828 118.970 119.914 -0.194 0.000 2.427 432 V HA -0.176 3.944 4.120 -0.001 0.000 0.248 432 V C 1.836 177.689 176.094 -0.402 0.000 1.051 432 V CA 2.026 64.098 62.300 -0.380 0.000 1.048 432 V CB -0.455 31.021 31.823 -0.579 0.000 0.666 432 V HN 0.305 nan 8.190 nan 0.000 0.456 433 F N 0.975 120.938 119.950 0.022 0.000 2.873 433 F HA 0.381 4.907 4.527 -0.001 0.000 0.289 433 F C 0.848 176.650 175.800 0.004 0.000 1.206 433 F CA 0.016 58.028 58.000 0.021 0.000 1.401 433 F CB -0.241 38.785 39.000 0.042 0.000 0.996 433 F HN 0.166 nan 8.300 nan 0.000 0.511 434 N N 0.418 119.132 118.700 0.023 0.000 2.971 434 N HA 0.016 4.755 4.740 -0.001 0.000 0.193 434 N C 0.803 176.205 175.510 -0.180 0.000 1.259 434 N CA 0.019 53.057 53.050 -0.020 0.000 1.656 434 N CB 0.058 38.589 38.487 0.073 0.000 1.566 434 N HN -0.118 nan 8.380 nan 0.000 0.631 435 R N -0.218 119.988 120.500 -0.490 0.000 2.280 435 R HA 0.176 4.515 4.340 -0.001 0.000 0.207 435 R C -0.165 175.725 176.300 -0.684 0.000 1.043 435 R CA 0.803 56.482 56.100 -0.702 0.000 1.006 435 R CB -0.202 29.519 30.300 -0.966 0.000 0.885 435 R HN 0.328 nan 8.270 nan 0.000 0.467 436 F N 0.290 120.254 119.950 0.023 0.000 2.597 436 F HA 0.329 4.856 4.527 -0.001 0.000 0.336 436 F C -1.562 174.250 175.800 0.021 0.000 1.432 436 F CA -2.018 55.995 58.000 0.021 0.000 1.120 436 F CB 1.147 40.160 39.000 0.022 0.000 1.253 436 F HN -0.167 nan 8.300 nan 0.000 0.546 437 P HA -0.202 nan 4.420 nan 0.000 0.220 437 P C 1.306 178.648 177.300 0.069 0.000 1.148 437 P CA 1.510 64.628 63.100 0.030 0.000 0.803 437 P CB 0.316 31.956 31.700 -0.099 0.000 0.782 438 E N -0.163 120.092 120.200 0.091 0.000 2.112 438 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 438 E C 0.862 177.554 176.600 0.153 0.000 0.979 438 E CA 0.478 56.937 56.400 0.098 0.000 0.814 438 E CB -1.395 28.351 29.700 0.076 0.000 0.762 438 E HN 0.158 nan 8.360 nan 0.000 0.460 439 N N 1.724 120.547 118.700 0.205 0.000 2.475 439 N HA -0.052 4.688 4.740 -0.001 0.000 0.267 439 N C 0.250 175.907 175.510 0.246 0.000 1.169 439 N CA 0.047 53.263 53.050 0.276 0.000 0.947 439 N CB 0.849 39.485 38.487 0.248 0.000 1.061 439 N HN 0.068 nan 8.380 nan 0.000 0.466 440 Q N 3.290 123.284 119.800 0.322 0.000 2.373 440 Q HA 0.092 4.432 4.340 -0.001 0.000 0.206 440 Q C 0.615 176.748 176.000 0.221 0.000 0.942 440 Q CA 0.175 56.146 55.803 0.280 0.000 0.953 440 Q CB 0.280 29.232 28.738 0.358 0.000 1.022 440 Q HN 0.686 nan 8.270 nan 0.000 0.502 441 I N -1.743 118.845 120.570 0.030 0.000 3.534 441 I HA -0.092 4.077 4.170 -0.001 0.000 0.251 441 I C 1.031 177.071 176.117 -0.128 