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_E 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 0.000 174.658 174.700 -0.071 0.000 1.109 49 T CA 0.000 62.047 62.100 -0.088 0.000 1.349 49 T CB 0.000 68.838 68.868 -0.051 0.000 0.612 50 G N 1.231 110.004 108.800 -0.046 0.000 2.559 50 G HA2 0.313 4.272 3.960 -0.001 0.000 0.216 50 G HA3 0.313 4.272 3.960 -0.001 0.000 0.216 50 G C 1.062 175.929 174.900 -0.055 0.000 1.126 50 G CA 1.144 46.227 45.100 -0.029 0.000 0.778 50 G HN 0.673 nan 8.290 nan 0.000 0.543 51 G N 0.136 108.889 108.800 -0.079 0.000 2.961 51 G HA2 0.173 4.132 3.960 -0.001 0.000 0.150 51 G HA3 0.173 4.132 3.960 -0.001 0.000 0.150 51 G C 0.255 175.076 174.900 -0.131 0.000 1.864 51 G CA -0.503 44.539 45.100 -0.096 0.000 0.992 51 G HN 0.175 nan 8.290 nan 0.000 0.458 52 R N 1.782 122.201 120.500 -0.134 0.000 2.215 52 R HA 0.199 4.538 4.340 -0.001 0.000 0.337 52 R C -0.510 175.716 176.300 -0.123 0.000 1.010 52 R CA -0.253 55.765 56.100 -0.136 0.000 0.871 52 R CB 0.685 30.924 30.300 -0.103 0.000 1.134 52 R HN 0.650 nan 8.270 nan 0.000 0.477 53 N N -0.487 118.165 118.700 -0.080 0.000 2.351 53 N HA 0.031 4.770 4.740 -0.001 0.000 0.254 53 N C -0.499 175.199 175.510 0.313 0.000 1.241 53 N CA -0.420 52.676 53.050 0.078 0.000 0.883 53 N CB 0.787 39.301 38.487 0.045 0.000 1.202 53 N HN 0.007 nan 8.380 nan 0.000 0.512 54 S N 0.708 116.513 115.700 0.174 0.000 2.549 54 S HA 0.398 4.867 4.470 -0.001 0.000 0.279 54 S C 0.053 174.751 174.600 0.164 0.000 1.321 54 S CA -0.346 57.922 58.200 0.114 0.000 1.054 54 S CB 0.291 63.498 63.200 0.012 0.000 0.899 54 S HN 0.295 nan 8.310 nan 0.000 0.497 55 I N 4.130 124.760 120.570 0.099 0.000 2.495 55 I HA 0.369 4.539 4.170 -0.001 0.000 0.277 55 I C 0.141 176.268 176.117 0.016 0.000 1.045 55 I CA -0.277 61.000 61.300 -0.038 0.000 1.135 55 I CB 0.930 38.839 38.000 -0.152 0.000 1.241 55 I HN 0.302 nan 8.210 nan 0.000 0.469 56 R N 3.373 123.882 120.500 0.014 0.000 2.407 56 R HA 0.408 4.747 4.340 -0.001 0.000 0.303 56 R C -0.531 175.801 176.300 0.054 0.000 0.981 56 R CA -0.495 55.629 56.100 0.040 0.000 0.905 56 R CB 1.984 32.295 30.300 0.018 0.000 1.099 56 R HN 0.417 nan 8.270 nan 0.000 0.459 57 Y N 1.194 121.468 120.300 -0.043 0.000 3.052 57 Y HA 0.222 4.771 4.550 -0.001 0.000 0.468 57 Y C 1.220 177.087 175.900 -0.055 0.000 1.283 57 Y CA -0.024 58.038 58.100 -0.063 0.000 1.807 57 Y CB -0.322 38.098 38.460 -0.066 0.000 1.580 57 Y HN 0.546 nan 8.280 nan 0.000 0.782 58 S N -0.350 114.578 115.700 -1.287 0.000 2.646 58 S HA 0.085 4.554 4.470 -0.001 0.000 0.192 58 S C 0.605 174.971 174.600 -0.391 0.000 1.218 58 S CA 0.247 57.961 58.200 -0.810 0.000 1.545 58 S CB -0.501 62.088 63.200 -1.019 0.000 0.737 58 S HN 0.542 nan 8.310 nan 0.000 0.467 59 E N 0.672 120.711 120.200 -0.269 0.000 2.301 59 E HA 0.150 4.499 4.350 -0.001 0.000 0.195 59 E C 0.302 176.871 176.600 -0.051 0.000 1.171 59 E CA -0.251 56.086 56.400 -0.106 0.000 1.142 59 E CB -0.024 29.652 29.700 -0.040 0.000 1.218 59 E HN 0.298 nan 8.360 nan 0.000 0.448 60 L N 0.051 121.234 121.223 -0.066 0.000 2.543 60 L HA 0.428 4.767 4.340 -0.001 0.000 0.181 60 L C -0.160 176.750 176.870 0.067 0.000 1.437 60 L CA 0.118 55.002 54.840 0.074 0.000 3.059 60 L CB 0.294 42.516 42.059 0.271 0.000 2.916 60 L HN -0.015 nan 8.230 nan 0.000 1.037 61 A N -0.782 122.098 122.820 0.099 0.000 2.422 61 A HA 0.720 5.039 4.320 -0.001 0.000 0.302 61 A C -2.639 175.003 177.584 0.096 0.000 1.041 61 A CA -1.275 50.811 52.037 0.081 0.000 0.708 61 A CB 0.852 19.892 19.000 0.067 0.000 1.257 61 A HN 0.258 nan 8.150 nan 0.000 0.414 62 P HA 0.388 nan 4.420 nan 0.000 0.276 62 P C -1.054 176.360 177.300 0.190 0.000 1.264 62 P CA 0.373 63.578 63.100 0.175 0.000 0.769 62 P CB 0.359 32.205 31.700 0.243 0.000 0.840 63 L N 5.469 126.791 121.223 0.164 0.000 2.335 63 L HA 0.406 4.746 4.340 -0.001 0.000 0.268 63 L C 0.153 177.161 176.870 0.231 0.000 1.037 63 L CA -0.751 54.155 54.840 0.110 0.000 0.895 63 L CB -0.310 41.774 42.059 0.042 0.000 1.266 63 L HN 0.283 nan 8.230 nan 0.000 0.439 64 F N 0.186 120.160 119.950 0.039 0.000 2.410 64 F HA 0.676 5.203 4.527 -0.001 0.000 0.348 64 F C 0.028 175.875 175.800 0.080 0.000 1.106 64 F CA -0.911 57.132 58.000 0.072 0.000 1.163 64 F CB 0.549 39.593 39.000 0.074 0.000 1.129 64 F HN 0.359 nan 8.300 nan 0.000 0.516 65 D N 1.235 121.855 120.400 0.367 0.000 9.781 65 D HA -0.164 4.475 4.640 -0.001 0.000 0.283 65 D C -0.095 176.313 176.300 0.180 0.000 2.757 65 D CA 0.814 54.982 54.000 0.281 0.000 2.589 65 D CB -0.559 40.366 40.800 0.207 0.000 1.049 65 D HN 1.193 nan 8.370 nan 0.000 0.767 66 T N 0.522 115.191 114.554 0.191 0.000 0.604 66 T HA -0.043 4.306 4.350 -0.001 0.000 0.769 66 T C -0.061 174.630 174.700 -0.014 0.000 0.992 66 T CA 2.054 64.197 62.100 0.071 0.000 4.043 66 T CB -0.088 68.826 68.868 0.077 0.000 2.285 66 T HN 0.859 nan 8.240 nan 0.000 0.397 67 T N 4.641 119.143 114.554 -0.085 0.000 2.647 67 T HA 0.711 5.060 4.350 -0.001 0.000 0.295 67 T C -1.586 173.006 174.700 -0.180 0.000 1.126 67 T CA -1.057 60.976 62.100 -0.112 0.000 1.040 67 T CB 1.165 69.966 68.868 -0.111 0.000 1.472 67 T HN 0.720 nan 8.240 nan 0.000 0.500 68 R N 1.430 121.785 120.500 -0.241 0.000 2.445 68 R HA 0.648 4.987 4.340 -0.001 0.000 0.308 68 R C -0.505 175.462 176.300 -0.554 0.000 0.961 68 R CA -0.635 55.196 56.100 -0.448 0.000 0.862 68 R CB 1.156 31.089 30.300 -0.611 0.000 1.144 68 R HN 0.661 nan 8.270 nan 0.000 0.447 69 V N 0.065 119.657 119.914 -0.536 0.000 2.581 69 V HA 0.627 4.747 4.120 -0.001 0.000 0.303 69 V C -0.907 174.922 176.094 -0.442 0.000 1.041 69 V CA -1.031 61.033 62.300 -0.393 0.000 0.907 69 V CB 1.471 33.165 31.823 -0.214 0.000 0.994 69 V HN 0.592 nan 8.190 nan 0.000 0.442 70 Y N 3.191 123.463 120.300 -0.047 0.000 2.331 70 Y HA 0.644 5.194 4.550 -0.001 0.000 0.334 70 Y C -0.124 175.782 175.900 0.010 0.000 0.960 70 Y CA -0.747 57.343 58.100 -0.016 0.000 1.130 70 Y CB 2.016 40.472 38.460 -0.008 0.000 1.164 70 Y HN 0.540 nan 8.280 nan 0.000 0.458 71 L N 5.869 127.211 121.223 0.198 0.000 2.288 71 L HA 0.480 4.819 4.340 -0.001 0.000 0.283 71 L C -0.745 176.293 176.870 0.279 0.000 1.072 71 L CA -0.796 54.153 54.840 0.181 0.000 0.862 71 L CB 0.092 42.221 42.059 0.117 0.000 1.245 71 L HN 0.408 nan 8.230 nan 0.000 0.432 72 V N -1.309 118.774 119.914 0.282 0.000 2.555 72 V HA 0.402 4.521 4.120 -0.001 0.000 0.302 72 V C 0.262 176.544 176.094 0.314 0.000 1.038 72 V CA -0.800 61.653 62.300 0.256 0.000 0.887 72 V CB 1.669 33.566 31.823 0.124 0.000 0.991 72 V HN 0.599 nan 8.190 nan 0.000 0.434 73 D N 2.285 122.792 120.400 0.178 0.000 2.213 73 D HA -0.105 4.535 4.640 -0.001 0.000 0.205 73 D C 1.278 177.559 176.300 -0.033 0.000 0.961 73 D CA 1.089 55.016 54.000 -0.122 0.000 0.853 73 D CB -0.359 40.157 40.800 -0.473 0.000 0.967 73 D HN 0.648 nan 8.370 nan 0.000 0.496 74 N N -0.025 118.696 118.700 0.035 0.000 2.571 74 N HA -0.045 4.694 4.740 -0.001 0.000 0.189 74 N C 0.146 175.674 175.510 0.029 0.000 1.154 74 N CA 0.128 53.199 53.050 0.035 0.000 0.907 74 N CB 0.119 38.628 38.487 0.037 0.000 0.977 74 N HN -0.020 nan 8.380 nan 0.000 0.449 75 K N 1.328 121.752 120.400 0.041 0.000 2.402 75 K HA 0.000 4.320 4.320 -0.001 0.000 0.279 75 K C 0.666 177.286 176.600 0.034 0.000 1.082 75 K CA 0.102 56.411 56.287 0.038 0.000 1.080 75 K CB 0.561 33.094 32.500 0.054 0.000 0.899 75 K HN 0.202 nan 8.250 nan 0.000 0.469 76 S N 1.980 117.696 115.700 0.026 0.000 2.387 76 S HA -0.206 4.264 4.470 -0.001 0.000 0.230 76 S C 1.902 176.522 174.600 0.033 0.000 1.035 76 S CA 2.208 60.423 58.200 0.026 0.000 1.014 76 S CB -0.350 62.862 63.200 0.020 0.000 0.836 76 S HN 0.789 nan 8.310 nan 0.000 0.466 77 T N 2.039 116.615 114.554 0.036 0.000 2.737 77 T HA -0.145 4.204 4.350 -0.001 0.000 0.265 77 T C 1.583 176.311 174.700 0.048 0.000 1.038 77 T CA 1.437 63.561 62.100 0.041 0.000 1.144 77 T CB -0.752 68.143 68.868 0.043 0.000 0.866 77 T HN 0.628 nan 8.240 nan 0.000 0.434 78 D N 1.569 122.001 120.400 0.054 0.000 2.234 78 D HA -0.027 4.613 4.640 -0.001 0.000 0.205 78 D C 2.025 178.365 176.300 0.068 0.000 0.962 78 D CA 0.299 54.337 54.000 0.064 0.000 0.855 78 D CB -0.964 39.882 40.800 0.076 0.000 0.951 78 D HN 0.349 nan 8.370 nan 0.000 0.500 79 V N 0.807 120.754 119.914 0.055 0.000 2.380 79 V HA -0.260 3.859 4.120 -0.001 0.000 0.251 79 V C 2.637 178.784 176.094 0.088 0.000 1.063 79 V CA 1.991 64.318 62.300 0.045 0.000 1.055 79 V CB -0.878 30.959 31.823 0.023 0.000 0.657 79 V HN 0.467 nan 8.190 nan 0.000 0.455 80 A N -0.480 122.399 122.820 0.098 0.000 1.861 80 A HA -0.100 4.220 4.320 -0.001 0.000 0.212 80 A C 2.448 180.101 177.584 0.114 0.000 1.199 80 A CA 1.633 53.752 52.037 0.136 0.000 0.613 80 A CB -0.600 18.451 19.000 0.084 0.000 0.846 80 A HN 0.526 nan 8.150 nan 0.000 0.446 81 S N -0.266 115.475 115.700 0.068 0.000 2.368 81 S HA 0.121 4.591 4.470 -0.001 0.000 0.224 81 S C 0.613 175.247 174.600 0.057 0.000 1.029 81 S CA 1.247 59.472 58.200 0.041 0.000 0.988 81 S CB -0.630 62.593 63.200 0.038 0.000 0.838 81 S HN 0.526 nan 8.310 nan 0.000 0.462 82 L N -1.251 120.022 121.223 0.083 0.000 2.359 82 L HA 0.671 5.010 4.340 -0.001 0.000 0.256 82 L C -0.140 176.795 176.870 0.109 0.000 1.026 82 L CA -1.072 53.823 54.840 0.093 0.000 0.828 82 L CB 0.901 43.007 42.059 0.077 0.000 1.406 82 L HN -0.180 nan 8.230 nan 0.000 0.413 83 N N -1.081 117.683 118.700 0.107 0.000 2.965 83 N HA -0.311 4.428 4.740 -0.001 0.000 0.232 83 N C 0.655 176.194 175.510 0.049 0.000 0.913 83 N CA 1.662 54.756 53.050 0.073 0.000 0.981 83 N CB -1.537 36.973 38.487 0.039 0.000 1.077 83 N HN 0.963 nan 8.380 nan 0.000 0.589 84 Y N 1.740 122.033 120.300 -0.012 0.000 2.062 84 Y HA -0.274 4.276 4.550 -0.001 0.000 0.276 84 Y C 2.043 177.924 175.900 -0.030 0.000 1.189 84 Y CA 2.838 60.926 58.100 -0.020 0.000 1.130 84 Y CB -0.026 38.427 38.460 -0.010 0.000 0.959 84 Y HN 0.460 nan 8.280 nan 0.000 0.499 85 Q N 0.392 120.220 119.800 0.047 0.000 2.341 85 Q HA 0.287 4.627 4.340 -0.001 0.000 0.325 85 Q C -1.020 174.961 176.000 -0.031 0.000 0.920 85 Q CA -0.314 55.469 55.803 -0.033 0.000 1.065 85 Q CB -0.036 28.729 28.738 0.045 0.000 1.218 85 Q HN 0.338 nan 8.270 nan 0.000 0.434 86 N N 1.301 119.970 118.700 -0.052 0.000 2.405 86 N HA 0.211 4.950 4.740 -0.001 0.000 0.285 86 N C -1.158 174.289 175.510 -0.106 0.000 1.262 86 N CA -0.298 52.729 53.050 -0.038 0.000 0.773 86 N CB 2.023 40.528 38.487 0.029 0.000 1.490 86 N HN 0.285 nan 8.380 nan 0.000 0.486 87 D N -0.993 119.351 120.400 -0.093 0.000 2.509 87 D HA 0.194 4.834 4.640 -0.001 0.000 0.275 87 D C 0.386 176.542 176.300 -0.239 0.000 1.189 87 D CA 0.283 54.190 54.000 -0.155 0.000 1.098 87 D CB 0.291 41.032 40.800 -0.099 0.000 1.177 87 D HN 0.504 nan 8.370 nan 0.000 0.599 88 H N -2.286 116.731 119.070 -0.088 0.000 2.592 88 H HA 0.237 4.792 4.556 -0.001 0.000 0.265 88 H C 1.048 176.427 175.328 0.086 0.000 0.955 88 H CA 0.694 56.663 56.048 -0.131 0.000 1.175 88 H CB 0.598 30.305 29.762 -0.093 0.000 1.433 88 H HN 0.256 nan 8.280 nan 0.000 0.537 89 S N 0.329 116.138 115.700 0.182 0.000 2.614 89 S HA 0.071 4.540 4.470 -0.001 0.000 0.230 89 S C -0.017 174.677 174.600 0.156 0.000 0.952 89 S CA -0.341 57.948 58.200 0.148 0.000 0.949 89 S CB -0.203 63.032 63.200 0.057 0.000 0.786 89 S HN 0.361 nan 8.310 nan 0.000 0.478 90 N N 0.659 119.516 118.700 0.260 0.000 2.905 90 N HA 0.319 5.059 4.740 -0.001 0.000 0.255 90 N C -1.157 174.545 175.510 0.320 0.000 1.199 90 N CA -0.544 52.632 53.050 0.210 0.000 0.911 90 N CB 0.501 39.051 38.487 0.106 0.000 1.550 90 N HN 0.358 nan 8.380 nan 0.000 0.599 91 F N 0.783 120.745 119.950 0.020 0.000 2.779 91 F HA 0.689 5.216 4.527 -0.001 0.000 0.316 91 F C -1.834 173.980 175.800 0.022 0.000 1.164 91 F CA -1.208 56.794 58.000 0.004 0.000 0.924 91 F CB 1.339 40.323 39.000 -0.026 0.000 1.348 91 F HN 0.052 nan 8.300 nan 0.000 0.467 92 L N 1.613 122.955 121.223 0.198 0.000 2.346 92 L HA 0.710 5.049 4.340 -0.001 0.000 0.276 92 L C -0.778 176.187 176.870 0.158 0.000 1.006 92 L CA -0.723 54.153 54.840 0.061 0.000 0.817 92 L CB 2.181 44.280 42.059 0.066 0.000 1.272 92 L HN 0.762 nan 8.230 nan 0.000 0.421 93 T N -0.173 114.423 114.554 0.071 0.000 2.863 93 T HA 0.371 4.721 4.350 -0.001 0.000 0.285 93 T C -0.071 174.668 174.700 0.065 0.000 1.009 93 T CA -0.578 61.600 62.100 0.129 0.000 0.989 93 T CB 1.745 70.699 68.868 0.143 0.000 1.004 93 T HN 0.631 nan 8.240 nan 0.000 0.455 94 T N 0.796 115.392 114.554 0.070 0.000 2.738 94 T HA 0.285 4.634 4.350 -0.001 0.000 0.294 94 T C 1.057 175.775 174.700 0.030 0.000 0.914 94 T CA -0.661 61.464 62.100 0.041 0.000 1.052 94 T CB 0.246 69.140 68.868 0.043 0.000 0.897 94 T HN 0.304 nan 8.240 nan 0.000 0.522 95 V N 3.245 123.162 119.914 0.005 0.000 3.649 95 V HA 0.193 4.312 4.120 -0.001 0.000 0.275 95 V C 0.913 176.972 176.094 -0.059 0.000 1.281 95 V CA 0.208 62.503 62.300 -0.008 0.000 1.143 95 V CB -0.764 31.045 31.823 -0.023 0.000 0.892 95 V HN 0.859 nan 8.190 nan 0.000 0.441 96 I N 1.263 121.790 120.570 -0.072 0.000 2.278 96 I HA 0.152 4.321 4.170 -0.001 0.000 0.296 96 I C 0.547 176.600 176.117 -0.105 0.000 1.121 96 I CA -0.003 61.201 61.300 -0.159 0.000 1.267 96 I CB 0.820 38.735 38.000 -0.142 0.000 1.447 96 I HN 0.181 nan 8.210 nan 0.000 0.509 97 Q N 3.566 123.303 119.800 -0.106 0.000 2.404 97 Q HA 0.107 4.446 4.340 -0.001 0.000 0.272 97 Q C -0.019 175.947 176.000 -0.057 0.000 0.939 97 Q CA 0.076 55.849 55.803 -0.050 0.000 0.945 97 Q CB -0.485 28.242 28.738 -0.018 0.000 1.195 97 Q HN 0.398 nan 8.270 nan 0.000 0.415 98 N N 0.590 119.256 118.700 -0.057 0.000 2.422 98 N HA 0.033 4.772 4.740 -0.001 0.000 0.266 98 N C 0.446 176.045 175.510 0.148 0.000 1.007 98 N CA -0.097 52.977 53.050 0.040 0.000 0.941 98 N CB 1.036 39.550 38.487 0.044 0.000 1.115 98 N HN 0.183 nan 8.380 nan 0.000 0.492 99 N N 3.216 121.990 118.700 0.123 0.000 2.104 99 N HA -0.170 4.570 4.740 -0.001 0.000 0.190 99 N C 0.020 175.601 175.510 0.119 0.000 1.024 99 N CA 1.691 54.801 53.050 0.100 0.000 0.853 99 N CB 0.070 38.595 38.487 0.062 0.000 1.008 99 N HN 0.499 nan 8.380 nan 0.000 0.424 100 D N -1.418 119.080 120.400 0.162 0.000 2.338 100 D HA 0.038 4.677 4.640 -0.001 0.000 0.239 100 D C -0.694 175.491 176.300 -0.190 0.000 1.095 100 D CA 0.563 54.567 54.000 0.005 0.000 0.888 100 D CB -0.086 40.709 40.800 -0.008 0.000 0.899 100 D HN 0.399 nan 8.370 nan 0.000 0.525 101 Y N -0.414 119.911 120.300 0.042 0.000 2.485 101 Y HA 0.318 4.867 4.550 -0.001 0.000 0.345 101 Y C 0.425 176.345 175.900 0.034 0.000 0.998 101 Y CA -1.445 56.682 58.100 0.045 0.000 1.059 101 Y CB 1.682 40.183 38.460 0.070 0.000 1.234 101 Y HN -0.343 nan 8.280 nan 0.000 0.461 102 S N 4.670 120.464 115.700 0.156 0.000 2.498 102 S HA 0.084 4.553 4.470 -0.001 0.000 0.281 102 S C -1.534 173.135 174.600 0.116 0.000 1.265 102 S CA -1.192 57.068 58.200 0.099 0.000 1.071 102 S CB 0.450 63.688 63.200 0.064 0.000 0.894 102 S HN 0.484 nan 8.310 nan 0.000 0.491 103 P HA 0.023 nan 4.420 nan 0.000 0.228 103 P C 1.374 178.712 177.300 0.063 0.000 1.151 103 P CA 0.941 64.087 63.100 0.076 0.000 0.770 103 P CB -0.251 31.486 31.700 0.061 0.000 0.786 104 G N 0.711 109.545 108.800 0.057 0.000 2.425 104 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.213 104 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.213 104 G C 1.482 176.415 174.900 0.054 0.000 1.201 104 G CA 0.161 45.289 45.100 0.046 0.000 0.799 104 G HN 0.281 nan 8.290 nan 0.000 0.534 105 E N 1.026 121.269 