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 1lc5_1_A DATA FIRST_RESID 3 DATA SEQUENCE LFNTAHGGNI REPATVLGIS PDQLLDFSAN INPLGMPVSV KRALIDNLDC DATA SEQUENCE IERYPDADYF HLHQALARHH QVPASWILAG NGETESIFTV ASGLKPRRAM DATA SEQUENCE IVTPGFAEYG RALAQSGCEI RRWSLREADG WQLTDAILEA LTPDLDCLFL DATA SEQUENCE CTPNNPTGLL PERPLLQAIA DRCKSLNINL ILDEAFIDFI PHETGFIPAL DATA SEQUENCE KDNPHIWVLR SLTKFYAIPG LRLGYLVNSD DAAMARMRRQ QMPWSVNALA DATA SEQUENCE ALAGEVALQD SAWQQATWHW LREEGARFYQ ALCQLPLLTV YPGRANYLLL DATA SEQUENCE RCEREDIDLQ RRLLTQRILI RSCANYPGLD SRYYRVAIRS AAQNERLLAA DATA SEQUENCE LRNVL 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.552 176.870 -0.530 0.000 1.165 3 L CA 0.000 54.565 54.840 -0.458 0.000 0.813 3 L CB 0.000 41.624 42.059 -0.725 0.000 0.961 4 F N -0.587 119.380 119.950 0.028 0.000 2.593 4 F HA 0.450 4.978 4.527 0.002 0.000 0.320 4 F C 0.919 176.718 175.800 -0.002 0.000 1.060 4 F CA 0.051 58.061 58.000 0.017 0.000 0.940 4 F CB 1.580 40.596 39.000 0.026 0.000 1.268 4 F HN -0.066 nan 8.300 nan 0.000 0.475 5 N N -0.704 118.121 118.700 0.208 0.000 2.177 5 N HA 0.076 4.816 4.740 0.001 0.000 0.218 5 N C 0.288 175.815 175.510 0.028 0.000 1.182 5 N CA 0.278 53.375 53.050 0.079 0.000 0.882 5 N CB 0.397 38.911 38.487 0.046 0.000 1.052 5 N HN 0.589 nan 8.380 nan 0.000 0.519 6 T N -0.576 114.004 114.554 0.044 0.000 2.940 6 T HA 0.432 4.782 4.350 0.001 0.000 0.309 6 T C 1.575 176.207 174.700 -0.112 0.000 1.056 6 T CA 0.461 62.537 62.100 -0.040 0.000 1.137 6 T CB 0.702 69.527 68.868 -0.072 0.000 0.976 6 T HN 0.492 nan 8.240 nan 0.000 0.547 7 A N 4.556 127.253 122.820 -0.205 0.000 1.929 7 A HA 0.139 4.459 4.320 0.001 0.000 0.216 7 A C 1.033 178.221 177.584 -0.660 0.000 1.176 7 A CA 0.944 52.701 52.037 -0.466 0.000 0.628 7 A CB -0.286 18.371 19.000 -0.573 0.000 0.816 7 A HN 0.916 nan 8.150 nan 0.000 0.444 8 H N -2.222 116.817 119.070 -0.052 0.000 2.894 8 H HA 0.485 5.041 4.556 0.001 0.000 0.368 8 H C 0.598 175.936 175.328 0.017 0.000 1.181 8 H CA -0.442 55.607 56.048 0.001 0.000 1.146 8 H CB 0.857 30.650 29.762 0.052 0.000 1.839 8 H HN 0.267 nan 8.280 nan 0.000 0.557 9 G N -0.972 107.952 108.800 0.207 0.000 2.683 9 G HA2 0.343 4.304 3.960 0.001 0.000 0.260 9 G HA3 0.343 4.304 3.960 0.001 0.000 0.260 9 G C 0.755 175.708 174.900 0.089 0.000 1.238 9 G CA 0.239 45.416 45.100 0.128 0.000 0.934 9 G HN 0.945 nan 8.290 nan 0.000 0.534 10 G N -0.683 108.149 108.800 0.055 0.000 2.141 10 G HA2 -0.296 3.664 3.960 0.001 0.000 0.242 10 G HA3 -0.296 3.664 3.960 0.001 0.000 0.242 10 G C 0.629 175.520 174.900 -0.016 0.000 0.982 10 G CA 0.546 45.664 45.100 0.030 0.000 0.662 10 G HN 1.338 nan 8.290 nan 0.000 0.527 11 N N 1.338 119.994 118.700 -0.074 0.000 3.243 11 N HA 0.187 4.927 4.740 0.001 0.000 0.310 11 N C 1.761 177.169 175.510 -0.171 0.000 1.313 11 N CA 0.154 53.111 53.050 -0.155 0.000 1.204 11 N CB -0.597 37.715 38.487 -0.292 0.000 1.483 11 N HN 0.798 nan 8.380 nan 0.000 0.553 12 I N -3.008 117.516 120.570 -0.077 0.000 2.394 12 I HA -0.119 4.051 4.170 0.001 0.000 0.251 12 I C 2.330 178.424 176.117 -0.038 0.000 1.136 12 I CA 0.502 61.776 61.300 -0.043 0.000 1.425 12 I CB -0.148 37.848 38.000 -0.006 0.000 1.079 12 I HN 0.099 nan 8.210 nan 0.000 0.425 13 R N 1.479 121.954 120.500 -0.042 0.000 2.066 13 R HA -0.196 4.144 4.340 0.001 0.000 0.232 13 R C 2.267 178.554 176.300 -0.023 0.000 1.131 13 R CA 2.101 58.188 56.100 -0.022 0.000 0.955 13 R CB -0.347 29.942 30.300 -0.018 0.000 0.851 13 R HN 0.599 nan 8.270 nan 0.000 0.432 14 E N -0.402 119.755 120.200 -0.072 0.000 2.077 14 E HA -0.108 4.243 4.350 0.001 0.000 0.193 14 E C -0.873 175.740 176.600 0.021 0.000 0.989 14 E CA 1.224 57.590 56.400 -0.056 0.000 0.800 14 E CB -0.556 29.035 29.700 -0.181 0.000 0.746 14 E HN 0.323 nan 8.360 nan 0.000 0.452 15 P HA -0.007 nan 4.420 nan 0.000 0.216 15 P C 1.487 178.879 177.300 0.153 0.000 1.153 15 P CA 2.349 65.537 63.100 0.146 0.000 0.844 15 P CB -0.331 31.412 31.700 0.072 0.000 0.787 16 A N -0.106 122.760 122.820 0.076 0.000 1.933 16 A HA -0.137 4.184 4.320 0.001 0.000 0.218 16 A C 2.560 180.187 177.584 0.072 0.000 1.175 16 A CA 2.942 55.019 52.037 0.067 0.000 0.628 16 A CB -1.703 17.322 19.000 0.041 0.000 0.814 16 A HN 0.432 nan 8.150 nan 0.000 0.444 17 T N -2.752 111.847 114.554 0.075 0.000 2.867 17 T HA -0.088 4.263 4.350 0.001 0.000 0.268 17 T C 1.654 176.406 174.700 0.086 0.000 1.057 17 T CA 1.469 63.612 62.100 0.071 0.000 1.136 17 T CB -0.667 68.241 68.868 0.066 0.000 0.874 17 T HN 0.068 nan 8.240 nan 0.000 0.466 18 V N 1.329 121.320 119.914 0.128 0.000 2.427 18 V HA 0.030 4.150 4.120 0.001 0.000 0.248 18 V C 2.674 178.814 176.094 0.076 0.000 1.051 18 V CA 1.383 63.751 62.300 0.113 0.000 1.048 18 V CB -0.575 31.343 31.823 0.158 0.000 0.666 18 V HN 0.477 nan 8.190 nan 0.000 0.456 19 L N -0.044 121.229 121.223 0.083 0.000 2.341 19 L HA 0.247 4.588 4.340 0.001 0.000 0.214 19 L C 1.706 178.603 176.870 0.046 0.000 1.115 19 L CA 0.938 55.814 54.840 0.060 0.000 0.820 19 L CB -0.444 41.654 42.059 0.066 0.000 0.944 19 L HN 0.566 nan 8.230 nan 0.000 0.452 20 G N 1.475 110.303 108.800 0.047 0.000 2.160 20 G HA2 -0.259 3.702 3.960 0.001 0.000 0.244 20 G HA3 -0.259 3.702 3.960 0.001 0.000 0.244 20 G C 0.138 175.058 174.900 0.033 0.000 1.022 20 G CA 0.577 45.699 45.100 0.036 0.000 0.741 20 G HN 0.459 nan 8.290 nan 0.000 0.508 21 I N -3.520 117.072 120.570 0.037 0.000 3.436 21 I HA 0.901 5.071 4.170 0.001 0.000 0.300 21 I C 0.366 176.501 176.117 0.030 0.000 1.131 21 I CA -1.048 60.271 61.300 0.032 0.000 1.001 21 I CB 1.664 39.685 38.000 0.035 0.000 1.305 21 I HN 0.113 nan 8.210 nan 0.000 0.494 22 S N 0.817 116.532 115.700 0.026 0.000 2.545 22 S HA 0.413 4.883 4.470 0.001 0.000 0.275 22 S C -1.754 172.860 174.600 0.024 0.000 1.299 22 S CA -1.314 56.899 58.200 0.022 0.000 1.048 22 S CB 0.925 64.135 63.200 0.018 0.000 0.938 22 S HN 0.508 nan 8.310 nan 0.000 0.496 23 P HA -0.107 nan 4.420 nan 0.000 0.219 23 P C 0.609 177.920 177.300 0.019 0.000 1.146 23 P CA 0.989 64.101 63.100 0.019 0.000 0.808 23 P CB -0.060 31.646 31.700 0.010 0.000 0.779 24 D N -1.034 119.376 120.400 0.016 0.000 2.363 24 D HA -0.134 4.507 4.640 0.001 0.000 0.226 24 D C 1.415 177.726 176.300 0.020 0.000 1.020 24 D CA 0.727 54.735 54.000 0.014 0.000 0.892 24 D CB -0.946 39.859 40.800 0.009 0.000 0.900 24 D HN 0.259 nan 8.370 nan 0.000 0.531 25 Q N -0.269 119.546 119.800 0.026 0.000 2.392 25 Q HA 0.233 4.574 4.340 0.001 0.000 0.203 25 Q C 0.394 176.421 176.000 0.044 0.000 0.917 25 Q CA -0.037 55.785 55.803 0.032 0.000 0.939 25 Q CB 0.735 29.492 28.738 0.031 0.000 1.063 25 Q HN 0.337 nan 8.270 nan 0.000 0.516 26 L N 1.433 122.685 121.223 0.048 0.000 2.350 26 L HA 0.230 4.570 4.340 0.001 0.000 0.275 26 L C -0.410 176.504 176.870 0.073 0.000 1.099 26 L CA -0.795 54.085 54.840 0.067 0.000 0.808 26 L CB 0.696 42.796 42.059 0.069 0.000 1.149 26 L HN 0.079 nan 8.230 nan 0.000 0.442 27 L N 3.008 124.298 121.223 0.112 0.000 2.264 27 L HA 0.327 4.667 4.340 0.001 0.000 0.287 27 L C -0.510 176.475 176.870 0.191 0.000 1.039 27 L CA -0.047 54.875 54.840 0.137 0.000 0.829 27 L CB 0.742 42.925 42.059 0.207 0.000 1.211 27 L HN 0.388 nan 8.230 nan 0.000 0.427 28 D N 3.894 124.340 120.400 0.077 0.000 2.347 28 D HA 0.155 4.795 4.640 0.001 0.000 0.235 28 D C -0.068 176.233 176.300 0.002 0.000 1.149 28 D CA 0.145 54.196 54.000 0.086 0.000 0.850 28 D CB 0.428 41.248 40.800 0.033 0.000 1.061 28 D HN 0.451 nan 8.370 nan 0.000 0.487 29 F N 1.294 121.303 119.950 0.099 0.000 2.647 29 F HA 0.073 4.601 4.527 0.001 0.000 0.300 29 F C 2.051 177.936 175.800 0.141 0.000 1.106 29 F CA -0.136 57.941 58.000 0.129 0.000 1.313 29 F CB 0.416 39.509 39.000 0.154 0.000 1.007 29 F HN 0.348 nan 8.300 nan 0.000 0.536 30 S N -0.899 114.939 115.700 0.230 0.000 2.524 30 S HA 0.558 5.029 4.470 0.001 0.000 0.215 30 S C 0.653 175.339 174.600 0.143 0.000 0.986 30 S CA 0.071 58.388 58.200 0.195 0.000 0.911 30 S CB 0.132 63.433 63.200 0.168 0.000 0.805 30 S HN 0.037 nan 8.310 nan 0.000 0.501 31 A N 1.576 124.463 122.820 0.111 0.000 2.365 31 A HA 0.729 5.050 4.320 0.001 0.000 0.318 31 A C -0.777 176.871 177.584 0.107 0.000 1.091 31 A CA -0.914 51.183 52.037 0.101 0.000 0.763 31 A CB 0.865 19.910 19.000 0.076 0.000 1.248 31 A HN 0.290 nan 8.150 nan 0.000 0.442 32 N N 2.455 121.247 118.700 0.154 0.000 3.091 32 N HA 0.288 5.028 4.740 0.001 0.000 0.255 32 N C -0.940 174.733 175.510 0.271 0.000 1.204 32 N CA -0.057 53.120 53.050 0.212 0.000 0.990 32 N CB 0.632 39.261 38.487 0.237 0.000 1.260 32 N HN 0.442 nan 8.380 nan 0.000 0.502 33 I N 0.859 121.530 120.570 0.168 0.000 2.412 33 I HA 0.190 4.361 4.170 0.001 0.000 0.296 33 I C 0.829 177.027 176.117 0.136 0.000 0.987 33 I CA -0.929 60.477 61.300 0.177 0.000 1.180 33 I CB 1.076 39.135 38.000 0.098 0.000 1.340 33 I HN 0.203 nan 8.210 nan 0.000 0.455 34 N N 8.600 127.431 118.700 0.218 0.000 2.294 34 N HA -0.046 4.695 4.740 0.001 0.000 0.263 34 N C -1.670 173.745 175.510 -0.158 0.000 1.281 34 N CA -0.448 52.623 53.050 0.036 0.000 0.846 34 N CB 0.937 39.473 38.487 0.081 0.000 1.061 34 N HN 0.382 nan 8.380 nan 0.000 0.478 35 P HA 0.034 nan 4.420 nan 0.000 0.255 35 P C 0.933 177.999 177.300 -0.389 0.000 1.248 35 P CA 0.410 63.279 63.100 -0.385 0.000 0.807 35 P CB 0.259 31.691 31.700 -0.447 0.000 1.150 36 L N -1.156 119.767 121.223 -0.501 0.000 2.650 36 L HA 0.182 4.522 4.340 0.001 0.000 0.235 36 L C 1.594 178.431 176.870 -0.056 0.000 1.149 36 L CA 0.614 55.189 54.840 -0.442 0.000 0.887 36 L CB -1.015 40.521 42.059 -0.873 0.000 1.021 36 L HN 0.162 nan 8.230 nan 0.000 0.441 37 G N 0.330 109.186 108.800 0.093 0.000 2.846 37 G HA2 -0.237 3.723 3.960 0.001 0.000 0.225 37 G HA3 -0.237 3.723 3.960 0.001 0.000 0.225 37 G C -0.515 174.505 174.900 0.200 0.000 1.285 37 G CA -0.011 45.174 45.100 0.141 0.000 1.055 37 G HN 0.066 nan 8.290 nan 0.000 0.579 38 M N 1.429 121.089 119.600 0.101 0.000 2.378 38 M HA 0.563 5.043 4.480 0.001 0.000 0.289 38 