0.000 1.136 441 I CA 0.201 61.419 61.300 -0.136 0.000 1.475 441 I CB 0.153 37.799 38.000 -0.590 0.000 1.526 441 I HN 0.008 nan 8.210 nan 0.000 0.454 442 L N 1.510 122.645 121.223 -0.147 0.000 2.622 442 L HA 0.235 4.574 4.340 -0.001 0.000 0.233 442 L C 1.297 178.314 176.870 0.246 0.000 1.156 442 L CA 0.067 54.874 54.840 -0.056 0.000 0.866 442 L CB -1.870 39.995 42.059 -0.324 0.000 0.980 442 L HN 0.156 nan 8.230 nan 0.000 0.448 443 A N 0.503 123.433 122.820 0.182 0.000 2.504 443 A HA 0.069 4.388 4.320 -0.001 0.000 0.242 443 A C 0.704 178.383 177.584 0.158 0.000 1.100 443 A CA -0.260 51.887 52.037 0.184 0.000 0.786 443 A CB -0.145 18.936 19.000 0.134 0.000 1.050 443 A HN 0.528 nan 8.150 nan 0.000 0.512 444 R N 1.072 121.646 120.500 0.123 0.000 2.488 444 R HA 0.194 4.533 4.340 -0.001 0.000 0.317 444 R C -2.528 173.826 176.300 0.090 0.000 0.941 444 R CA -0.732 55.434 56.100 0.109 0.000 1.076 444 R CB -0.544 29.814 30.300 0.098 0.000 0.917 444 R HN 0.435 nan 8.270 nan 0.000 0.407 445 P HA 0.137 nan 4.420 nan 0.000 0.271 445 P C -2.357 174.963 177.300 0.034 0.000 1.218 445 P CA -1.373 61.764 63.100 0.062 0.000 0.780 445 P CB 0.294 32.035 31.700 0.069 0.000 0.901 446 P HA 0.161 nan 4.420 nan 0.000 0.272 446 P C -0.546 176.739 177.300 -0.025 0.000 1.240 446 P CA -0.145 62.951 63.100 -0.007 0.000 0.791 446 P CB 0.431 32.118 31.700 -0.023 0.000 0.978 447 A N 2.047 124.844 122.820 -0.038 0.000 2.295 447 A HA 0.665 4.985 4.320 -0.001 0.000 0.318 447 A C -2.335 175.199 177.584 -0.084 0.000 1.134 447 A CA -1.623 50.378 52.037 -0.059 0.000 0.827 447 A CB -0.526 18.439 19.000 -0.060 0.000 1.136 447 A HN 0.364 nan 8.150 nan 0.000 0.493 448 P HA 0.274 nan 4.420 nan 0.000 0.278 448 P C 0.929 178.152 177.300 -0.129 0.000 1.258 448 P CA -0.143 62.908 63.100 -0.083 0.000 0.811 448 P CB 0.752 32.449 31.700 -0.005 0.000 1.063 449 T N -1.422 113.038 114.554 -0.157 0.000 2.867 449 T HA -0.024 4.326 4.350 -0.001 0.000 0.268 449 T C 0.888 175.262 174.700 -0.543 0.000 1.057 449 T CA 0.961 62.829 62.100 -0.386 0.000 1.136 449 T CB -0.824 67.820 68.868 -0.374 0.000 0.874 449 T HN 0.403 nan 8.240 nan 0.000 0.466 450 I N 0.958 121.363 120.570 -0.276 0.000 2.390 450 I HA 0.509 4.678 4.170 -0.001 0.000 0.283 450 I C -0.884 175.188 176.117 -0.075 0.000 1.016 450 I CA -0.911 60.286 61.300 -0.173 0.000 1.151 450 I CB 1.520 39.447 38.000 -0.121 0.000 1.293 450 I HN -0.261 nan 8.210 nan 0.000 0.458 451 T N 4.129 118.672 114.554 -0.019 0.000 2.799 451 T HA 0.532 4.881 4.350 -0.001 0.000 0.286 451 T C 0.377 175.121 174.700 0.073 0.000 0.973 451 T CA -0.547 