120.200 0.071 0.000 2.515 105 E HA 0.095 4.445 4.350 -0.001 0.000 0.201 105 E C 2.402 179.069 176.600 0.111 0.000 1.071 105 E CA 0.537 56.989 56.400 0.088 0.000 0.880 105 E CB -0.073 29.689 29.700 0.104 0.000 0.828 105 E HN 0.340 nan 8.360 nan 0.000 0.540 106 A N 0.714 123.593 122.820 0.099 0.000 1.929 106 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 106 A C 2.280 179.887 177.584 0.038 0.000 1.176 106 A CA 1.410 53.490 52.037 0.071 0.000 0.628 106 A CB -0.619 18.419 19.000 0.065 0.000 0.816 106 A HN 0.409 nan 8.150 nan 0.000 0.444 107 S N 0.371 116.093 115.700 0.036 0.000 2.380 107 S HA -0.248 4.221 4.470 -0.001 0.000 0.229 107 S C 1.944 176.554 174.600 0.016 0.000 1.043 107 S CA 2.557 60.770 58.200 0.021 0.000 1.038 107 S CB -1.327 61.885 63.200 0.021 0.000 0.872 107 S HN 0.593 nan 8.310 nan 0.000 0.456 108 T N 1.867 116.435 114.554 0.024 0.000 2.653 108 T HA -0.162 4.187 4.350 -0.001 0.000 0.268 108 T C 0.942 175.644 174.700 0.003 0.000 1.035 108 T CA 1.552 63.663 62.100 0.017 0.000 1.154 108 T CB -0.614 68.271 68.868 0.029 0.000 0.862 108 T HN 0.679 nan 8.240 nan 0.000 0.441 109 Q N 1.720 121.521 119.800 0.002 0.000 2.394 109 Q HA 0.409 4.749 4.340 -0.001 0.000 0.248 109 Q C 0.119 176.125 176.000 0.009 0.000 0.992 109 Q CA -0.174 55.620 55.803 -0.014 0.000 0.888 109 Q CB 0.597 29.323 28.738 -0.020 0.000 1.257 109 Q HN 0.473 nan 8.270 nan 0.000 0.462 110 T N -1.900 112.654 114.554 0.001 0.000 2.856 110 T HA 0.409 4.758 4.350 -0.001 0.000 0.283 110 T C 0.753 175.478 174.700 0.043 0.000 1.008 110 T CA -0.858 61.244 62.100 0.003 0.000 0.997 110 T CB 0.888 69.743 68.868 -0.022 0.000 0.992 110 T HN 0.414 nan 8.240 nan 0.000 0.454 111 I N 0.881 121.458 120.570 0.013 0.000 2.286 111 I HA -0.039 4.131 4.170 -0.001 0.000 0.245 111 I C 0.290 176.388 176.117 -0.032 0.000 1.104 111 I CA 0.827 62.130 61.300 0.005 0.000 1.397 111 I CB -1.037 36.925 38.000 -0.064 0.000 1.072 111 I HN 0.799 nan 8.210 nan 0.000 0.417 112 N N 1.797 120.460 118.700 -0.061 0.000 2.537 112 N HA -0.170 4.570 4.740 -0.001 0.000 0.286 112 N C -0.569 174.860 175.510 -0.136 0.000 1.245 112 N CA 0.455 53.462 53.050 -0.071 0.000 0.704 112 N CB -1.400 37.064 38.487 -0.038 0.000 0.910 112 N HN 0.215 nan 8.380 nan 0.000 0.542 113 L N 0.551 121.629 121.223 -0.241 0.000 2.417 113 L HA 0.176 4.516 4.340 -0.001 0.000 0.268 113 L C 1.232 178.105 176.870 0.004 0.000 1.158 113 L CA -0.364 54.191 54.840 -0.476 0.000 0.819 113 L CB 0.427 41.902 42.059 -0.973 0.000 1.112 113 L HN 0.321 nan 8.230 nan 0.000 0.458 114 D N 1.714 122.356 120.400 0.403 0.000 2.493 114 D HA -0.061 4.579 4.640 -0.001 0.000 0.240 114 D C -0.391 176.126 176.300 0.362 0.000 1.142 114 D CA -0.026 54.219 54.000 0.409 0.000 0.872 114 D CB 0.930 41.937 40.800 0.345 0.000 1.173 114 D HN 0.412 nan 8.370 nan 0.000 0.467 115 D N 3.312 123.785 120.400 0.122 0.000 2.881 115 D HA 0.109 4.749 4.640 -0.001 0.000 0.240 115 D C 1.009 177.283 176.300 -0.044 0.000 1.249 115 D CA -0.119 53.895 54.000 0.023 0.000 0.839 115 D CB 0.266 41.074 40.800 0.013 0.000 1.042 115 D HN 0.270 nan 8.370 nan 0.000 0.475 116 R N -0.162 120.292 120.500 -0.077 0.000 2.412 116 R HA 0.178 4.517 4.340 -0.001 0.000 0.212 116 R C -0.262 175.922 176.300 -0.194 0.000 0.878 116 R CA 0.195 56.228 56.100 -0.112 0.000 1.022 116 R CB 0.691 30.940 30.300 -0.084 0.000 1.265 116 R HN 0.180 nan 8.270 nan 0.000 0.620 117 S N -0.343 115.165 115.700 -0.320 0.000 2.548 117 S HA 0.421 4.890 4.470 -0.001 0.000 0.286 117 S C -0.951 173.257 174.600 -0.653 0.000 1.098 117 S CA -0.950 56.985 58.200 -0.442 0.000 0.930 117 S CB 1.753 64.639 63.200 -0.523 0.000 1.070 117 S HN 0.086 nan 8.310 nan 0.000 0.480 118 H N 0.503 119.406 119.070 -0.278 0.000 2.767 118 H HA 0.166 4.721 4.556 -0.001 0.000 0.316 118 H C -0.932 174.257 175.328 -0.232 0.000 1.059 118 H CA 0.305 56.251 56.048 -0.170 0.000 1.461 118 H CB 0.405 30.121 29.762 -0.076 0.000 1.475 118 H HN 0.606 nan 8.280 nan 0.000 0.531 119 W N 1.522 122.804 121.300 -0.030 0.000 2.359 119 W HA 0.457 5.116 4.660 -0.001 0.000 0.344 119 W C 0.721 177.251 176.519 0.018 0.000 1.170 119 W CA -0.313 57.023 57.345 -0.014 0.000 1.296 119 W CB 1.316 30.752 29.460 -0.041 0.000 1.197 119 W HN 0.620 nan 8.180 nan 0.000 0.618 120 G N -0.350 108.629 108.800 0.299 0.000 2.714 120 G HA2 0.701 4.660 3.960 -0.001 0.000 0.292 120 G HA3 0.701 4.660 3.960 -0.001 0.000 0.292 120 G C -1.372 173.609 174.900 0.134 0.000 1.308 120 G CA -0.926 44.273 45.100 0.165 0.000 0.964 120 G HN 0.689 nan 8.290 nan 0.000 0.484 121 G N -0.376 108.457 108.800 0.055 0.000 2.719 121 G HA2 0.460 4.419 3.960 -0.001 0.000 0.298 121 G HA3 0.460 4.419 3.960 -0.001 0.000 0.298 121 G C -1.703 173.189 174.900 -0.013 0.000 1.433 121 G CA -0.501 44.603 45.100 0.007 0.000 1.034 121 G HN 0.469 nan 8.290 nan 0.000 0.517 122 D N 0.859 121.247 120.400 -0.019 0.000 2.343 122 D HA 0.325 4.964 4.640 -0.001 0.000 0.255 122 D C -0.251 176.016 176.300 -0.054 0.000 1.187 122 D CA -0.068 53.916 54.000 -0.027 0.000 0.875 122 D CB 1.340 42.127 40.800 -0.021 0.000 1.136 122 D HN 0.226 nan 8.370 nan 0.000 0.469 123 L N 3.891 125.081 121.223 -0.055 0.000 2.287 123 L HA 0.462 4.801 4.340 -0.001 0.000 0.287 123 L C -0.848 175.977 176.870 -0.075 0.000 1.022 123 L CA -0.282 54.500 54.840 -0.096 0.000 0.814 123 L CB 0.930 42.902 42.059 -0.146 0.000 1.217 123 L HN 0.251 nan 8.230 nan 0.000 0.420 124 K N 2.913 123.254 120.400 -0.098 0.000 2.259 124 K HA 0.762 5.081 4.320 -0.001 0.000 0.252 124 K C -0.863 175.647 176.600 -0.150 0.000 0.936 124 K CA -0.720 55.525 56.287 -0.069 0.000 0.810 124 K CB 2.101 34.581 32.500 -0.033 0.000 1.143 124 K HN 0.720 nan 8.250 nan 0.000 0.427 125 T N -0.824 113.642 114.554 -0.146 0.000 2.893 125 T HA 0.602 4.951 4.350 -0.001 0.000 0.293 125 T C -0.430 174.278 174.700 0.013 0.000 1.027 125 T CA -0.885 61.069 62.100 -0.243 0.000 0.988 125 T CB 0.494 68.825 68.868 -0.896 0.000 1.043 125 T HN 0.442 nan 8.240 nan 0.000 0.461 126 I N 3.353 123.989 120.570 0.109 0.000 2.405 126 I HA 0.498 4.667 4.170 -0.001 0.000 0.280 126 I C -0.787 175.493 176.117 0.273 0.000 1.027 126 I CA -0.927 60.468 61.300 0.159 0.000 1.161 126 I CB 1.271 39.331 38.000 0.100 0.000 1.300 126 I HN 0.489 nan 8.210 nan 0.000 0.463 127 L N 6.478 127.890 121.223 0.315 0.000 2.329 127 L HA 0.575 4.915 4.340 -0.001 0.000 0.279 127 L C -0.893 176.142 176.870 0.274 0.000 1.014 127 L CA -0.010 55.041 54.840 0.353 0.000 0.814 127 L CB 1.355 43.681 42.059 0.445 0.000 1.257 127 L HN 0.604 nan 8.230 nan 0.000 0.424 128 H N 2.429 121.562 119.070 0.105 0.000 2.954 128 H HA 0.548 5.103 4.556 -0.001 0.000 0.361 128 H C -1.470 173.893 175.328 0.058 0.000 1.122 128 H CA -0.460 55.622 56.048 0.056 0.000 1.217 128 H CB 1.691 31.459 29.762 0.010 0.000 1.776 128 H HN 0.762 nan 8.280 nan 0.000 0.533 129 T N 1.186 115.730 114.554 -0.017 0.000 2.930 129 T HA 0.316 4.665 4.350 -0.001 0.000 0.290 129 T C 0.137 174.721 174.700 -0.193 0.000 1.052 129 T CA -1.087 60.985 62.100 -0.047 0.000 1.017 129 T CB 1.709 70.619 68.868 0.070 0.000 1.137 129 T HN 0.731 nan 8.240 nan 0.000 0.511 130 N N -0.170 118.539 118.700 0.015 0.000 2.433 130 N HA 0.247 4.986 4.740 -0.001 0.000 0.270 130 N C -0.338 175.230 175.510 0.096 0.000 1.354 130 N CA -0.280 52.793 53.050 0.038 0.000 0.889 130 N CB 0.477 39.012 38.487 0.080 0.000 1.285 130 N HN 0.535 nan 8.380 nan 0.000 0.503 131 M N 2.616 122.190 119.600 -0.043 0.000 2.219 131 M HA 0.232 4.711 4.480 -0.001 0.000 0.353 131 M C -2.174 174.014 176.300 -0.188 0.000 1.304 131 M CA -1.213 53.838 55.300 -0.415 0.000 1.115 131 M CB 0.789 33.053 32.600 -0.560 0.000 1.664 131 M HN 0.029 nan 8.290 nan 0.000 0.459 132 P HA 0.114 nan 4.420 nan 0.000 0.307 132 P C -0.267 177.079 177.300 0.078 0.000 1.306 132 P CA -0.321 62.796 63.100 0.027 0.000 0.742 132 P CB 0.572 32.213 31.700 -0.098 0.000 1.349 133 N N -0.845 118.011 118.700 0.260 0.000 2.191 133 N HA -0.020 4.719 4.740 -0.001 0.000 0.193 133 N C -0.015 175.527 175.510 0.054 0.000 1.053 133 N CA 0.546 53.680 53.050 0.140 0.000 0.943 133 N CB -0.773 37.843 38.487 0.214 0.000 1.119 133 N HN -0.002 nan 8.380 nan 0.000 0.487 134 V N 2.080 122.038 119.914 0.073 0.000 2.540 134 V HA 0.038 4.158 4.120 -0.001 0.000 0.297 134 V C 0.192 176.329 176.094 0.072 0.000 1.024 134 V CA 0.367 62.705 62.300 0.064 0.000 1.105 134 V CB 0.103 31.968 31.823 0.070 0.000 0.938 134 V HN 0.549 nan 8.190 nan 0.000 0.482 135 N N 3.002 121.761 118.700 0.098 0.000 2.710 135 N HA 0.236 4.976 4.740 -0.001 0.000 0.257 135 N C 0.418 176.050 175.510 0.204 0.000 1.327 135 N CA -0.627 52.508 53.050 0.142 0.000 0.861 135 N CB 1.711 40.254 38.487 0.093 0.000 1.532 135 N HN 0.506 nan 8.380 nan 0.000 0.499 136 E N 0.765 121.120 120.200 0.258 0.000 2.008 136 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 136 E C 1.223 178.071 176.600 0.412 0.000 0.986 136 E CA 0.845 57.419 56.400 0.290 0.000 0.807 136 E CB -0.134 29.707 29.700 0.235 0.000 0.766 136 E HN 0.617 nan 8.360 nan 0.000 0.450 137 F N 0.344 120.440 119.950 0.244 0.000 2.216 137 F HA -0.204 4.322 4.527 -0.001 0.000 0.300 137 F C 2.007 177.830 175.800 0.038 0.000 1.085 137 F CA 0.588 58.689 58.000 0.167 0.000 1.326 137 F CB 0.215 39.322 39.000 0.177 0.000 1.027 137 F HN 0.081 nan 8.300 nan 0.000 0.497 138 M N -0.067 119.495 119.600 -0.064 0.000 2.618 138 M HA 0.031 4.511 4.480 -0.001 0.000 0.240 138 M C -0.190 176.097 176.300 -0.022 0.000 1.123 138 M CA 0.139 55.291 55.300 -0.248 0.000 1.060 138 M CB -1.193 31.312 32.600 -0.158 0.000 1.535 138 M HN 0.153 nan 8.290 nan 0.000 0.507 139 F N 0.017 119.953 119.950 -0.023 0.000 3.039 139 F HA -0.251 4.276 4.527 -0.001 0.000 0.287 139 F C 0.714 176.546 175.800 0.052 0.000 0.956 139 F CA 0.916 58.937 58.000 0.036 0.000 0.971 139 F CB -2.999 36.023 39.000 0.038 0.000 0.943 139 F HN 0.114 nan 8.300 nan 0.000 0.766 140 T N -2.797 111.888 114.554 0.217 0.000 3.091 140 T HA 0.102 4.452 4.350 -0.001 0.000 0.277 140 T C 1.220 176.003 174.700 0.140 0.000 0.996 140 T CA 0.436 62.615 62.100 0.131 0.000 0.897 140 T CB 0.102 69.004 68.868 0.058 0.000 1.109 140 T HN 0.520 nan 8.240 nan 0.000 0.534 141 N N 0.643 119.448 118.700 0.175 0.000 2.282 141 N HA 0.115 4.855 4.740 -0.001 0.000 0.185 141 N C 0.178 175.817 175.510 0.214 0.000 1.099 141 N CA -0.132 53.022 53.050 0.173 0.000 0.878 141 N CB 0.346 38.924 38.487 0.152 0.000 0.993 141 N HN 0.088 nan 8.380 nan 0.000 0.481 142 K N 0.086 120.622 120.400 0.226 0.000 2.375 142 K HA 0.435 4.755 4.320 -0.001 0.000 0.249 142 K C -1.561 175.286 176.600 0.411 0.000 0.942 142 K CA -0.950 55.481 56.287 0.240 0.000 0.806 142 K CB 1.959 34.509 32.500 0.082 0.000 1.227 142 K HN 0.198 nan 8.250 nan 0.000 0.430 143 F N -1.191 118.873 119.950 0.190 0.000 2.654 143 F HA 0.534 5.061 4.527 -0.001 0.000 0.308 143 F C -1.373 174.560 175.800 0.222 0.000 1.108 143 F CA -1.260 56.879 58.000 0.230 0.000 0.957 143 F CB 1.300 40.502 39.000 0.337 0.000 1.309 143 F HN 0.166 nan 8.300 nan 0.000 0.446 144 K N 2.245 122.778 120.400 0.222 0.000 2.123 144 K HA 0.917 5.236 4.320 -0.001 0.000 0.259 144 K C -0.995 175.779 176.600 0.289 0.000 0.960 144 K CA -1.065 55.281 56.287 0.098 0.000 0.872 144 K CB 2.029 34.504 32.500 -0.040 0.000 1.079 144 K HN 0.964 nan 8.250 nan 0.000 0.440 145 A N 1.657 124.739 122.820 0.437 0.000 2.612 145 A HA 0.458 4.777 4.320 -0.001 0.000 0.293 145 A C -1.492 176.379 177.584 0.479 0.000 1.075 145 A CA -0.838 51.486 52.037 0.478 0.000 0.680 145 A CB 1.520 20.708 19.000 0.313 0.000 1.279 145 A HN 0.744 nan 8.150 nan 0.000 0.411 146 R N 1.043 121.601 120.500 0.096 0.000 2.265 146 R HA 0.639 4.978 4.340 -0.001 0.000 0.319 146 R C -1.282 174.990 176.300 -0.047 0.000 1.006 146 R CA -0.124 55.871 56.100 -0.176 0.000 0.880 146 R CB 0.783 30.572 30.300 -0.851 0.000 1.077 146 R HN 0.563 nan 8.270 nan 0.000 0.454 147 V N 5.058 125.020 119.914 0.080 0.000 3.074 147 V HA 0.403 4.522 4.120 -0.001 0.000 0.314 147 V C 0.138 176.341 176.094 0.181 0.000 1.117 147 V CA -1.225 61.158 62.300 0.139 0.000 1.014 147 V CB 2.036 33.980 31.823 0.202 0.000 1.057 147 V HN 0.859 nan 8.190 nan 0.000 0.438 148 M N 1.237 120.894 119.600 0.097 0.000 2.249 148 M HA 0.588 5.068 4.480 -0.001 0.000 0.351 148 M C -0.460 175.827 176.300 -0.022 0.000 1.180 148 M CA 0.180 55.368 55.300 -0.187 0.000 1.127 148 M CB 1.533 33.807 32.600 -0.544 0.000 1.546 148 M HN 0.292 nan 8.290 nan 0.000 0.461 149 V N 1.409 121.280 119.914 -0.072 0.000 2.806 149 V HA 0.134 4.253 4.120 -0.001 0.000 0.239 149 V C 0.759 176.812 176.094 -0.070 0.000 1.113 149 V CA 0.748 63.043 62.300 -0.009 0.000 1.137 149 V CB 1.153 32.996 31.823 0.033 0.000 0.865 149 V HN 0.962 nan 8.190 nan 0.000 0.482 150 S N 0.393 116.023 115.700 -0.117 0.000 2.442 150 S HA 0.557 5.026 4.470 -0.001 0.000 0.297 150 S C -0.234 174.290 174.600 -0.127 0.000 1.131 150 S CA -0.365 57.772 58.200 -0.104 0.000 1.092 150 S CB 1.177 64.328 63.200 -0.082 0.000 0.998 150 S HN 0.375 nan 8.310 nan 0.000 0.478 151 R N 3.003 123.452 120.500 -0.085 0.000 2.278 151 R HA 0.351 4.690 4.340 -0.001 0.000 0.322 151 R C -0.201 176.069 176.300 -0.051 0.000 1.058 151 R CA 0.028 56.086 56.100 -0.070 0.000 0.991 151 R CB 0.084 30.359 30.300 -0.041 0.000 1.140 151 R HN 0.633 nan 8.270 nan 0.000 0.518 152 S N 4.254 119.923 115.700 -0.051 0.000 3.371 152 S HA -0.156 4.313 4.470 -0.001 0.000 0.353 152 S C 0.727 175.312 174.600 -0.025 0.000 0.849 152 S CA 0.340 58.521 58.200 -0.032 0.000 1.356 152 S CB -0.706 62.481 63.200 -0.022 0.000 1.217 152 S HN 0.760 nan 8.310 nan 0.000 0.559 153 L N 3.342 124.550 121.223 -0.025 0.000 2.549 153 L HA -0.026 4.314 4.340 -0.001 0.000 0.230 153 L C 1.565 178.427 176.870 -0.013 0.000 1.162 153 L CA 0.981 55.809 54.840 -0.019 0.000 0.834 153 L CB -0.760 41.287 42.059 -0.019 0.000 0.947 153 L HN 0.938 nan 8.230 nan 0.000 0.452 154 T N -0.836 113.711 114.554 -0.012 0.000 4.056 154 T HA -0.147 4.203 4.350 -0.001 0.000 0.356 154 T C 0.101 174.798 174.700 -0.005 0.000 0.757 154 T CA 0.163 62.258 62.100 -0.007 0.000 1.949 154 T CB -1.523 67.341 68.868 -0.007 0.000 1.834 154 T HN 0.173 nan 8.240 nan 0.000 0.846 155 K N 2.209 122.606 120.400 -0.005 0.000 2.361 155 K HA 0.117 4.436 4.320 -0.001 0.000 0.283 155 K C 0.698 177.297 176.600 -0.001 0.000 1.078 155 K CA 0.269 56.554 56.287 -0.003 0.000 1.041 155 K CB 0.124 32.623 32.500 -0.002 0.000 0.932 155 K HN 0.456 nan 8.250 nan 0.000 0.462 156 D N 2.892 123.291 120.400 -0.001 0.000 2.705 156 D HA -0.173 4.467 4.640 -0.001 0.000 0.240 156 D C -0.886 175.414 176.300 0.000 0.000 1.137 156 D CA 0.739 54.739 54.000 -0.000 0.000 0.677 156 D CB -0.608 40.192 40.800 0.001 0.000 1.049 156 D HN 0.637 nan 8.370 nan 0.000 0.427 157 K N -0.066 120.333 120.400 -0.001 0.000 5.230 157 K HA -0.253 4.066 4.320 -0.001 0.000 0.331 157 K C 0.095 176.695 176.600 0.000 0.000 0.863 157 K CA 0.841 57.127 56.287 -0.001 0.000 1.030 157 K CB -0.505 31.995 32.500 -0.001 0.000 1.845 157 K HN 0.509 nan 8.250 nan 0.000 0.404 158 Q N 0.220 120.020 119.800 0.000 0.000 2.599 158 Q HA 0.096 4.435 4.340 -0.001 0.000 0.248 158 Q C -0.785 175.216 176.000 0.001 0.000 0.964 158 Q CA -0.578 55.227 55.803 0.002 0.000 1.011 158 Q CB 2.194 30.935 28.738 0.004 0.000 1.592 158 Q HN 0.319 nan 8.270 nan 0.000 0.443 159 V N 0.434 120.349 119.914 0.002 0.000 2.377 159 V HA 0.237 4.357 4.120 -0.001 0.000 0.254 159 V C 0.239 176.335 176.094 0.002 0.000 1.060 159 V CA 0.174 