M C -2.861 173.173 176.300 -0.443 0.000 1.136 38 M CA -1.734 53.420 55.300 -0.244 0.000 0.917 38 M CB 2.285 34.797 32.600 -0.146 0.000 1.669 38 M HN 0.312 nan 8.290 nan 0.000 0.461 39 P HA 0.029 nan 4.420 nan 0.000 0.266 39 P C 0.506 177.658 177.300 -0.247 0.000 1.195 39 P CA -0.337 62.344 63.100 -0.697 0.000 0.768 39 P CB 0.669 31.854 31.700 -0.859 0.000 0.838 40 V N 2.303 122.173 119.914 -0.073 0.000 2.407 40 V HA -0.240 3.880 4.120 0.001 0.000 0.248 40 V C 2.266 178.317 176.094 -0.071 0.000 1.055 40 V CA 2.551 64.825 62.300 -0.043 0.000 1.049 40 V CB -1.359 30.470 31.823 0.009 0.000 0.662 40 V HN 0.705 nan 8.190 nan 0.000 0.455 41 S N -0.140 115.508 115.700 -0.087 0.000 2.399 41 S HA -0.155 4.315 4.470 0.001 0.000 0.231 41 S C 1.894 176.421 174.600 -0.123 0.000 1.022 41 S CA 1.651 59.795 58.200 -0.095 0.000 0.983 41 S CB -0.506 62.632 63.200 -0.103 0.000 0.803 41 S HN 0.346 nan 8.310 nan 0.000 0.480 42 V N 2.137 121.950 119.914 -0.169 0.000 2.346 42 V HA -0.037 4.084 4.120 0.001 0.000 0.244 42 V C 2.736 178.758 176.094 -0.121 0.000 1.037 42 V CA 1.864 64.065 62.300 -0.165 0.000 1.029 42 V CB -0.713 30.977 31.823 -0.220 0.000 0.663 42 V HN 0.516 nan 8.190 nan 0.000 0.454 43 K N 0.512 120.842 120.400 -0.116 0.000 2.032 43 K HA -0.249 4.072 4.320 0.001 0.000 0.209 43 K C 2.481 179.044 176.600 -0.062 0.000 1.048 43 K CA 2.169 58.407 56.287 -0.082 0.000 0.927 43 K CB -0.210 32.248 32.500 -0.070 0.000 0.712 43 K HN 0.402 nan 8.250 nan 0.000 0.441 44 R N 0.507 120.972 120.500 -0.058 0.000 2.070 44 R HA -0.054 4.286 4.340 0.001 0.000 0.233 44 R C 2.409 178.681 176.300 -0.046 0.000 1.137 44 R CA 1.903 57.976 56.100 -0.045 0.000 0.945 44 R CB -1.703 28.573 30.300 -0.040 0.000 0.845 44 R HN 0.506 nan 8.270 nan 0.000 0.430 45 A N 0.643 123.429 122.820 -0.056 0.000 1.883 45 A HA -0.006 4.315 4.320 0.001 0.000 0.217 45 A C 2.430 179.986 177.584 -0.047 0.000 1.186 45 A CA 1.717 53.723 52.037 -0.053 0.000 0.624 45 A CB -0.435 18.525 19.000 -0.066 0.000 0.822 45 A HN 0.400 nan 8.150 nan 0.000 0.444 46 L N -0.189 121.002 121.223 -0.053 0.000 2.017 46 L HA -0.155 4.185 4.340 0.001 0.000 0.208 46 L C 2.403 179.250 176.870 -0.038 0.000 1.073 46 L CA 1.328 56.141 54.840 -0.045 0.000 0.745 46 L CB -0.640 41.388 42.059 -0.051 0.000 0.894 46 L HN 0.328 nan 8.230 nan 0.000 0.432 47 I N -0.327 120.220 120.570 -0.038 0.000 2.179 47 I HA -0.251 3.919 4.170 0.001 0.000 0.242 47 I C 1.740 177.840 176.117 -0.028 0.000 1.088 47 I CA 1.355 62.636 61.300 -0.032 0.000 1.357 47 I CB -1.093 36.889 38.000 -0.030 0.000 1.051 47 I HN 0.293 nan 8.210 nan 0.000 0.409 48 D N 0.621 121.004 120.400 -0.028 0.000 2.363 48 D HA -0.045 4.596 4.640 0.001 0.000 0.220 48 D C 0.943 177.230 176.300 -0.022 0.000 0.994 48 D CA 0.578 54.564 54.000 -0.024 0.000 0.890 48 D CB -0.093 40.693 40.800 -0.024 0.000 0.906 48 D HN 0.424 nan 8.370 nan 0.000 0.530 49 N N 0.237 118.923 118.700 -0.025 0.000 2.305 49 N HA 0.024 4.764 4.740 0.001 0.000 0.248 49 N C 1.274 176.770 175.510 -0.024 0.000 1.290 49 N CA -0.124 52.913 53.050 -0.021 0.000 0.873 49 N CB 1.110 39.586 38.487 -0.019 0.000 1.261 49 N HN 0.009 nan 8.380 nan 0.000 0.504 50 L N 1.618 122.825 121.223 -0.027 0.000 2.129 50 L HA -0.140 4.200 4.340 0.001 0.000 0.212 50 L C 1.283 178.133 176.870 -0.033 0.000 1.087 50 L CA 1.885 56.707 54.840 -0.030 0.000 0.757 50 L CB -0.199 41.842 42.059 -0.030 0.000 0.896 50 L HN 0.035 nan 8.230 nan 0.000 0.434 51 D N -1.239 119.143 120.400 -0.030 0.000 2.351 51 D HA -0.153 4.488 4.640 0.001 0.000 0.216 51 D C 2.318 178.595 176.300 -0.038 0.000 0.968 51 D CA 1.250 55.229 54.000 -0.034 0.000 0.899 51 D CB -0.497 40.286 40.800 -0.028 0.000 0.907 51 D HN 0.673 nan 8.370 nan 0.000 0.514 52 C N 0.627 119.908 119.300 -0.033 0.000 2.449 52 C HA 0.020 4.480 4.460 0.001 0.000 0.283 52 C C 2.568 177.527 174.990 -0.052 0.000 1.453 52 C CA -0.430 58.568 59.018 -0.033 0.000 1.779 52 C CB -1.780 25.950 27.740 -0.017 0.000 1.779 52 C HN 0.440 nan 8.230 nan 0.000 0.546 53 I N -0.383 120.151 120.570 -0.061 0.000 3.176 53 I HA 0.023 4.193 4.170 0.001 0.000 0.275 53 I C 2.020 178.062 176.117 -0.125 0.000 1.298 53 I CA 1.213 62.460 61.300 -0.088 0.000 1.445 53 I CB -0.776 37.178 38.000 -0.078 0.000 1.075 53 I HN 0.322 nan 8.210 nan 0.000 0.482 54 E N 1.413 121.552 120.200 -0.102 0.000 2.478 54 E HA 0.071 4.422 4.350 0.001 0.000 0.198 54 E C 0.211 176.727 176.600 -0.140 0.000 1.046 54 E CA 0.266 56.597 56.400 -0.114 0.000 0.870 54 E CB 0.193 29.847 29.700 -0.076 0.000 0.818 54 E HN 0.597 nan 8.360 nan 0.000 0.527 55 R N -0.409 120.006 120.500 -0.141 0.000 2.807 55 R HA 0.337 4.678 4.340 0.001 0.000 0.276 55 R C -0.985 175.196 176.300 -0.198 0.000 0.979 55 R CA -0.881 55.140 56.100 -0.132 0.000 0.928 55 R CB 1.164 31.436 30.300 -0.046 0.000 1.191 55 R HN -0.028 nan 8.270 nan 0.000 0.471 56 Y N 1.442 121.635 120.300 -0.179 0.000 2.550 56 Y HA 0.078 4.629 4.550 0.001 0.000 0.343 56 Y C -1.541 174.286 175.900 -0.121 0.000 1.245 56 Y CA -0.671 57.273 58.100 -0.259 0.000 1.462 56 Y CB 0.143 38.344 38.460 -0.432 0.000 1.340 56 Y HN 0.341 nan 8.280 nan 0.000 0.604 57 P HA 0.001 nan 4.420 nan 0.000 0.274 57 P C -1.042 176.236 177.300 -0.037 0.000 1.246 57 P CA -0.471 62.644 63.100 0.025 0.000 0.795 57 P CB 0.489 32.249 31.700 0.100 0.000 1.006 58 D N 0.817 121.084 120.400 -0.221 0.000 2.412 58 D HA 0.044 4.684 4.640 0.001 0.000 0.257 58 D C 1.102 177.106 176.300 -0.494 0.000 1.217 58 D CA 0.170 54.021 54.000 -0.249 0.000 0.897 58 D CB 0.556 41.209 40.800 -0.245 0.000 1.132 58 D HN 0.316 nan 8.370 nan 0.000 0.493 59 A N 4.360 127.064 122.820 -0.194 0.000 2.076 59 A HA -0.180 4.141 4.320 0.001 0.000 0.220 59 A C 1.577 179.066 177.584 -0.159 0.000 1.160 59 A CA 1.310 53.209 52.037 -0.231 0.000 0.653 59 A CB -0.055 18.797 19.000 -0.247 0.000 0.801 59 A HN 0.659 nan 8.150 nan 0.000 0.455 60 D N -2.420 117.907 120.400 -0.121 0.000 2.354 60 D HA 0.089 4.730 4.640 0.001 0.000 0.209 60 D C -0.482 175.909 176.300 0.152 0.000 1.015 60 D CA 0.121 54.169 54.000 0.079 0.000 0.867 60 D CB -0.187 40.665 40.800 0.086 0.000 0.933 60 D HN 0.498 nan 8.370 nan 0.000 0.520 61 Y N -0.257 120.022 120.300 -0.035 0.000 3.225 61 Y HA -0.311 4.239 4.550 0.001 0.000 0.211 61 Y C 1.304 177.082 175.900 -0.204 0.000 1.223 61 Y CA -0.304 57.669 58.100 -0.213 0.000 1.284 61 Y CB -2.625 35.517 38.460 -0.530 0.000 1.367 61 Y HN 0.029 nan 8.280 nan 0.000 0.566 62 F N 0.133 120.049 119.950 -0.057 0.000 2.069 62 F HA -0.234 4.293 4.527 0.001 0.000 0.298 62 F C 2.399 178.267 175.800 0.114 0.000 1.113 62 F CA 2.605 60.623 58.000 0.030 0.000 1.214 62 F CB -0.433 38.551 39.000 -0.026 0.000 0.978 62 F HN 0.418 nan 8.300 nan 0.000 0.474 63 H N -1.021 118.021 119.070 -0.047 0.000 2.353 63 H HA -0.169 4.387 4.556 0.001 0.000 0.300 63 H C 2.095 177.319 175.328 -0.173 0.000 1.090 63 H CA 1.112 57.074 56.048 -0.143 0.000 1.327 63 H CB -0.199 29.570 29.762 0.012 0.000 1.383 63 H HN 0.346 nan 8.280 nan 0.000 0.508 64 L N 0.590 121.821 121.223 0.013 0.000 2.027 64 L HA -0.185 4.156 4.340 0.001 0.000 0.206 64 L C 2.048 178.884 176.870 -0.057 0.000 1.074 64 L CA 1.756 56.568 54.840 -0.047 0.000 0.745 64 L CB -0.596 41.440 42.059 -0.039 0.000 0.898 64 L HN 0.289 nan 8.230 nan 0.000 0.433 65 H N -0.599 118.434 119.070 -0.063 0.000 2.423 65 H HA -0.132 4.424 4.556 0.001 0.000 0.297 65 H C 2.131 177.344 175.328 -0.192 0.000 1.075 65 H CA 1.589 57.572 56.048 -0.108 0.000 1.342 65 H CB -0.260 29.481 29.762 -0.034 0.000 1.395 65 H HN 0.585 nan 8.280 nan 0.000 0.530 66 Q N 0.420 120.097 119.800 -0.205 0.000 2.119 66 Q HA -0.091 4.250 4.340 0.001 0.000 0.201 66 Q C 2.314 178.214 176.000 -0.167 0.000 0.972 66 Q CA 1.253 56.884 55.803 -0.286 0.000 0.847 66 Q CB 0.034 28.450 28.738 -0.536 0.000 0.903 66 Q HN 0.406 nan 8.270 nan 0.000 0.433 67 A N 0.727 123.459 122.820 -0.146 0.000 1.898 67 A HA -0.137 4.184 4.320 0.001 0.000 0.216 67 A C 2.028 179.548 177.584 -0.106 0.000 1.181 67 A CA 1.131 53.095 52.037 -0.122 0.000 0.620 67 A CB -0.633 18.290 19.000 -0.128 0.000 0.819 67 A HN 0.435 nan 8.150 nan 0.000 0.442 68 L N -0.870 120.275 121.223 -0.129 0.000 2.093 68 L HA -0.144 4.196 4.340 0.001 0.000 0.208 68 L C 3.070 179.945 176.870 0.008 0.000 1.085 68 L CA 0.962 55.709 54.840 -0.154 0.000 0.755 68 L CB -0.536 41.304 42.059 -0.365 0.000 0.904 68 L HN 0.427 nan 8.230 nan 0.000 0.435 69 A N 0.111 122.917 122.820 -0.023 0.000 1.898 69 A HA -0.178 4.142 4.320 0.001 0.000 0.216 69 A C 2.404 179.972 177.584 -0.026 0.000 1.181 69 A CA 1.304 53.333 52.037 -0.013 0.000 0.620 69 A CB -0.423 18.528 19.000 -0.082 0.000 0.819 69 A HN 0.294 nan 8.150 nan 0.000 0.442 70 R N -1.506 118.964 120.500 -0.049 0.000 2.092 70 R HA -0.127 4.214 4.340 0.001 0.000 0.231 70 R C 2.269 178.542 176.300 -0.045 0.000 1.119 70 R CA 1.256 57.324 56.100 -0.054 0.000 0.970 70 R CB -0.546 29.718 30.300 -0.060 0.000 0.864 70 R HN 0.796 nan 8.270 nan 0.000 0.440 71 H N 0.046 119.032 119.070 -0.140 0.000 2.353 71 H HA -0.131 4.425 4.556 0.001 0.000 0.300 71 H C 1.174 176.344 175.328 -0.263 0.000 1.090 71 H CA 1.470 57.387 56.048 -0.219 0.000 1.327 71 H CB 0.228 29.800 29.762 -0.316 0.000 1.383 71 H HN 0.317 nan 8.280 nan 0.000 0.508 72 H N 0.015 119.055 119.070 -0.050 0.000 2.539 72 H HA 0.008 4.565 4.556 0.001 0.000 0.269 72 H C 0.560 175.840 175.328 -0.081 0.000 0.980 72 H CA 0.592 56.601 56.048 -0.064 0.000 1.152 72 H CB 0.444 30.254 29.762 0.081 0.000 1.407 72 H HN 0.292 nan 8.280 nan 0.000 0.564 73 Q N 0.884 120.670 119.800 -0.023 0.000 2.463 73 Q HA -0.146 4.195 4.340 0.001 0.000 0.299 73 Q C -0.938 174.991 176.000 -0.118 0.000 1.353 73 Q CA 0.457 56.218 55.803 -0.070 0.000 0.828 73 Q CB -1.886 26.810 28.738 -0.070 0.000 1.157 73 Q HN 0.385 nan 8.270 nan 0.000 0.436 74 V N -3.669 116.145 119.914 -0.167 0.000 3.141 74 V HA 0.972 5.093 4.120 0.001 0.000 0.312 74 V C -2.405 173.375 176.094 -0.524 0.000 1.157 74 V CA -2.505 59.529 62.300 -0.443 