61.563 62.100 0.017 0.000 1.035 451 T CB 1.193 70.065 68.868 0.006 0.000 0.932 451 T HN 0.746 nan 8.240 nan 0.000 0.469 452 T N 0.164 114.726 114.554 0.013 0.000 2.859 452 T HA 0.709 5.059 4.350 -0.001 0.000 0.281 452 T C -0.399 174.312 174.700 0.018 0.000 1.005 452 T CA -0.789 61.307 62.100 -0.007 0.000 1.025 452 T CB 1.255 70.090 68.868 -0.055 0.000 0.977 452 T HN 0.319 nan 8.240 nan 0.000 0.458 453 V N 2.871 122.806 119.914 0.036 0.000 2.531 453 V HA 0.459 4.579 4.120 -0.001 0.000 0.301 453 V C 0.370 176.483 176.094 0.033 0.000 1.034 453 V CA -1.043 61.265 62.300 0.014 0.000 0.865 453 V CB 2.214 34.022 31.823 -0.025 0.000 0.995 453 V HN 1.177 nan 8.190 nan 0.000 0.424 454 S N 3.416 119.192 115.700 0.126 0.000 2.519 454 S HA 0.174 4.644 4.470 -0.001 0.000 0.320 454 S C -0.128 174.589 174.600 0.195 0.000 1.179 454 S CA -0.180 58.107 58.200 0.145 0.000 1.173 454 S CB -0.053 63.233 63.200 0.144 0.000 1.224 454 S HN 0.806 nan 8.310 nan 0.000 0.542 455 E N 3.728 123.975 120.200 0.078 0.000 2.146 455 E HA 0.132 4.482 4.350 -0.001 0.000 0.282 455 E C -0.355 176.338 176.600 0.156 0.000 0.989 455 E CA -0.611 55.852 56.400 0.105 0.000 0.799 455 E CB 0.507 30.207 29.700 0.000 0.000 1.088 455 E HN 0.674 nan 8.360 nan 0.000 0.397 456 N N 2.522 121.321 118.700 0.165 0.000 2.492 456 N HA 0.118 4.857 4.740 -0.001 0.000 0.260 456 N C -0.864 174.782 175.510 0.227 0.000 1.215 456 N CA 0.139 53.301 53.050 0.186 0.000 0.923 456 N CB 1.746 40.334 38.487 0.167 0.000 1.092 456 N HN 0.202 nan 8.380 nan 0.000 0.448 457 V N 3.278 123.325 119.914 0.221 0.000 2.971 457 V HA 0.339 4.459 4.120 -0.001 0.000 0.309 457 V C -2.398 173.735 176.094 0.064 0.000 1.130 457 V CA -1.981 60.383 62.300 0.107 0.000 0.964 457 V CB 2.585 34.467 31.823 0.098 0.000 1.029 457 V HN 0.491 nan 8.190 nan 0.000 0.427 458 P HA 0.318 nan 4.420 nan 0.000 0.267 458 P C -1.123 176.180 177.300 0.005 0.000 1.209 458 P CA 0.239 63.277 63.100 -0.103 0.000 0.763 458 P CB 0.709 32.286 31.700 -0.204 0.000 0.816 459 A N 4.253 127.121 122.820 0.080 0.000 2.288 459 A HA 0.614 4.934 4.320 -0.001 0.000 0.320 459 A C -0.831 176.798 177.584 0.075 0.000 1.217 459 A CA -0.395 51.689 52.037 0.078 0.000 0.840 459 A CB 0.042 19.121 19.000 0.132 0.000 1.179 459 A HN 0.444 nan 8.150 nan 0.000 0.504 460 L N 1.475 122.712 121.223 0.024 0.000 2.481 460 L HA 0.574 4.914 4.340 -0.001 0.000 0.255 460 L C -0.338 176.503 176.870 -0.048 0.000 1.192 460 L CA -0.710 54.128 54.840 -0.004 0.000 0.924 460 L CB -0.033 42.019 42.059 -0.012 0.000 1.179 460 L HN 0.392 nan 8.230 nan 0.000 0.491 461 T N -1.935 112.566 114.554 -0.088 0.000 2.876 461 T HA 0.479 4.829 4.350 -0.001 0.000 0.289 461 T C -0.757 173.737 174.700 -0.343 0.000 1.014 461 T CA -0.502 61.493 62.100 -0.176 0.000 0.986 461 T CB 2.352 71.132 68.868 -0.147 0.000 1.021 461 T HN 0.391 nan 8.240 nan 0.000 0.458 462 D N -0.085 120.130 120.400 -0.309 0.000 2.336 462 D HA 0.220 4.859 4.640 -0.001 0.000 0.249 462 D C 0.601 176.626 176.300 -0.459 0.000 1.213 462 D CA -0.158 53.658 54.000 -0.307 0.000 0.870 462 D CB 0.472 41.171 40.800 -0.167 0.000 1.076 462 D HN 0.622 nan 8.370 nan 0.000 0.483 463 H N 2.503 121.511 119.070 -0.102 0.000 2.551 463 H HA 0.270 4.825 4.556 -0.001 0.000 0.266 463 H C 1.329 176.627 175.328 -0.051 0.000 0.977 463 H CA 0.708 56.708 56.048 -0.079 0.000 1.163 463 H CB 0.435 30.122 29.762 -0.126 0.000 1.381 463 H HN 0.639 nan 8.280 nan 0.000 0.581 464 G N -0.182 108.580 108.800 -0.063 0.000 2.548 464 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.208 464 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.208 464 G C -0.517 174.377 174.900 -0.010 0.000 1.308 464 G CA -0.430 44.653 45.100 -0.028 0.000 0.924 464 G HN 0.242 nan 8.290 nan 0.000 0.540 465 T N 0.658 115.212 114.554 -0.001 0.000 2.756 465 T HA 0.663 5.013 4.350 -0.001 0.000 0.290 465 T C 0.167 174.876 174.700 0.014 0.000 0.985 465 T CA -0.299 61.805 62.100 0.008 0.000 0.955 465 T CB 1.441 70.316 68.868 0.012 0.000 0.930 465 T HN 0.630 nan 8.240 nan 0.000 0.451 466 L N 4.762 125.994 121.223 0.016 0.000 2.330 466 L HA 0.552 4.892 4.340 -0.001 0.000 0.271 466 L C -2.042 174.845 176.870 0.028 0.000 1.013 466 L CA -2.657 52.190 54.840 0.011 0.000 0.816 466 L CB 1.692 43.749 42.059 -0.003 0.000 1.287 466 L HN 0.379 nan 8.230 nan 0.000 0.435 467 P HA 0.098 nan 4.420 nan 0.000 0.269 467 P C -1.191 176.147 177.300 0.064 0.000 1.209 467 P CA -0.252 62.881 63.100 0.056 0.000 0.776 467 P CB 1.203 32.921 31.700 0.030 0.000 0.876 468 L N 2.553 123.849 121.223 0.121 0.000 2.385 468 L HA 0.435 4.774 4.340 -0.001 0.000 0.273 468 L C 0.422 177.370 176.870 0.131 0.000 0.990 468 L CA -0.925 53.978 54.840 0.106 0.000 0.821 468 L CB 1.530 43.672 42.059 0.138 0.000 1.279 468 L HN 0.335 nan 8.230 nan 0.000 0.412 469 R N 2.089 122.629 120.500 0.067 0.000 2.543 469 R HA 0.143 4.483 4.340 -0.001 0.000 0.277 469 R C 0.028 176.359 176.300 0.052 0.000 1.074 469 R CA -0.150 55.990 56.100 0.067 0.000 1.076 469 R CB 0.648 30.962 30.300 0.023 0.000 0.993 469 R HN 0.714 nan 8.270 nan 0.000 0.459 470 N N 0.347 119.093 118.700 0.076 0.000 2.314 470 N HA -0.004 4.736 4.740 -0.001 0.000 0.200 470 N C -1.081 