62.474 62.300 0.000 0.000 1.068 159 V CB 0.208 32.032 31.823 0.002 0.000 1.113 159 V HN 0.627 nan 8.190 nan 0.000 0.484 160 E N 5.602 125.800 120.200 -0.004 0.000 2.103 160 E HA 0.379 4.728 4.350 -0.001 0.000 0.254 160 E C -0.527 176.057 176.600 -0.026 0.000 0.940 160 E CA -0.571 55.827 56.400 -0.004 0.000 0.771 160 E CB 1.320 31.020 29.700 -0.001 0.000 1.153 160 E HN 0.920 nan 8.360 nan 0.000 0.428 161 L N 1.550 122.752 121.223 -0.035 0.000 2.275 161 L HA 0.591 4.930 4.340 -0.001 0.000 0.288 161 L C -0.328 176.432 176.870 -0.184 0.000 1.046 161 L CA -0.791 53.978 54.840 -0.117 0.000 0.805 161 L CB 1.081 43.062 42.059 -0.129 0.000 1.193 161 L HN 0.047 nan 8.230 nan 0.000 0.426 162 K N 3.078 123.331 120.400 -0.245 0.000 2.090 162 K HA 0.543 4.862 4.320 -0.001 0.000 0.249 162 K C -1.424 174.870 176.600 -0.509 0.000 0.995 162 K CA -0.558 55.601 56.287 -0.213 0.000 0.914 162 K CB 1.503 33.953 32.500 -0.084 0.000 1.057 162 K HN 0.517 nan 8.250 nan 0.000 0.462 163 Y N -0.116 120.174 120.300 -0.016 0.000 2.576 163 Y HA 0.361 4.910 4.550 -0.001 0.000 0.346 163 Y C -0.083 175.814 175.900 -0.004 0.000 1.018 163 Y CA -0.770 57.308 58.100 -0.036 0.000 1.050 163 Y CB 2.343 40.742 38.460 -0.102 0.000 1.280 163 Y HN 0.398 nan 8.280 nan 0.000 0.474 164 E N 0.711 121.004 120.200 0.155 0.000 2.375 164 E HA 0.143 4.492 4.350 -0.001 0.000 0.280 164 E C -2.043 174.678 176.600 0.201 0.000 0.972 164 E CA -0.783 55.715 56.400 0.164 0.000 0.782 164 E CB 1.742 31.517 29.700 0.124 0.000 1.229 164 E HN 0.622 nan 8.360 nan 0.000 0.439 165 W N 2.348 123.649 121.300 0.001 0.000 2.316 165 W HA 0.400 5.059 4.660 -0.001 0.000 0.311 165 W C 0.119 176.563 176.519 -0.125 0.000 1.217 165 W CA -0.287 57.035 57.345 -0.037 0.000 1.199 165 W CB 0.928 30.368 29.460 -0.033 0.000 1.202 165 W HN 0.125 nan 8.180 nan 0.000 0.528 166 V N 0.102 120.033 119.914 0.029 0.000 3.078 166 V HA 0.432 4.552 4.120 -0.001 0.000 0.311 166 V C -0.809 174.887 176.094 -0.664 0.000 1.138 166 V CA -1.592 60.476 62.300 -0.387 0.000 1.007 166 V CB 1.937 33.385 31.823 -0.626 0.000 1.045 166 V HN 0.512 nan 8.190 nan 0.000 0.432 167 E N 1.521 121.333 120.200 -0.646 0.000 2.035 167 E HA 0.488 4.837 4.350 -0.001 0.000 0.271 167 E C -1.451 174.765 176.600 -0.640 0.000 0.953 167 E CA -0.470 55.619 56.400 -0.518 0.000 0.777 167 E CB 0.710 30.255 29.700 -0.259 0.000 1.104 167 E HN 0.575 nan 8.360 nan 0.000 0.408 168 F N 1.404 121.120 119.950 -0.391 0.000 2.382 168 F HA 0.260 4.786 4.527 -0.001 0.000 0.331 168 F C 1.032 176.734 175.800 -0.162 0.000 1.121 168 F CA -0.139 57.654 58.000 -0.346 0.000 1.183 168 F CB 1.290 39.885 39.000 -0.676 0.000 1.207 168 F HN 0.126 nan 8.300 nan 0.000 0.555 169 T N 3.229 117.858 114.554 0.125 0.000 2.876 169 T HA 0.692 5.042 4.350 -0.001 0.000 0.289 169 T C -0.579 174.237 174.700 0.193 0.000 1.014 169 T CA -0.630 61.550 62.100 0.134 0.000 0.986 169 T CB 1.200 70.110 68.868 0.071 0.000 1.021 169 T HN 0.322 nan 8.240 nan 0.000 0.458 170 L N 3.580 124.917 121.223 0.189 0.000 2.303 170 L HA 0.578 4.917 4.340 -0.001 0.000 0.266 170 L C -1.823 175.126 176.870 0.132 0.000 1.011 170 L CA -2.278 52.670 54.840 0.180 0.000 0.818 170 L CB 1.965 44.140 42.059 0.193 0.000 1.326 170 L HN 0.424 nan 8.230 nan 0.000 0.435 171 P HA 0.187 nan 4.420 nan 0.000 0.208 171 P C -0.021 177.322 177.300 0.072 0.000 1.837 171 P CA -0.202 62.953 63.100 0.091 0.000 0.953 171 P CB 0.651 32.405 31.700 0.090 0.000 1.870 172 E N 0.664 120.912 120.200 0.080 0.000 3.995 172 E HA -0.355 3.994 4.350 -0.001 0.000 0.245 172 E C 1.770 178.382 176.600 0.020 0.000 1.300 172 E CA 2.472 58.914 56.400 0.070 0.000 2.077 172 E CB -2.007 27.744 29.700 0.084 0.000 1.830 172 E HN 0.454 nan 8.360 nan 0.000 0.271 173 G N 3.303 112.088 108.800 -0.024 0.000 2.556 173 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.220 173 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.220 173 G C 0.713 175.438 174.900 -0.292 0.000 1.156 173 G CA 1.372 46.383 45.100 -0.148 0.000 0.766 173 G HN 0.556 nan 8.290 nan 0.000 0.583 174 N N -0.061 118.580 118.700 -0.098 0.000 2.374 174 N HA 0.088 4.827 4.740 -0.001 0.000 0.241 174 N C -0.617 175.045 175.510 0.254 0.000 1.262 174 N CA 0.598 53.670 53.050 0.038 0.000 0.880 174 N CB 0.059 38.591 38.487 0.075 0.000 1.105 174 N HN 0.684 nan 8.380 nan 0.000 0.438 175 Y N -2.382 117.905 120.300 -0.021 0.000 2.681 175 Y HA 0.303 4.852 4.550 -0.001 0.000 0.280 175 Y C -0.750 175.126 175.900 -0.040 0.000 1.079 175 Y CA -1.152 56.928 58.100 -0.033 0.000 1.292 175 Y CB -0.170 38.275 38.460 -0.025 0.000 1.126 175 Y HN 0.565 nan 8.280 nan 0.000 0.553 176 S N 1.087 116.788 115.700 0.001 0.000 2.568 176 S HA 0.255 4.724 4.470 -0.001 0.000 0.293 176 S C 0.827 175.375 174.600 -0.087 0.000 1.089 176 S CA -0.279 57.879 58.200 -0.069 0.000 0.945 176 S CB 1.606 64.767 63.200 -0.065 0.000 1.077 176 S HN 0.757 nan 8.310 nan 0.000 0.485 177 E N 1.601 121.745 120.200 -0.094 0.000 2.208 177 E HA -0.052 4.297 4.350 -0.001 0.000 0.193 177 E C 1.046 177.574 176.600 -0.120 0.000 0.988 177 E CA 1.446 57.784 56.400 -0.105 0.000 0.828 177 E CB -0.429 29.218 29.700 -0.089 0.000 0.763 177 E HN 0.580 nan 8.360 nan 0.000 0.478 178 T N 1.479 115.962 114.554 -0.119 0.000 2.781 178 T HA -0.066 4.284 4.350 -0.001 0.000 0.252 178 T C 1.836 176.441 174.700 -0.159 0.000 1.039 178 T CA 1.186 63.205 62.100 -0.135 0.000 1.147 178 T CB -0.239 68.550 68.868 -0.132 0.000 0.865 178 T HN 0.215 nan 8.240 nan 0.000 0.423 179 M N 1.380 120.875 119.600 -0.174 0.000 2.374 179 M HA -0.065 4.414 4.480 -0.001 0.000 0.264 179 M C 1.707 177.880 176.300 -0.211 0.000 1.067 179 M CA 1.212 56.359 55.300 -0.254 0.000 1.103 179 M CB -0.478 31.980 32.600 -0.236 0.000 1.402 179 M HN 0.090 nan 8.290 nan 0.000 0.444 180 T N 1.370 115.838 114.554 -0.143 0.000 2.915 180 T HA -0.034 4.316 4.350 -0.001 0.000 0.269 180 T C 1.730 176.328 174.700 -0.171 0.000 1.071 180 T CA 0.985 63.011 62.100 -0.122 0.000 1.132 180 T CB -0.131 68.673 68.868 -0.106 0.000 0.878 180 T HN 0.318 nan 8.240 nan 0.000 0.479 181 I N 2.121 122.580 120.570 -0.186 0.000 2.133 181 I HA -0.101 4.068 4.170 -0.001 0.000 0.238 181 I C 2.047 178.115 176.117 -0.082 0.000 1.074 181 I CA 1.485 62.673 61.300 -0.186 0.000 1.342 181 I CB -1.369 36.555 38.000 -0.127 0.000 1.053 181 I HN 0.188 nan 8.210 nan 0.000 0.404 182 D N 0.852 121.191 120.400 -0.103 0.000 2.190 182 D HA -0.182 4.458 4.640 -0.001 0.000 0.200 182 D C 2.246 178.600 176.300 0.090 0.000 0.992 182 D CA 0.739 54.697 54.000 -0.069 0.000 0.854 182 D CB -0.134 40.438 40.800 -0.380 0.000 0.936 182 D HN 0.102 nan 8.370 nan 0.000 0.462 183 L N -0.131 121.103 121.223 0.018 0.000 2.056 183 L HA -0.027 4.312 4.340 -0.001 0.000 0.207 183 L C 2.152 179.162 176.870 0.235 0.000 1.078 183 L CA 1.372 56.327 54.840 0.191 0.000 0.749 183 L CB -0.793 41.332 42.059 0.109 0.000 0.901 183 L HN 0.188 nan 8.230 nan 0.000 0.433 184 M N -0.859 118.833 119.600 0.153 0.000 2.067 184 M HA -0.221 4.258 4.480 -0.001 0.000 0.260 184 M C 1.974 178.509 176.300 0.392 0.000 1.069 184 M CA 1.512 56.979 55.300 0.278 0.000 1.117 184 M CB -0.585 31.898 32.600 -0.195 0.000 1.334 184 M HN 0.213 nan 8.290 nan 0.000 0.407 185 N N 0.836 119.742 118.700 0.343 0.000 2.094 185 N HA -0.199 4.541 4.740 -0.001 0.000 0.191 185 N C 1.414 177.072 175.510 0.247 0.000 1.023 185 N CA 1.805 55.039 53.050 0.307 0.000 0.857 185 N CB -0.598 38.047 38.487 0.264 0.000 1.013 185 N HN 0.440 nan 8.380 nan 0.000 0.426 186 N N 0.639 119.509 118.700 0.284 0.000 2.069 186 N HA -0.128 4.612 4.740 -0.001 0.000 0.191 186 N C 1.312 176.949 175.510 0.212 0.000 1.031 186 N CA 1.936 55.129 53.050 0.238 0.000 0.852 186 N CB -0.273 38.393 38.487 0.298 0.000 1.018 186 N HN 0.156 nan 8.380 nan 0.000 0.423 187 A N -0.890 122.080 122.820 0.251 0.000 2.238 187 A HA 0.198 4.517 4.320 -0.001 0.000 0.208 187 A C 1.940 179.642 177.584 0.196 0.000 1.177 187 A CA 0.078 52.274 52.037 0.264 0.000 0.804 187 A CB -0.451 18.736 19.000 0.311 0.000 0.823 187 A HN 0.415 nan 8.150 nan 0.000 0.482 188 I N -1.219 119.386 120.570 0.058 0.000 2.500 188 I HA -0.104 4.066 4.170 -0.001 0.000 0.252 188 I C 2.131 178.357 176.117 0.182 0.000 1.142 188 I CA 0.976 62.216 61.300 -0.101 0.000 1.451 188 I CB 0.296 38.220 38.000 -0.127 0.000 1.093 188 I HN 0.154 nan 8.210 nan 0.000 0.430 189 V N -0.606 119.431 119.914 0.205 0.000 2.500 189 V HA -0.129 3.991 4.120 -0.001 0.000 0.243 189 V C 2.200 178.456 176.094 0.269 0.000 1.039 189 V CA 1.178 63.621 62.300 0.238 0.000 1.053 189 V CB -0.347 31.570 31.823 0.156 0.000 0.695 189 V HN 0.337 nan 8.190 nan 0.000 0.463 190 E N -0.558 119.775 120.200 0.221 0.000 2.331 190 E HA -0.291 4.058 4.350 -0.001 0.000 0.199 190 E C 1.983 178.710 176.600 0.211 0.000 1.008 190 E CA 1.316 57.828 56.400 0.186 0.000 0.843 190 E CB -0.026 29.771 29.700 0.160 0.000 0.761 190 E HN 0.798 nan 8.360 nan 0.000 0.507 191 H N -1.111 118.104 119.070 0.242 0.000 2.317 191 H HA -0.150 4.406 4.556 -0.001 0.000 0.304 191 H C 1.845 177.302 175.328 0.216 0.000 1.067 191 H CA 1.863 58.060 56.048 0.249 0.000 1.352 191 H CB -0.444 29.581 29.762 0.437 0.000 1.398 191 H HN 0.234 nan 8.280 nan 0.000 0.510 192 Y N 1.096 121.419 120.300 0.037 0.000 2.139 192 Y HA -0.256 4.293 4.550 -0.001 0.000 0.282 192 Y C 2.009 177.881 175.900 -0.047 0.000 1.179 192 Y CA 2.037 60.132 58.100 -0.008 0.000 1.161 192 Y CB -0.425 38.102 38.460 0.112 0.000 0.970 192 Y HN 0.264 nan 8.280 nan 0.000 0.511 193 L N 0.039 121.304 121.223 0.069 0.000 2.362 193 L HA -0.174 4.165 4.340 -0.001 0.000 0.219 193 L C 2.356 179.162 176.870 -0.108 0.000 1.134 193 L CA 1.147 55.970 54.840 -0.029 0.000 0.807 193 L CB -0.485 41.621 42.059 0.078 0.000 0.927 193 L HN 0.218 nan 8.230 nan 0.000 0.447 194 K N -0.570 119.746 120.400 -0.141 0.000 2.276 194 K HA 0.074 4.393 4.320 -0.001 0.000 0.198 194 K C 1.546 178.024 176.600 -0.203 0.000 1.052 194 K CA 0.795 56.997 56.287 -0.143 0.000 0.984 194 K CB 0.898 33.333 32.500 -0.109 0.000 0.836 194 K HN 0.207 nan 8.250 nan 0.000 0.490 195 V N -2.434 117.289 119.914 -0.319 0.000 3.193 195 V HA 0.122 4.241 4.120 -0.001 0.000 0.237 195 V C 1.981 177.910 176.094 -0.275 0.000 1.447 195 V CA 0.650 62.785 62.300 -0.275 0.000 1.227 195 V CB -0.002 31.691 31.823 -0.217 0.000 1.040 195 V HN 0.168 nan 8.190 nan 0.000 0.458 196 G N 2.605 111.193 108.800 -0.354 0.000 2.511 196 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.216 196 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.216 196 G C 1.555 176.190 174.900 -0.441 0.000 1.218 196 G CA 1.539 46.453 45.100 -0.309 0.000 0.788 196 G HN 0.642 nan 8.290 nan 0.000 0.560 197 R N -0.118 119.868 120.500 -0.856 0.000 2.120 197 R HA -0.005 4.334 4.340 -0.001 0.000 0.234 197 R C 2.283 178.422 176.300 -0.269 0.000 1.123 197 R CA 1.461 57.220 56.100 -0.568 0.000 0.975 197 R CB -0.462 29.477 30.300 -0.603 0.000 0.866 197 R HN 0.282 nan 8.270 nan 0.000 0.446 198 Q N 0.852 120.499 119.800 -0.255 0.000 2.224 198 Q HA -0.012 4.328 4.340 -0.001 0.000 0.203 198 Q C 0.559 176.490 176.000 -0.116 0.000 0.970 198 Q CA 0.897 56.607 55.803 -0.154 0.000 0.865 198 Q CB -0.178 28.476 28.738 -0.140 0.000 0.922 198 Q HN 0.511 nan 8.270 nan 0.000 0.445 199 N N -0.585 118.039 118.700 -0.125 0.000 2.389 199 N HA 0.185 4.924 4.740 -0.001 0.000 0.260 199 N C 0.314 175.778 175.510 -0.078 0.000 1.191 199 N CA 0.627 53.624 53.050 -0.088 0.000 0.885 199 N CB 1.456 39.898 38.487 -0.075 0.000 1.162 199 N HN 0.387 nan 8.380 nan 0.000 0.512 200 G N -0.294 108.458 108.800 -0.080 0.000 2.213 200 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.226 200 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.226 200 G C 0.119 175.004 174.900 -0.026 0.000 0.992 200 G CA -0.311 44.759 45.100 -0.049 0.000 0.632 200 G HN 0.187 nan 8.290 nan 0.000 0.511 201 V N 2.633 122.528 119.914 -0.031 0.000 2.521 201 V HA 0.449 4.568 4.120 -0.001 0.000 0.286 201 V C 1.263 177.490 176.094 0.221 0.000 1.034 201 V CA -0.099 62.243 62.300 0.070 0.000 1.045 201 V CB 1.133 33.020 31.823 0.106 0.000 0.974 201 V HN 0.373 nan 8.190 nan 0.000 0.480 202 L N 4.180 125.503 121.223 0.167 0.000 2.464 202 L HA 0.225 4.564 4.340 -0.001 0.000 0.264 202 L C 1.609 178.549 176.870 0.117 0.000 1.199 202 L CA 0.196 55.126 54.840 0.149 0.000 0.818 202 L CB 0.268 42.354 42.059 0.044 0.000 1.102 202 L HN 0.642 nan 8.230 nan 0.000 0.473 203 E N 0.250 120.457 120.200 0.011 0.000 2.204 203 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 203 E C 1.747 178.119 176.600 -0.380 0.000 0.989 203 E CA 1.326 57.548 56.400 -0.297 0.000 0.824 203 E CB 0.087 29.683 29.700 -0.173 0.000 0.756 203 E HN 0.770 nan 8.360 nan 0.000 0.477 204 S N 0.554 116.136 115.700 -0.197 0.000 2.607 204 S HA -0.038 4.432 4.470 -0.001 0.000 0.224 204 S C 0.489 175.009 174.600 -0.134 0.000 0.969 204 S CA 0.331 58.427 58.200 -0.174 0.000 0.927 204 S CB 0.170 63.305 63.200 -0.108 0.000 0.772 204 S HN 0.001 nan 8.310 nan 0.000 0.533 205 D N 1.036 121.374 120.400 -0.103 0.000 2.892 205 D HA 0.334 4.974 4.640 -0.001 0.000 0.291 205 D C 0.813 177.091 176.300 -0.035 0.000 1.341 205 D CA -0.372 53.605 54.000 -0.039 0.000 0.844 205 D CB 0.335 41.133 40.800 -0.002 0.000 1.093 205 D HN 0.229 nan 8.370 nan 0.000 0.480 206 I N 0.498 121.012 120.570 -0.093 0.000 2.133 206 I HA -0.028 4.142 4.170 -0.001 0.000 0.238 206 I C 1.989 178.067 176.117 -0.065 0.000 1.074 206 I CA 1.717 62.929 61.300 -0.147 0.000 1.342 206 I CB -0.817 37.025 38.000 -0.263 0.000 1.053 206 I HN 0.356 nan 8.210 nan 0.000 0.404 207 G N 0.254 109.008 108.800 -0.076 0.000 3.110 207 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.238 207 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.238 207 G C 0.054 174.808 174.900 -0.244 0.000 1.647 207 G CA -0.010 45.019 45.100 -0.117 0.000 1.146 207 G HN 0.373 nan 8.290 nan 0.000 0.545 208 V N 0.090 119.856 119.914 -0.247 0.000 2.470 208 V HA 0.708 4.827 4.120 -0.001 0.000 0.276 208 V C 0.213 176.030 176.094 -0.461 0.000 1.040 208 V CA 0.000 62.070 62.300 -0.383 0.000 1.008 208 V CB 1.283 32.893 31.823 -0.356 0.000 0.990 208 V HN 0.768 nan 8.190 nan 0.000 0.477 209 K N 4.748 124.808 120.400 -0.566 0.000 2.535 209 K HA 0.488 4.807 4.320 -0.001 0.000 0.250 209 K C -1.799 174.519 176.600 -0.469 0.000 0.948 209 K CA -0.577 55.437 56.287 -0.455 0.000 0.796 209 K CB 2.008 34.318 32.500 -0.317 0.000 1.216 209 K HN 0.618 nan 8.250 nan 0.000 0.432 210 F N 2.814 122.734 119.950 -0.051 0.000 2.313 210 F HA 0.297 4.824 4.527 -0.001 0.000 0.369 210 F C 0.967 176.754 175.800 -0.022 0.000 1.109 210 F CA -0.664 57.312 58.000 -0.040 0.000 1.132 210 F CB 0.861 39.826 39.000 -0.058 0.000 1.291 210 F HN 0.262 nan 8.300 nan 0.000 0.496 211 D N 0.544 121.024 120.400 0.133 0.000 2.549 211 D HA 0.342 4.982 4.640 -0.001 0.000 0.270 211 D C 0.887 177.253 176.300 0.110 0.000 1.181 211 D CA 0.025 54.103 54.000 0.129 0.000 1.070 211 D CB 2.022 42.939 40.800 0.194 0.000 1.154 211 D HN 0.515 nan 8.370 nan 0.000 0.602 212 T N -3.333 111.259 114.554 0.064 0.000 3.041 212 T HA 0.182 4.532 4.350 -0.001 0.000 0.276 212 T C 0.671 175.328 174.700 -0.073 0.000 0.948 212 T CA -0.422 61.657 62.100 -0.035 0.000 0.885 212 T CB 0.462 69.261 68.868 -0.115 0.000 1.175 212 T HN 0.427 nan 8.240 nan 0.000 0.529 213 R N 1.026 121.517 120.500 -0.015 0.000 2.643 213 R HA 0.646 4.985 4.340 -0.001 0.000 0.272 213 R C -0.647 175.574 176.300 -0.132 0.000 0.995 213 R CA -0.869 