0.000 1.041 74 V CB 2.135 33.754 31.823 -0.339 0.000 1.071 74 V HN 0.092 nan 8.190 nan 0.000 0.441 75 P HA 0.326 nan 4.420 nan 0.000 0.269 75 P C 0.622 177.694 177.300 -0.379 0.000 1.209 75 P CA 0.413 63.140 63.100 -0.623 0.000 0.776 75 P CB 1.048 32.252 31.700 -0.828 0.000 0.876 76 A N 2.412 125.129 122.820 -0.173 0.000 2.015 76 A HA -0.148 4.173 4.320 0.001 0.000 0.219 76 A C 1.983 179.562 177.584 -0.008 0.000 1.163 76 A CA 1.917 53.911 52.037 -0.071 0.000 0.646 76 A CB -1.477 17.498 19.000 -0.042 0.000 0.806 76 A HN 0.595 nan 8.150 nan 0.000 0.448 77 S N -2.119 113.603 115.700 0.036 0.000 2.547 77 S HA -0.121 4.349 4.470 0.001 0.000 0.235 77 S C 1.159 175.914 174.600 0.259 0.000 0.980 77 S CA 0.601 58.883 58.200 0.136 0.000 0.941 77 S CB -0.561 62.739 63.200 0.167 0.000 0.763 77 S HN 0.664 nan 8.310 nan 0.000 0.532 78 W N 1.760 123.026 121.300 -0.056 0.000 3.256 78 W HA 0.515 5.176 4.660 0.001 0.000 0.269 78 W C 0.353 176.825 176.519 -0.079 0.000 1.310 78 W CA -1.519 55.779 57.345 -0.078 0.000 1.673 78 W CB -0.465 28.950 29.460 -0.076 0.000 1.115 78 W HN 0.237 nan 8.180 nan 0.000 0.686 79 I N 1.302 121.921 120.570 0.082 0.000 2.509 79 I HA 0.289 4.459 4.170 0.001 0.000 0.293 79 I C -1.124 174.801 176.117 -0.321 0.000 1.020 79 I CA -1.206 60.072 61.300 -0.037 0.000 1.088 79 I CB 2.122 40.086 38.000 -0.060 0.000 1.267 79 I HN -0.474 nan 8.210 nan 0.000 0.430 80 L N 6.314 127.462 121.223 -0.125 0.000 2.406 80 L HA 0.691 5.031 4.340 0.001 0.000 0.270 80 L C -0.101 176.852 176.870 0.138 0.000 0.982 80 L CA -0.179 54.590 54.840 -0.117 0.000 0.843 80 L CB 1.314 43.403 42.059 0.051 0.000 1.225 80 L HN 0.691 nan 8.230 nan 0.000 0.412 81 A N 3.115 126.135 122.820 0.334 0.000 2.386 81 A HA 0.758 5.079 4.320 0.001 0.000 0.248 81 A C 0.405 178.051 177.584 0.103 0.000 1.082 81 A CA 0.414 52.596 52.037 0.241 0.000 0.789 81 A CB 0.199 19.278 19.000 0.131 0.000 1.025 81 A HN 0.974 nan 8.150 nan 0.000 0.490 82 G N -0.219 108.640 108.800 0.098 0.000 2.605 82 G HA2 0.417 4.378 3.960 0.001 0.000 0.296 82 G HA3 0.417 4.378 3.960 0.001 0.000 0.296 82 G C -0.402 174.524 174.900 0.042 0.000 1.304 82 G CA -0.748 44.389 45.100 0.062 0.000 0.941 82 G HN 0.823 nan 8.290 nan 0.000 0.475 83 N N 0.785 119.508 118.700 0.038 0.000 2.819 83 N HA 0.381 5.122 4.740 0.001 0.000 0.284 83 N C 0.649 176.192 175.510 0.054 0.000 1.196 83 N CA 0.701 53.774 53.050 0.038 0.000 1.114 83 N CB -0.422 38.089 38.487 0.041 0.000 1.437 83 N HN 1.185 nan 8.380 nan 0.000 0.518 84 G N 1.752 110.587 108.800 0.057 0.000 2.716 84 G HA2 -0.226 3.735 3.960 0.001 0.000 0.686 84 G HA3 -0.226 3.735 3.960 0.001 0.000 0.686 84 G C 0.190 175.139 174.900 0.082 0.000 1.337 84 G CA -0.242 44.895 45.100 0.063 0.000 0.829 84 G HN 0.584 nan 8.290 nan 0.000 0.599 85 E N -0.325 119.911 120.200 0.060 0.000 2.265 85 E HA -0.132 4.219 4.350 0.001 0.000 0.196 85 E C 2.440 179.123 176.600 0.138 0.000 0.996 85 E CA 1.769 58.208 56.400 0.065 0.000 0.832 85 E CB -0.162 29.537 29.700 -0.002 0.000 0.756 85 E HN 0.619 nan 8.360 nan 0.000 0.491 86 T N 0.648 115.300 114.554 0.163 0.000 2.720 86 T HA -0.215 4.136 4.350 0.001 0.000 0.268 86 T C 1.640 176.548 174.700 0.346 0.000 1.037 86 T CA 1.572 63.846 62.100 0.289 0.000 1.144 86 T CB -0.191 68.833 68.868 0.260 0.000 0.864 86 T HN 0.345 nan 8.240 nan 0.000 0.444 87 E N 0.625 120.958 120.200 0.222 0.000 2.072 87 E HA -0.114 4.237 4.350 0.001 0.000 0.191 87 E C 2.288 179.027 176.600 0.231 0.000 0.985 87 E CA 1.112 57.640 56.400 0.213 0.000 0.801 87 E CB -0.047 29.721 29.700 0.114 0.000 0.750 87 E HN 0.360 nan 8.360 nan 0.000 0.452 88 S N 0.601 116.410 115.700 0.181 0.000 2.383 88 S HA -0.163 4.307 4.470 0.001 0.000 0.229 88 S C 1.902 176.596 174.600 0.157 0.000 1.030 88 S CA 1.071 59.365 58.200 0.156 0.000 1.002 88 S CB -0.228 63.050 63.200 0.130 0.000 0.829 88 S HN 0.299 nan 8.310 nan 0.000 0.467 89 I N 0.269 120.951 120.570 0.188 0.000 2.179 89 I HA -0.190 3.980 4.170 0.001 0.000 0.242 89 I C 1.893 178.014 176.117 0.005 0.000 1.088 89 I CA 1.412 62.786 61.300 0.124 0.000 1.357 89 I CB -0.350 37.749 38.000 0.165 0.000 1.051 89 I HN 0.206 nan 8.210 nan 0.000 0.409 90 F N 0.589 120.579 119.950 0.066 0.000 2.186 90 F HA -0.191 4.336 4.527 0.001 0.000 0.299 90 F C 2.696 178.506 175.800 0.018 0.000 1.090 90 F CA 1.532 59.550 58.000 0.030 0.000 1.307 90 F CB -0.987 38.028 39.000 0.025 0.000 1.019 90 F HN -0.026 nan 8.300 nan 0.000 0.489 91 T N -0.711 113.960 114.554 0.194 0.000 2.708 91 T HA -0.176 4.175 4.350 0.001 0.000 0.266 91 T C 2.236 176.943 174.700 0.012 0.000 1.037 91 T CA 1.405 63.567 62.100 0.103 0.000 1.146 91 T CB -0.629 68.303 68.868 0.106 0.000 0.865 91 T HN 0.131 nan 8.240 nan 0.000 0.435 92 V N 1.205 121.105 119.914 -0.024 0.000 2.427 92 V HA -0.053 4.068 4.120 0.001 0.000 0.248 92 V C 2.608 178.601 176.094 -0.168 0.000 1.051 92 V CA 1.768 63.952 62.300 -0.193 0.000 1.048 92 V CB -0.889 30.803 31.823 -0.218 0.000 0.666 92 V HN 0.508 nan 8.190 nan 0.000 0.456 93 A N 0.220 123.007 122.820 -0.055 0.000 1.877 93 A HA -0.184 4.136 4.320 0.001 0.000 0.216 93 A C 2.549 180.108 177.584 -0.042 0.000 1.186 93 A CA 2.420 54.435 52.037 -0.037 0.000 0.620 93 A CB -0.901 18.028 19.000 -0.119 0.000 0.822 93 A HN 0.787 nan 8.150 nan 0.000 0.443 94 S N -0.664 115.028 115.700 -0.014 0.000 2.406 94 S HA 0.063 4.533 4.470 0.001 0.000 0.228 94 S C 1.965 176.552 174.600 -0.021 0.000 1.020 94 S CA 1.184 59.387 58.200 0.005 0.000 0.965 94 S CB -0.912 62.318 63.200 0.050 0.000 0.798 94 S HN 0.644 nan 8.310 nan 0.000 0.488 95 G N 1.351 110.119 108.800 -0.053 0.000 2.464 95 G HA2 0.140 4.101 3.960 0.001 0.000 0.217 95 G HA3 0.140 4.101 3.960 0.001 0.000 0.217 95 G C 1.391 176.228 174.900 -0.105 0.000 1.138 95 G CA 0.443 45.503 45.100 -0.067 0.000 0.793 95 G HN 0.501 nan 8.290 nan 0.000 0.539 96 L N -0.065 121.056 121.223 -0.170 0.000 2.375 96 L HA 0.223 4.563 4.340 0.001 0.000 0.215 96 L C 2.126 178.951 176.870 -0.075 0.000 1.108 96 L CA 0.570 55.311 54.840 -0.166 0.000 0.830 96 L CB -0.335 41.555 42.059 -0.281 0.000 0.959 96 L HN 0.311 nan 8.230 nan 0.000 0.457 97 K N 0.378 120.748 120.400 -0.051 0.000 3.311 97 K HA -0.178 4.142 4.320 0.001 0.000 0.270 97 K C -2.181 174.411 176.600 -0.013 0.000 0.927 97 K CA 0.894 57.169 56.287 -0.021 0.000 0.706 97 K CB -3.080 29.413 32.500 -0.012 0.000 1.418 97 K HN 0.383 nan 8.250 nan 0.000 0.459 98 P HA 0.242 nan 4.420 nan 0.000 0.269 98 P C 0.252 177.558 177.300 0.010 0.000 1.209 98 P CA -0.173 62.930 63.100 0.005 0.000 0.776 98 P CB 1.156 32.875 31.700 0.032 0.000 0.876 99 R N 1.412 121.918 120.500 0.010 0.000 2.112 99 R HA 0.149 4.489 4.340 0.001 0.000 0.216 99 R C 0.786 177.096 176.300 0.017 0.000 1.080 99 R CA 1.031 57.138 56.100 0.011 0.000 0.996 99 R CB 0.010 30.315 30.300 0.008 0.000 0.902 99 R HN 0.494 nan 8.270 nan 0.000 0.449 100 R N -0.629 119.885 120.500 0.022 0.000 2.574 100 R HA 0.717 5.057 4.340 0.001 0.000 0.288 100 R C -1.529 174.800 176.300 0.048 0.000 1.004 100 R CA -0.496 55.623 56.100 0.031 0.000 0.895 100 R CB 2.410 32.726 30.300 0.026 0.000 1.191 100 R HN 0.129 nan 8.270 nan 0.000 0.444 101 A N 2.889 125.751 122.820 0.071 0.000 2.539 101 A HA 0.714 5.035 4.320 0.001 0.000 0.296 101 A C -1.388 176.275 177.584 0.131 0.000 1.073 101 A CA -0.743 51.367 52.037 0.123 0.000 0.700 101 A CB 2.047 21.174 19.000 0.212 0.000 1.296 101 A HN 0.711 nan 8.150 nan 0.000 0.405 102 M N 2.852 122.549 119.600 0.162 0.000 2.311 102 M HA 0.729 5.209 4.480 0.001 0.000 0.325 102 M C -1.195 175.246 176.300 0.235 0.000 1.061 102 M CA -0.801 54.599 55.300 0.165 0.000 0.957 102 M CB 0.976 33.652 32.600 0.127 0.000 1.646 102 M HN 0.737 nan 8.290 nan 0.000 0.434 103 I N 1.735 122.431 120.570 0.211 0.000 2.910 103 I HA 0.792 4.962 4.170 0.001 0.000 0.310 103 I C -1.383 174.884 176.117 0.250 0.000 1.043 103 I CA -1.106 60.332 61.300 0.230 0.000 1.053 103 I CB 2.083 40.189 38.000 0.177 0.000 1.242 103 I HN 0.397 nan 8.210 nan 0.000 0.452 104 V N 1.958 122.036 119.914 0.274 0.000 2.448 104 V HA 0.502 4.622 4.120 0.001 0.000 0.295 104 V C 0.097 176.335 176.094 0.240 0.000 1.025 104 V CA -0.223 62.257 62.300 0.300 0.000 0.859 104 V CB 1.716 33.726 31.823 0.312 0.000 0.988 104 V HN 0.979 nan 8.190 nan 0.000 0.431 105 T N 3.814 118.472 114.554 0.173 0.000 2.856 105 T HA 0.650 5.000 4.350 0.001 0.000 0.283 105 T C -2.820 171.925 174.700 0.075 0.000 1.008 105 T CA -2.348 59.819 62.100 0.112 0.000 0.997 105 T CB 2.247 71.155 68.868 0.065 0.000 0.992 105 T HN 0.463 nan 8.240 nan 0.000 0.454 106 P HA 0.529 nan 4.420 nan 0.000 0.275 106 P C -0.037 177.314 177.300 0.084 0.000 1.228 106 P CA 0.058 63.144 63.100 -0.024 0.000 0.786 106 P CB 1.207 32.719 31.700 -0.312 0.000 0.927 107 G N 1.322 110.265 108.800 0.239 0.000 2.608 107 G HA2 0.373 4.333 3.960 0.001 0.000 0.291 107 G HA3 0.373 4.333 3.960 0.001 0.000 0.291 107 G C -1.662 173.418 174.900 0.301 0.000 1.425 107 G CA -0.686 44.591 45.100 0.294 0.000 0.787 107 G HN 0.345 nan 8.290 nan 0.000 0.484 108 F N 1.843 121.748 119.950 -0.074 0.000 2.608 108 F HA 0.402 4.929 4.527 0.001 0.000 0.380 108 F C 1.576 177.101 175.800 -0.458 0.000 1.083 108 F CA 0.099 57.927 58.000 -0.286 0.000 1.266 108 F CB 1.250 39.955 39.000 -0.492 0.000 1.076 108 F HN 0.601 nan 8.300 nan 0.000 0.574 109 A N 4.774 127.203 122.820 -0.650 0.000 2.019 109 A HA -0.116 4.204 4.320 0.001 0.000 0.219 109 A C 1.925 179.133 177.584 -0.627 0.000 1.164 109 A CA 1.346 53.042 52.037 -0.568 0.000 0.644 109 A CB -0.526 18.179 19.000 -0.492 0.000 0.805 109 A HN 0.774 nan 8.150 nan 0.000 0.449 110 E N -0.559 119.027 120.200 -1.023 0.000 2.338 110 E HA -0.150 4.200 4.350 0.001 0.000 0.197 110 E C 1.499 177.807 176.600 -0.487 0.000 1.007 110 E CA 0.778 56.796 56.400 -0.637 0.000 0.849 110 E CB -0.431 28.949 29.700 -0.533 0.000 0.774 110 E HN 0.801 nan 8.360 nan 0.000 0.506 111 Y N 0.667 120.745 120.300 -0.370 0.000 2.145 111 Y HA -0.058 4.493 4.550 0.001 0.000 0.286 