174.424 175.510 -0.007 0.000 1.135 470 N CA -0.098 52.986 53.050 0.057 0.000 0.835 470 N CB 0.852 39.437 38.487 0.162 0.000 0.989 470 N HN 0.413 nan 8.380 nan 0.000 0.478 471 S N 0.052 115.744 115.700 -0.013 0.000 2.620 471 S HA 0.433 4.902 4.470 -0.001 0.000 0.244 471 S C -0.686 173.897 174.600 -0.029 0.000 1.192 471 S CA -0.842 57.345 58.200 -0.022 0.000 1.148 471 S CB 0.110 63.306 63.200 -0.008 0.000 1.106 471 S HN 0.087 nan 8.310 nan 0.000 0.474 472 I N 2.720 123.264 120.570 -0.043 0.000 2.307 472 I HA 0.447 4.617 4.170 -0.001 0.000 0.289 472 I C 1.104 177.201 176.117 -0.034 0.000 1.021 472 I CA -0.702 60.570 61.300 -0.047 0.000 1.224 472 I CB 0.999 38.957 38.000 -0.069 0.000 1.376 472 I HN 0.808 nan 8.210 nan 0.000 0.470 473 G N 3.702 112.484 108.800 -0.029 0.000 2.484 473 G HA2 0.187 4.147 3.960 -0.001 0.000 0.235 473 G HA3 0.187 4.147 3.960 -0.001 0.000 0.235 473 G C 0.978 175.867 174.900 -0.019 0.000 1.282 473 G CA -0.342 44.746 45.100 -0.019 0.000 0.857 473 G HN 0.905 nan 8.290 nan 0.000 0.571 474 G N -0.648 108.147 108.800 -0.009 0.000 3.234 474 G HA2 0.314 4.273 3.960 -0.001 0.000 0.221 474 G HA3 0.314 4.273 3.960 -0.001 0.000 0.221 474 G C 0.371 175.272 174.900 0.002 0.000 1.229 474 G CA 0.709 45.803 45.100 -0.010 0.000 0.909 474 G HN 1.368 nan 8.290 nan 0.000 0.510 475 V N -3.016 116.898 119.914 -0.000 0.000 2.666 475 V HA 0.350 4.469 4.120 -0.001 0.000 0.269 475 V C -0.628 175.462 176.094 -0.007 0.000 0.926 475 V CA -1.239 61.067 62.300 0.010 0.000 1.035 475 V CB 0.288 32.120 31.823 0.014 0.000 1.099 475 V HN -0.000 nan 8.190 nan 0.000 0.519 476 Q N 1.958 121.750 119.800 -0.015 0.000 2.299 476 Q HA 0.491 4.830 4.340 -0.001 0.000 0.246 476 Q C -0.245 175.714 176.000 -0.067 0.000 0.935 476 Q CA -0.060 55.714 55.803 -0.048 0.000 0.887 476 Q CB 2.354 31.061 28.738 -0.052 0.000 1.223 476 Q HN 0.753 nan 8.270 nan 0.000 0.439 477 R N 0.945 121.384 120.500 -0.100 0.000 2.338 477 R HA 0.480 4.819 4.340 -0.001 0.000 0.317 477 R C -1.153 175.043 176.300 -0.173 0.000 0.968 477 R CA -0.392 55.642 56.100 -0.111 0.000 0.849 477 R CB 0.894 31.165 30.300 -0.048 0.000 1.128 477 R HN 0.323 nan 8.270 nan 0.000 0.448 478 V N 3.171 122.880 119.914 -0.340 0.000 2.435 478 V HA 0.499 4.619 4.120 -0.001 0.000 0.290 478 V C -0.292 175.670 176.094 -0.220 0.000 1.030 478 V CA -0.618 61.445 62.300 -0.396 0.000 0.881 478 V CB 1.886 33.178 31.823 -0.885 0.000 0.983 478 V HN 0.804 nan 8.190 nan 0.000 0.445 479 T N 5.756 120.269 114.554 -0.068 0.000 3.031 479 T HA 0.463 4.812 4.350 -0.001 0.000 0.305 479 T C -0.640 174.012 174.700 -0.081 0.000 0.985 479 T CA -0.266 61.840 62.100 0.010 0.000 1.008 479 T CB 0.875 69.850 68.868 0.178 0.000 1.005 479 T HN 0.393 nan 8.240 nan 0.000 0.444 480 I N 4.302 124.780 120.570 -0.153 0.000 2.282 480 I HA 0.258 4.428 4.170 -0.001 0.000 0.290 480 I C 1.332 177.404 176.117 -0.075 0.000 1.090 480 I CA -0.663 60.481 61.300 -0.260 0.000 1.231 480 I CB -0.386 37.397 38.000 -0.363 0.000 1.434 480 I HN 0.640 nan 8.210 nan 0.000 0.487 481 T N 2.715 117.269 114.554 0.000 0.000 2.847 481 T HA 0.375 4.724 4.350 -0.001 0.000 0.279 481 T C 0.088 174.817 174.700 0.048 0.000 0.984 481 T CA -0.585 61.562 62.100 0.078 0.000 0.988 481 T CB 2.003 70.985 68.868 0.190 0.000 1.040 481 T HN 0.620 nan 8.240 nan 0.000 0.528 482 D N 0.185 120.627 120.400 0.069 0.000 2.595 482 D HA 0.358 4.998 4.640 -0.001 0.000 0.268 482 D C 1.321 177.515 176.300 -0.177 0.000 1.181 482 D CA -0.454 53.529 54.000 -0.027 0.000 1.085 482 D CB 1.062 41.957 40.800 0.159 0.000 1.186 482 D HN 0.661 nan 8.370 nan 0.000 0.621 483 A N -0.666 122.021 122.820 -0.222 0.000 2.216 483 A HA -0.067 4.253 4.320 -0.001 0.000 0.214 483 A C 1.759 179.366 177.584 0.039 0.000 1.160 483 A CA 0.694 52.611 52.037 -0.200 0.000 0.725 483 A CB -0.565 18.340 19.000 -0.158 0.000 0.784 483 A HN 0.478 nan 8.150 nan 0.000 0.472 484 R N -1.340 119.222 120.500 0.104 0.000 2.662 484 R HA 0.246 4.585 4.340 -0.001 0.000 0.396 484 R C -0.293 176.107 176.300 0.166 0.000 1.096 484 R CA -0.401 55.789 56.100 0.151 0.000 1.081 484 R CB 0.120 30.532 30.300 0.186 0.000 1.382 484 R HN 0.406 nan 8.270 nan 0.000 0.580 485 R N 1.569 122.189 120.500 0.199 0.000 3.184 485 R HA -0.201 4.139 4.340 -0.001 0.000 0.242 485 R C -0.717 175.632 176.300 0.081 0.000 0.907 485 R CA 0.897 57.102 56.100 0.175 0.000 0.618 485 R CB -0.669 29.736 30.300 0.176 0.000 1.016 485 R HN 0.114 nan 8.270 nan 0.000 0.469 486 R N -0.449 120.109 120.500 0.097 0.000 2.803 486 R HA 0.281 4.620 4.340 -0.001 0.000 0.276 486 R C 0.336 176.624 176.300 -0.021 0.000 0.978 486 R CA -0.511 55.581 56.100 -0.012 0.000 0.939 486 R CB 1.426 31.681 30.300 -0.076 0.000 1.179 486 R HN 0.213 nan 8.270 nan 0.000 0.472 487 T N -1.670 112.815 114.554 -0.115 0.000 2.930 487 T HA 0.039 4.389 4.350 -0.001 0.000 0.306 487 T C 0.281 174.944 174.700 -0.061 0.000 1.045 487 T CA -0.348 61.707 62.100 -0.076 0.000 1.134 487 T CB 0.424 69.238 68.868 -0.090 0.000 0.961 487 T HN 0.555 nan 8.240 nan 0.000 0.545 488 C N 7.414 126.745 119.300 0.052 0.000 2.265 488 C HA 0.598 5.057 4.460 -0.001 0.000 0.332 488 C C -1.820 173.216 174.990 0.076 0.000 1.248 488 C CA -1.803 57.310 59.018 0.159 0.000 1.727 488 C CB 0.185 28.045 27.740 0.200 0.000 2.348 488 C HN 0.816 nan 8.230 nan 0.000 0.519 489 P HA 0.200 nan 4.420 nan 0.000 0.243 489 P C -0.350 176.821 177.300 -0.214 0.000 1.672 489 P CA 0.473 63.480 63.100 -0.155 0.000 1.000 489 P CB -0.475 31.057 31.700 -0.281 0.000 1.562 490 Y N -1.513 118.851 120.300 0.107 0.000 2.500 490 Y HA 0.170 4.719 4.550 -0.001 0.000 0.246 490 Y C 0.777 176.768 175.900 0.151 0.000 1.146 490 Y CA -0.312 57.867 58.100 0.132 0.000 1.230 490 Y CB 1.125 39.641 38.460 0.093 0.000 1.214 490 Y HN -0.313 nan 8.280 nan 0.000 0.526 491 V N 1.697 121.781 119.914 0.284 0.000 2.370 491 V HA -0.060 4.060 4.120 -0.001 0.000 0.257 491 V C 0.271 176.535 176.094 0.282 0.000 1.064 491 V CA 0.423 62.855 62.300 0.220 0.000 0.975 491 V CB -0.333 31.598 31.823 0.180 0.000 1.067 491 V HN 0.394 nan 8.190 nan 0.000 0.485 492 Y N 3.078 123.343 120.300 -0.058 0.000 2.397 492 Y HA 0.186 4.736 4.550 -0.001 0.000 0.292 492 Y C 1.440 176.971 175.900 -0.616 0.000 1.115 492 Y CA 0.576 58.538 58.100 -0.229 0.000 1.208 492 Y CB 0.590 38.960 38.460 -0.151 0.000 1.046 492 Y HN 0.390 nan 8.280 nan 0.000 0.552 493 K N 0.468 120.758 120.400 -0.183 0.000 2.579 493 K HA 0.656 4.976 4.320 -0.001 0.000 0.250 493 K C -1.447 175.224 176.600 0.119 0.000 0.952 493 K CA -0.348 55.863 56.287 -0.126 0.000 0.857 493 K CB 1.181 33.662 32.500 -0.033 0.000 1.123 493 K HN -0.008 nan 8.250 nan 0.000 0.433 494 A N 3.691 126.645 122.820 0.223 0.000 2.350 494 A HA 0.879 5.198 4.320 -0.001 0.000 0.324 494 A C -1.676 176.198 177.584 0.485 0.000 1.118 494 A CA -0.624 51.674 52.037 0.435 0.000 0.783 494 A CB 0.984 20.273 19.000 0.481 0.000 1.236 494 A HN 0.588 nan 8.150 nan 0.000 0.457 495 L N 0.499 122.030 121.223 0.512 0.000 2.469 495 L HA 0.846 5.186 4.340 -0.001 0.000 0.256 495 L C -0.073 176.981 176.870 0.305 0.000 1.006 495 L CA 0.205 55.267 54.840 0.369 0.000 0.832 495 L CB 2.456 44.657 42.059 0.237 0.000 1.421 495 L HN 1.046 nan 8.230 nan 0.000 0.410 496 G N 2.818 111.757 108.800 0.231 0.000 2.741 496 G HA2 0.633 4.593 3.960 -0.001 0.000 0.293 496 G HA3 0.633 4.593 3.960 -0.001 0.000 0.293 496 G C -1.693 173.288 174.900 0.135 0.000 1.457 496 G CA -0.263 44.920 45.100 0.138 0.000 1.098 496 G HN 0.458 nan 8.290 nan 0.000 0.536 497 I N 2.508 123.113 120.570 0.058 0.000 2.382 497 I HA 0.360 4.530 4.170 -0.001 0.000 0.286 497 I C -0.465 175.611 176.117 -0.067 0.000 1.002 497 I CA -1.006 60.305 61.300 0.019 0.000 1.135 497 I CB 2.094 40.116 38.000 0.036 0.000 1.288 497 I HN 0.085 nan 8.210 nan 0.000 0.448 498 