55.198 56.100 -0.056 0.000 1.032 213 R CB 0.299 30.504 30.300 -0.158 0.000 1.126 213 R HN -0.039 nan 8.270 nan 0.000 0.505 214 N N 1.367 120.045 118.700 -0.036 0.000 2.420 214 N HA 0.033 4.772 4.740 -0.001 0.000 0.262 214 N C -0.502 174.866 175.510 -0.237 0.000 1.144 214 N CA -0.258 52.780 53.050 -0.019 0.000 0.952 214 N CB 0.229 38.579 38.487 -0.229 0.000 1.081 214 N HN 0.619 nan 8.380 nan 0.000 0.480 215 F N 2.061 122.047 119.950 0.060 0.000 2.179 215 F HA 0.190 4.716 4.527 -0.001 0.000 0.292 215 F C 1.949 177.768 175.800 0.033 0.000 1.089 215 F CA 0.651 58.617 58.000 -0.057 0.000 1.295 215 F CB 0.091 38.960 39.000 -0.219 0.000 1.041 215 F HN 0.446 nan 8.300 nan 0.000 0.487 216 R N 0.370 120.909 120.500 0.065 0.000 2.366 216 R HA -0.020 4.319 4.340 -0.001 0.000 0.201 216 R C -0.431 175.820 176.300 -0.080 0.000 1.057 216 R CA -0.069 55.955 56.100 -0.128 0.000 1.086 216 R CB -0.563 29.418 30.300 -0.532 0.000 0.914 216 R HN 0.047 nan 8.270 nan 0.000 0.476 217 L N -0.217 120.999 121.223 -0.013 0.000 2.265 217 L HA 0.307 4.647 4.340 -0.001 0.000 0.288 217 L C 1.012 177.920 176.870 0.063 0.000 1.058 217 L CA 0.803 55.630 54.840 -0.022 0.000 0.809 217 L CB 1.309 43.297 42.059 -0.120 0.000 1.179 217 L HN 0.332 nan 8.230 nan 0.000 0.429 218 G N 4.054 112.896 108.800 0.069 0.000 2.259 218 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.217 218 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.217 218 G C 0.333 175.294 174.900 0.102 0.000 1.001 218 G CA 0.027 45.170 45.100 0.072 0.000 0.627 218 G HN 0.599 nan 8.290 nan 0.000 0.501 219 F N 3.062 122.999 119.950 -0.021 0.000 2.629 219 F HA 0.465 4.991 4.527 -0.001 0.000 0.377 219 F C 0.164 175.939 175.800 -0.042 0.000 1.101 219 F CA 0.260 58.246 58.000 -0.023 0.000 1.301 219 F CB 0.630 39.605 39.000 -0.041 0.000 1.062 219 F HN 0.079 nan 8.300 nan 0.000 0.583 220 D N 8.061 128.050 120.400 -0.686 0.000 2.278 220 D HA 0.256 4.895 4.640 -0.001 0.000 0.245 220 D C -1.858 173.796 176.300 -1.077 0.000 1.052 220 D CA -1.847 51.773 54.000 -0.633 0.000 0.834 220 D CB 2.293 42.871 40.800 -0.370 0.000 1.194 220 D HN 0.256 nan 8.370 nan 0.000 0.481 221 P HA -0.077 nan 4.420 nan 0.000 0.223 221 P C 1.370 178.533 177.300 -0.228 0.000 1.151 221 P CA 0.656 63.546 63.100 -0.350 0.000 0.787 221 P CB 0.307 31.981 31.700 -0.043 0.000 0.788 222 V N -4.460 115.317 119.914 -0.229 0.000 3.125 222 V HA 0.037 4.157 4.120 -0.001 0.000 0.249 222 V C 1.919 177.918 176.094 -0.158 0.000 1.113 222 V CA 1.332 63.545 62.300 -0.143 0.000 1.106 222 V CB -1.797 29.964 31.823 -0.103 0.000 0.768 222 V HN -0.023 nan 8.190 nan 0.000 0.468 223 T N 0.804 115.218 114.554 -0.232 0.000 2.942 223 T HA 0.228 4.577 4.350 -0.001 0.000 0.265 223 T C 1.725 176.323 174.700 -0.170 0.000 1.062 223 T CA 1.387 63.365 62.100 -0.203 0.000 1.139 223 T CB -0.433 68.295 68.868 -0.234 0.000 0.883 223 T HN 1.227 nan 8.240 nan 0.000 0.468 224 G N 1.180 109.837 108.800 -0.239 0.000 2.155 224 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.257 224 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.257 224 G C -0.053 174.930 174.900 0.139 0.000 0.983 224 G CA 0.217 45.315 45.100 -0.004 0.000 0.676 224 G HN 0.523 nan 8.290 nan 0.000 0.528 225 L N -0.898 120.287 121.223 -0.063 0.000 2.415 225 L HA 0.564 4.903 4.340 -0.001 0.000 0.256 225 L C 0.326 177.207 176.870 0.017 0.000 1.010 225 L CA -1.442 53.434 54.840 0.061 0.000 0.826 225 L CB 2.185 44.229 42.059 -0.026 0.000 1.405 225 L HN -0.125 nan 8.230 nan 0.000 0.410 226 V N 2.518 122.489 119.914 0.096 0.000 2.439 226 V HA 0.017 4.136 4.120 -0.001 0.000 0.271 226 V C 1.160 177.213 176.094 -0.068 0.000 1.040 226 V CA -0.194 62.135 62.300 0.048 0.000 1.002 226 V CB 1.118 32.960 31.823 0.033 0.000 1.000 226 V HN 0.700 nan 8.190 nan 0.000 0.477 227 M N 6.451 126.002 119.600 -0.083 0.000 2.175 227 M HA 0.024 4.503 4.480 -0.001 0.000 0.264 227 M C -0.240 175.995 176.300 -0.108 0.000 1.063 227 M CA 1.251 56.474 55.300 -0.128 0.000 1.119 227 M CB -1.605 30.913 32.600 -0.136 0.000 1.377 227 M HN 0.486 nan 8.290 nan 0.000 0.415 228 P HA 0.318 nan 4.420 nan 0.000 0.254 228 P C 0.692 177.955 177.300 -0.061 0.000 1.620 228 P CA 0.519 63.588 63.100 -0.052 0.000 1.050 228 P CB -0.139 31.550 31.700 -0.019 0.000 1.539 229 G N -0.311 108.427 108.800 -0.104 0.000 2.205 229 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.269 229 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.269 229 G C 0.042 174.858 174.900 -0.140 0.000 0.977 229 G CA 0.359 45.383 45.100 -0.127 0.000 0.652 229 G HN 0.415 nan 8.290 nan 0.000 0.539 230 V N 0.066 119.907 119.914 -0.122 0.000 2.623 230 V HA 0.487 4.606 4.120 -0.001 0.000 0.304 230 V C -0.121 175.952 176.094 -0.036 0.000 1.054 230 V CA -1.570 60.694 62.300 -0.059 0.000 0.882 230 V CB 1.473 33.310 31.823 0.023 0.000 1.002 230 V HN 0.248 nan 8.190 nan 0.000 0.424 231 Y N 1.529 121.875 120.300 0.076 0.000 2.544 231 Y HA 0.135 4.685 4.550 -0.001 0.000 0.330 231 Y C 1.552 177.412 175.900 -0.066 0.000 1.136 231 Y CA -0.209 57.880 58.100 -0.020 0.000 1.417 231 Y CB 0.278 38.684 38.460 -0.090 0.000 1.229 231 Y HN 0.631 nan 8.280 nan 0.000 0.532 232 T N 3.194 117.804 114.554 0.093 0.000 2.758 232 T HA -0.132 4.217 4.350 -0.001 0.000 0.249 232 T C 0.594 175.328 174.700 0.056 0.000 1.011 232 T CA -0.050 62.087 62.100 0.062 0.000 1.301 232 T CB -0.712 68.190 68.868 0.055 0.000 0.992 232 T HN 0.464 nan 8.240 nan 0.000 0.549 233 N N 3.294 122.029 118.700 0.058 0.000 3.117 233 N HA 0.054 4.794 4.740 -0.001 0.000 0.323 233 N C -0.238 175.292 175.510 0.033 0.000 1.245 233 N CA 0.010 53.085 53.050 0.041 0.000 1.191 233 N CB 0.014 38.532 38.487 0.052 0.000 1.451 233 N HN 0.590 nan 8.380 nan 0.000 0.555 234 E N -0.092 120.153 120.200 0.076 0.000 2.218 234 E HA 0.569 4.918 4.350 -0.001 0.000 0.263 234 E C -0.985 175.591 176.600 -0.040 0.000 0.879 234 E CA -0.848 55.571 56.400 0.031 0.000 0.762 234 E CB 1.173 30.963 29.700 0.150 0.000 1.166 234 E HN 0.320 nan 8.360 nan 0.000 0.415 235 A N 3.923 126.593 122.820 -0.250 0.000 2.511 235 A HA 0.261 4.581 4.320 -0.001 0.000 0.242 235 A C -0.463 176.674 177.584 -0.745 0.000 1.069 235 A CA 0.252 52.069 52.037 -0.368 0.000 0.763 235 A CB -0.078 18.680 19.000 -0.403 0.000 1.001 235 A HN 0.688 nan 8.150 nan 0.000 0.498 236 F N 2.489 122.275 119.950 -0.274 0.000 2.881 236 F HA 0.267 4.793 4.527 -0.001 0.000 0.343 236 F C 1.173 176.837 175.800 -0.226 0.000 1.233 236 F CA 0.259 58.145 58.000 -0.191 0.000 1.262 236 F CB -0.233 38.663 39.000 -0.173 0.000 0.980 236 F HN 0.920 nan 8.300 nan 0.000 0.506 237 H N -1.784 117.176 119.070 -0.182 0.000 1.562 237 H HA -0.193 4.362 4.556 -0.001 0.000 0.090 237 H C -1.982 173.306 175.328 -0.068 0.000 0.613 237 H CA 1.256 57.238 56.048 -0.110 0.000 1.889 237 H CB -2.375 27.342 29.762 -0.074 0.000 2.240 237 H HN 0.012 nan 8.280 nan 0.000 0.959 238 P HA 0.148 nan 4.420 nan 0.000 0.274 238 P C -0.943 176.429 177.300 0.121 0.000 1.291 238 P CA 0.150 63.336 63.100 0.144 0.000 0.815 238 P CB -0.053 31.869 31.700 0.369 0.000 0.897 239 D N 3.638 124.062 120.400 0.041 0.000 2.586 239 D HA -0.057 4.582 4.640 -0.001 0.000 0.234 239 D C 0.817 177.231 176.300 0.191 0.000 1.132 239 D CA 0.450 54.482 54.000 0.052 0.000 0.860 239 D CB 0.010 40.811 40.800 0.001 0.000 1.159 239 D HN 0.287 nan 8.370 nan 0.000 0.490 240 I N 1.478 122.186 120.570 0.230 0.000 3.004 240 I HA 0.142 4.311 4.170 -0.001 0.000 0.287 240 I C 0.622 176.887 176.117 0.247 0.000 1.144 240 I CA -0.565 60.947 61.300 0.352 0.000 1.353 240 I CB 0.345 38.507 38.000 0.270 0.000 1.417 240 I HN 0.240 nan 8.210 nan 0.000 0.602 241 I N 4.221 124.931 120.570 0.233 0.000 2.362 241 I HA 0.395 4.564 4.170 -0.001 0.000 0.289 241 I C -0.709 175.371 176.117 -0.062 0.000 0.994 241 I CA -0.528 60.790 61.300 0.030 0.000 1.158 241 I CB 1.255 39.268 38.000 0.022 0.000 1.315 241 I HN 0.319 nan 8.210 nan 0.000 0.451 242 L N 7.554 128.636 121.223 -0.235 0.000 2.295 242 L HA 0.670 5.010 4.340 -0.001 0.000 0.285 242 L C -0.704 175.950 176.870 -0.359 0.000 1.035 242 L CA -0.596 54.048 54.840 -0.327 0.000 0.806 242 L CB 1.484 43.247 42.059 -0.494 0.000 1.214 242 L HN 0.492 nan 8.230 nan 0.000 0.426 243 L N 3.838 124.900 121.223 -0.269 0.000 2.513 243 L HA 0.681 5.020 4.340 -0.001 0.000 0.261 243 L C -2.906 173.844 176.870 -0.201 0.000 0.945 243 L CA -1.484 53.208 54.840 -0.247 0.000 0.848 243 L CB 2.501 44.430 42.059 -0.217 0.000 1.334 243 L HN 0.286 nan 8.230 nan 0.000 0.407 244 P HA 0.315 nan 4.420 nan 0.000 0.308 244 P C 0.504 177.219 177.300 -0.975 0.000 1.497 244 P CA -0.172 62.488 63.100 -0.733 0.000 1.101 244 P CB 2.159 33.791 31.700 -0.114 0.000 1.095 245 G N 2.585 110.283 108.800 -1.836 0.000 2.302 245 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.263 245 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.263 245 G C 0.438 174.775 174.900 -0.940 0.000 0.995 245 G CA 0.764 45.224 45.100 -1.068 0.000 0.622 245 G HN 0.786 nan 8.290 nan 0.000 0.538 246 C N -1.952 116.920 119.300 -0.715 0.000 3.462 246 C HA 1.112 5.571 4.460 -0.001 0.000 0.298 246 C C 1.038 175.754 174.990 -0.458 0.000 3.205 246 C CA -0.001 58.677 59.018 -0.566 0.000 1.845 246 C CB 1.268 28.799 27.740 -0.348 0.000 3.397 246 C HN 2.146 nan 8.230 nan 0.000 0.473 247 G N -1.116 107.426 108.800 -0.430 0.000 2.322 247 G HA2 0.601 4.560 3.960 -0.001 0.000 0.295 247 G HA3 0.601 4.560 3.960 -0.001 0.000 0.295 247 G C -1.201 173.561 174.900 -0.230 0.000 1.369 247 G CA 0.177 45.073 45.100 -0.341 0.000 0.821 247 G HN 1.904 nan 8.290 nan 0.000 0.536 248 V N -2.388 117.439 119.914 -0.145 0.000 3.234 248 V HA 0.941 5.060 4.120 -0.001 0.000 0.317 248 V C -0.806 175.240 176.094 -0.080 0.000 1.147 248 V CA -0.700 61.545 62.300 -0.091 0.000 1.037 248 V CB 2.168 33.843 31.823 -0.247 0.000 1.148 248 V HN 0.992 nan 8.190 nan 0.000 0.455 249 D N -0.252 119.963 120.400 -0.308 0.000 2.548 249 D HA 0.293 4.932 4.640 -0.001 0.000 0.214 249 D C -1.497 174.549 176.300 -0.422 0.000 1.345 249 D CA -0.256 53.581 54.000 -0.271 0.000 0.945 249 D CB 1.569 42.336 40.800 -0.056 0.000 1.499 249 D HN 0.496 nan 8.370 nan 0.000 0.579 250 F N 2.418 122.458 119.950 0.150 0.000 2.850 250 F HA 0.151 4.677 4.527 -0.001 0.000 0.306 250 F C 2.217 178.145 175.800 0.214 0.000 1.162 250 F CA -0.347 57.794 58.000 0.235 0.000 1.327 250 F CB 1.069 40.268 39.000 0.332 0.000 0.953 250 F HN 0.292 nan 8.300 nan 0.000 0.507 251 T N -0.833 113.828 114.554 0.178 0.000 2.929 251 T HA -0.149 4.200 4.350 -0.001 0.000 0.271 251 T C 0.816 175.387 174.700 -0.216 0.000 1.085 251 T CA 1.483 63.583 62.100 -0.001 0.000 1.125 251 T CB -0.258 68.552 68.868 -0.097 0.000 0.874 251 T HN 0.291 nan 8.240 nan 0.000 0.494 252 H N 0.075 119.233 119.070 0.146 0.000 2.716 252 H HA 0.523 5.078 4.556 -0.001 0.000 0.230 252 H C -0.797 174.629 175.328 0.163 0.000 1.401 252 H CA -0.268 55.851 56.048 0.118 0.000 1.168 252 H CB 0.353 30.101 29.762 -0.023 0.000 1.935 252 H HN 0.105 nan 8.280 nan 0.000 0.538 253 S N -0.080 115.826 115.700 0.343 0.000 2.556 253 S HA 0.415 4.884 4.470 -0.001 0.000 0.271 253 S C 0.616 175.351 174.600 0.225 0.000 1.135 253 S CA -0.620 57.778 58.200 0.329 0.000 0.858 253 S CB 1.703 65.161 63.200 0.430 0.000 1.114 253 S HN 0.481 nan 8.310 nan 0.000 0.468 254 R N 2.075 122.654 120.500 0.132 0.000 2.362 254 R HA 0.345 4.685 4.340 -0.001 0.000 0.227 254 R C 1.308 177.542 176.300 -0.109 0.000 0.905 254 R CA 0.118 56.218 56.100 0.001 0.000 1.067 254 R CB -0.075 30.217 30.300 -0.013 0.000 1.078 254 R HN 0.569 nan 8.270 nan 0.000 0.516 255 L N 0.269 121.419 121.223 -0.122 0.000 2.265 255 L HA -0.163 4.177 4.340 -0.001 0.000 0.215 255 L C 2.409 178.909 176.870 -0.616 0.000 1.117 255 L CA 1.184 55.842 54.840 -0.303 0.000 0.782 255 L CB -0.353 41.558 42.059 -0.247 0.000 0.914 255 L HN 0.216 nan 8.230 nan 0.000 0.441 256 S N -0.025 115.212 115.700 -0.772 0.000 2.419 256 S HA -0.220 4.249 4.470 -0.001 0.000 0.235 256 S C 1.709 176.050 174.600 -0.432 0.000 1.019 256 S CA 1.587 59.294 58.200 -0.822 0.000 0.982 256 S CB -0.354 62.681 63.200 -0.276 0.000 0.789 256 S HN 0.529 nan 8.310 nan 0.000 0.490 257 N N 0.756 119.262 118.700 -0.323 0.000 2.216 257 N HA -0.014 4.726 4.740 -0.001 0.000 0.183 257 N C 1.804 177.182 175.510 -0.219 0.000 1.017 257 N CA 0.987 53.895 53.050 -0.237 0.000 0.861 257 N CB -0.241 38.133 38.487 -0.188 0.000 0.986 257 N HN 0.327 nan 8.380 nan 0.000 0.428 258 L N 1.974 123.048 121.223 -0.250 0.000 2.046 258 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 258 L C 1.930 178.661 176.870 -0.230 0.000 1.077 258 L CA 1.412 56.117 54.840 -0.223 0.000 0.747 258 L CB -0.810 41.104 42.059 -0.242 0.000 0.896 258 L HN 0.217 nan 8.230 nan 0.000 0.432 259 L N -0.167 120.870 121.223 -0.309 0.000 2.201 259 L HA -0.008 4.331 4.340 -0.001 0.000 0.212 259 L C 1.463 178.228 176.870 -0.175 0.000 1.105 259 L CA 0.854 55.533 54.840 -0.268 0.000 0.775 259 L CB -0.893 40.943 42.059 -0.372 0.000 0.913 259 L HN 0.570 nan 8.230 nan 0.000 0.440 260 G N 1.358 110.054 108.800 -0.173 0.000 2.212 260 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.255 260 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.255 260 G C -0.072 174.786 174.900 -0.070 0.000 1.062 260 G CA -0.107 44.940 45.100 -0.088 0.000 0.815 260 G HN 0.320 nan 8.290 nan 0.000 0.497 261 I N -0.289 120.163 120.570 -0.198 0.000 2.436 261 I HA 0.661 4.831 4.170 -0.001 0.000 0.289 261 I C 0.222 176.276 176.117 -0.106 0.000 1.010 261 I CA -0.992 60.166 61.300 -0.236 0.000 1.098 261 I CB 2.089 39.751 38.000 -0.565 0.000 1.266 261 I HN 0.196 nan 8.210 nan 0.000 0.434 262 R N 5.549 126.008 120.500 -0.068 0.000 2.604 262 R HA 0.374 4.714 4.340 -0.001 0.000 0.281 262 R C -1.159 175.051 176.300 -0.150 0.000 1.020 262 R CA -0.843 55.110 56.100 -0.245 0.000 0.899 262 R CB 2.478 32.659 30.300 -0.198 0.000 1.205 262 R HN 0.615 nan 8.270 nan 0.000 0.450 263 K N 2.807 122.991 120.400 -0.360 0.000 2.484 263 K HA -0.043 4.277 4.320 -0.001 0.000 0.280 263 K C 1.082 177.635 176.600 -0.079 0.000 1.013 263 K CA 0.320 56.525 56.287 -0.137 0.000 1.029 263 K CB 0.710 33.077 32.500 -0.221 0.000 0.902 263 K HN 0.501 nan 8.250 nan 0.000 0.481 264 R N 1.968 122.477 120.500 0.014 0.000 2.189 264 R HA -0.143 4.197 4.340 -0.001 0.000 0.223 264 R C 0.278 176.565 176.300 -0.023 0.000 1.092 264 R CA 1.328 57.441 56.100 0.022 0.000 0.989 264 R CB 0.234 30.585 30.300 0.086 0.000 0.876 264 R HN 0.574 nan 8.270 nan 0.000 0.457 265 Q N -0.432 119.333 119.800 -0.058 0.000 2.700 265 Q HA 0.300 4.639 4.340 -0.001 0.000 0.249 265 Q C -2.371 173.582 176.000 -0.079 0.000 1.033 265 Q CA -1.866 53.910 55.803 -0.045 0.000 0.804 265 Q CB 1.743 30.461 28.738 -0.034 0.000 1.164 265 Q HN -0.021 nan 8.270 nan 0.000 0.500 266 P HA 0.096 nan 4.420 nan 0.000 0.257 266 P C -0.225 176.909 177.300 -0.276 0.000 1.325 266 P CA 0.056 62.998 63.100 -0.262 0.000 0.850 266 P CB -0.019 31.464 31.700 -0.361 0.000 1.324 267 F N -0.331 119.579 119.950 -0.067 0.000 2.743 267 F HA 0.143 4.669 4.527 -0.001 0.000 0.297 267 F C 1.465 177.240 175.800 -0.041 0.000 1.131 267 F CA -0.250 57.722 58.000 -0.047 0.000 1.426 267 F CB 0.053 39.032 39.000 -0.035 0.000 1.116 267 F HN -0.106 nan 8.300 nan 0.000 0.583 268 Q N 2.496 122.356 119.800 0.101 0.000 2.359 268 Q HA -0.035 4.304 4.340 -0.001 0.000 0.249 268 Q C 0.118 176.134 176.000 0.027 0.000 1.181 268 Q CA -0.003 55.825 55.803 0.041 0.000 0.897 268 Q CB -0.004 