111 Y C 2.663 178.263 175.900 -0.499 0.000 1.145 111 Y CA 0.946 58.748 58.100 -0.496 0.000 1.148 111 Y CB -1.388 36.795 38.460 -0.461 0.000 0.981 111 Y HN 0.084 nan 8.280 nan 0.000 0.507 112 G N -0.109 108.569 108.800 -0.203 0.000 2.422 112 G HA2 -0.211 3.750 3.960 0.001 0.000 0.218 112 G HA3 -0.211 3.750 3.960 0.001 0.000 0.218 112 G C 1.819 176.606 174.900 -0.187 0.000 1.146 112 G CA 0.711 45.704 45.100 -0.177 0.000 0.769 112 G HN 0.302 nan 8.290 nan 0.000 0.547 113 R N 0.472 120.845 120.500 -0.212 0.000 2.075 113 R HA 0.053 4.394 4.340 0.001 0.000 0.232 113 R C 3.023 179.234 176.300 -0.148 0.000 1.126 113 R CA 1.109 57.133 56.100 -0.126 0.000 0.963 113 R CB -0.379 29.898 30.300 -0.038 0.000 0.858 113 R HN 0.344 nan 8.270 nan 0.000 0.435 114 A N 1.341 123.888 122.820 -0.455 0.000 1.902 114 A HA -0.109 4.211 4.320 0.001 0.000 0.217 114 A C 2.199 179.635 177.584 -0.246 0.000 1.181 114 A CA 1.102 52.798 52.037 -0.568 0.000 0.623 114 A CB -0.495 17.852 19.000 -1.089 0.000 0.818 114 A HN 0.158 nan 8.150 nan 0.000 0.443 115 L N -0.829 120.239 121.223 -0.258 0.000 2.056 115 L HA -0.173 4.168 4.340 0.001 0.000 0.207 115 L C 3.084 179.905 176.870 -0.082 0.000 1.078 115 L CA 1.007 55.752 54.840 -0.158 0.000 0.749 115 L CB -0.509 41.440 42.059 -0.184 0.000 0.901 115 L HN 0.435 nan 8.230 nan 0.000 0.433 116 A N -0.524 122.250 122.820 -0.077 0.000 1.902 116 A HA -0.238 4.082 4.320 0.001 0.000 0.217 116 A C 2.207 179.785 177.584 -0.010 0.000 1.181 116 A CA 1.415 53.430 52.037 -0.037 0.000 0.623 116 A CB -0.443 18.535 19.000 -0.037 0.000 0.818 116 A HN 0.465 nan 8.150 nan 0.000 0.443 117 Q N 0.117 119.923 119.800 0.010 0.000 2.226 117 Q HA -0.116 4.224 4.340 0.001 0.000 0.204 117 Q C 2.005 178.025 176.000 0.033 0.000 0.975 117 Q CA 1.588 57.419 55.803 0.046 0.000 0.866 117 Q CB -0.187 28.625 28.738 0.122 0.000 0.915 117 Q HN 0.825 nan 8.270 nan 0.000 0.440 118 S N -1.564 114.145 115.700 0.014 0.000 2.575 118 S HA 0.248 4.718 4.470 0.001 0.000 0.215 118 S C 1.278 175.880 174.600 0.003 0.000 0.966 118 S CA 0.215 58.421 58.200 0.010 0.000 0.911 118 S CB 0.662 63.862 63.200 -0.001 0.000 0.780 118 S HN 0.474 nan 8.310 nan 0.000 0.514 119 G N 0.378 109.178 108.800 0.000 0.000 2.136 119 G HA2 -0.290 3.671 3.960 0.001 0.000 0.242 119 G HA3 -0.290 3.671 3.960 0.001 0.000 0.242 119 G C 0.254 175.153 174.900 -0.002 0.000 0.989 119 G CA -0.098 45.002 45.100 -0.000 0.000 0.682 119 G HN 0.773 nan 8.290 nan 0.000 0.522 120 C N 0.727 120.023 119.300 -0.006 0.000 2.605 120 C HA 0.551 5.012 4.460 0.001 0.000 0.404 120 C C 1.147 176.138 174.990 0.002 0.000 1.284 120 C CA -0.316 58.702 59.018 -0.000 0.000 2.199 120 C CB 0.684 28.424 27.740 -0.000 0.000 2.647 120 C HN 0.563 nan 8.230 nan 0.000 0.604 121 E N 4.439 124.645 120.200 0.010 0.000 2.223 121 E HA 0.332 4.683 4.350 0.001 0.000 0.282 121 E C -0.904 175.709 176.600 0.021 0.000 1.046 121 E CA -0.106 56.302 56.400 0.013 0.000 0.857 121 E CB 0.468 30.178 29.700 0.016 0.000 1.055 121 E HN 0.646 nan 8.360 nan 0.000 0.409 122 I N 5.315 125.895 120.570 0.017 0.000 2.339 122 I HA 0.338 4.508 4.170 0.001 0.000 0.290 122 I C 0.265 176.406 176.117 0.040 0.000 0.994 122 I CA -0.619 60.697 61.300 0.026 0.000 1.191 122 I CB 1.328 39.330 38.000 0.003 0.000 1.343 122 I HN 0.385 nan 8.210 nan 0.000 0.458 123 R N 5.858 126.397 120.500 0.065 0.000 2.532 123 R HA 0.639 4.979 4.340 0.001 0.000 0.295 123 R C -0.735 175.630 176.300 0.109 0.000 0.968 123 R CA -0.901 55.247 56.100 0.081 0.000 0.916 123 R CB 1.935 32.291 30.300 0.093 0.000 1.124 123 R HN 0.518 nan 8.270 nan 0.000 0.463 124 R N 1.645 122.207 120.500 0.104 0.000 2.445 124 R HA 0.226 4.566 4.340 0.001 0.000 0.308 124 R C -1.017 175.378 176.300 0.160 0.000 0.961 124 R CA -0.613 55.559 56.100 0.120 0.000 0.862 124 R CB 1.852 32.187 30.300 0.057 0.000 1.144 124 R HN 0.564 nan 8.270 nan 0.000 0.447 125 W N 4.133 125.468 121.300 0.058 0.000 2.316 125 W HA 0.277 4.939 4.660 0.003 0.000 0.308 125 W C -1.160 175.400 176.519 0.068 0.000 1.106 125 W CA -0.451 56.927 57.345 0.055 0.000 1.262 125 W CB 1.634 31.127 29.460 0.054 0.000 1.233 125 W HN 0.444 nan 8.180 nan 0.000 0.447 126 S N 6.735 122.004 115.700 -0.718 0.000 2.439 126 S HA 0.324 4.794 4.470 0.001 0.000 0.282 126 S C 0.320 174.632 174.600 -0.480 0.000 1.170 126 S CA -0.568 57.365 58.200 -0.445 0.000 1.054 126 S CB 0.707 63.710 63.200 -0.329 0.000 0.956 126 S HN 0.393 nan 8.310 nan 0.000 0.490 127 L N 3.867 125.047 121.223 -0.073 0.000 2.473 127 L HA 0.334 4.674 4.340 0.001 0.000 0.268 127 L C 0.814 177.688 176.870 0.007 0.000 1.215 127 L CA -0.027 54.870 54.840 0.094 0.000 0.823 127 L CB 0.313 42.564 42.059 0.321 0.000 1.099 127 L HN 0.457 nan 8.230 nan 0.000 0.483 128 R N 0.903 121.298 120.500 -0.176 0.000 2.562 128 R HA 0.163 4.503 4.340 0.001 0.000 0.298 128 R C 0.430 176.109 176.300 -1.035 0.000 0.961 128 R CA -0.681 55.123 56.100 -0.493 0.000 0.881 128 R CB 2.027 32.150 30.300 -0.295 0.000 1.159 128 R HN 0.614 nan 8.270 nan 0.000 0.450 129 E N 2.421 121.725 120.200 -1.493 0.000 2.153 129 E HA -0.205 4.146 4.350 0.001 0.000 0.194 129 E C 1.387 177.601 176.600 -0.643 0.000 0.988 129 E CA 1.550 57.039 56.400 -1.518 0.000 0.811 129 E CB 0.120 29.375 29.700 -0.741 0.000 0.746 129 E HN 0.751 nan 8.360 nan 0.000 0.466 130 A N 0.805 123.382 122.820 -0.405 0.000 2.125 130 A HA -0.139 4.181 4.320 0.001 0.000 0.219 130 A C 1.233 178.723 177.584 -0.158 0.000 1.156 130 A CA 1.397 53.311 52.037 -0.206 0.000 0.671 130 A CB -0.014 18.900 19.000 -0.143 0.000 0.794 130 A HN 0.215 nan 8.150 nan 0.000 0.459 131 D N -1.146 119.131 120.400 -0.206 0.000 2.368 131 D HA 0.291 4.931 4.640 0.001 0.000 0.218 131 D C 1.218 177.474 176.300 -0.073 0.000 1.112 131 D CA 0.791 54.732 54.000 -0.098 0.000 0.834 131 D CB 0.021 40.791 40.800 -0.052 0.000 0.953 131 D HN 0.491 nan 8.370 nan 0.000 0.505 132 G N 0.617 109.337 108.800 -0.134 0.000 2.179 132 G HA2 -0.331 3.629 3.960 0.001 0.000 0.257 132 G HA3 -0.331 3.629 3.960 0.001 0.000 0.257 132 G C 0.432 175.356 174.900 0.040 0.000 1.010 132 G CA 0.232 45.355 45.100 0.039 0.000 0.736 132 G HN 0.397 nan 8.290 nan 0.000 0.513 133 W N -2.702 118.572 121.300 -0.044 0.000 2.869 133 W HA -0.215 4.445 4.660 -0.001 0.000 0.285 133 W C 1.061 177.558 176.519 -0.038 0.000 1.098 133 W CA 0.754 58.029 57.345 -0.115 0.000 0.571 133 W CB -1.633 27.641 29.460 -0.309 0.000 2.131 133 W HN 0.781 nan 8.180 nan 0.000 1.367 134 Q N 1.408 121.299 119.800 0.152 0.000 2.299 134 Q HA 0.544 4.885 4.340 0.001 0.000 0.246 134 Q C -0.221 175.871 176.000 0.153 0.000 0.935 134 Q CA -0.571 55.316 55.803 0.140 0.000 0.887 134 Q CB 1.012 29.813 28.738 0.106 0.000 1.223 134 Q HN 0.188 nan 8.270 nan 0.000 0.439 135 L N 3.181 124.498 121.223 0.156 0.000 2.380 135 L HA 0.443 4.783 4.340 0.001 0.000 0.273 135 L C -0.321 176.625 176.870 0.127 0.000 1.138 135 L CA 0.734 55.679 54.840 0.177 0.000 0.832 135 L CB 0.729 42.870 42.059 0.136 0.000 1.124 135 L HN 0.926 nan 8.230 nan 0.000 0.454 136 T N -0.213 114.429 114.554 0.146 0.000 2.910 136 T HA 0.374 4.724 4.350 0.001 0.000 0.287 136 T C 0.529 175.240 174.700 0.018 0.000 1.050 136 T CA -0.047 62.106 62.100 0.089 0.000 1.011 136 T CB 1.174 70.111 68.868 0.116 0.000 1.195 136 T HN 0.645 nan 8.240 nan 0.000 0.540 137 D N 0.021 120.423 120.400 0.003 0.000 2.392 137 D HA 0.031 4.671 4.640 0.001 0.000 0.228 137 D C 1.874 178.130 176.300 -0.074 0.000 1.003 137 D CA 0.809 54.782 54.000 -0.045 0.000 0.917 137 D CB -0.669 40.118 40.800 -0.021 0.000 0.890 137 D HN 0.674 nan 8.370 nan 0.000 0.532 138 A N 0.760 123.574 122.820 -0.010 0.000 2.070 138 A HA -0.065 4.255 4.320 0.001 0.000 0.220 138 A C 2.244 179.631 177.584 -0.328 0.000 1.159 138 A CA 0.770 52.822 52.037 0.024 0.000 0.656 138 A CB -0.892 18.286 19.000 0.296 0.000 0.800 138 A HN 0.394 nan 8.150 nan 0.000 0.453 139 I N -0.513 119.629 120.570 -0.714 0.000 2.493 139 I HA -0.212 3.959 4.170 0.001 0.000 0.254 139 I C 1.992 177.731 176.117 -0.630 0.000 1.160 139 I CA 0.828 61.331 61.300 -1.328 0.000 1.445 139 I CB -0.057 37.176 38.000 -1.279 0.000 1.086 139 I HN 0.351 nan 8.210 nan 0.000 0.433 140 L N 1.191 122.205 121.223 -0.348 0.000 2.012 140 L HA -0.240 4.100 4.340 0.001 0.000 0.210 140 L C 3.034 179.808 176.870 -0.159 0.000 1.073 140 L CA 2.053 56.769 54.840 -0.206 0.000 0.748 140 L CB -1.337 40.647 42.059 -0.126 0.000 0.891 140 L HN 0.374 nan 8.230 nan 0.000 0.431 141 E N 0.287 120.408 120.200 -0.132 0.000 2.268 141 E HA -0.061 4.289 4.350 0.001 0.000 0.195 141 E C 2.123 178.694 176.600 -0.050 0.000 0.995 141 E CA 1.152 57.515 56.400 -0.063 0.000 0.836 141 E CB -0.631 29.059 29.700 -0.016 0.000 0.763 141 E HN 0.598 nan 8.360 nan 0.000 0.491 142 A N -0.172 122.584 122.820 -0.105 0.000 2.167 142 A HA 0.367 4.687 4.320 0.001 0.000 0.214 142 A C 1.208 178.768 177.584 -0.041 0.000 1.151 142 A CA -0.024 51.997 52.037 -0.027 0.000 0.735 142 A CB -0.123 18.872 19.000 -0.007 0.000 0.802 142 A HN 0.427 nan 8.150 nan 0.000 0.467 143 L N 1.950 123.120 121.223 -0.089 0.000 2.281 143 L HA 0.323 4.663 4.340 0.001 0.000 0.285 143 L C 0.343 177.191 176.870 -0.037 0.000 1.074 143 L CA -0.329 54.471 54.840 -0.065 0.000 0.817 143 L CB 0.961 42.966 42.059 -0.090 0.000 1.168 143 L HN 0.323 nan 8.230 nan 0.000 0.434 144 T N -0.499 114.045 114.554 -0.018 0.000 2.924 144 T HA 0.423 4.773 4.350 0.001 0.000 0.291 144 T C -2.173 172.520 174.700 -0.013 0.000 1.045 144 T CA -2.053 60.041 62.100 -0.010 0.000 1.015 144 T CB 2.124 70.995 68.868 0.005 0.000 1.103 144 T HN 0.178 nan 8.240 nan 0.000 0.496 145 P HA -0.086 nan 4.420 nan 0.000 0.219 145 P C 1.086 178.381 177.300 -0.008 0.000 1.146 145 P CA 1.038 64.129 63.100 -0.014 0.000 0.808 145 P CB -0.029 31.663 31.700 -0.013 0.000 0.779 146 D N -1.216 119.182 120.400 -0.002 0.000 2.363 146 D HA -0.073 4.568 4.640 0.001 0.000 0.220 146 D C 0.516 176.819 176.300 0.005 0.000 0.994 146 D CA 0.238 54.239 54.000 0.002 0.000 0.890 146 D CB -0.813 39.991 40.800 0.007 0.000 0.906 146 D HN 0.169 nan 8.370 nan 0.000 0.530 147 L N 1.004 122.228 121.223 0.002 0.000 2.380 147 L HA 0.088 4.428 4.340 0.001 0.000 0.273 147 L C 1.043 177.911 176.870 -0.004 0.000 1.138 147 L CA -0.250 54.593 54.840 0.005 0.000 0.832 147 L CB 1.025 43.085 42.059 0.001 0.000 1.124 147 L HN -0.178 nan 8.230 nan 0.000 0.454 148 D N 0.825 121.225 120.400 -0.001 0.000 2.277 148 D HA 0.101 4.742 4.640 0.001 0.000 0.209 148 D C -0.067 176.209 176.300 -0.041 0.000 0.970 148 D CA 0.693 54.686 54.000 -0.012 0.000 0.874 148 D CB 0.522 41.319 40.800 -0.006 0.000 0.982 148 D HN 0.427 nan 8.370 nan 0.000 0.504 149 C N 0.380 119.652 119.300 -0.048 0.000 3.086 149 C HA 0.630 5.091 4.460 0.001 0.000 0.311 149 C C -1.227 173.679 174.990 -0.139 0.000 1.260 149 C CA -1.056 57.867 59.018 -0.159 0.000 1.426 149 C CB 1.949 29.541 27.740 -0.247 0.000 1.826 149 C HN 0.187 nan 8.230 nan 0.000 0.474 150 L N 1.651 122.699 121.223 -0.291 0.000 2.409 150 L HA 0.782 5.122 4.340 0.001 0.000 0.272 150 L C -1.624 175.003 176.870 -0.406 0.000 0.980 150 L CA -0.077 54.652 54.840 -0.185 0.000 0.826 150 L CB 0.820 42.803 42.059 -0.126 0.000 1.268 150 L HN 0.609 nan 8.230 nan 0.000 0.407 151 F N 5.812 125.680 119.950 -0.136 0.000 2.411 151 F HA 0.638 5.166 4.527 0.001 0.000 0.352 151 F C -0.307 175.382 175.800 -0.185 0.000 1.123 151 F CA -0.442 57.410 58.000 -0.248 0.000 1.044 151 F CB 1.350 40.091 39.000 -0.431 0.000 1.135 151 F HN 0.239 nan 8.300 nan 0.000 0.461 152 L N 3.206 124.395 121.223 -0.057 0.000 2.354 152 L HA 0.566 4.906 4.340 0.001 0.000 0.269 152 L C -0.978 175.915 176.870 0.038 0.000 1.005 152 L CA -0.861 53.984 54.840 0.008 0.000 0.819 152 L CB 2.229 44.264 42.059 -0.039 0.000 1.311 152 L HN 0.598 nan 8.230 nan 0.000 0.423 153 C N 1.806 121.192 119.300 0.143 0.000 2.345 153 C HA 0.747 5.207 4.460 0.001 0.000 0.323 153 C C 0.257 175.357 174.990 0.184 0.000 1.276 153 C CA -0.210 58.936 59.018 0.213 0.000 1.543 153 C CB 0.567 28.518 27.740 0.352 0.000 2.211 153 C HN 0.849 nan 8.230 nan 0.000 0.493 154 T N 4.792 119.454 114.554 0.181 0.000 3.038 154 T HA 0.507 4.857 4.350 0.001 0.000 0.344 154 T C -2.698 172.134 174.700 0.221 0.000 1.054 154 T CA -1.086 61.116 62.100 0.171 0.000 1.092 154 T CB 1.246 70.190 68.868 0.126 0.000 1.031 154 T HN 0.601 nan 8.240 nan 0.000 0.482 155 P HA 0.232 nan 4.420 nan 0.000 0.276 155 P C -0.329 177.119 177.300 0.246 0.000 1.252 155 P CA -0.553 62.669 63.100 0.204 0.000 0.802 155 P CB 1.002 32.793 31.700 0.150 0.000 1.035 156 N N 1.281 120.098 118.700 0.196 0.000 2.525 156 N HA 0.013 4.753 4.740 0.001 0.000 0.271 156 N C -0.190 175.443 175.510 0.206 0.000 1.194 156 N CA -0.309 52.863 53.050 0.203 0.000 0.964 156 N CB 0.215 38.792 38.487 0.150 0.000 1.126 156 N HN 0.349 nan 8.380 nan 0.000 0.452 157 N N 2.792 121.591 118.700 0.165 0.000 2.392 157 N HA 0.302 5.042 4.740 0.001 0.000 0.283 157 N C -2.269 173.231 175.510 -0.016 0.000 1.003 157 N CA -2.190 50.871 53.050 0.019 0.000 0.892 157 N CB 1.806 40.324 38.487 0.051 0.000 1.193 157 N HN 0.383 nan 8.380 nan 0.000 0.487 158 P HA 0.089 nan 4.420 nan 0.000 0.261 158 P C 0.742 178.009 177.300 -0.054 0.000 1.268 158 P CA 0.367 63.306 63.100 -0.269 0.000 0.833 158 P CB 0.196 31.529 31.700 -0.611 0.000 1.231 159 T N -4.184 110.325 114.554 -0.075 0.000 2.951 159 T HA 0.117 4.468 4.350 0.001 0.000 0.268 159 T C 1.757 176.495 174.700 0.064 0.000 1.073 159 T CA 1.281 63.350 62.100 -0.052 0.000 1.134 159 T CB -1.279 67.540 68.868 -0.082 0.000 0.884 159 T HN 0.191 nan 8.240 nan 0.000 0.479 160 G N 1.214 110.091 108.800 0.129 0.000 2.184 160 G HA2 -0.224 3.736 3.960 0.001 0.000 0.264 160 G HA3 -0.224 3.736 3.960 0.001 0.000 0.264 160 G C -0.020 174.838 174.900 -0.069 0.000 0.975 160 G CA 0.349 45.363 45.100 -0.144 0.000 0.642 160 G HN 0.676 nan 8.290 nan 0.000 0.536 161 L N 0.210 121.451 121.223 0.030 0.000 2.326 161 L HA 0.644 4.984 4.340 0.001 0.000 0.278 161 L C 0.479 177.393 176.870 0.074 0.000 1.092 161 L CA -1.052 53.818 54.840 0.051 0.000 0.810 161 L CB 1.314 43.425 42.059 0.087 0.000 1.153 161 L HN 0.127 nan 8.230 nan 0.000 0.439 162 L N 6.210 127.473 121.223 0.066 0.000 2.264 162 L HA 0.522 4.863 4.340 0.001 0.000 0.289 162 L C -2.276 174.645 176.870 0.086 0.000 1.044 162 L CA -1.524 53.369 54.840 0.088 0.000 0.807 162 L CB 0.940 43.049 42.059 0.084 0.000 1.192 162 L HN 0.284 nan 8.230 nan 0.000 0.425 163 P HA 0.086 nan 4.420 nan 0.000 0.269 163 P C -0.932 176.418 177.300 0.082 0.000 1.209 163 P CA -0.227 62.923 63.100 0.084 0.000 0.776 163 P CB 0.412 32.157 31.700 0.076 0.000 0.876 164 E N 1.229 121.470 120.200 0.069 0.000 2.442 164 E HA -0.092 4.258 4.350 0.001 0.000 0.262 164 E C 1.224 177.874 176.600 0.083 0.000 1.004 164 E CA -0.033 56.405 56.400 0.063 0.000 0.928 164 E CB 0.413 30.142 29.700 0.048 0.000 0.937 164 E HN 0.269 nan 8.360 nan 0.000 0.446 165 R N 4.549 125.099 120.500 0.082 0.000 2.083 165 R HA -0.117 4.223 4.340 0.001 0.000 0.237 165 R C -0.942 175.421 176.300 0.104 0.000 1.137 165 R CA 1.863 58.027 56.100 0.107 0.000 0.951 165 R CB -1.223 29.109 30.300 0.053 0.000 0.851 165 R HN 0.385 nan 8.270 nan 0.000 0.434 166 P HA -0.094 nan 4.420 nan 0.000 0.220 166 P C 1.071 178.407 177.300 0.059 0.000 1.148 166 P CA 0.793 63.925 63.100 0.054 0.000 0.803 166 P CB -0.055 31.663 31.700 0.030 0.000 0.782 167 L N -1.022 120.235 121.223 0.056 0.000 2.072 167 L HA -0.070 4.271 4.340 0.001 0.000 0.205 167 L C 2.036 178.931 176.870 0.042 0.000 1.079 167 L CA 1.714 56.575 54.840 0.035 0.000 0.752 167 L CB -1.316 40.759 42.059 0.027 0.000 0.906 167 L HN -0.127 nan 8.230 nan 0.000 0.436 168 L N -0.725 120.550 121.223 0.087 0.000 2.083 168 L HA -0.203 4.138 4.340 0.001 0.000 0.209 168 L C 2.636 179.593 176.870 0.146 0.000 1.083 168 L CA 1.326 56.211 54.840 0.076 0.000 0.752 168 L CB -0.578 41.579 42.059 0.163 0.000 0.899 168 L HN 0.390 nan 8.230 nan 0.000 0.433 169 Q N 0.343 120.293 119.800 0.249 0.000 2.079 169 Q HA -0.151 4.189 4.340 0.001 0.000 0.200 169 Q C 2.191 178.259 176.000 0.113 0.000 0.974 169 Q CA 2.033 57.977 55.803 0.236 0.000 0.840 169 Q CB -0.231 28.599 28.738 0.153 0.000 0.898 169 Q HN 0.421 nan 8.270 nan 0.000 0.430 170 A N 0.062 122.920 122.820 0.062 0.000 1.902 170 A HA -0.123 4.197 4.320 0.001 0.000 0.217 170 A C 2.143 179.726 177.584 -0.000 0.000 1.181 170 A CA 1.445 53.495 52.037 0.022 0.000 0.623 170 A CB -0.699 18.303 19.000 0.004 0.000 0.818 170 A HN 0.467 nan 8.150 nan 0.000 0.443 171 I N -0.286 120.273 120.570 -0.019 0.000 2.179 171 I HA -0.268 3.902 4.170 0.001 0.000 0.242 171 I C 2.984 179.084 176.117 -0.028 0.000 1.088 171 I CA 1.019 62.286 61.300 -0.056 0.000 1.357 171 I CB -0.344 37.598 38.000 -0.097 0.000 1.051 171 I HN 0.354 nan 8.210 nan 0.000 0.409 172 A N 0.543 123.358 122.820 -0.009 0.000 1.908 172 A HA -0.252 4.069 4.320 0.001 0.000 0.218 172 A C 1.943 179.623 177.584 0.159 0.000 1.181 172 A CA 2.180 54.260 52.037 0.072 0.000 0.627 172 A CB -0.596 18.451 19.000 0.079 0.000 0.818 172 A HN 0.362 nan 8.150 nan 0.000 0.445 173 D N -0.994 119.456 120.400 0.083 0.000 2.144 173 D HA -0.109 4.531 4.640 0.001 0.000 0.200 173 D C 2.109 178.396 176.300 -0.022 0.000 0.978 173 D CA 1.372 55.392 54.000 0.032 0.000 0.833 173 D CB -0.260 40.555 40.800 0.025 0.000 0.961 173 D HN 0.379 nan 8.370 nan 0.000 0.470 174 R N 0.636 121.123 120.500 -0.022 0.000 2.075 174 R HA -0.032 4.308 4.340 0.001 0.000 0.232 174 R C 2.157 178.422 176.300 -0.059 0.000 1.126 174 R CA 1.150 57.223 56.100 -0.045 0.000 0.963 174 R CB -0.957 29.313 30.300 -0.051 0.000 0.858 174 R HN 0.125 nan 8.270 nan 0.000 0.435 175 C N 0.574 119.853 119.300 -0.034 0.000 2.425 175 C HA -0.035 4.425 4.460 0.001 0.000 0.277 175 C C 2.499 177.395 174.990 -0.157 0.000 1.280 175 C CA 1.076 60.078 59.018 -0.026 0.000 1.744 175 C CB -0.731 27.058 27.740 0.083 0.000 1.989 175 C HN 0.581 nan 8.230 nan 0.000 0.491 176 K N 0.891 121.083 120.400 -0.346 0.000 2.026 176 K HA -0.151 4.169 4.320 0.001 0.000 0.208 176 K C 2.122 178.544 176.600 -0.298 0.000 1.048 176 K CA 1.812 57.702 56.287 -0.662 0.000 0.929 176 K CB -0.182 31.977 32.500 -0.568 0.000 0.713 176 K HN 0.377 nan 8.250 nan 0.000 0.439 177 S N 0.844 116.438 115.700 -0.176 0.000 2.383 177 S HA -0.029 4.441 4.470 0.001 0.000 0.227 177 S C 1.539 176.085 174.600 -0.090 0.000 1.026 177 S CA 0.897 59.031 58.200 -0.110 0.000 0.981 177 S CB -0.019 63.136 63.200 -0.075 0.000 0.818 177 S HN 0.295 nan 8.310 nan 0.000 0.472 178 L N 1.309 122.480 121.223 -0.087 0.000 2.592 178 L HA 0.217 4.558 4.340 0.001 0.000 0.227 178 L C -0.237 176.598 176.870 -0.059 0.000 1.127 178 L CA -0.112 54.691 54.840 -0.062 0.000 0.884 178 L CB -0.441 41.588 42.059 -0.050 0.000 1.065 178 L HN 0.239 nan 8.230 nan 0.000 0.457 179 N N 1.216 119.866 118.700 -0.084 0.000 2.738 179 N HA -0.169 4.571 4.740 0.001 0.000 0.249 179 N C -0.440 175.055 175.510 -0.025 0.000 1.047 179 N CA 0.822 53.835 53.050 -0.061 0.000 0.707 179 N CB -1.501 36.962 38.487 -0.040 0.000 0.937 179 N HN 0.349 nan 8.380 nan 0.000 0.545 180 I N 0.571 121.130 120.570 -0.019 0.000 2.377 180 I HA 0.183 4.354 4.170 0.001 0.000 0.293 180 I C 0.515 176.667 176.117 0.060 0.000 0.987 180 I CA -0.640 60.661 61.300 0.001 0.000 1.185 180 I CB 1.192 39.180 38.000 -0.020 0.000 1.341 180 I HN -0.051 nan 8.210 nan 0.000 0.455 181 N N 5.744 124.461 118.700 0.028 0.000 2.497 181 N HA 0.200 4.941 4.740 0.001 0.000 0.271 181 N C -0.843 174.621 175.510 -0.077 0.000 1.142 181 N CA -0.345 52.743 53.050 0.064 0.000 0.965 181 N CB 1.793 40.280 38.487 -0.000 0.000 1.077 181 N HN 0.289 nan 8.380 nan 0.000 0.462 182 L N 4.156 125.346 121.223 -0.054 0.000 2.280 182 L HA 0.484 4.824 4.340 0.001 0.000 0.287 182 L C -1.074 175.670 176.870 -0.209 0.000 1.023 182 L CA -0.490 54.234 54.840 -0.194 0.000 0.819 182 L CB 0.683 42.615 42.059 -0.212 0.000 1.212 182 L HN 0.319 nan 8.230 nan 0.000 0.420 183 I N 6.286 126.628 120.570 -0.381 