V N 4.579 124.421 119.914 -0.120 0.000 2.513 498 V HA 0.418 4.538 4.120 -0.001 0.000 0.299 498 V C 0.001 176.000 176.094 -0.159 0.000 1.035 498 V CA -0.539 61.691 62.300 -0.117 0.000 0.889 498 V CB 1.808 33.574 31.823 -0.095 0.000 0.988 498 V HN 0.780 nan 8.190 nan 0.000 0.440 499 S N 5.579 121.213 115.700 -0.109 0.000 2.406 499 S HA 0.394 4.864 4.470 -0.001 0.000 0.224 499 S C -2.660 171.911 174.600 -0.049 0.000 1.426 499 S CA -1.170 56.971 58.200 -0.098 0.000 1.179 499 S CB 0.790 63.945 63.200 -0.075 0.000 1.042 499 S HN 0.618 nan 8.310 nan 0.000 0.479 500 P HA 0.276 nan 4.420 nan 0.000 0.271 500 P C -0.419 176.952 177.300 0.119 0.000 1.216 500 P CA -0.235 62.857 63.100 -0.012 0.000 0.776 500 P CB 0.528 32.108 31.700 -0.200 0.000 0.881 501 R N 0.379 121.090 120.500 0.351 0.000 2.663 501 R HA 0.562 4.901 4.340 -0.001 0.000 0.267 501 R C -0.637 175.888 176.300 0.375 0.000 1.038 501 R CA -1.172 55.169 56.100 0.401 0.000 0.886 501 R CB 0.430 30.831 30.300 0.168 0.000 1.249 501 R HN 0.155 nan 8.270 nan 0.000 0.463 502 V N 0.508 120.467 119.914 0.075 0.000 3.051 502 V HA 0.196 4.315 4.120 -0.001 0.000 0.306 502 V C 0.460 176.446 176.094 -0.181 0.000 1.083 502 V CA -0.581 61.501 62.300 -0.363 0.000 1.104 502 V CB 0.642 32.220 31.823 -0.409 0.000 1.027 502 V HN 0.707 nan 8.190 nan 0.000 0.483 503 L N 0.930 122.015 121.223 -0.231 0.000 3.195 503 L HA 0.271 4.611 4.340 -0.001 0.000 0.290 503 L C 0.938 177.757 176.870 -0.085 0.000 1.092 503 L CA 1.240 56.020 54.840 -0.100 0.000 1.094 503 L CB 0.139 42.182 42.059 -0.027 0.000 1.743 503 L HN 1.081 nan 8.230 nan 0.000 0.579 504 S N -2.039 113.587 115.700 -0.124 0.000 4.078 504 S HA 0.745 5.214 4.470 -0.001 0.000 0.290 504 S C -0.141 174.394 174.600 -0.108 0.000 1.069 504 S CA -0.242 57.917 58.200 -0.069 0.000 1.246 504 S CB 2.494 65.712 63.200 0.031 0.000 1.659 504 S HN -0.031 nan 8.310 nan 0.000 0.624 505 S N -0.643 115.026 115.700 -0.052 0.000 2.873 505 S HA 0.621 5.091 4.470 -0.001 0.000 0.303 505 S C -1.503 173.092 174.600 -0.009 0.000 1.222 505 S CA -0.886 57.272 58.200 -0.070 0.000 0.923 505 S CB 1.196 64.365 63.200 -0.052 0.000 1.286 505 S HN 0.678 nan 8.310 nan 0.000 0.571 506 R N 1.104 121.598 120.500 -0.010 0.000 2.396 506 R HA 0.642 4.982 4.340 -0.001 0.000 0.292 506 R C -0.403 175.913 176.300 0.026 0.000 1.240 506 R CA 0.563 56.683 56.100 0.033 0.000 1.270 506 R CB 0.365 30.680 30.300 0.025 0.000 1.108 506 R HN 0.947 nan 8.270 nan 0.000 0.573 507 T N 0.000 114.571 114.554 0.028 0.000 3.816 507 T HA 0.000 4.350 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