28.724 28.738 -0.017 0.000 1.424 268 Q HN 0.252 nan 8.270 nan 0.000 0.478 269 E N 3.415 123.640 120.200 0.042 0.000 2.498 269 E HA 0.207 4.557 4.350 -0.001 0.000 0.252 269 E C -0.559 176.053 176.600 0.020 0.000 1.025 269 E CA 0.750 57.166 56.400 0.026 0.000 0.938 269 E CB -0.143 29.580 29.700 0.038 0.000 0.947 269 E HN 0.856 nan 8.360 nan 0.000 0.478 270 G N 4.768 113.583 108.800 0.026 0.000 2.491 270 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.508 270 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.508 270 G C -1.232 173.800 174.900 0.220 0.000 1.143 270 G CA -0.669 44.475 45.100 0.073 0.000 1.277 270 G HN 0.413 nan 8.290 nan 0.000 0.599 271 F N 4.982 124.965 119.950 0.054 0.000 2.291 271 F HA 0.679 5.206 4.527 -0.001 0.000 0.368 271 F C 0.604 176.503 175.800 0.166 0.000 1.085 271 F CA -1.540 56.546 58.000 0.143 0.000 1.165 271 F CB 0.539 39.632 39.000 0.155 0.000 1.429 271 F HN 0.581 nan 8.300 nan 0.000 0.503 272 R N 7.537 128.093 120.500 0.094 0.000 2.513 272 R HA 0.654 4.993 4.340 -0.001 0.000 0.301 272 R C -1.648 174.635 176.300 -0.028 0.000 0.968 272 R CA -0.778 55.319 56.100 -0.005 0.000 0.872 272 R CB 1.512 31.918 30.300 0.177 0.000 1.177 272 R HN 0.655 nan 8.270 nan 0.000 0.444 273 I N -0.044 120.416 120.570 -0.183 0.000 2.433 273 I HA 0.554 4.723 4.170 -0.001 0.000 0.292 273 I C -0.759 175.268 176.117 -0.150 0.000 1.001 273 I CA -0.636 60.561 61.300 -0.171 0.000 1.119 273 I CB 2.306 40.183 38.000 -0.205 0.000 1.289 273 I HN 0.659 nan 8.210 nan 0.000 0.438 274 T N 2.908 117.372 114.554 -0.149 0.000 2.926 274 T HA 0.295 4.644 4.350 -0.001 0.000 0.289 274 T C 0.418 175.075 174.700 -0.072 0.000 1.054 274 T CA -0.305 61.705 62.100 -0.149 0.000 1.015 274 T CB 1.255 70.033 68.868 -0.150 0.000 1.167 274 T HN 0.632 nan 8.240 nan 0.000 0.526 275 Y N 1.633 121.801 120.300 -0.220 0.000 2.207 275 Y HA -0.113 4.436 4.550 -0.001 0.000 0.287 275 Y C 1.737 177.543 175.900 -0.156 0.000 1.156 275 Y CA 2.417 60.408 58.100 -0.182 0.000 1.182 275 Y CB -0.329 38.013 38.460 -0.198 0.000 0.979 275 Y HN 0.745 nan 8.280 nan 0.000 0.521 276 D N -0.231 120.159 120.400 -0.016 0.000 2.219 276 D HA -0.150 4.489 4.640 -0.001 0.000 0.205 276 D C 1.603 177.790 176.300 -0.188 0.000 0.970 276 D CA 1.554 55.469 54.000 -0.141 0.000 0.851 276 D CB -0.169 40.578 40.800 -0.088 0.000 0.943 276 D HN 0.425 nan 8.370 nan 0.000 0.488 277 D N -0.477 119.800 120.400 -0.205 0.000 2.249 277 D HA -0.004 4.635 4.640 -0.001 0.000 0.205 277 D C 1.417 177.584 176.300 -0.222 0.000 0.962 277 D CA 0.229 54.043 54.000 -0.309 0.000 0.860 277 D CB 0.164 40.688 40.800 -0.460 0.000 0.955 277 D HN 0.148 nan 8.370 nan 0.000 0.505 278 L N 1.307 122.447 121.223 -0.139 0.000 2.645 278 L HA 0.058 4.397 4.340 -0.001 0.000 0.235 278 L C 0.784 177.584 176.870 -0.117 0.000 1.150 278 L CA 0.252 55.049 54.840 -0.072 0.000 0.911 278 L CB -0.515 41.539 42.059 -0.008 0.000 1.077 278 L HN -0.084 nan 8.230 nan 0.000 0.438 279 E N -0.184 119.917 120.200 -0.164 0.000 2.558 279 E HA 0.187 4.536 4.350 -0.001 0.000 0.255 279 E C 1.195 177.714 176.600 -0.136 0.000 0.968 279 E CA 0.906 57.203 56.400 -0.172 0.000 0.939 279 E CB 0.151 29.753 29.700 -0.163 0.000 0.921 279 E HN 0.398 nan 8.360 nan 0.000 0.477 280 G N 2.757 111.472 108.800 -0.143 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 0.742 175.533 174.900 -0.182 0.000 0.997 280 G CA 0.227 45.242 45.100 -0.141 0.000 0.640 280 G HN 0.771 nan 8.290 nan 0.000 0.496 281 G N 0.533 109.232 108.800 -0.168 0.000 2.662 281 G HA2 0.206 4.165 3.960 -0.001 0.000 0.215 281 G HA3 0.206 4.165 3.960 -0.001 0.000 0.215 281 G C 0.682 175.441 174.900 -0.235 0.000 1.310 281 G CA 1.007 46.011 45.100 -0.159 0.000 0.849 281 G HN 1.164 nan 8.290 nan 0.000 0.568 282 N N 0.846 119.429 118.700 -0.195 0.000 2.608 282 N HA -0.151 4.589 4.740 -0.001 0.000 0.273 282 N C 0.522 175.881 175.510 -0.252 0.000 1.133 282 N CA 0.865 53.788 53.050 -0.211 0.000 0.726 282 N CB -1.263 37.052 38.487 -0.288 0.000 0.890 282 N HN 0.753 nan 8.380 nan 0.000 0.548 283 I N -0.381 120.098 120.570 -0.152 0.000 3.015 283 I HA 0.030 4.199 4.170 -0.001 0.000 0.309 283 I C -1.671 174.493 176.117 0.079 0.000 1.229 283 I CA -0.589 60.654 61.300 -0.094 0.000 1.430 283 I CB 0.281 38.081 38.000 -0.332 0.000 1.347 283 I HN 0.128 nan 8.210 nan 0.000 0.544 284 P HA 0.111 nan 4.420 nan 0.000 0.270 284 P C -0.294 177.323 177.300 0.529 0.000 1.223 284 P CA -0.211 63.111 63.100 0.370 0.000 0.785 284 P CB 0.671 32.607 31.700 0.394 0.000 0.923 285 A N 2.457 125.554 122.820 0.462 0.000 2.366 285 A HA 0.251 4.571 4.320 -0.001 0.000 0.249 285 A C 1.148 178.884 177.584 0.253 0.000 1.084 285 A CA -0.438 51.827 52.037 0.380 0.000 0.794 285 A CB -0.505 18.636 19.000 0.234 0.000 1.034 285 A HN 0.570 nan 8.150 nan 0.000 0.491 286 L N -0.471 120.815 121.223 0.105 0.000 2.483 286 L HA 0.385 4.724 4.340 -0.001 0.000 0.159 286 L C 0.074 176.881 176.870 -0.105 0.000 1.273 286 L CA 0.271 55.021 54.840 -0.150 0.000 2.526 286 L CB -0.102 41.822 42.059 -0.225 0.000 2.598 286 L HN 0.711 nan 8.230 nan 0.000 0.766 287 L N -0.618 120.521 121.223 -0.140 0.000 2.847 287 L HA 0.217 4.556 4.340 -0.001 0.000 0.261 287 L C -1.204 175.599 176.870 -0.111 0.000 0.926 287 L CA -0.498 54.270 54.840 -0.119 0.000 1.010 287 L CB 1.448 43.426 42.059 -0.135 0.000 1.538 287 L HN 0.259 nan 8.230 nan 0.000 0.465 288 D N 3.770 124.114 120.400 -0.093 0.000 2.383 288 D HA 0.044 4.683 4.640 -0.001 0.000 0.275 288 D C 1.368 177.654 176.300 -0.023 0.000 1.344 288 D CA 0.361 54.323 54.000 -0.064 0.000 0.984 288 D CB 1.279 42.049 40.800 -0.050 0.000 1.104 288 D HN 0.470 nan 8.370 nan 0.000 0.524 289 V N 4.263 124.165 119.914 -0.021 0.000 2.231 289 V HA -0.301 3.818 4.120 -0.001 0.000 0.250 289 V C 1.901 178.032 176.094 0.061 0.000 1.058 289 V CA 1.935 64.245 62.300 0.017 0.000 1.022 289 V CB -0.282 31.547 31.823 0.010 0.000 0.640 289 V HN 0.579 nan 8.190 nan 0.000 0.445 290 D N 0.798 121.219 120.400 0.034 0.000 2.224 290 D HA -0.016 4.624 4.640 -0.001 0.000 0.205 290 D C 1.626 177.949 176.300 0.038 0.000 0.965 290 D CA 1.368 55.387 54.000 0.032 0.000 0.852 290 D CB -0.112 40.696 40.800 0.012 0.000 0.947 290 D HN 0.521 nan 8.370 nan 0.000 0.494 291 A N -0.404 122.442 122.820 0.043 0.000 2.648 291 A HA 0.179 4.498 4.320 -0.001 0.000 0.269 291 A C 0.585 178.244 177.584 0.125 0.000 1.392 291 A CA -0.124 51.943 52.037 0.049 0.000 1.019 291 A CB -0.647 18.365 19.000 0.020 0.000 1.009 291 A HN 0.388 nan 8.150 nan 0.000 0.565 292 Y N -2.732 117.551 120.300 -0.029 0.000 3.215 292 Y HA 0.056 4.606 4.550 -0.001 0.000 0.206 292 Y C 1.740 177.627 175.900 -0.022 0.000 1.054 292 Y CA 0.553 58.637 58.100 -0.027 0.000 1.550 292 Y CB 0.018 38.459 38.460 -0.032 0.000 1.434 292 Y HN 0.190 nan 8.280 nan 0.000 0.391 293 Q N 0.977 120.844 119.800 0.112 0.000 2.083 293 Q HA 0.054 4.393 4.340 -0.001 0.000 0.198 293 Q C 1.930 177.902 176.000 -0.048 0.000 0.969 293 Q CA 1.594 57.400 55.803 0.005 0.000 0.838 293 Q CB 0.070 28.875 28.738 0.112 0.000 0.900 293 Q HN 0.595 nan 8.270 nan 0.000 0.436 294 A N -0.113 122.698 122.820 -0.015 0.000 2.178 294 A HA 0.007 4.327 4.320 -0.001 0.000 0.211 294 A C 1.990 179.549 177.584 -0.040 0.000 1.157 294 A CA 0.983 53.006 52.037 -0.024 0.000 0.780 294 A CB -0.123 18.874 19.000 -0.006 0.000 0.828 294 A HN 0.332 nan 8.150 nan 0.000 0.476 295 S N -0.592 115.076 115.700 -0.053 0.000 2.326 295 S HA 0.231 4.700 4.470 -0.001 0.000 0.177 295 S C 0.947 175.482 174.600 -0.108 0.000 1.249 295 S CA 0.776 58.935 58.200 -0.067 0.000 1.797 295 S CB -0.669 62.500 63.200 -0.052 0.000 0.744 295 S HN 0.815 nan 8.310 nan 0.000 0.375 313 K N 2.073 122.478 120.400 0.008 0.000 2.345 313 K HA 0.746 5.066 4.320 -0.001 0.000 0.255 313 K C -2.013 174.622 176.600 0.058 0.000 0.934 313 K CA -1.188 55.123 56.287 0.039 0.000 0.801 313 K CB 2.250 34.797 32.500 0.079 0.000 1.137 313 K HN -0.175 nan 8.250 nan 0.000 0.424 314 P HA 0.027 nan 4.420 nan 0.000 0.259 314 P C 0.959 178.314 177.300 0.091 0.000 1.530 314 P CA -0.198 62.945 63.100 0.072 0.000 1.022 314 P CB 0.066 31.800 31.700 0.056 0.000 1.514 315 V N 0.045 120.031 119.914 0.119 0.000 2.252 315 V HA -0.307 3.812 4.120 -0.001 0.000 0.255 315 V C 1.992 178.058 176.094 -0.047 0.000 1.071 315 V CA 2.188 64.498 62.300 0.017 0.000 1.050 315 V CB -2.112 29.686 31.823 -0.041 0.000 0.654 315 V HN 0.283 nan 8.190 nan 0.000 0.448 316 I N -0.702 119.850 120.570 -0.030 0.000 3.443 316 I HA 0.203 4.373 4.170 -0.001 0.000 0.312 316 I C 0.829 176.923 176.117 -0.038 0.000 1.155 316 I CA 0.543 61.818 61.300 -0.042 0.000 1.210 316 I CB -0.925 37.053 38.000 -0.037 0.000 0.999 316 I HN 0.262 nan 8.210 nan 0.000 0.537 317 K N 3.309 123.687 120.400 -0.038 0.000 2.334 317 K HA 0.480 4.799 4.320 -0.001 0.000 0.265 317 K C -2.567 173.999 176.600 -0.058 0.000 1.039 317 K CA -2.025 54.239 56.287 -0.039 0.000 0.920 317 K CB 1.137 33.622 32.500 -0.025 0.000 1.160 317 K HN -0.003 nan 8.250 nan 0.000 0.451 318 P HA -0.028 nan 4.420 nan 0.000 0.272 318 P C -0.729 176.495 177.300 -0.127 0.000 1.230 318 P CA -0.640 62.416 63.100 -0.072 0.000 0.788 318 P CB 0.520 32.195 31.700 -0.042 0.000 0.949 319 L N 2.526 123.623 121.223 -0.209 0.000 2.437 319 L HA 0.096 4.436 4.340 -0.001 0.000 0.243 319 L C 1.704 178.295 176.870 -0.465 0.000 1.346 319 L CA 0.730 55.375 54.840 -0.325 0.000 1.233 319 L CB -1.897 39.929 42.059 -0.387 0.000 1.436 319 L HN 0.411 nan 8.230 nan 0.000 0.416 320 T N 0.858 115.265 114.554 -0.245 0.000 2.701 320 T HA -0.214 4.136 4.350 -0.001 0.000 0.265 320 T C 0.817 175.435 174.700 -0.136 0.000 1.032 320 T CA 2.161 64.167 62.100 -0.157 0.000 1.158 320 T CB 0.173 68.996 68.868 -0.076 0.000 0.854 320 T HN 0.696 nan 8.240 nan 0.000 0.463 321 E N -0.887 119.221 120.200 -0.153 0.000 2.428 321 E HA 0.605 4.954 4.350 -0.001 0.000 0.259 321 E C -1.294 175.281 176.600 -0.042 0.000 0.930 321 E CA -0.863 55.523 56.400 -0.023 0.000 0.823 321 E CB 1.525 31.226 29.700 0.002 0.000 1.403 321 E HN 0.143 nan 8.360 nan 0.000 0.415 322 D N -1.205 119.261 120.400 0.109 0.000 2.756 322 D HA 0.253 4.892 4.640 -0.001 0.000 0.226 322 D C 0.179 176.539 176.300 0.099 0.000 1.186 322 D CA -0.119 53.961 54.000 0.133 0.000 0.845 322 D CB 1.730 42.739 40.800 0.348 0.000 1.610 322 D HN 0.336 nan 8.370 nan 0.000 0.465 323 S N 1.699 117.443 115.700 0.074 0.000 2.396 323 S HA -0.368 4.101 4.470 -0.001 0.000 0.476 323 S C 0.787 175.420 174.600 0.054 0.000 1.048 323 S CA 2.006 60.241 58.200 0.059 0.000 2.784 323 S CB -0.421 62.819 63.200 0.067 0.000 2.036 323 S HN 0.586 nan 8.310 nan 0.000 0.520 324 K N 1.272 121.712 120.400 0.066 0.000 3.226 324 K HA 0.154 4.473 4.320 -0.001 0.000 0.268 324 K C -0.092 176.544 176.600 0.061 0.000 1.217 324 K CA -0.106 56.217 56.287 0.059 0.000 1.242 324 K CB 0.048 32.586 32.500 0.063 0.000 1.389 324 K HN 0.301 nan 8.250 nan 0.000 0.406 325 K N 1.958 122.392 120.400 0.056 0.000 4.007 325 K HA -0.199 4.121 4.320 -0.001 0.000 0.279 325 K C -1.292 175.341 176.600 0.055 0.000 0.919 325 K CA 0.739 57.055 56.287 0.048 0.000 0.800 325 K CB -0.614 31.907 32.500 0.034 0.000 1.572 325 K HN 0.496 nan 8.250 nan 0.000 0.443 326 R N 0.764 121.313 120.500 0.082 0.000 2.388 326 R HA 0.220 4.560 4.340 -0.001 0.000 0.314 326 R C -0.061 176.319 176.300 0.133 0.000 0.959 326 R CA -0.663 55.480 56.100 0.072 0.000 0.851 326 R CB 1.795 32.128 30.300 0.056 0.000 1.168 326 R HN 0.147 nan 8.270 nan 0.000 0.472 327 S N 1.495 117.238 115.700 0.071 0.000 2.572 327 S HA 0.049 4.519 4.470 -0.001 0.000 0.279 327 S C 0.332 175.003 174.600 0.118 0.000 1.341 327 S CA -0.207 58.048 58.200 0.093 0.000 1.043 327 S CB 0.294 63.504 63.200 0.016 0.000 0.887 327 S HN 0.669 nan 8.310 nan 0.000 0.516 328 Y N 2.454 122.686 120.300 -0.114 0.000 2.468 328 Y HA 0.231 4.780 4.550 -0.001 0.000 0.268 328 Y C 0.963 176.694 175.900 -0.282 0.000 1.177 328 Y CA -0.505 57.495 58.100 -0.167 0.000 1.265 328 Y CB -0.014 38.427 38.460 -0.032 0.000 1.103 328 Y HN 0.737 nan 8.280 nan 0.000 0.522 329 N N 1.248 119.889 118.700 -0.098 0.000 2.714 329 N HA -0.215 4.524 4.740 -0.001 0.000 0.252 329 N C -0.845 174.632 175.510 -0.055 0.000 1.014 329 N CA 0.386 53.355 53.050 -0.136 0.000 0.735 329 N CB -1.667 36.643 38.487 -0.296 0.000 0.924 329 N HN 0.368 nan 8.380 nan 0.000 0.540 330 L N 0.696 121.928 121.223 0.016 0.000 2.456 330 L HA 0.091 4.431 4.340 -0.001 0.000 0.272 330 L C 2.378 179.269 176.870 0.035 0.000 1.189 330 L CA -0.668 54.203 54.840 0.052 0.000 0.846 330 L CB 0.249 42.340 42.059 0.053 0.000 1.111 330 L HN 0.052 nan 8.230 nan 0.000 0.475 331 I N 0.010 120.614 120.570 0.057 0.000 2.113 331 I HA -0.257 3.913 4.170 -0.001 0.000 0.242 331 I C 1.223 177.351 176.117 0.017 0.000 1.057 331 I CA 1.669 62.996 61.300 0.045 0.000 1.314 331 I CB -0.869 37.162 38.000 0.052 0.000 1.022 331 I HN 0.761 nan 8.210 nan 0.000 0.408 332 S N -1.233 114.468 115.700 0.002 0.000 2.705 332 S HA 0.364 4.833 4.470 -0.001 0.000 0.280 332 S C 0.751 175.342 174.600 -0.014 0.000 1.174 332 S CA -0.657 57.538 58.200 -0.009 0.000 0.823 332 S CB 1.388 64.577 63.200 -0.018 0.000 1.162 332 S HN 0.106 nan 8.310 nan 0.000 0.487 333 N N 1.106 119.795 118.700 -0.018 0.000 2.309 333 N HA -0.076 4.663 4.740 -0.001 0.000 0.182 333 N C 0.592 176.083 175.510 -0.032 0.000 1.018 333 N CA 1.258 54.294 53.050 -0.023 0.000 0.876 333 N CB -0.387 38.087 38.487 -0.021 0.000 0.972 333 N HN 0.509 nan 8.380 nan 0.000 0.434 334 D N 0.157 120.534 120.400 -0.039 0.000 2.117 334 D HA -0.021 4.618 4.640 -0.001 0.000 0.197 334 D C 0.503 176.755 176.300 -0.080 0.000 0.987 334 D CA 0.695 54.663 54.000 -0.054 0.000 0.829 334 D CB -0.165 40.602 40.800 -0.054 0.000 0.961 334 D HN -0.057 nan 8.370 nan 0.000 0.460 335 S N -0.774 114.876 115.700 -0.085 0.000 2.549 335 S HA 0.097 4.566 4.470 -0.001 0.000 0.283 335 S C 1.212 175.743 174.600 -0.115 0.000 1.320 335 S CA 0.064 58.179 58.200 -0.141 0.000 1.058 335 S CB 0.784 63.925 63.200 -0.098 0.000 0.882 335 S HN 0.356 nan 8.310 nan 0.000 0.498 336 T N 1.701 116.120 114.554 -0.225 0.000 3.122 336 T HA 0.350 4.700 4.350 -0.001 0.000 0.250 336 T C 0.165 174.958 174.700 0.155 0.000 1.067 336 T CA -0.131 61.924 62.100 -0.075 0.000 0.966 336 T CB -0.426 68.396 68.868 -0.077 0.000 1.002 336 T HN 0.449 nan 8.240 nan 0.000 0.542 337 F N 1.868 121.873 119.950 0.093 0.000 2.575 337 F HA 0.578 5.104 4.527 -0.001 0.000 0.330 337 F C 0.894 176.756 175.800 0.103 0.000 1.056 337 F CA -1.619 56.443 58.000 0.105 0.000 0.964 337 F CB 1.795 40.834 39.000 0.064 0.000 1.258 337 F HN -0.021 nan 8.300 nan 0.000 0.484 338 T N -2.208 112.552 114.554 0.344 0.000 2.944 338 T HA 0.215 4.564 4.350 -0.001 0.000 0.284 338 T C 0.229 175.040 174.700 0.185 0.000 1.010 338 T CA -0.758 61.475 62.100 0.221 0.000 1.025 338 T CB 1.742 70.748 68.868 0.231 0.000 1.079 338 T HN 0.666 nan 8.240 nan 0.000 0.516 339 Q N -0.475 119.393 119.800 0.113 0.000 2.472 339 Q HA 0.078 4.418 4.340 -0.001 0.000 0.208 339 Q C -0.365 175.812 176.000 0.295 0.000 0.958 339 Q CA 0.374 56.280 55.803 0.172 0.000 0.932 339 Q CB -0.089 28.722 28.738 0.121 0.000 1.007 339 Q HN 0.669 nan 8.270 nan 0.000 0.508 340 Y N 0.940 121.242 120.300 0.003 0.000 2.496 340 Y HA 0.170 4.720 4.550 -0.001 0.000 0.334 340 Y C 0.509 176.343 175.900 -0.109 0.000 1.080 340 Y CA -0.625 57.417 58.100 -0.096 0.000 1.355 340 Y CB 0.477 38.812 38.460 -0.209 0.000 1.193 340 Y HN -0.064 nan 8.280 nan 0.000 0.523 