0.000 2.330 183 I HA 0.359 4.529 4.170 0.001 0.000 0.289 183 I C -0.592 175.386 176.117 -0.230 0.000 1.001 183 I CA -0.092 61.016 61.300 -0.320 0.000 1.193 183 I CB 1.338 38.942 38.000 -0.660 0.000 1.345 183 I HN 0.425 nan 8.210 nan 0.000 0.461 184 L N 5.434 126.574 121.223 -0.137 0.000 2.280 184 L HA 0.400 4.740 4.340 0.001 0.000 0.287 184 L C -0.251 176.609 176.870 -0.016 0.000 1.023 184 L CA -0.605 54.171 54.840 -0.106 0.000 0.819 184 L CB 1.131 43.093 42.059 -0.163 0.000 1.212 184 L HN 0.483 nan 8.230 nan 0.000 0.420 185 D N 3.718 124.135 120.400 0.028 0.000 2.393 185 D HA 0.051 4.692 4.640 0.001 0.000 0.232 185 D C 0.329 176.704 176.300 0.125 0.000 1.192 185 D CA 0.076 54.136 54.000 0.101 0.000 0.882 185 D CB 0.771 41.696 40.800 0.208 0.000 1.038 185 D HN 0.521 nan 8.370 nan 0.000 0.499 186 E N 2.256 122.505 120.200 0.082 0.000 2.423 186 E HA 0.146 4.497 4.350 0.001 0.000 0.198 186 E C 1.449 178.101 176.600 0.086 0.000 1.038 186 E CA -0.331 56.133 56.400 0.108 0.000 1.011 186 E CB 0.560 30.309 29.700 0.081 0.000 1.118 186 E HN 0.534 nan 8.360 nan 0.000 0.451 187 A N 0.337 123.187 122.820 0.050 0.000 1.958 187 A HA -0.187 4.133 4.320 0.001 0.000 0.221 187 A C 1.426 178.907 177.584 -0.172 0.000 1.178 187 A CA 1.360 53.323 52.037 -0.123 0.000 0.642 187 A CB -0.338 18.507 19.000 -0.258 0.000 0.816 187 A HN 0.317 nan 8.150 nan 0.000 0.453 188 F N -1.853 118.255 119.950 0.263 0.000 2.653 188 F HA 0.350 4.878 4.527 0.001 0.000 0.304 188 F C 1.502 177.548 175.800 0.409 0.000 1.092 188 F CA -0.284 57.983 58.000 0.444 0.000 1.279 188 F CB 0.188 39.466 39.000 0.463 0.000 1.044 188 F HN 0.150 nan 8.300 nan 0.000 0.564 189 I N 0.350 121.139 120.570 0.364 0.000 2.614 189 I HA -0.262 3.908 4.170 0.001 0.000 0.258 189 I C 1.154 177.399 176.117 0.214 0.000 1.189 189 I CA 1.398 62.864 61.300 0.276 0.000 1.462 189 I CB -0.079 38.038 38.000 0.196 0.000 1.092 189 I HN 0.066 nan 8.210 nan 0.000 0.442 190 D N 0.482 120.934 120.400 0.088 0.000 2.221 190 D HA -0.220 4.420 4.640 0.001 0.000 0.204 190 D C 1.693 177.997 176.300 0.006 0.000 0.982 190 D CA 1.393 55.260 54.000 -0.221 0.000 0.857 190 D CB -0.239 40.017 40.800 -0.907 0.000 0.934 190 D HN 0.355 nan 8.370 nan 0.000 0.475 191 F N 0.281 120.463 119.950 0.386 0.000 2.604 191 F HA 0.148 4.676 4.527 0.001 0.000 0.298 191 F C 0.774 176.814 175.800 0.400 0.000 1.131 191 F CA 0.289 58.636 58.000 0.578 0.000 1.457 191 F CB -0.023 39.276 39.000 0.499 0.000 1.095 191 F HN -0.096 nan 8.300 nan 0.000 0.574 192 I N 2.646 123.444 120.570 0.380 0.000 2.442 192 I HA 0.141 4.312 4.170 0.001 0.000 0.279 192 I C -1.401 174.705 176.117 -0.018 0.000 1.081 192 I CA -1.766 59.637 61.300 0.171 0.000 1.197 192 I CB 0.686 38.780 38.000 0.156 0.000 1.394 192 I HN -0.178 nan 8.210 nan 0.000 0.488 193 P HA -0.239 nan 4.420 nan 0.000 0.217 193 P C 0.985 177.919 177.300 -0.611 0.000 1.151 193 P CA 1.719 64.343 63.100 -0.794 0.000 0.849 193 P CB 0.006 30.898 31.700 -1.346 0.000 0.787 194 H N -0.794 118.151 119.070 -0.207 0.000 2.533 194 H HA 0.187 4.743 4.556 0.001 0.000 0.271 194 H C 0.281 175.561 175.328 -0.079 0.000 1.000 194 H CA 0.376 56.342 56.048 -0.136 0.000 1.149 194 H CB 0.234 29.933 29.762 -0.105 0.000 1.375 194 H HN 0.268 nan 8.280 nan 0.000 0.582 195 E N 1.099 121.303 120.200 0.006 0.000 2.134 195 E HA 0.080 4.431 4.350 0.001 0.000 0.278 195 E C 1.098 177.711 176.600 0.021 0.000 0.959 195 E CA -0.185 56.235 56.400 0.034 0.000 0.783 195 E CB 1.776 31.518 29.700 0.071 0.000 1.095 195 E HN 0.296 nan 8.360 nan 0.000 0.399 196 T N -0.225 114.335 114.554 0.011 0.000 3.067 196 T HA 0.235 4.586 4.350 0.001 0.000 0.257 196 T C 1.058 175.787 174.700 0.048 0.000 1.105 196 T CA 0.379 62.488 62.100 0.014 0.000 1.104 196 T CB 0.071 68.925 68.868 -0.023 0.000 0.925 196 T HN 0.667 nan 8.240 nan 0.000 0.498 197 G N 1.081 109.917 108.800 0.060 0.000 2.698 197 G HA2 -0.170 3.791 3.960 0.001 0.000 0.233 197 G HA3 -0.170 3.791 3.960 0.001 0.000 0.233 197 G C -0.095 174.847 174.900 0.070 0.000 1.352 197 G CA -0.113 45.075 45.100 0.148 0.000 0.879 197 G HN 0.244 nan 8.290 nan 0.000 0.567 198 F N 0.179 120.132 119.950 0.004 0.000 2.727 198 F HA 0.375 4.903 4.527 0.001 0.000 0.302 198 F C 2.602 178.388 175.800 -0.024 0.000 1.097 198 F CA 0.251 58.240 58.000 -0.019 0.000 1.330 198 F CB 0.030 39.001 39.000 -0.049 0.000 1.084 198 F HN 0.337 nan 8.300 nan 0.000 0.578 199 I N 1.030 121.666 120.570 0.109 0.000 2.248 199 I HA -0.236 3.934 4.170 0.001 0.000 0.248 199 I C -0.615 175.556 176.117 0.089 0.000 1.107 199 I CA 1.308 62.647 61.300 0.066 0.000 1.373 199 I CB -1.324 36.658 38.000 -0.031 0.000 1.055 199 I HN 0.006 nan 8.210 nan 0.000 0.418 200 P HA -0.068 nan 4.420 nan 0.000 0.230 200 P C 0.687 178.001 177.300 0.023 0.000 1.158 200 P CA 0.959 64.081 63.100 0.038 0.000 0.769 200 P CB 0.115 31.809 31.700 -0.010 0.000 0.807 201 A N -1.431 121.386 122.820 -0.004 0.000 2.430 201 A HA 0.192 4.513 4.320 0.001 0.000 0.243 201 A C 1.606 179.203 177.584 0.022 0.000 1.254 201 A CA -0.067 51.965 52.037 -0.008 0.000 0.914 201 A CB -0.867 18.081 19.000 -0.088 0.000 0.998 201 A HN 0.082 nan 8.150 nan 0.000 0.515 202 L N -0.787 120.449 121.223 0.021 0.000 2.291 202 L HA -0.112 4.229 4.340 0.001 0.000 0.214 202 L C 3.045 179.781 176.870 -0.223 0.000 1.120 202 L CA 1.172 55.932 54.840 -0.134 0.000 0.799 202 L CB -0.652 41.280 42.059 -0.213 0.000 0.925 202 L HN 0.490 nan 8.230 nan 0.000 0.446 203 K N 0.616 121.025 120.400 0.016 0.000 2.074 203 K HA -0.243 4.078 4.320 0.001 0.000 0.209 203 K C 1.486 178.072 176.600 -0.024 0.000 1.048 203 K CA 2.220 58.567 56.287 0.100 0.000 0.926 203 K CB -1.768 30.894 32.500 0.270 0.000 0.713 203 K HN 0.600 nan 8.250 nan 0.000 0.444 204 D N 0.393 120.786 120.400 -0.011 0.000 2.427 204 D HA 0.199 4.839 4.640 0.001 0.000 0.224 204 D C 0.062 176.358 176.300 -0.007 0.000 1.157 204 D CA -0.295 53.700 54.000 -0.008 0.000 0.828 204 D CB -0.047 40.763 40.800 0.016 0.000 0.974 204 D HN 0.436 nan 8.370 nan 0.000 0.498 205 N N 0.717 119.382 118.700 -0.060 0.000 2.716 205 N HA 0.156 4.896 4.740 0.001 0.000 0.245 205 N C -2.445 172.969 175.510 -0.161 0.000 1.495 205 N CA -0.787 52.266 53.050 0.004 0.000 0.759 205 N CB 2.350 40.828 38.487 -0.014 0.000 1.261 205 N HN 0.112 nan 8.380 nan 0.000 0.515 206 P HA -0.114 nan 4.420 nan 0.000 0.234 206 P C 0.692 177.835 177.300 -0.263 0.000 1.167 206 P CA 0.977 63.900 63.100 -0.295 0.000 0.763 206 P CB -0.116 31.457 31.700 -0.211 0.000 0.835 207 H N -2.088 116.855 119.070 -0.213 0.000 2.548 207 H HA 0.303 4.860 4.556 0.001 0.000 0.265 207 H C 0.816 176.081 175.328 -0.105 0.000 0.969 207 H CA -0.417 55.572 56.048 -0.099 0.000 1.155 207 H CB -0.540 29.192 29.762 -0.049 0.000 1.394 207 H HN 0.050 nan 8.280 nan 0.000 0.570 208 I N 1.270 121.413 120.570 -0.712 0.000 2.385 208 I HA 0.160 4.330 4.170 0.001 0.000 0.294 208 I C -1.076 174.713 176.117 -0.546 0.000 0.988 208 I CA -0.676 60.292 61.300 -0.553 0.000 1.265 208 I CB 0.950 38.630 38.000 -0.532 0.000 1.388 208 I HN 0.200 nan 8.210 nan 0.000 0.480 209 W N 5.113 126.250 121.300 -0.271 0.000 2.600 209 W HA 0.585 5.245 4.660 0.001 0.000 0.325 209 W C -0.988 175.433 176.519 -0.164 0.000 1.034 209 W CA -0.634 56.596 57.345 -0.192 0.000 1.226 209 W CB 1.555 30.907 29.460 -0.179 0.000 1.379 209 W HN -0.005 nan 8.180 nan 0.000 0.466 210 V N 4.956 124.902 119.914 0.053 0.000 2.459 210 V HA 0.472 4.592 4.120 0.001 0.000 0.295 210 V C -0.165 175.941 176.094 0.020 0.000 1.029 210 V CA -1.032 61.278 62.300 0.018 0.000 0.874 210 V CB 1.328 33.146 31.823 -0.007 0.000 0.985 210 V HN 0.371 nan 8.190 nan 0.000 0.438 211 L N 6.039 127.262 121.223 -0.001 0.000 2.307 211 L HA 0.704 5.044 4.340 0.001 0.000 0.284 211 L C -0.009 176.774 176.870 -0.145 0.000 1.023 211 L CA -0.543 54.274 54.840 -0.038 0.000 0.810 211 L CB 1.313 43.395 42.059 0.040 0.000 1.231 211 L HN 0.494 nan 8.230 nan 0.000 0.423 212 R N 1.471 121.763 120.500 -0.347 0.000 2.807 212 R HA 0.656 4.997 4.340 0.001 0.000 0.276 212 R C -1.097 174.991 176.300 -0.353 0.000 0.979 212 R CA -0.780 55.039 56.100 -0.469 0.000 0.928 212 R CB 2.174 31.850 30.300 -1.040 0.000 1.191 212 R HN 0.560 nan 8.270 nan 0.000 0.471 213 S N 0.703 116.294 115.700 -0.182 0.000 2.536 213 S HA 0.448 4.918 4.470 0.001 0.000 0.287 213 S C -0.059 174.581 174.600 0.068 0.000 1.101 213 S CA -0.498 57.667 58.200 -0.059 0.000 0.950 213 S CB 1.115 64.250 63.200 -0.109 0.000 1.056 213 S HN 0.452 nan 8.310 nan 0.000 0.481 214 L N 3.620 124.935 121.223 0.154 0.000 2.616 214 L HA 0.195 4.535 4.340 0.001 0.000 0.229 214 L C 2.515 179.541 176.870 0.261 0.000 1.110 214 L CA 0.843 55.860 54.840 0.295 0.000 0.884 214 L CB -0.065 42.118 42.059 0.206 0.000 1.115 214 L HN 0.925 nan 8.230 nan 0.000 0.481 215 T N -3.442 111.190 114.554 0.131 0.000 2.857 215 T HA -0.103 4.248 4.350 0.001 0.000 0.266 215 T C 1.872 176.652 174.700 0.133 0.000 1.048 215 T CA 0.655 62.818 62.100 0.105 0.000 1.139 215 T CB -0.037 68.860 68.868 0.049 0.000 0.874 215 T HN 0.093 nan 8.240 nan 0.000 0.455 216 K N 0.606 121.083 120.400 0.129 0.000 2.007 216 K HA 0.082 4.402 4.320 0.001 0.000 0.206 216 K C 1.998 178.838 176.600 0.401 0.000 1.047 216 K CA 0.911 57.357 56.287 0.264 0.000 0.937 216 K CB -0.973 31.653 32.500 0.212 0.000 0.718 216 K HN 0.433 nan 8.250 nan 0.000 0.438 217 F N 0.734 120.702 119.950 0.031 0.000 2.206 217 F HA -0.122 4.405 4.527 0.000 0.000 0.298 217 F C 1.402 177.083 175.800 -0.199 0.000 1.090 217 F CA 1.178 58.962 58.000 -0.361 0.000 1.323 217 F CB 0.052 38.584 39.000 -0.780 0.000 1.028 217 F HN -0.042 nan 8.300 nan 0.000 0.492 218 Y N -0.064 120.361 120.300 0.209 0.000 2.485 218 Y HA 0.501 5.052 4.550 0.001 0.000 0.260 218 Y C 1.265 177.054 175.900 -0.185 0.000 1.173 218 Y CA 0.093 58.137 58.100 -0.094 0.000 1.252 218 Y CB -0.414 37.939 38.460 -0.178 0.000 1.123 218 Y HN 0.068 nan 8.280 nan 0.000 0.524 219 A N 1.615 124.506 122.820 0.117 0.000 2.739 219 A HA -0.241 