341 R N 1.891 122.408 120.500 0.028 0.000 2.460 341 R HA 0.327 4.667 4.340 -0.001 0.000 0.303 341 R C -0.860 175.382 176.300 -0.097 0.000 0.968 341 R CA -0.416 55.673 56.100 -0.019 0.000 0.889 341 R CB 1.639 31.994 30.300 0.092 0.000 1.123 341 R HN 0.545 nan 8.270 nan 0.000 0.455 342 S N 2.896 118.548 115.700 -0.081 0.000 2.478 342 S HA 0.137 4.606 4.470 -0.001 0.000 0.312 342 S C 0.299 174.952 174.600 0.089 0.000 1.094 342 S CA -0.807 57.387 58.200 -0.011 0.000 1.081 342 S CB 0.568 63.765 63.200 -0.006 0.000 1.007 342 S HN 0.771 nan 8.310 nan 0.000 0.475 343 W N 5.711 127.039 121.300 0.046 0.000 2.335 343 W HA -0.198 4.462 4.660 -0.001 0.000 0.311 343 W C 1.509 178.155 176.519 0.211 0.000 1.213 343 W CA 1.831 59.240 57.345 0.107 0.000 1.274 343 W CB -0.766 28.764 29.460 0.117 0.000 1.148 343 W HN 0.966 nan 8.180 nan 0.000 0.498 344 Y N 0.594 120.782 120.300 -0.187 0.000 2.224 344 Y HA -0.227 4.323 4.550 -0.001 0.000 0.289 344 Y C 2.264 177.976 175.900 -0.313 0.000 1.146 344 Y CA 2.572 60.456 58.100 -0.360 0.000 1.182 344 Y CB -0.665 37.781 38.460 -0.025 0.000 0.983 344 Y HN -0.034 nan 8.280 nan 0.000 0.524 345 L N -0.949 120.264 121.223 -0.017 0.000 2.156 345 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 345 L C 2.690 179.458 176.870 -0.170 0.000 1.095 345 L CA 0.876 55.690 54.840 -0.043 0.000 0.770 345 L CB -1.000 41.109 42.059 0.082 0.000 0.914 345 L HN 0.239 nan 8.230 nan 0.000 0.439 346 A N -0.484 122.222 122.820 -0.190 0.000 1.897 346 A HA -0.243 4.076 4.320 -0.001 0.000 0.215 346 A C 2.191 179.602 177.584 -0.288 0.000 1.181 346 A CA 1.130 53.052 52.037 -0.191 0.000 0.620 346 A CB -0.768 18.169 19.000 -0.105 0.000 0.821 346 A HN 0.411 nan 8.150 nan 0.000 0.443 347 Y N 0.858 120.863 120.300 -0.491 0.000 2.293 347 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 347 Y C 2.127 177.747 175.900 -0.468 0.000 1.137 347 Y CA 1.942 59.749 58.100 -0.489 0.000 1.202 347 Y CB 0.091 38.048 38.460 -0.839 0.000 0.990 347 Y HN 0.337 nan 8.280 nan 0.000 0.537 348 N N -2.045 116.274 118.700 -0.636 0.000 2.508 348 N HA -0.034 4.705 4.740 -0.001 0.000 0.186 348 N C 0.892 176.009 175.510 -0.655 0.000 1.034 348 N CA 1.113 53.689 53.050 -0.789 0.000 0.885 348 N CB -0.246 37.467 38.487 -1.289 0.000 1.135 348 N HN 0.400 nan 8.380 nan 0.000 0.435 349 Y N 0.637 120.752 120.300 -0.309 0.000 2.442 349 Y HA 0.385 4.934 4.550 -0.001 0.000 0.250 349 Y C 1.708 177.474 175.900 -0.223 0.000 1.113 349 Y CA -0.565 57.382 58.100 -0.254 0.000 1.273 349 Y CB 0.307 38.605 38.460 -0.269 0.000 1.138 349 Y HN -0.098 nan 8.280 nan 0.000 0.522 350 G N 0.128 108.860 108.800 -0.113 0.000 2.588 350 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.278 350 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.278 350 G C -0.740 174.090 174.900 -0.115 0.000 1.307 350 G CA -0.439 44.590 45.100 -0.119 0.000 1.016 350 G HN 0.107 nan 8.290 nan 0.000 0.503 351 D N 0.464 120.809 120.400 -0.093 0.000 2.382 351 D HA 0.071 4.710 4.640 -0.001 0.000 0.259 351 D C -1.059 175.183 176.300 -0.097 0.000 1.224 351 D CA -1.269 52.685 54.000 -0.076 0.000 0.894 351 D CB 1.577 42.347 40.800 -0.050 0.000 1.127 351 D HN -0.004 nan 8.370 nan 0.000 0.487 352 P HA -0.095 nan 4.420 nan 0.000 0.230 352 P C 0.733 177.986 177.300 -0.078 0.000 1.158 352 P CA 0.948 63.966 63.100 -0.137 0.000 0.769 352 P CB 0.510 32.131 31.700 -0.131 0.000 0.807 353 Q N -1.748 118.027 119.800 -0.041 0.000 2.391 353 Q HA 0.072 4.411 4.340 -0.001 0.000 0.243 353 Q C 1.725 177.736 176.000 0.019 0.000 0.874 353 Q CA 0.829 56.629 55.803 -0.006 0.000 0.950 353 Q CB 0.241 28.977 28.738 -0.003 0.000 1.103 353 Q HN 0.136 nan 8.270 nan 0.000 0.544 354 T N -0.781 113.776 114.554 0.004 0.000 3.009 354 T HA 0.171 4.520 4.350 -0.001 0.000 0.258 354 T C 0.755 175.471 174.700 0.026 0.000 1.063 354 T CA 0.714 62.824 62.100 0.017 0.000 1.139 354 T CB 0.250 69.117 68.868 -0.002 0.000 0.890 354 T HN 0.302 nan 8.240 nan 0.000 0.471 355 G N 0.190 108.990 108.800 0.000 0.000 3.075 355 G HA2 0.531 4.490 3.960 -0.001 0.000 0.253 355 G HA3 0.531 4.490 3.960 -0.001 0.000 0.253 355 G C 0.599 175.524 174.900 0.042 0.000 1.353 355 G CA -0.738 44.356 45.100 -0.011 0.000 1.051 355 G HN 0.084 nan 8.290 nan 0.000 0.553 356 I N 0.159 120.749 120.570 0.032 0.000 2.707 356 I HA -0.169 4.000 4.170 -0.001 0.000 0.266 356 I C 2.645 178.932 176.117 0.284 0.000 1.215 356 I CA 1.145 62.554 61.300 0.183 0.000 1.442 356 I CB -0.216 37.901 38.000 0.195 0.000 1.108 356 I HN 0.548 nan 8.210 nan 0.000 0.464 357 R N -0.352 120.130 120.500 -0.029 0.000 2.148 357 R HA -0.138 4.201 4.340 -0.001 0.000 0.227 357 R C 2.389 178.715 176.300 0.043 0.000 1.103 357 R CA 1.526 57.440 56.100 -0.310 0.000 0.983 357 R CB 0.015 29.917 30.300 -0.664 0.000 0.874 357 R HN 0.148 nan 8.270 nan 0.000 0.451 358 S N -0.562 115.217 115.700 0.131 0.000 2.425 358 S HA -0.064 4.405 4.470 -0.001 0.000 0.225 358 S C 1.296 176.077 174.600 0.301 0.000 1.024 358 S CA 0.193 58.501 58.200 0.180 0.000 0.951 358 S CB -0.191 63.097 63.200 0.147 0.000 0.796 358 S HN 0.541 nan 8.310 nan 0.000 0.498 359 W N 1.658 123.049 121.300 0.152 0.000 2.436 359 W HA 0.108 4.768 4.660 -0.001 0.000 0.284 359 W C 0.846 177.509 176.519 0.240 0.000 1.225 359 W CA 0.994 58.450 57.345 0.186 0.000 1.271 359 W CB -0.104 29.475 29.460 0.198 0.000 1.114 359 W HN 0.234 nan 8.180 nan 0.000 0.559 360 T N -0.460 114.454 114.554 0.599 0.000 2.696 360 T HA 0.507 4.857 4.350 -0.001 0.000 0.291 360 T C -1.822 173.199 174.700 0.535 0.000 1.095 360 T CA -0.563 61.866 62.100 0.547 0.000 1.026 360 T CB 1.351 70.643 68.868 0.707 0.000 1.390 360 T HN -0.219 nan 8.240 nan 0.000 0.513 361 L N 1.757 123.170 121.223 0.317 0.000 2.455 361 L HA 0.735 5.075 4.340 -0.001 0.000 0.264 361 L C -1.740 175.036 176.870 -0.157 0.000 0.968 361 L CA -0.787 54.117 54.840 0.106 0.000 0.827 361 L CB 1.844 43.962 42.059 0.097 0.000 1.317 361 L HN 0.509 nan 8.230 nan 0.000 0.407 362 L N 4.945 125.867 121.223 -0.501 0.000 2.295 362 L HA 0.488 4.827 4.340 -0.001 0.000 0.288 362 L C -0.758 176.070 176.870 -0.069 0.000 1.079 362 L CA 0.224 54.870 54.840 -0.323 0.000 0.830 362 L CB -0.292 41.466 42.059 -0.501 0.000 1.200 362 L HN 0.765 nan 8.230 nan 0.000 0.438 363 C N 1.494 120.791 119.300 -0.004 0.000 2.595 363 C HA 0.737 5.197 4.460 -0.001 0.000 0.338 363 C C 0.766 175.761 174.990 0.008 0.000 1.219 363 C CA -0.851 58.161 59.018 -0.010 0.000 1.811 363 C CB 1.451 29.168 27.740 -0.039 0.000 2.313 363 C HN 0.823 nan 8.230 nan 0.000 0.499 364 T N 0.562 115.110 114.554 -0.010 0.000 2.918 364 T HA 0.301 4.650 4.350 -0.001 0.000 0.302 364 T C -2.321 172.360 174.700 -0.031 0.000 1.045 364 T CA -0.695 61.398 62.100 -0.012 0.000 1.114 364 T CB 0.099 68.947 68.868 -0.035 0.000 0.965 364 T HN 0.630 nan 8.240 nan 0.000 0.540 365 P HA 0.097 nan 4.420 nan 0.000 0.260 365 P C -0.719 176.535 177.300 -0.077 0.000 1.172 365 P CA 0.157 63.221 63.100 -0.059 0.000 0.760 365 P CB 0.302 31.979 31.700 -0.040 0.000 0.773 366 D N 3.181 123.521 120.400 -0.099 0.000 2.412 366 D HA 0.045 4.684 4.640 -0.001 0.000 0.224 366 D C 0.952 177.187 176.300 -0.108 0.000 1.093 366 D CA -0.568 53.372 54.000 -0.099 0.000 0.850 366 D CB 1.027 41.765 40.800 -0.104 0.000 1.046 366 D HN -0.065 nan 8.370 nan 0.000 0.507 367 V N 3.656 123.507 119.914 -0.104 0.000 3.078 367 V HA -0.158 3.962 4.120 -0.001 0.000 0.265 367 V C 1.645 177.681 176.094 -0.097 0.000 1.122 367 V CA 2.323 64.558 62.300 -0.108 0.000 1.141 367 V CB -0.292 31.458 31.823 -0.121 0.000 0.735 367 V HN 0.695 nan 8.190 nan 0.000 0.498 368 T N -3.450 111.051 114.554 -0.089 0.000 3.031 368 T HA -0.031 4.318 4.350 -0.001 0.000 0.254 368 T C 1.318 175.968 174.700 -0.083 0.000 1.060 368 T CA 0.774 62.829 62.100 -0.075 0.000 1.135 368 T CB -0.170 68.664 68.868 -0.057 0.000 0.896 368 T HN 0.489 nan 8.240 nan 0.000 0.472 369 C N 0.180 119.422 119.300 -0.097 0.000 5.277 369 C HA -0.042 4.417 4.460 -0.001 0.000 0.225 369 C C 1.900 176.823 174.990 -0.112 0.000 1.237 369 C CA 0.411 59.364 59.018 -0.110 0.000 1.297 369 C CB -1.807 25.874 27.740 -0.099 0.000 1.947 369 C HN 0.875 nan 8.230 nan 0.000 0.642 370 G N -1.116 107.620 108.800 -0.106 0.000 4.130 370 G HA2 0.405 4.364 3.960 -0.001 0.000 0.162 370 G HA3 0.405 4.364 3.960 -0.001 0.000 0.162 370 G C 0.331 175.172 174.900 -0.098 0.000 1.099 370 G CA 0.866 45.898 45.100 -0.112 0.000 0.889 370 G HN 1.920 nan 8.290 nan 0.000 0.547 371 S N 1.099 116.748 115.700 -0.085 0.000 3.292 371 S HA -0.201 4.268 4.470 -0.001 0.000 0.360 371 S C -0.074 174.479 174.600 -0.078 0.000 0.930 371 S CA 1.417 59.576 58.200 -0.068 0.000 1.317 371 S CB -1.859 61.313 63.200 -0.047 0.000 0.920 371 S HN 0.717 nan 8.310 nan 0.000 0.540 372 E N 1.886 122.025 120.200 -0.102 0.000 2.349 372 E HA 0.247 4.596 4.350 -0.001 0.000 0.265 372 E C 0.807 177.334 176.600 -0.122 0.000 1.064 372 E CA -0.806 55.519 56.400 -0.124 0.000 0.886 372 E CB 0.444 30.046 29.700 -0.163 0.000 1.036 372 E HN 0.764 nan 8.360 nan 0.000 0.413 373 Q N 1.068 120.769 119.800 -0.165 0.000 2.260 373 Q HA 0.321 4.660 4.340 -0.001 0.000 0.242 373 Q C -0.314 175.511 176.000 -0.292 0.000 0.932 373 Q CA -0.651 55.045 55.803 -0.178 0.000 0.891 373 Q CB 1.225 29.875 28.738 -0.147 0.000 1.222 373 Q HN 0.325 nan 8.270 nan 0.000 0.453 374 V N -0.107 119.710 119.914 -0.161 0.000 2.975 374 V HA 0.684 4.803 4.120 -0.001 0.000 0.318 374 V C -1.016 175.115 176.094 0.061 0.000 1.077 374 V CA -1.031 61.194 62.300 -0.125 0.000 1.000 374 V CB 0.964 32.754 31.823 -0.055 0.000 1.066 374 V HN 0.738 nan 8.190 nan 0.000 0.452 375 Y N -0.947 119.366 120.300 0.021 0.000 2.442 375 Y HA 0.626 5.175 4.550 -0.001 0.000 0.344 375 Y C -0.769 175.152 175.900 0.036 0.000 0.976 375 Y CA -0.872 57.284 58.100 0.093 0.000 1.040 375 Y CB 1.329 39.873 38.460 0.141 0.000 1.228 375 Y HN 0.703 nan 8.280 nan 0.000 0.451 376 W N 1.870 123.248 121.300 0.129 0.000 2.316 376 W HA 0.618 5.278 4.660 -0.001 0.000 0.321 376 W C -0.488 176.015 176.519 -0.027 0.000 1.203 376 W CA -0.301 57.051 57.345 0.012 0.000 1.214 376 W CB 1.558 30.942 29.460 -0.127 0.000 1.169 376 W HN 0.431 nan 8.180 nan 0.000 0.561 377 S N 3.047 118.869 115.700 0.203 0.000 2.672 377 S HA 0.534 5.003 4.470 -0.001 0.000 0.291 377 S C -0.672 173.923 174.600 -0.008 0.000 1.145 377 S CA -0.894 57.348 58.200 0.070 0.000 1.013 377 S CB 0.841 64.131 63.200 0.150 0.000 1.017 377 S HN 0.498 nan 8.310 nan 0.000 0.487 378 L N 2.636 123.809 121.223 -0.083 0.000 3.209 378 L HA 0.301 4.640 4.340 -0.001 0.000 0.279 378 L C -1.847 174.911 176.870 -0.185 0.000 1.301 378 L CA -1.507 53.261 54.840 -0.120 0.000 1.004 378 L CB 0.710 42.718 42.059 -0.085 0.000 1.402 378 L HN 0.446 nan 8.230 nan 0.000 0.577 379 P HA -0.035 nan 4.420 nan 0.000 0.242 379 P C 0.179 177.334 177.300 -0.241 0.000 1.197 379 P CA 0.757 63.689 63.100 -0.281 0.000 0.765 379 P CB 0.054 31.489 31.700 -0.441 0.000 0.936 380 D N -1.996 118.272 120.400 -0.219 0.000 2.340 380 D HA 0.183 4.822 4.640 -0.001 0.000 0.217 380 D C 1.508 177.740 176.300 -0.113 0.000 1.081 380 D CA 0.268 54.175 54.000 -0.154 0.000 0.842 380 D CB 0.211 40.921 40.800 -0.149 0.000 0.934 380 D HN 0.145 nan 8.370 nan 0.000 0.511 381 M N -0.764 118.767 119.600 -0.115 0.000 3.103 381 M HA 0.288 4.768 4.480 -0.001 0.000 0.208 381 M C -0.524 175.730 176.300 -0.077 0.000 1.849 381 M CA -0.075 55.169 55.300 -0.093 0.000 1.378 381 M CB 0.538 33.078 32.600 -0.100 0.000 1.142 381 M HN -0.154 nan 8.290 nan 0.000 0.600 382 M N 2.565 122.113 119.600 -0.087 0.000 2.249 382 M HA 0.036 4.515 4.480 -0.001 0.000 0.340 382 M C -0.476 175.784 176.300 -0.066 0.000 1.166 382 M CA 0.543 55.800 55.300 -0.073 0.000 1.115 382 M CB 0.688 33.234 32.600 -0.090 0.000 1.606 382 M HN 0.216 nan 8.290 nan 0.000 0.448 383 Q N 3.066 122.844 119.800 -0.037 0.000 2.276 383 Q HA 0.051 4.390 4.340 -0.001 0.000 0.267 383 Q C -0.706 175.257 176.000 -0.063 0.000 1.135 383 Q CA -0.093 55.693 55.803 -0.028 0.000 0.910 383 Q CB -0.691 28.051 28.738 0.006 0.000 1.271 383 Q HN 0.653 nan 8.270 nan 0.000 0.417 384 D N 3.223 123.575 120.400 -0.080 0.000 2.661 384 D HA 0.004 4.643 4.640 -0.001 0.000 0.244 384 D C -2.155 174.091 176.300 -0.090 0.000 1.196 384 D CA -0.765 53.161 54.000 -0.123 0.000 0.881 384 D CB -0.061 40.693 40.800 -0.077 0.000 1.141 384 D HN 0.166 nan 8.370 nan 0.000 0.530 385 P HA -0.019 nan 4.420 nan 0.000 0.272 385 P C -0.243 177.111 177.300 0.090 0.000 1.243 385 P CA -0.619 62.453 63.100 -0.048 0.000 0.803 385 P CB 0.309 31.950 31.700 -0.099 0.000 0.974 386 V N -1.810 118.171 119.914 0.111 0.000 2.694 386 V HA 0.117 4.236 4.120 -0.001 0.000 0.306 386 V C 1.187 177.398 176.094 0.195 0.000 1.054 386 V CA 0.682 63.053 62.300 0.118 0.000 1.161 386 V CB -0.682 31.188 31.823 0.077 0.000 0.916 386 V HN 1.023 nan 8.190 nan 0.000 0.490 387 T N 0.712 115.345 114.554 0.131 0.000 9.545 387 T HA -0.276 4.073 4.350 -0.001 0.000 0.344 387 T C -0.144 174.632 174.700 0.127 0.000 1.908 387 T CA 1.124 63.275 62.100 0.084 0.000 3.011 387 T CB -2.487 66.381 68.868 0.000 0.000 2.298 387 T HN 0.966 nan 8.240 nan 0.000 0.992 388 F N 4.008 123.958 119.950 -0.001 0.000 2.472 388 F HA 0.582 5.108 4.527 -0.001 0.000 0.364 388 F C 1.290 177.099 175.800 0.014 0.000 1.090 388 F CA -0.839 57.164 58.000 0.005 0.000 1.188 388 F CB 0.633 39.635 39.000 0.003 0.000 1.105 388 F HN 0.096 nan 8.300 nan 0.000 0.536 389 R N 1.710 122.345 120.500 0.226 0.000 2.585 389 R HA 0.000 4.340 4.340 -0.001 0.000 0.275 389 R C 0.078 176.473 176.300 0.158 0.000 1.018 389 R CA -0.123 56.063 56.100 0.143 0.000 1.072 389 R CB 0.504 30.861 30.300 0.096 0.000 0.953 389 R HN 0.455 nan 8.270 nan 0.000 0.419 390 S N 1.394 117.159 115.700 0.109 0.000 2.409 390 S HA 0.185 4.655 4.470 -0.001 0.000 0.308 390 S C -0.044 174.620 174.600 0.108 0.000 1.080 390 S CA -0.069 58.188 58.200 0.094 0.000 1.081 390 S CB 0.302 63.536 63.200 0.057 0.000 1.009 390 S HN 0.530 nan 8.310 nan 0.000 0.502 391 T N 1.726 116.379 114.554 0.165 0.000 2.858 391 T HA 0.579 4.928 4.350 -0.001 0.000 0.285 391 T C 0.322 175.195 174.700 0.288 0.000 1.052 391 T CA -0.436 61.772 62.100 0.181 0.000 1.009 391 T CB 1.333 70.290 68.868 0.149 0.000 1.241 391 T HN 0.474 nan 8.240 nan 0.000 0.542 392 S N 0.310 116.155 115.700 0.241 0.000 2.937 392 S HA 0.296 4.765 4.470 -0.001 0.000 0.252 392 S C 0.107 174.788 174.600 0.135 0.000 1.022 392 S CA -0.469 57.920 58.200 0.315 0.000 1.079 392 S CB 0.021 63.326 63.200 0.175 0.000 1.035 392 S HN 0.652 nan 8.310 nan 0.000 0.594 393 Q N 1.750 121.533 119.800 -0.029 0.000 2.349 393 Q HA 0.370 4.710 4.340 -0.001 0.000 0.254 393 Q C 0.550 176.150 176.000 -0.668 0.000 0.980 393 Q CA -0.431 55.246 55.803 -0.209 0.000 0.924 393 Q CB 0.393 29.061 28.738 -0.117 0.000 1.209 393 Q HN 0.580 nan 8.270 nan 0.000 0.445 394 I N 1.358 121.503 120.570 -0.708 0.000 2.953 394 I HA -0.222 3.947 4.170 -0.001 0.000 0.271 394 I C 1.111 176.828 176.117 -0.667 0.000 1.286 394 I CA 0.881 61.585 61.300 -0.993 0.000 1.449 394 I CB -0.154 37.643 38.000 -0.339 0.000 1.086 394 I HN 0.343 nan 8.210 nan 0.000 0.483 395 S N -0.465 114.972 115.700 -0.438 0.000 2.539 395 S HA 0.118 4.588 4.470 -0.001 0.000 0.221 395 S C 1.185 175.706 174.600 -0.132 0.000 0.987 395 S CA -0.248 57.829 58.200 -0.204 0.000 0.929 395 S CB -0.217 62.909 63.200 -0.122 0.000 0.832 395 S HN 0.640 nan 8.310 nan 0.000 0.492 396 N N 0.372 118.959 118.700 -0.190 0.000 2.142 396 N HA 0.187 