4.080 4.320 0.001 0.000 0.296 219 A C 0.496 178.084 177.584 0.007 0.000 1.488 219 A CA 1.359 53.443 52.037 0.079 0.000 0.746 219 A CB -2.529 16.540 19.000 0.114 0.000 1.047 219 A HN 0.748 nan 8.150 nan 0.000 0.477 220 I N -3.441 117.147 120.570 0.031 0.000 3.326 220 I HA 0.292 4.462 4.170 0.001 0.000 0.336 220 I C -1.071 175.059 176.117 0.022 0.000 1.543 220 I CA -1.145 60.158 61.300 0.004 0.000 1.013 220 I CB 0.628 38.616 38.000 -0.020 0.000 1.468 220 I HN 0.076 nan 8.210 nan 0.000 0.515 221 P HA -0.101 nan 4.420 nan 0.000 0.220 221 P C 1.604 178.915 177.300 0.020 0.000 1.148 221 P CA 1.784 64.902 63.100 0.031 0.000 0.803 221 P CB 0.103 31.825 31.700 0.038 0.000 0.782 222 G N -0.213 108.594 108.800 0.011 0.000 2.572 222 G HA2 -0.091 3.869 3.960 0.001 0.000 0.216 222 G HA3 -0.091 3.869 3.960 0.001 0.000 0.216 222 G C 1.595 176.497 174.900 0.003 0.000 1.133 222 G CA 0.037 45.141 45.100 0.005 0.000 0.791 222 G HN 0.233 nan 8.290 nan 0.000 0.538 223 L N -0.864 120.359 121.223 0.001 0.000 2.249 223 L HA 0.182 4.522 4.340 0.001 0.000 0.207 223 L C 0.416 177.292 176.870 0.011 0.000 1.090 223 L CA -0.062 54.777 54.840 -0.001 0.000 0.802 223 L CB 0.063 42.114 42.059 -0.012 0.000 0.947 223 L HN 0.128 nan 8.230 nan 0.000 0.453 224 R N 0.478 120.989 120.500 0.018 0.000 1.955 224 R HA -0.117 4.224 4.340 0.001 0.000 0.380 224 R C -1.273 175.047 176.300 0.032 0.000 1.164 224 R CA 0.268 56.384 56.100 0.027 0.000 0.888 224 R CB -1.928 28.388 30.300 0.028 0.000 2.758 224 R HN 0.142 nan 8.270 nan 0.000 0.488 225 L N 0.725 121.975 121.223 0.045 0.000 2.562 225 L HA 0.807 5.147 4.340 0.001 0.000 0.266 225 L C 0.007 176.939 176.870 0.103 0.000 0.949 225 L CA 0.460 55.338 54.840 0.064 0.000 0.879 225 L CB 2.250 44.337 42.059 0.047 0.000 1.278 225 L HN 0.741 nan 8.230 nan 0.000 0.404 226 G N 2.490 111.371 108.800 0.134 0.000 2.827 226 G HA2 0.734 4.694 3.960 0.001 0.000 0.296 226 G HA3 0.734 4.694 3.960 0.001 0.000 0.296 226 G C -2.026 173.046 174.900 0.287 0.000 1.362 226 G CA -0.192 44.996 45.100 0.146 0.000 0.809 226 G HN 0.846 nan 8.290 nan 0.000 0.522 227 Y N -2.439 117.905 120.300 0.074 0.000 2.677 227 Y HA 0.758 5.309 4.550 0.001 0.000 0.334 227 Y C -1.835 174.119 175.900 0.089 0.000 1.196 227 Y CA -1.512 56.636 58.100 0.081 0.000 1.059 227 Y CB 1.583 40.096 38.460 0.088 0.000 1.315 227 Y HN 0.686 nan 8.280 nan 0.000 0.455 228 L N 2.404 123.775 121.223 0.247 0.000 2.334 228 L HA 0.895 5.235 4.340 0.001 0.000 0.276 228 L C -1.433 175.573 176.870 0.226 0.000 1.014 228 L CA -0.854 54.106 54.840 0.199 0.000 0.815 228 L CB 1.966 44.165 42.059 0.234 0.000 1.268 228 L HN 0.656 nan 8.230 nan 0.000 0.428 229 V N 4.348 124.358 119.914 0.160 0.000 2.638 229 V HA 0.684 4.805 4.120 0.001 0.000 0.306 229 V C -0.848 175.183 176.094 -0.104 0.000 1.052 229 V CA -0.654 61.703 62.300 0.095 0.000 0.885 229 V CB 1.764 33.644 31.823 0.095 0.000 0.999 229 V HN 0.913 nan 8.190 nan 0.000 0.424 230 N N 1.351 119.888 118.700 -0.272 0.000 2.815 230 N HA 0.280 5.021 4.740 0.001 0.000 0.253 230 N C 0.185 175.151 175.510 -0.907 0.000 1.202 230 N CA 0.174 52.769 53.050 -0.759 0.000 0.925 230 N CB 2.134 39.752 38.487 -1.449 0.000 1.622 230 N HN 0.566 nan 8.380 nan 0.000 0.497 231 S N 0.438 115.407 115.700 -1.218 0.000 2.577 231 S HA 0.114 4.585 4.470 0.001 0.000 0.219 231 S C -0.012 174.073 174.600 -0.858 0.000 0.962 231 S CA -0.304 56.879 58.200 -1.695 0.000 0.921 231 S CB -0.167 61.883 63.200 -1.915 0.000 0.789 231 S HN 0.587 nan 8.310 nan 0.000 0.497 232 D N 2.182 122.211 120.400 -0.617 0.000 2.339 232 D HA 0.153 4.794 4.640 0.001 0.000 0.241 232 D C 0.159 176.352 176.300 -0.177 0.000 1.183 232 D CA -0.147 53.663 54.000 -0.316 0.000 0.859 232 D CB 0.987 41.635 40.800 -0.254 0.000 1.067 232 D HN 0.013 nan 8.370 nan 0.000 0.484 233 D N 3.404 123.756 120.400 -0.080 0.000 2.092 233 D HA -0.188 4.452 4.640 0.001 0.000 0.193 233 D C 1.724 178.042 176.300 0.029 0.000 0.994 233 D CA 1.547 55.553 54.000 0.010 0.000 0.828 233 D CB -0.137 40.691 40.800 0.046 0.000 0.963 233 D HN 0.583 nan 8.370 nan 0.000 0.450 234 A N 1.090 123.926 122.820 0.027 0.000 1.902 234 A HA -0.032 4.288 4.320 0.001 0.000 0.217 234 A C 2.325 179.955 177.584 0.076 0.000 1.181 234 A CA 2.313 54.378 52.037 0.047 0.000 0.623 234 A CB -0.656 18.368 19.000 0.040 0.000 0.818 234 A HN 0.254 nan 8.150 nan 0.000 0.443 235 A N -1.102 121.776 122.820 0.097 0.000 1.898 235 A HA -0.059 4.262 4.320 0.001 0.000 0.216 235 A C 2.157 179.889 177.584 0.248 0.000 1.181 235 A CA 1.822 53.983 52.037 0.208 0.000 0.620 235 A CB -0.442 18.773 19.000 0.358 0.000 0.819 235 A HN 0.402 nan 8.150 nan 0.000 0.442 236 M N -0.311 119.387 119.600 0.163 0.000 2.175 236 M HA -0.083 4.397 4.480 0.001 0.000 0.264 236 M C 2.474 178.853 176.300 0.132 0.000 1.063 236 M CA 1.432 56.830 55.300 0.163 0.000 1.119 236 M CB -1.442 31.203 32.600 0.074 0.000 1.377 236 M HN 0.495 nan 8.290 nan 0.000 0.415 237 A N -0.131 122.750 122.820 0.103 0.000 1.902 237 A HA -0.206 4.115 4.320 0.001 0.000 0.217 237 A C 2.353 179.987 177.584 0.083 0.000 1.181 237 A CA 1.920 54.009 52.037 0.087 0.000 0.623 237 A CB -0.721 18.321 19.000 0.071 0.000 0.818 237 A HN 0.489 nan 8.150 nan 0.000 0.443 238 R N -1.191 119.363 120.500 0.089 0.000 2.092 238 R HA -0.104 4.236 4.340 0.001 0.000 0.231 238 R C 2.025 178.371 176.300 0.077 0.000 1.119 238 R CA 1.641 57.785 56.100 0.073 0.000 0.970 238 R CB -0.259 30.084 30.300 0.071 0.000 0.864 238 R HN 0.399 nan 8.270 nan 0.000 0.440 239 M N 0.408 120.073 119.600 0.109 0.000 2.149 239 M HA -0.164 4.317 4.480 0.001 0.000 0.261 239 M C 2.071 178.427 176.300 0.094 0.000 1.064 239 M CA 1.650 57.013 55.300 0.104 0.000 1.102 239 M CB -0.812 31.887 32.600 0.165 0.000 1.369 239 M HN 0.184 nan 8.290 nan 0.000 0.408 240 R N -0.423 120.136 120.500 0.098 0.000 2.120 240 R HA -0.089 4.251 4.340 0.001 0.000 0.234 240 R C 2.275 178.613 176.300 0.064 0.000 1.123 240 R CA 0.997 57.154 56.100 0.094 0.000 0.975 240 R CB -0.207 30.155 30.300 0.104 0.000 0.866 240 R HN 0.457 nan 8.270 nan 0.000 0.446 241 R N -0.058 120.471 120.500 0.050 0.000 2.119 241 R HA -0.079 4.261 4.340 0.001 0.000 0.222 241 R C 2.211 178.525 176.300 0.024 0.000 1.088 241 R CA 0.846 56.961 56.100 0.026 0.000 0.984 241 R CB -0.067 30.246 30.300 0.023 0.000 0.884 241 R HN 0.061 nan 8.270 nan 0.000 0.447 242 Q N 1.437 121.259 119.800 0.036 0.000 2.123 242 Q HA -0.083 4.258 4.340 0.001 0.000 0.199 242 Q C 0.521 176.546 176.000 0.042 0.000 0.966 242 Q CA 1.307 57.131 55.803 0.035 0.000 0.845 242 Q CB 0.110 28.869 28.738 0.036 0.000 0.907 242 Q HN 0.174 nan 8.270 nan 0.000 0.439 243 Q N 0.404 120.236 119.800 0.052 0.000 2.314 243 Q HA 0.132 4.472 4.340 0.001 0.000 0.258 243 Q C -0.487 175.537 176.000 0.041 0.000 0.954 243 Q CA -0.286 55.552 55.803 0.059 0.000 0.890 243 Q CB 0.622 29.406 28.738 0.077 0.000 1.210 243 Q HN 0.430 nan 8.270 nan 0.000 0.410 244 M N 5.062 124.689 119.600 0.044 0.000 2.250 244 M HA 0.146 4.627 4.480 0.001 0.000 0.337 244 M C -2.108 174.208 176.300 0.027 0.000 1.161 244 M CA -1.137 54.184 55.300 0.035 0.000 1.088 244 M CB 0.566 33.202 32.600 0.060 0.000 1.639 244 M HN 0.447 nan 8.290 nan 0.000 0.447 245 P HA -0.053 nan 4.420 nan 0.000 0.268 245 P C -1.008 176.335 177.300 0.071 0.000 1.205 245 P CA 0.385 63.335 63.100 -0.249 0.000 0.771 245 P CB 0.184 31.456 31.700 -0.714 0.000 0.858 246 W N 0.273 121.712 121.300 0.232 0.000 5.121 246 W HA -0.189 4.471 4.660 0.001 0.000 0.372 246 W C 1.099 177.774 176.519 0.261 0.000 1.394 246 W CA 1.045 58.570 57.345 0.301 0.000 0.885 246 W CB -2.766 26.852 29.460 0.264 0.000 2.520 246 W HN 0.503 nan 8.180 nan 0.000 1.455 247 S N -1.526 114.389 115.700 0.357 0.000 2.461 247 S HA 0.136 4.606 4.470 0.001 0.000 0.228 247 S C 0.633 175.320 174.600 0.145 0.000 1.005 247 S CA 0.817 59.141 58.200 0.206 0.000 0.942 247 S CB 0.211 63.480 63.200 0.116 0.000 0.776 247 S HN 0.013 nan 8.310 nan 0.000 0.514 248 V N 4.224 124.203 119.914 0.109 0.000 2.406 248 V HA 0.320 4.440 4.120 0.001 0.000 0.272 248 V C 0.221 176.442 176.094 0.211 0.000 1.043 248 V CA -0.944 61.365 62.300 0.015 0.000 0.915 248 V CB 0.460 32.054 31.823 -0.380 0.000 0.988 248 V HN 0.701 nan 8.190 nan 0.000 0.466 249 N N 4.711 123.491 118.700 0.133 0.000 2.399 249 N HA 0.334 5.074 4.740 0.001 0.000 0.250 249 N C 1.060 176.649 175.510 0.131 0.000 1.272 249 N CA 0.191 53.317 53.050 0.127 0.000 0.928 249 N CB 1.022 39.545 38.487 0.059 0.000 1.158 249 N HN 0.558 nan 8.380 nan 0.000 0.463 250 A N 0.827 123.702 122.820 0.092 0.000 1.972 250 A HA -0.079 4.242 4.320 0.001 0.000 0.219 250 A C 2.017 179.626 177.584 0.043 0.000 1.169 250 A CA 0.995 53.076 52.037 0.074 0.000 0.635 250 A CB -0.919 18.094 19.000 0.022 0.000 0.810 250 A HN 0.704 nan 8.150 nan 0.000 0.446 251 L N -1.114 120.120 121.223 0.018 0.000 2.109 251 L HA -0.099 4.242 4.340 0.001 0.000 0.207 251 L C 3.074 179.940 176.870 -0.006 0.000 1.086 251 L CA 0.851 55.688 54.840 -0.004 0.000 0.760 251 L CB -0.621 41.428 42.059 -0.017 0.000 0.910 251 L HN 0.414 nan 8.230 nan 0.000 0.437 252 A N 0.455 123.279 122.820 0.008 0.000 1.908 252 A HA -0.190 4.130 4.320 0.001 0.000 0.218 252 A C 2.550 180.132 177.584 -0.004 0.000 1.181 252 A CA 1.845 53.881 52.037 -0.001 0.000 0.627 252 A CB -0.656 18.352 19.000 0.013 0.000 0.818 252 A HN 0.392 nan 8.150 nan 0.000 0.445 253 A N -0.615 122.225 122.820 0.034 0.000 1.902 253 A HA -0.023 4.298 4.320 0.001 0.000 0.217 253 A C 2.122 179.708 177.584 0.003 0.000 1.181 253 A CA 1.714 53.777 52.037 0.043 0.000 0.623 253 A CB -0.615 18.475 19.000 0.150 0.000 0.818 253 A HN 0.677 nan 8.150 nan 0.000 0.443 254 L N -0.163 121.060 121.223 0.000 0.000 2.046 254 L HA -0.084 4.257 4.340 0.001 0.000 0.208 254 L C 2.649 179.477 176.870 -0.070 0.000 1.077 254 L CA 2.216 57.040 54.840 -0.027 0.000 0.747 254 L CB -0.808 41.237 42.059 -0.023 0.000 0.896 254 L HN 0.345 nan 8.230 nan 0.000 0.432 255 A N -0.681 122.090 122.820 -0.082 