4.926 4.740 -0.001 0.000 0.233 396 N C -1.176 174.414 175.510 0.134 0.000 1.335 396 N CA -0.167 52.876 53.050 -0.011 0.000 0.837 396 N CB 0.338 38.820 38.487 -0.008 0.000 1.238 396 N HN 0.042 nan 8.380 nan 0.000 0.501 397 F N 3.280 123.274 119.950 0.073 0.000 2.590 397 F HA 0.188 4.714 4.527 -0.001 0.000 0.389 397 F C -1.504 174.322 175.800 0.043 0.000 1.049 397 F CA -1.833 56.194 58.000 0.045 0.000 1.199 397 F CB -0.269 38.737 39.000 0.011 0.000 1.058 397 F HN 0.056 nan 8.300 nan 0.000 0.556 398 P HA -0.094 nan 4.420 nan 0.000 0.265 398 P C -0.390 176.671 177.300 -0.397 0.000 1.167 398 P CA 0.252 63.196 63.100 -0.261 0.000 0.760 398 P CB 0.402 31.950 31.700 -0.254 0.000 0.783 399 V N 4.055 123.456 119.914 -0.856 0.000 2.394 399 V HA 0.102 4.221 4.120 -0.001 0.000 0.282 399 V C 1.558 177.438 176.094 -0.357 0.000 1.031 399 V CA -0.171 61.888 62.300 -0.402 0.000 0.881 399 V CB 1.539 33.205 31.823 -0.261 0.000 0.982 399 V HN 0.506 nan 8.190 nan 0.000 0.451 400 V N 1.701 121.527 119.914 -0.146 0.000 3.565 400 V HA 0.712 4.831 4.120 -0.001 0.000 0.260 400 V C 0.681 176.767 176.094 -0.012 0.000 1.231 400 V CA 0.934 63.170 62.300 -0.106 0.000 1.100 400 V CB 0.132 31.895 31.823 -0.100 0.000 0.807 400 V HN 0.976 nan 8.190 nan 0.000 0.454 401 G N -0.861 107.986 108.800 0.079 0.000 2.616 401 G HA2 0.709 4.668 3.960 -0.001 0.000 0.294 401 G HA3 0.709 4.668 3.960 -0.001 0.000 0.294 401 G C -1.486 173.677 174.900 0.438 0.000 1.489 401 G CA -0.141 45.106 45.100 0.246 0.000 0.836 401 G HN 1.045 nan 8.290 nan 0.000 0.527 402 A N 0.815 123.971 122.820 0.560 0.000 2.385 402 A HA 0.822 5.142 4.320 -0.001 0.000 0.290 402 A C -0.403 177.476 177.584 0.492 0.000 1.094 402 A CA -0.441 51.937 52.037 0.569 0.000 0.729 402 A CB 1.566 20.914 19.000 0.580 0.000 1.194 402 A HN 0.656 nan 8.150 nan 0.000 0.442 403 E N 1.062 121.560 120.200 0.497 0.000 2.254 403 E HA 0.569 4.918 4.350 -0.001 0.000 0.261 403 E C -0.958 175.746 176.600 0.173 0.000 1.051 403 E CA -0.770 55.843 56.400 0.355 0.000 0.902 403 E CB 1.289 31.263 29.700 0.456 0.000 1.168 403 E HN 0.610 nan 8.360 nan 0.000 0.423 404 L N 2.896 124.184 121.223 0.109 0.000 2.305 404 L HA 0.246 4.585 4.340 -0.001 0.000 0.281 404 L C -0.777 176.122 176.870 0.049 0.000 1.085 404 L CA -0.239 54.629 54.840 0.047 0.000 0.813 404 L CB 0.931 43.003 42.059 0.021 0.000 1.157 404 L HN 0.496 nan 8.230 nan 0.000 0.436 405 L N 8.613 129.845 121.223 0.015 0.000 2.628 405 L HA 0.193 4.533 4.340 -0.001 0.000 0.274 405 L C -1.874 175.016 176.870 0.034 0.000 1.209 405 L CA -0.461 54.392 54.840 0.022 0.000 0.930 405 L CB -0.001 42.052 42.059 -0.010 0.000 1.183 405 L HN 0.520 nan 8.230 nan 0.000 0.492 406 P HA 0.135 nan 4.420 nan 0.000 0.244 406 P C -1.461 175.887 177.300 0.081 0.000 1.769 406 P CA 0.019 63.164 63.100 0.075 0.000 1.102 406 P CB -0.059 31.713 31.700 0.122 0.000 1.937 407 V N 1.477 121.428 119.914 0.062 0.000 2.711 407 V HA 0.588 4.707 4.120 -0.001 0.000 0.304 407 V C -0.521 175.646 176.094 0.122 0.000 1.097 407 V CA -0.775 61.579 62.300 0.090 0.000 0.906 407 V CB 1.917 33.763 31.823 0.037 0.000 1.015 407 V HN 0.599 nan 8.190 nan 0.000 0.427 408 H N 2.082 121.132 119.070 -0.034 0.000 2.864 408 H HA 0.777 5.333 4.556 -0.001 0.000 0.354 408 H C -0.387 174.892 175.328 -0.081 0.000 1.208 408 H CA -0.344 55.671 56.048 -0.056 0.000 1.191 408 H CB 1.856 31.586 29.762 -0.052 0.000 1.889 408 H HN 0.854 nan 8.280 nan 0.000 0.574 409 S N 1.042 116.671 115.700 -0.119 0.000 2.452 409 S HA 0.357 4.827 4.470 -0.001 0.000 0.284 409 S C -0.136 174.157 174.600 -0.511 0.000 1.171 409 S CA -0.866 57.164 58.200 -0.282 0.000 1.064 409 S CB 0.749 63.848 63.200 -0.168 0.000 0.967 409 S HN 0.526 nan 8.310 nan 0.000 0.484 410 K N 2.899 122.950 120.400 -0.582 0.000 2.316 410 K HA 0.393 4.712 4.320 -0.001 0.000 0.267 410 K C -0.294 175.860 176.600 -0.743 0.000 1.025 410 K CA -0.268 55.627 56.287 -0.654 0.000 0.896 410 K CB 1.159 33.264 32.500 -0.659 0.000 1.124 410 K HN 0.805 nan 8.250 nan 0.000 0.451 411 S N 2.833 118.159 115.700 -0.624 0.000 2.586 411 S HA 0.639 5.108 4.470 -0.001 0.000 0.274 411 S C -0.338 173.865 174.600 -0.661 0.000 1.281 411 S CA -0.647 57.265 58.200 -0.481 0.000 1.035 411 S CB 0.484 63.546 63.200 -0.231 0.000 0.962 411 S HN 0.336 nan 8.310 nan 0.000 0.512 412 F N -0.263 119.675 119.950 -0.021 0.000 2.664 412 F HA 0.559 5.086 4.527 -0.001 0.000 0.329 412 F C -0.563 175.296 175.800 0.098 0.000 1.090 412 F CA -1.266 56.746 58.000 0.021 0.000 0.978 412 F CB 1.173 40.168 39.000 -0.008 0.000 1.378 412 F HN 0.597 nan 8.300 nan 0.000 0.495 413 Y N 1.099 121.507 120.300 0.181 0.000 2.446 413 Y HA 0.531 5.080 4.550 -0.001 0.000 0.338 413 Y C -0.835 175.091 175.900 0.043 0.000 1.055 413 Y CA -0.935 57.209 58.100 0.073 0.000 1.101 413 Y CB 1.766 40.247 38.460 0.035 0.000 1.221 413 Y HN 0.611 nan 8.280 nan 0.000 0.460 414 N N 2.928 121.516 118.700 -0.186 0.000 2.697 414 N HA 0.129 4.868 4.740 -0.001 0.000 0.271 414 N C -1.101 174.215 175.510 -0.323 0.000 1.149 414 N CA -0.281 52.673 53.050 -0.160 0.000 0.939 414 N CB 1.042 39.462 38.487 -0.112 0.000 1.534 414 N HN 0.625 nan 8.380 nan 0.000 0.556 415 D N 1.283 121.547 120.400 -0.227 0.000 2.347 415 D HA 0.042 4.682 4.640 -0.001 0.000 0.213 415 D C 0.675 176.792 176.300 -0.306 0.000 0.985 415 D CA 0.820 54.668 54.000 -0.253 0.000 0.879 415 D CB 0.449 41.185 40.800 -0.107 0.000 0.919 415 D HN 0.607 nan 8.370 nan 0.000 0.526 416 Q N -0.381 119.287 119.800 -0.219 0.000 2.491 416 Q HA 0.075 4.415 4.340 -0.001 0.000 0.214 416 Q C 1.623 177.518 176.000 -0.175 0.000 0.970 416 Q CA 0.279 55.965 55.803 -0.195 0.000 0.960 416 Q CB 0.233 28.976 28.738 0.007 0.000 0.996 416 Q HN 0.236 nan 8.270 nan 0.000 0.524 417 A N 0.063 122.752 122.820 -0.217 0.000 2.014 417 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 417 A C 2.151 179.624 177.584 -0.185 0.000 1.163 417 A CA 0.787 52.715 52.037 -0.182 0.000 0.652 417 A CB -0.155 18.719 19.000 -0.209 0.000 0.808 417 A HN 0.238 nan 8.150 nan 0.000 0.449 418 V N -1.301 118.433 119.914 -0.300 0.000 2.307 418 V HA -0.242 3.877 4.120 -0.001 0.000 0.245 418 V C 1.726 177.707 176.094 -0.188 0.000 1.045 418 V CA 1.489 63.607 62.300 -0.303 0.000 1.024 418 V CB -1.013 30.509 31.823 -0.501 0.000 0.651 418 V HN 0.749 nan 8.190 nan 0.000 0.449 419 Y N 0.454 120.750 120.300 -0.006 0.000 2.596 419 Y HA 0.122 4.671 4.550 -0.001 0.000 0.316 419 Y C 2.312 178.215 175.900 0.006 0.000 1.156 419 Y CA 0.090 58.195 58.100 0.008 0.000 1.300 419 Y CB -0.409 38.053 38.460 0.004 0.000 1.130 419 Y HN 0.308 nan 8.280 nan 0.000 0.518 420 S N -0.474 115.258 115.700 0.053 0.000 2.399 420 S HA -0.252 4.218 4.470 -0.001 0.000 0.231 420 S C 1.644 176.293 174.600 0.083 0.000 1.022 420 S CA 1.062 59.286 58.200 0.040 0.000 0.983 420 S CB -0.158 63.033 63.200 -0.014 0.000 0.803 420 S HN 0.589 nan 8.310 nan 0.000 0.480 421 Q N 0.712 120.575 119.800 0.105 0.000 2.050 421 Q HA 0.064 4.403 4.340 -0.001 0.000 0.202 421 Q C 1.862 177.953 176.000 0.152 0.000 0.980 421 Q CA 1.444 57.325 55.803 0.130 0.000 0.840 421 Q CB -0.419 28.397 28.738 0.130 0.000 0.898 421 Q HN 0.536 nan 8.270 nan 0.000 0.424 422 L N 0.574 121.904 121.223 0.178 0.000 2.650 422 L HA -0.015 4.324 4.340 -0.001 0.000 0.235 422 L C 1.666 178.627 176.870 0.151 0.000 1.149 422 L CA -0.048 54.899 54.840 0.178 0.000 0.887 422 L CB -0.004 42.149 42.059 0.156 0.000 1.021 422 L HN 0.241 nan 8.230 nan 0.000 0.441 423 I N -0.939 119.707 120.570 0.127 0.000 2.188 423 I HA -0.182 3.988 4.170 -0.001 0.000 0.237 423 I C 2.470 178.656 176.117 0.114 0.000 1.073 423 I CA 0.729 62.087 61.300 0.097 0.000 1.359 423 I CB -0.198 37.842 38.000 0.067 0.000 1.083 423 I HN 0.232 nan 8.210 nan 0.000 0.412 424 R N 0.825 121.393 120.500 0.113 0.000 2.091 424 R HA -0.186 4.153 4.340 -0.001 0.000 0.238 424 R C 2.113 178.438 176.300 0.042 0.000 1.136 424 R CA 1.379 57.530 56.100 0.085 0.000 0.959 424 R CB -0.827 29.541 30.300 0.113 0.000 0.856 424 R HN 0.548 nan 8.270 nan 0.000 0.437 425 Q N -1.096 118.763 119.800 0.098 0.000 2.170 425 Q HA -0.079 4.260 4.340 -0.001 0.000 0.203 425 Q C 1.207 177.268 176.000 0.100 0.000 0.976 425 Q CA 1.304 57.156 55.803 0.081 0.000 0.858 425 Q CB 0.055 28.869 28.738 0.126 0.000 0.907 425 Q HN 0.288 nan 8.270 nan 0.000 0.433 426 F N -1.564 118.381 119.950 -0.008 0.000 2.706 426 F HA 0.090 4.616 4.527 -0.001 0.000 0.308 426 F C 1.949 177.743 175.800 -0.010 0.000 1.095 426 F CA -0.040 57.954 58.000 -0.010 0.000 1.244 426 F CB 0.697 39.694 39.000 -0.004 0.000 1.063 426 F HN -0.057 nan 8.300 nan 0.000 0.582 427 T N -1.283 113.369 114.554 0.165 0.000 2.614 427 T HA -0.169 4.180 4.350 -0.001 0.000 0.263 427 T C 1.715 176.453 174.700 0.062 0.000 1.055 427 T CA 2.014 64.171 62.100 0.094 0.000 1.162 427 T CB -0.243 68.670 68.868 0.076 0.000 0.863 427 T HN 0.141 nan 8.240 nan 0.000 0.414 428 S N -1.632 114.078 115.700 0.017 0.000 2.583 428 S HA 0.217 4.686 4.470 -0.001 0.000 0.264 428 S C 0.128 174.676 174.600 -0.086 0.000 1.008 428 S CA -0.276 57.912 58.200 -0.020 0.000 1.435 428 S CB -0.093 63.098 63.200 -0.015 0.000 1.236 428 S HN 0.290 nan 8.310 nan 0.000 0.669 429 L N 2.364 123.500 121.223 -0.146 0.000 3.858 429 L HA -0.216 4.123 4.340 -0.001 0.000 0.425 429 L C 1.138 177.729 176.870 -0.465 0.000 1.177 429 L CA 1.765 56.411 54.840 -0.322 0.000 0.943 429 L CB -2.098 39.842 42.059 -0.198 0.000 1.861 429 L HN 0.604 nan 8.230 nan 0.000 0.985 430 T N -5.024 109.335 114.554 -0.325 0.000 2.937 430 T HA 0.017 4.366 4.350 -0.001 0.000 0.260 430 T C 1.001 175.638 174.700 -0.104 0.000 1.051 430 T CA 0.650 62.642 62.100 -0.181 0.000 1.141 430 T CB -0.297 68.503 68.868 -0.114 0.000 0.879 430 T HN 0.600 nan 8.240 nan 0.000 0.459 431 H N 0.101 119.161 119.070 -0.017 0.000 2.791 431 H HA -0.114 4.442 4.556 -0.001 0.000 0.302 431 H C 1.174 176.452 175.328 -0.084 0.000 1.198 431 H CA 0.481 56.518 56.048 -0.019 0.000 1.145 431 H CB -2.309 27.439 29.762 -0.022 0.000 1.385 431 H HN 0.336 nan 8.280 nan 0.000 0.409 432 V N -0.761 119.104 119.914 -0.081 0.000 2.427 432 V HA -0.181 3.938 4.120 -0.001 0.000 0.248 432 V C 1.778 177.693 176.094 -0.299 0.000 1.051 432 V CA 2.014 64.147 62.300 -0.277 0.000 1.048 432 V CB -0.410 31.113 31.823 -0.500 0.000 0.666 432 V HN 0.281 nan 8.190 nan 0.000 0.456 433 F N 0.930 120.889 119.950 0.015 0.000 2.873 433 F HA 0.370 4.896 4.527 -0.001 0.000 0.289 433 F C 0.894 176.700 175.800 0.010 0.000 1.206 433 F CA 0.029 58.039 58.000 0.016 0.000 1.401 433 F CB -0.147 38.872 39.000 0.031 0.000 0.996 433 F HN 0.155 nan 8.300 nan 0.000 0.511 434 N N 0.378 119.123 118.700 0.074 0.000 2.898 434 N HA 0.009 4.748 4.740 -0.001 0.000 0.203 434 N C 0.858 176.288 175.510 -0.133 0.000 1.276 434 N CA 0.054 53.125 53.050 0.035 0.000 1.743 434 N CB 0.012 38.589 38.487 0.151 0.000 1.505 434 N HN -0.119 nan 8.380 nan 0.000 0.636 435 R N -0.324 119.922 120.500 -0.423 0.000 2.280 435 R HA 0.201 4.540 4.340 -0.001 0.000 0.207 435 R C -0.127 175.760 176.300 -0.689 0.000 1.043 435 R CA 0.763 56.454 56.100 -0.683 0.000 1.006 435 R CB -0.220 29.486 30.300 -0.991 0.000 0.885 435 R HN 0.316 nan 8.270 nan 0.000 0.467 436 F N 0.400 120.355 119.950 0.008 0.000 2.597 436 F HA 0.306 4.832 4.527 -0.001 0.000 0.336 436 F C -1.485 174.324 175.800 0.015 0.000 1.432 436 F CA -1.864 56.138 58.000 0.003 0.000 1.120 436 F CB 1.286 40.285 39.000 -0.002 0.000 1.253 436 F HN -0.141 nan 8.300 nan 0.000 0.546 437 P HA -0.190 nan 4.420 nan 0.000 0.222 437 P C 1.193 178.549 177.300 0.094 0.000 1.147 437 P CA 1.473 64.611 63.100 0.062 0.000 0.790 437 P CB 0.276 31.950 31.700 -0.045 0.000 0.780 438 E N -0.374 119.887 120.200 0.102 0.000 2.076 438 E HA -0.084 4.265 4.350 -0.001 0.000 0.190 438 E C 0.945 177.639 176.600 0.157 0.000 0.979 438 E CA 0.378 56.845 56.400 0.112 0.000 0.807 438 E CB -1.319 28.437 29.700 0.093 0.000 0.761 438 E HN 0.197 nan 8.360 nan 0.000 0.454 439 N N 1.730 120.535 118.700 0.175 0.000 2.475 439 N HA -0.058 4.682 4.740 -0.001 0.000 0.267 439 N C 0.285 175.905 175.510 0.184 0.000 1.169 439 N CA 0.071 53.225 53.050 0.173 0.000 0.947 439 N CB 0.893 39.428 38.487 0.080 0.000 1.061 439 N HN 0.056 nan 8.380 nan 0.000 0.466 440 Q N 3.385 123.332 119.800 0.245 0.000 2.373 440 Q HA 0.122 4.461 4.340 -0.001 0.000 0.206 440 Q C 0.720 176.928 176.000 0.348 0.000 0.942 440 Q CA 0.201 56.203 55.803 0.331 0.000 0.953 440 Q CB 0.269 29.276 28.738 0.448 0.000 1.022 440 Q HN 0.706 nan 8.270 nan 0.000 0.502 441 I N -1.697 118.955 120.570 0.136 0.000 3.534 441 I HA -0.085 4.084 4.170 -0.001 0.000 0.251 441 I C 0.940 177.056 176.117 -0.001 0.000 1.136 441 I CA 0.052 61.376 61.300 0.039 0.000 1.475 441 I CB 0.097 38.040 38.000 -0.095 0.000 1.526 441 I HN -0.004 nan 8.210 nan 0.000 0.454 442 L N 1.680 122.891 121.223 -0.021 0.000 2.610 442 L HA 0.215 4.554 4.340 -0.001 0.000 0.232 442 L C 1.365 178.382 176.870 0.246 0.000 1.149 442 L CA 0.094 54.946 54.840 0.021 0.000 0.872 442 L CB -2.321 39.605 42.059 -0.223 0.000 0.992 442 L HN 0.133 nan 8.230 nan 0.000 0.447 443 A N 0.989 123.929 122.820 0.200 0.000 2.504 443 A HA 0.061 4.380 4.320 -0.001 0.000 0.242 443 A C 0.787 178.475 177.584 0.174 0.000 1.100 443 A CA -0.294 51.865 52.037 0.203 0.000 0.786 443 A CB -0.111 18.997 19.000 0.180 0.000 1.050 443 A HN 0.549 nan 8.150 nan 0.000 0.512 444 R N 0.850 121.438 120.500 0.146 0.000 2.488 444 R HA 0.212 4.551 4.340 -0.001 0.000 0.317 444 R C -2.586 173.777 176.300 0.105 0.000 0.941 444 R CA -0.840 55.335 56.100 0.125 0.000 1.076 444 R CB -0.736 29.636 30.300 0.120 0.000 0.917 444 R HN 0.414 nan 8.270 nan 0.000 0.407 445 P HA 0.131 nan 4.420 nan 0.000 0.271 445 P C -2.329 174.983 177.300 0.020 0.000 1.218 445 P CA -1.448 61.687 63.100 0.060 0.000 0.780 445 P CB 0.221 31.950 31.700 0.049 0.000 0.901 446 P HA 0.196 nan 4.420 nan 0.000 0.274 446 P C -0.690 176.557 177.300 -0.090 0.000 1.246 446 P CA -0.244 62.830 63.100 -0.044 0.000 0.795 446 P CB 0.462 32.127 31.700 -0.058 0.000 1.006 447 A N 1.807 124.560 122.820 -0.112 0.000 2.295 447 A HA 0.673 4.992 4.320 -0.001 0.000 0.318 447 A C -2.342 175.118 177.584 -0.206 0.000 1.134 447 A CA -1.643 50.307 52.037 -0.145 0.000 0.827 447 A CB -0.575 18.351 19.000 -0.123 0.000 1.136 447 A HN 0.376 nan 8.150 nan 0.000 0.493 448 P HA 0.277 nan 4.420 nan 0.000 0.278 448 P C 0.914 178.084 177.300 -0.217 0.000 1.258 448 P CA -0.151 62.778 63.100 -0.286 0.000 0.811 448 P CB 0.784 32.301 31.700 -0.305 0.000 1.063 449 T N -1.180 113.245 114.554 -0.216 0.000 2.867 449 T HA -0.036 4.313 4.350 -0.001 0.000 0.268 449 T C 0.899 175.374 174.700 -0.375 0.000 1.057 449 T CA 1.041 62.910 62.100 -0.384 0.000 1.136 449 T CB -0.818 67.809 68.868 -0.402 0.000 0.874 449 T HN 0.400 nan 8.240 nan 0.000 0.466 450 I N 0.974 121.501 120.570 -0.071 0.000 2.390 450 I HA 0.507 4.677 4.170 -0.001 0.000 0.283 450 I C -0.878 175.265 176.117 0.043 0.000 1.016 450 I CA -0.909 60.412 61.300 0.035 0.000 1.151 450 I CB 1.544 39.594 38.000 0.084 0.000 1.293 450 I HN -0.262 nan 8.210 nan 0.000 0.458 451 T N 4.095 118.681 114.554 0.053 0.000 2.799 451 T HA 0.535 4.884 4.350 -0.001 0.000 0.286 451 T C 0.392 175.135 174.700 0.071 0.000 0.973 451 T CA -0.554 61.573 62.100 0.045 0.000 1.035 451 T CB 1.200 70.089 68.868 0.034 0.000 0.932 451 T HN 0.763 nan 8.240 nan 0.000 0.469 452 T N -0.010 114.535 114.554 -0.015 0.000 2.859 452 T HA 0.719 5.068 4.350 -0.001 0.000 0.281 452 T C -0.439 174.203 174.700 -0.095 0.000 1.005 452 T CA -0.771 61.278 62.100 -0.086 0.000 1.025 452 T CB 1.242 70.037 68.868 -0.121 0.000 0.977 452 T HN 0.323 nan 8.240 nan 0.000 0.458 453 V N 2.966 122.797 119.914 -0.139 0.000 2.577 453 V HA 0.491 4.610 4.120 -0.001 0.000 0.303 453 V C 0.391 176.313 176.094 -0.285 0.000 1.042 453 V CA -0.976 61.189 62.300 -0.225 0.000 0.872 453 V CB 2.212 33.945 31.823 -0.150 0.000 0.998 453 V HN 1.193 nan 8.190 nan 0.000 0.423 454 S N 3.967 119.470 115.700 -0.327 0.000 2.519 454 S HA 0.148 4.617 4.470 -0.001 0.000 0.320 454 S C -0.088 174.405 174.600 -0.178 0.000 1.179 454 S CA -0.135 57.937 58.200 -0.213 0.000 1.173 454 S CB -0.072 63.058 63.200 -0.116 0.000 1.224 454 S HN 0.829 nan 8.310 nan 0.000 0.542 455 E N 4.201 124.327 120.200 -0.123 0.000 2.146 455 E HA 0.137 4.486 4.350 -0.001 0.000 0.282 455 E C -0.382 176.284 176.600 0.110 0.000 0.989 455 E CA -0.634 55.756 56.400 -0.018 0.000 0.799 455 E CB 0.499 30.160 29.700 -0.066 0.000 1.088 455 E HN 0.710 nan 8.360 nan 0.000 0.397 456 N N 2.651 121.431 118.700 0.133 0.000 2.492 456 N HA 0.122 4.862 4.740 -0.001 0.000 0.260 456 N C -0.876 174.767 175.510 0.223 0.000 1.215 456 N CA 0.095 53.246 53.050 0.169 0.000 0.923 456 N CB 1.792 40.361 38.487 0.136 0.000 1.092 456 N HN 0.227 nan 8.380 nan 0.000 0.448 457 V N 3.306 123.350 119.914 0.216 0.000 2.971 457 V HA 0.338 4.457 4.120 -0.001 0.000 0.309 457 V C -2.412 173.723 176.094 0.069 0.000 1.130 457 V CA -1.997 60.377 62.300 0.124 0.000 0.964 457 V CB 2.555 34.410 31.823 0.053 0.000 1.029 457 V HN 0.487 nan 8.190 nan 0.000 0.427 458 P HA 0.316 nan 4.420 nan 0.000 0.267 458 P C -1.104 176.176 177.300 -0.034 0.000 1.209 458 P CA 0.261 63.255 63.100 -0.176 0.000 0.763 458 P CB 0.725 32.243 31.700 -0.303 0.000 0.816 459 A N 4.266 127.113 122.820 0.045 0.000 2.288 459 A HA 0.616 4.936 4.320 -0.001 0.000 0.320 459 A C -0.831 176.808 177.584 0.091 0.000 1.217 459 A CA -0.402 51.676 52.037 0.068 0.000 0.840 459 A CB 0.045 19.114 19.000 0.115 0.000 1.179 459 A HN 0.444 nan 8.150 nan 0.000 0.504 460 L N 1.415 122.670 121.223 0.053 0.000 2.470 460 L HA 0.580 4.919 4.340 -0.001 0.000 0.253 460 L C -0.372 176.513 176.870 0.025 0.000 1.163 460 L CA -0.570 54.297 54.840 0.045 0.000 0.932 460 L CB 0.134 42.202 42.059 0.014 0.000 1.213 460 L HN 0.362 nan 8.230 nan 0.000 0.485 461 T N -1.593 112.987 114.554 0.043 0.000 2.876 461 T HA 0.411 4.760 4.350 -0.001 0.000 0.289 461 T C -0.825 173.836 174.700 -0.066 0.000 1.014 461 T CA -0.536 61.543 62.100 -0.035 0.000 0.986 461 T CB 2.458 71.277 68.868 -0.082 0.000 1.021 461 T HN 0.361 nan 8.240 nan 0.000 0.458 462 D N 0.721 121.054 120.400 -0.111 0.000 2.336 462 D HA 0.120 4.760 4.640 -0.001 0.000 0.249 462 D C 0.303 176.489 176.300 -0.191 0.000 1.213 462 D CA -0.003 53.944 54.000 -0.088 0.000 0.870 462 D CB 0.669 41.432 40.800 -0.061 0.000 1.076 462 D HN 0.563 nan 8.370 nan 0.000 0.483 463 H N 1.902 120.921 119.070 -0.086 0.000 2.551 463 H HA 0.235 4.790 4.556 -0.001 0.000 0.266 463 H C 1.395 176.694 175.328 -0.049 0.000 0.977 463 H CA 0.753 56.760 56.048 -0.069 0.000 1.163 463 H CB 0.379 30.065 29.762 -0.127 0.000 1.381 463 H HN 0.712 nan 8.280 nan 0.000 0.581 464 G N -0.466 108.342 108.800 0.014 0.000 2.548 464 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.208 464 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.208 464 G C -0.468 174.435 174.900 0.005 0.000 1.308 464 G CA -0.381 44.721 45.100 0.003 0.000 0.924 464 G HN 0.213 nan 8.290 nan 0.000 0.540 465 T N 1.037 115.594 114.554 0.005 0.000 2.756 465 T HA 0.624 4.974 4.350 -0.001 0.000 0.290 465 T C 0.204 174.909 174.700 0.010 0.000 0.985 465 T CA -0.072 62.032 62.100 0.007 0.000 0.955 465 T CB 0.947 69.823 68.868 0.013 0.000 0.930 465 T HN 0.583 nan 8.240 nan 0.000 0.451 466 L N 5.862 127.088 121.223 0.004 0.000 2.330 466 L HA 0.542 4.881 4.340 -0.001 0.000 0.271 466 L C -1.987 174.894 176.870 0.017 0.000 1.013 466 L CA -2.458 52.381 54.840 -0.000 0.000 0.816 466 L CB 1.551 43.596 42.059 -0.024 0.000 1.287 466 L HN 0.361 nan 8.230 nan 0.000 0.435 467 P HA 0.123 nan 4.420 nan 0.000 0.271 467 P C -1.192 176.141 177.300 0.054 0.000 1.218 467 P CA -0.272 62.860 63.100 0.054 0.000 0.780 467 P CB 1.123 32.845 31.700 0.038 0.000 0.901 468 L N 2.390 123.677 121.223 0.107 0.000 2.385 468 L HA 0.433 4.772 4.340 -0.001 0.000 0.273 468 L C 0.410 177.343 176.870 0.106 0.000 0.990 468 L CA -0.916 53.972 54.840 0.080 0.000 0.821 468 L CB 1.539 43.652 42.059 0.090 0.000 1.279 468 L HN 0.329 nan 8.230 nan 0.000 0.412 469 R N 2.179 122.706 120.500 0.046 0.000 2.543 469 R HA 0.124 4.464 4.340 -0.001 0.000 0.277 469 R C -0.004 176.309 176.300 0.021 0.000 1.074 469 R CA -0.018 56.109 56.100 0.045 0.000 1.076 469 R CB 0.597 30.901 30.300 0.007 0.000 0.993 469 R HN 0.680 nan 8.270 nan 0.000 0.459 470 N N 0.249 118.973 118.700 0.040 0.000 2.314 470 N HA -0.018 4.721 4.740 -0.001 0.000 0.200 470 N C -1.055 174.434 175.510 -0.034 0.000 1.135 470 N CA 0.119 53.178 53.050 0.015 0.000 0.835 470 N CB 0.762 39.301 38.487 0.087 0.000 0.989 470 N HN 0.477 nan 8.380 nan 0.000 0.478 471 S N 0.108 115.788 115.700 -0.033 0.000 2.620 471 S HA 0.418 4.887 4.470 -0.001 0.000 0.244 471 S C -0.755 173.819 174.600 -0.043 0.000 1.192 471 S CA -0.893 57.284 58.200 -0.037 0.000 1.148 471 S CB -0.056 63.132 63.200 -0.020 0.000 1.106 471 S HN 0.068 nan 8.310 nan 0.000 0.474 472 I N 2.707 123.243 120.570 -0.057 0.000 2.307 472 I HA 0.486 4.656 4.170 -0.001 0.000 0.289 472 I C 1.093 177.183 176.117 -0.044 0.000 1.021 472 I CA -0.815 60.449 61.300 -0.060 0.000 1.224 472 I CB 0.851 38.799 38.000 -0.086 0.000 1.376 472 I HN 0.796 nan 8.210 nan 0.000 0.470 473 G N 3.665 112.441 108.800 -0.041 0.000 2.484 473 G HA2 0.199 4.158 3.960 -0.001 0.000 0.235 473 G HA3 0.199 4.158 3.960 -0.001 0.000 0.235 473 G C 0.974 175.857 174.900 -0.028 0.000 1.282 473 G CA -0.324 44.759 45.100 -0.029 0.000 0.857 473 G HN 0.919 nan 8.290 nan 0.000 0.571 474 G N -0.661 108.132 108.800 -0.013 0.000 3.234 474 G HA2 0.315 4.275 3.960 -0.001 0.000 0.221 474 G HA3 0.315 4.275 3.960 -0.001 0.000 0.221 474 G C 0.332 175.228 174.900 -0.007 0.000 1.229 474 G CA 0.702 45.795 45.100 -0.012 0.000 0.909 474 G HN 1.335 nan 8.290 nan 0.000 0.510 475 V N -2.771 117.133 119.914 -0.017 0.000 2.666 475 V HA 0.350 4.470 4.120 -0.001 0.000 0.261 475 V C -0.662 175.406 176.094 -0.043 0.000 0.892 475 V CA -1.280 61.011 62.300 -0.015 0.000 0.937 475 V CB 0.412 32.235 31.823 -0.001 0.000 1.063 475 V HN -0.009 nan 8.190 nan 0.000 0.494 476 Q N 2.168 121.932 119.800 -0.059 0.000 2.299 476 Q HA 0.480 4.820 4.340 -0.001 0.000 0.246 476 Q C -0.210 175.701 176.000 -0.148 0.000 0.935 476 Q CA -0.064 55.677 55.803 -0.103 0.000 0.887 476 Q CB 2.324 31.001 28.738 -0.102 0.000 1.223 476 Q HN 0.776 nan 8.270 nan 0.000 0.439 477 R N 1.028 121.412 120.500 -0.193 0.000 2.295 477 R HA 0.488 4.828 4.340 -0.001 0.000 0.324 477 R C -1.238 174.883 176.300 -0.298 0.000 0.968 477 R CA -0.388 55.570 56.100 -0.236 0.000 0.837 477 R CB 0.909 31.090 30.300 -0.198 0.000 1.133 477 R HN 0.322 nan 8.270 nan 0.000 0.450 478 V N 3.608 123.238 119.914 -0.474 0.000 2.459 478 V HA 0.466 4.585 4.120 -0.001 0.000 0.295 478 V C -0.407 175.534 176.094 -0.254 0.000 1.029 478 V CA -0.474 61.557 62.300 -0.448 0.000 0.874 478 V CB 2.002 33.338 31.823 -0.811 0.000 0.985 478 V HN 0.834 nan 8.190 nan 0.000 0.438 479 T N 5.862 120.384 114.554 -0.053 0.000 3.031 479 T HA 0.455 4.804 4.350 -0.001 0.000 0.305 479 T C -0.624 174.066 174.700 -0.017 0.000 0.985 479 T CA -0.285 61.838 62.100 0.039 0.000 1.008 479 T CB 0.890 69.874 68.868 0.193 0.000 1.005 479 T HN 0.322 nan 8.240 nan 0.000 0.444 480 I N 4.697 125.212 120.570 -0.092 0.000 2.282 480 I HA 0.234 4.403 4.170 -0.001 0.000 0.290 480 I C 1.414 177.514 176.117 -0.028 0.000 1.090 480 I CA -0.533 60.646 61.300 -0.202 0.000 1.231 480 I CB -0.302 37.529 38.000 -0.282 0.000 1.434 480 I HN 0.672 nan 8.210 nan 0.000 0.487 481 T N 2.465 117.057 114.554 0.064 0.000 2.847 481 T HA 0.404 4.754 4.350 -0.001 0.000 0.279 481 T C 0.089 174.888 174.700 0.164 0.000 0.984 481 T CA -0.690 61.496 62.100 0.144 0.000 0.988 481 T CB 2.000 71.005 68.868 0.228 0.000 1.040 481 T HN 0.579 nan 8.240 nan 0.000 0.528 482 D N 0.001 120.505 120.400 0.175 0.000 2.564 482 D HA 0.369 5.009 4.640 -0.001 0.000 0.273 482 D C 1.336 177.637 176.300 0.001 0.000 1.192 482 D CA -0.527 53.527 54.000 0.089 0.000 1.080 482 D CB 0.915 41.851 40.800 0.227 0.000 1.160 482 D HN 0.655 nan 8.370 nan 0.000 0.607 483 A N -0.731 122.004 122.820 -0.142 0.000 2.216 483 A HA -0.071 4.248 4.320 -0.001 0.000 0.214 483 A C 1.507 179.116 177.584 0.041 0.000 1.160 483 A CA 0.664 52.609 52.037 -0.152 0.000 0.725 483 A CB -0.532 18.361 19.000 -0.179 0.000 0.784 483 A HN 0.488 nan 8.150 nan 0.000 0.472 484 R N -1.570 118.978 120.500 0.081 0.000 2.662 484 R HA 0.289 4.628 4.340 -0.001 0.000 0.396 484 R C -0.231 176.149 176.300 0.133 0.000 1.096 484 R CA -0.479 55.682 56.100 0.102 0.000 1.081 484 R CB 0.215 30.555 30.300 0.067 0.000 1.382 484 R HN 0.348 nan 8.270 nan 0.000 0.580 485 R N 1.890 122.506 120.500 0.193 0.000 3.184 485 R HA -0.205 4.134 4.340 -0.001 0.000 0.242 485 R C -0.648 175.706 176.300 0.090 0.000 0.907 485 R CA 0.863 57.066 56.100 0.172 0.000 0.618 485 R CB -0.759 29.630 30.300 0.148 0.000 1.016 485 R HN 0.180 nan 8.270 nan 0.000 0.469 486 R N -0.444 120.119 120.500 0.105 0.000 2.803 486 R HA 0.274 4.613 4.340 -0.001 0.000 0.276 486 R C 0.267 176.561 176.300 -0.011 0.000 0.978 486 R CA -0.550 55.565 56.100 0.025 0.000 0.939 486 R CB 1.583 31.899 30.300 0.028 0.000 1.179 486 R HN 0.191 nan 8.270 nan 0.000 0.472 487 T N -1.146 113.346 114.554 -0.104 0.000 2.930 487 T HA 0.022 4.371 4.350 -0.001 0.000 0.306 487 T C 0.222 174.793 174.700 -0.215 0.000 1.045 487 T CA -0.279 61.758 62.100 -0.105 0.000 1.134 487 T CB 0.331 69.144 68.868 -0.092 0.000 0.961 487 T HN 0.580 nan 8.240 nan 0.000 0.545 488 C N 8.178 127.439 119.300 -0.064 0.000 2.265 488 C HA 0.615 5.074 4.460 -0.001 0.000 0.332 488 C C -1.765 173.219 174.990 -0.011 0.000 1.248 488 C CA -1.881 57.150 59.018 0.022 0.000 1.727 488 C CB 0.239 28.104 27.740 0.208 0.000 2.348 488 C HN 0.823 nan 8.230 nan 0.000 0.519 489 P HA 0.203 nan 4.420 nan 0.000 0.243 489 P C -0.445 176.679 177.300 -0.294 0.000 1.672 489 P CA 0.368 63.329 63.100 -0.233 0.000 1.000 489 P CB -0.484 30.991 31.700 -0.375 0.000 1.562 490 Y N -1.442 118.871 120.300 0.021 0.000 2.500 490 Y HA 0.158 4.707 4.550 -0.001 0.000 0.246 490 Y C 0.862 176.816 175.900 0.090 0.000 1.146 490 Y CA -0.287 57.848 58.100 0.057 0.000 1.230 490 Y CB 0.921 39.434 38.460 0.088 0.000 1.214 490 Y HN -0.283 nan 8.280 nan 0.000 0.526 491 V N 1.456 121.491 119.914 0.203 0.000 2.356 491 V HA -0.029 4.091 4.120 -0.001 0.000 0.258 491 V C 0.400 176.590 176.094 0.160 0.000 1.065 491 V CA 0.193 62.588 62.300 0.159 0.000 0.935 491 V CB -0.358 31.538 31.823 0.121 0.000 1.061 491 V HN 0.414 nan 8.190 nan 0.000 0.484 492 Y N 2.814 123.021 120.300 -0.156 0.000 2.397 492 Y HA 0.155 4.705 4.550 -0.001 0.000 0.292 492 Y C 1.498 176.873 175.900 -0.875 0.000 1.115 492 Y CA 0.518 58.377 58.100 -0.401 0.000 1.208 492 Y CB 0.684 39.000 38.460 -0.240 0.000 1.046 492 Y HN 0.438 nan 8.280 nan 0.000 0.552 493 K N 0.736 120.967 120.400 -0.281 0.000 2.579 493 K HA 0.620 4.939 4.320 -0.001 0.000 0.250 493 K C -1.514 175.120 176.600 0.057 0.000 0.952 493 K CA -0.440 55.731 56.287 -0.193 0.000 0.857 493 K CB 1.171 33.646 32.500 -0.041 0.000 1.123 493 K HN 0.004 nan 8.250 nan 0.000 0.433 494 A N 3.859 126.765 122.820 0.142 0.000 2.350 494 A HA 0.881 5.201 4.320 -0.001 0.000 0.324 494 A C -1.666 176.174 177.584 0.428 0.000 1.118 494 A CA -0.619 51.638 52.037 0.366 0.000 0.783 494 A CB 0.949 20.213 19.000 0.441 0.000 1.236 494 A HN 0.572 nan 8.150 nan 0.000 0.457 495 L N 0.414 121.937 121.223 0.501 0.000 2.469 495 L HA 0.844 5.184 4.340 -0.001 0.000 0.256 495 L C -0.009 177.016 176.870 0.259 0.000 1.006 495 L CA 0.150 55.201 54.840 0.352 0.000 0.832 495 L CB 2.351 44.540 42.059 0.218 0.000 1.421 495 L HN 1.058 nan 8.230 nan 0.000 0.410 496 G N 2.321 111.234 108.800 0.188 0.000 2.741 496 G HA2 0.654 4.614 3.960 -0.001 0.000 0.293 496 G HA3 0.654 4.614 3.960 -0.001 0.000 0.293 496 G C -1.799 173.146 174.900 0.076 0.000 1.457 496 G CA -0.203 44.932 45.100 0.059 0.000 1.098 496 G HN 0.428 nan 8.290 nan 0.000 0.536 497 I N 2.318 122.888 120.570 0.001 0.000 2.410 497 I HA 0.381 4.550 4.170 -0.001 0.000 0.286 497 I C -0.452 175.599 176.117 -0.111 0.000 1.009 497 I CA -0.867 60.419 61.300 -0.023 0.000 1.111 497 I CB 2.179 40.194 38.000 0.025 0.000 1.262 497 I HN 0.135 nan 8.210 nan 0.000 0.443 498 V N 5.026 124.837 119.914 -0.171 0.000 2.513 498 V HA 0.432 4.551 4.120 -0.001 0.000 0.299 498 V C -0.192 175.787 176.094 -0.192 0.000 1.035 498 V CA -0.484 61.718 62.300 -0.163 0.000 0.889 498 V CB 1.991 33.727 31.823 -0.146 0.000 0.988 498 V HN 0.741 nan 8.190 nan 0.000 0.440 499 S N 6.177 121.799 115.700 -0.131 0.000 2.406 499 S HA 0.386 4.855 4.470 -0.001 0.000 0.224 499 S C -2.681 171.881 174.600 -0.064 0.000 1.426 499 S CA -1.150 56.984 58.200 -0.110 0.000 1.179 499 S CB 0.843 63.999 63.200 -0.073 0.000 1.042 499 S HN 0.592 nan 8.310 nan 0.000 0.479 500 P HA 0.278 nan 4.420 nan 0.000 0.271 500 P C -0.454 176.903 177.300 0.094 0.000 1.216 500 P CA -0.253 62.818 63.100 -0.048 0.000 0.776 500 P CB 0.532 32.076 31.700 -0.260 0.000 0.881 501 R N 0.460 121.159 120.500 0.332 0.000 2.663 501 R HA 0.563 4.902 4.340 -0.001 0.000 0.267 501 R C -0.587 175.949 176.300 0.393 0.000 1.038 501 R CA -1.208 55.138 56.100 0.410 0.000 0.886 501 R CB 0.449 30.853 30.300 0.173 0.000 1.249 501 R HN 0.140 nan 8.270 nan 0.000 0.463 502 V N 0.477 120.436 119.914 0.075 0.000 3.051 502 V HA 0.178 4.298 4.120 -0.001 0.000 0.306 502 V C 0.369 176.365 176.094 -0.163 0.000 1.083 502 V CA -0.557 61.540 62.300 -0.339 0.000 1.104 502 V CB 0.625 32.207 31.823 -0.403 0.000 1.027 502 V HN 0.677 nan 8.190 nan 0.000 0.483 503 L N 1.004 122.102 121.223 -0.208 0.000 3.195 503 L HA 0.279 4.618 4.340 -0.001 0.000 0.290 503 L C 0.953 177.774 176.870 -0.082 0.000 1.092 503 L CA 1.330 56.116 54.840 -0.090 0.000 1.094 503 L CB 0.068 42.117 42.059 -0.016 0.000 1.743 503 L HN 1.097 nan 8.230 nan 0.000 0.579 504 S N -2.439 113.189 115.700 -0.120 0.000 4.078 504 S HA 0.753 5.223 4.470 -0.001 0.000 0.290 504 S C -0.101 174.433 174.600 -0.110 0.000 1.069 504 S CA -0.161 57.994 58.200 -0.074 0.000 1.246 504 S CB 2.469 65.674 63.200 0.008 0.000 1.659 504 S HN -0.062 nan 8.310 nan 0.000 0.624 505 S N -0.721 114.946 115.700 -0.054 0.000 3.003 505 S HA 0.574 5.043 4.470 -0.001 0.000 0.313 505 S C -1.551 173.050 174.600 0.001 0.000 1.230 505 S CA -0.891 57.270 58.200 -0.065 0.000 0.977 505 S CB 1.102 64.264 63.200 -0.062 0.000 1.340 505 S HN 0.590 nan 8.310 nan 0.000 0.608 506 R N 1.362 121.858 120.500 -0.006 0.000 2.664 506 R HA 0.637 4.976 4.340 -0.001 0.000 0.281 506 R C -0.225 176.085 176.300 0.016 0.000 1.383 506 R CA 0.146 56.264 56.100 0.031 0.000 1.563 506 R CB 0.571 30.891 30.300 0.032 0.000 1.131 506 R HN 0.842 nan 8.270 nan 0.000 0.599 507 T N 0.000 114.561 114.554 0.012 0.000 3.816 507 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 507 T CA 0.000 nan 62.100 nan 0.000 1.349 507 T CB 0.000 nan 68.868 nan 0.000 0.612 507 T HN 0.000 nan 8.240 nan 0.000 0.658