0.000 1.930 255 A HA -0.043 4.277 4.320 0.001 0.000 0.217 255 A C 2.275 179.749 177.584 -0.182 0.000 1.175 255 A CA 1.359 53.316 52.037 -0.134 0.000 0.627 255 A CB -1.498 17.427 19.000 -0.124 0.000 0.815 255 A HN 0.517 nan 8.150 nan 0.000 0.443 256 G N -0.921 107.792 108.800 -0.144 0.000 2.559 256 G HA2 -0.078 3.882 3.960 0.001 0.000 0.216 256 G HA3 -0.078 3.882 3.960 0.001 0.000 0.216 256 G C 1.245 176.032 174.900 -0.189 0.000 1.126 256 G CA 0.848 45.842 45.100 -0.176 0.000 0.778 256 G HN 0.655 nan 8.290 nan 0.000 0.543 257 E N -0.795 119.317 120.200 -0.146 0.000 2.385 257 E HA 0.080 4.430 4.350 0.001 0.000 0.194 257 E C 2.345 178.856 176.600 -0.148 0.000 1.013 257 E CA 0.638 56.959 56.400 -0.132 0.000 0.866 257 E CB 0.438 30.086 29.700 -0.086 0.000 0.832 257 E HN 0.454 nan 8.360 nan 0.000 0.500 258 V N -4.275 115.535 119.914 -0.174 0.000 3.473 258 V HA 0.382 4.502 4.120 0.001 0.000 0.253 258 V C 2.012 177.972 176.094 -0.224 0.000 1.340 258 V CA 0.424 62.625 62.300 -0.166 0.000 1.103 258 V CB 0.281 32.026 31.823 -0.131 0.000 0.881 258 V HN 0.099 nan 8.190 nan 0.000 0.451 259 A N 1.599 124.210 122.820 -0.348 0.000 1.908 259 A HA -0.046 4.275 4.320 0.001 0.000 0.218 259 A C 2.104 179.361 177.584 -0.545 0.000 1.181 259 A CA 2.287 53.991 52.037 -0.555 0.000 0.627 259 A CB -0.797 17.629 19.000 -0.956 0.000 0.818 259 A HN 0.585 nan 8.150 nan 0.000 0.445 260 L N -1.249 119.675 121.223 -0.498 0.000 2.456 260 L HA -0.121 4.220 4.340 0.001 0.000 0.224 260 L C 2.762 179.584 176.870 -0.080 0.000 1.148 260 L CA 1.004 55.628 54.840 -0.361 0.000 0.825 260 L CB -0.581 41.077 42.059 -0.669 0.000 0.937 260 L HN 0.666 nan 8.230 nan 0.000 0.450 261 Q N -0.937 118.825 119.800 -0.064 0.000 2.198 261 Q HA 0.027 4.368 4.340 0.001 0.000 0.209 261 Q C 0.387 176.414 176.000 0.046 0.000 0.848 261 Q CA 0.105 55.918 55.803 0.018 0.000 0.974 261 Q CB -0.016 28.714 28.738 -0.014 0.000 1.115 261 Q HN 0.219 nan 8.270 nan 0.000 0.494 262 D N -0.008 120.434 120.400 0.071 0.000 2.522 262 D HA 0.413 5.053 4.640 0.001 0.000 0.218 262 D C 1.303 177.716 176.300 0.188 0.000 1.149 262 D CA 0.611 54.681 54.000 0.117 0.000 0.981 262 D CB 0.494 41.361 40.800 0.113 0.000 1.041 262 D HN 0.408 nan 8.370 nan 0.000 0.518 263 S N 2.135 117.920 115.700 0.142 0.000 2.383 263 S HA -0.179 4.292 4.470 0.001 0.000 0.229 263 S C 1.933 176.605 174.600 0.120 0.000 1.030 263 S CA 1.626 59.911 58.200 0.143 0.000 1.002 263 S CB -0.054 63.220 63.200 0.123 0.000 0.829 263 S HN 0.469 nan 8.310 nan 0.000 0.467 264 A N 0.309 123.198 122.820 0.114 0.000 1.883 264 A HA -0.119 4.201 4.320 0.001 0.000 0.217 264 A C 2.056 179.692 177.584 0.087 0.000 1.186 264 A CA 1.672 53.763 52.037 0.089 0.000 0.624 264 A CB -0.983 18.070 19.000 0.088 0.000 0.822 264 A HN 0.886 nan 8.150 nan 0.000 0.444 265 W N 0.763 122.027 121.300 -0.061 0.000 2.381 265 W HA -0.189 4.471 4.660 0.001 0.000 0.301 265 W C 2.098 178.455 176.519 -0.271 0.000 1.205 265 W CA 1.939 59.201 57.345 -0.139 0.000 1.285 265 W CB -0.422 28.990 29.460 -0.080 0.000 1.133 265 W HN 0.553 nan 8.180 nan 0.000 0.521 266 Q N 0.013 119.778 119.800 -0.058 0.000 2.061 266 Q HA -0.272 4.068 4.340 0.001 0.000 0.204 266 Q C 2.281 177.851 176.000 -0.716 0.000 0.984 266 Q CA 1.695 57.175 55.803 -0.539 0.000 0.846 266 Q CB -0.570 27.896 28.738 -0.454 0.000 0.902 266 Q HN 0.209 nan 8.270 nan 0.000 0.421 267 Q N 0.129 119.819 119.800 -0.183 0.000 2.084 267 Q HA -0.114 4.227 4.340 0.001 0.000 0.202 267 Q C 2.135 178.157 176.000 0.037 0.000 0.978 267 Q CA 1.576 57.439 55.803 0.100 0.000 0.844 267 Q CB -0.430 28.392 28.738 0.139 0.000 0.898 267 Q HN 0.418 nan 8.270 nan 0.000 0.426 268 A N 0.284 123.032 122.820 -0.120 0.000 1.933 268 A HA -0.136 4.185 4.320 0.001 0.000 0.218 268 A C 2.318 179.819 177.584 -0.139 0.000 1.175 268 A CA 1.879 53.839 52.037 -0.130 0.000 0.628 268 A CB -0.649 18.204 19.000 -0.246 0.000 0.814 268 A HN 0.378 nan 8.150 nan 0.000 0.444 269 T N -1.263 113.041 114.554 -0.416 0.000 2.737 269 T HA -0.140 4.211 4.350 0.001 0.000 0.265 269 T C 1.639 176.429 174.700 0.150 0.000 1.038 269 T CA 1.147 63.046 62.100 -0.335 0.000 1.144 269 T CB -0.292 67.970 68.868 -1.010 0.000 0.866 269 T HN 0.688 nan 8.240 nan 0.000 0.434 270 W N 1.659 123.073 121.300 0.189 0.000 2.388 270 W HA -0.032 4.629 4.660 0.000 0.000 0.294 270 W C 2.372 178.983 176.519 0.154 0.000 1.212 270 W CA 0.462 57.924 57.345 0.195 0.000 1.271 270 W CB -1.301 28.255 29.460 0.161 0.000 1.126 270 W HN 0.495 nan 8.180 nan 0.000 0.535 271 H N -1.054 118.193 119.070 0.296 0.000 2.326 271 H HA -0.222 4.335 4.556 0.001 0.000 0.301 271 H C 2.165 177.591 175.328 0.163 0.000 1.081 271 H CA 2.352 58.514 56.048 0.191 0.000 1.334 271 H CB -0.806 29.044 29.762 0.148 0.000 1.385 271 H HN 0.192 nan 8.280 nan 0.000 0.504 272 W N 1.600 122.941 121.300 0.067 0.000 2.335 272 W HA -0.231 4.429 4.660 0.001 0.000 0.311 272 W C 2.283 178.792 176.519 -0.016 0.000 1.213 272 W CA 1.508 58.844 57.345 -0.015 0.000 1.274 272 W CB -0.852 28.574 29.460 -0.056 0.000 1.148 272 W HN 0.229 nan 8.180 nan 0.000 0.498 273 L N 1.701 122.634 121.223 -0.483 0.000 2.056 273 L HA -0.070 4.271 4.340 0.001 0.000 0.207 273 L C 2.680 179.312 176.870 -0.397 0.000 1.078 273 L CA 2.459 56.818 54.840 -0.802 0.000 0.749 273 L CB -1.278 40.583 42.059 -0.330 0.000 0.901 273 L HN 0.065 nan 8.230 nan 0.000 0.433 274 R N 0.040 120.434 120.500 -0.177 0.000 2.073 274 R HA -0.137 4.203 4.340 0.001 0.000 0.234 274 R C 2.104 178.303 176.300 -0.168 0.000 1.134 274 R CA 2.019 58.046 56.100 -0.121 0.000 0.952 274 R CB -0.408 29.865 30.300 -0.045 0.000 0.850 274 R HN 0.554 nan 8.270 nan 0.000 0.433 275 E N -0.524 119.534 120.200 -0.237 0.000 2.008 275 E HA -0.164 4.187 4.350 0.001 0.000 0.191 275 E C 1.875 178.385 176.600 -0.150 0.000 0.986 275 E CA 1.246 57.529 56.400 -0.195 0.000 0.807 275 E CB -0.195 29.353 29.700 -0.254 0.000 0.766 275 E HN 0.256 nan 8.360 nan 0.000 0.450 276 E N 0.669 120.738 120.200 -0.219 0.000 2.106 276 E HA -0.094 4.256 4.350 0.001 0.000 0.192 276 E C 1.955 178.460 176.600 -0.157 0.000 0.984 276 E CA 1.329 57.630 56.400 -0.164 0.000 0.806 276 E CB -0.562 29.041 29.700 -0.162 0.000 0.750 276 E HN 0.263 nan 8.360 nan 0.000 0.458 277 G N 0.439 109.053 108.800 -0.311 0.000 2.446 277 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 277 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 277 G C 1.718 176.626 174.900 0.013 0.000 1.168 277 G CA 1.279 46.276 45.100 -0.172 0.000 0.771 277 G HN 0.447 nan 8.290 nan 0.000 0.551 278 A N 0.579 123.387 122.820 -0.020 0.000 1.898 278 A HA 0.032 4.352 4.320 0.001 0.000 0.216 278 A C 2.444 180.104 177.584 0.127 0.000 1.181 278 A CA 1.579 53.653 52.037 0.061 0.000 0.620 278 A CB -0.361 18.648 19.000 0.014 0.000 0.819 278 A HN 0.357 nan 8.150 nan 0.000 0.442 279 R N -2.026 118.527 120.500 0.089 0.000 2.081 279 R HA -0.102 4.239 4.340 0.001 0.000 0.235 279 R C 1.996 178.404 176.300 0.181 0.000 1.131 279 R CA 1.560 57.723 56.100 0.105 0.000 0.960 279 R CB -0.463 29.884 30.300 0.079 0.000 0.856 279 R HN 0.562 nan 8.270 nan 0.000 0.436 280 F N 0.554 120.521 119.950 0.029 0.000 2.113 280 F HA -0.237 4.291 4.527 0.001 0.000 0.297 280 F C 2.173 178.005 175.800 0.054 0.000 1.103 280 F CA 1.152 59.178 58.000 0.043 0.000 1.248 280 F CB -0.786 38.252 39.000 0.064 0.000 0.999 280 F HN -0.017 nan 8.300 nan 0.000 0.475 281 Y N 1.149 121.443 120.300 -0.010 0.000 2.128 281 Y HA -0.279 4.271 4.550 0.001 0.000 0.284 281 Y C 2.495 178.324 175.900 -0.118 0.000 1.154 281 Y CA 2.285 60.305 58.100 -0.135 0.000 1.149 281 Y CB -0.757 37.662 38.460 -0.069 0.000 0.976 281 Y HN 0.096 nan 8.280 nan 0.000 0.505 282 Q N 0.362 120.091 119.800 -0.118 0.000 2.096 282 Q HA -0.196 4.145 4.340 0.001 0.000 0.204 282 Q C 2.592 178.463 176.000 -0.215 0.000 0.982 282 Q CA 1.644 57.321 55.803 -0.211 0.000 0.850 282 Q CB -0.960 27.759 28.738 -0.032 0.000 0.901 282 Q HN 0.653 nan 8.270 nan 0.000 0.422 283 A N 0.741 123.486 122.820 -0.126 0.000 1.877 283 A HA -0.146 4.175 4.320 0.001 0.000 0.216 283 A C 2.290 179.759 177.584 -0.192 0.000 1.186 283 A CA 1.193 53.166 52.037 -0.108 0.000 0.620 283 A CB -0.769 18.225 19.000 -0.009 0.000 0.822 283 A HN 0.324 nan 8.150 nan 0.000 0.443 284 L N -0.826 120.217 121.223 -0.300 0.000 2.083 284 L HA -0.244 4.096 4.340 0.001 0.000 0.209 284 L C 2.593 179.277 176.870 -0.310 0.000 1.083 284 L CA 1.134 55.773 54.840 -0.335 0.000 0.752 284 L CB -0.650 41.135 42.059 -0.457 0.000 0.899 284 L HN 0.473 nan 8.230 nan 0.000 0.433 285 C N -0.370 118.688 119.300 -0.403 0.000 2.419 285 C HA -0.123 4.338 4.460 0.001 0.000 0.283 285 C C 2.704 177.550 174.990 -0.241 0.000 1.373 285 C CA 0.374 59.166 59.018 -0.377 0.000 1.781 285 C CB -0.804 26.622 27.740 -0.523 0.000 1.886 285 C HN 0.547 nan 8.230 nan 0.000 0.520 286 Q N 0.402 120.082 119.800 -0.201 0.000 2.378 286 Q HA 0.180 4.520 4.340 0.001 0.000 0.205 286 Q C 0.736 176.665 176.000 -0.119 0.000 0.954 286 Q CA 0.530 56.250 55.803 -0.138 0.000 0.901 286 Q CB -0.310 28.362 28.738 -0.109 0.000 0.981 286 Q HN 0.642 nan 8.270 nan 0.000 0.483 287 L N 4.261 125.405 121.223 -0.132 0.000 2.410 287 L HA 0.150 4.491 4.340 0.001 0.000 0.273 287 L C -1.823 174.986 176.870 -0.101 0.000 1.152 287 L CA -1.574 53.200 54.840 -0.110 0.000 0.855 287 L CB -0.015 41.973 42.059 -0.119 0.000 1.129 287 L HN -0.043 nan 8.230 nan 0.000 0.463 288 P HA 0.110 nan 4.420 nan 0.000 0.272 288 P C 0.675 177.932 177.300 -0.071 0.000 1.223 288 P CA 0.026 63.084 63.100 -0.070 0.000 0.784 288 P CB 1.177 32.843 31.700 -0.056 0.000 0.923 289 L N 0.151 121.335 121.223 -0.065 0.000 5.081 289 L HA -0.224 4.116 4.340 0.001 0.000 0.423 289 L C 0.274 177.100 176.870 -0.073 0.000 1.019 289 L CA 1.429 56.233 54.840 -0.060 0.000 1.223 289 L CB -2.915 39.113 42.059 -0.052 0.000 1.940 289 L HN 0.379 nan 8.230 nan 0.000 0.675 290 L N 0.581 121.748 121.223 -0.093 0.000 2.325 290 L HA 0.748 5.088 4.340 0.001 0.000 0.278 290 L C 0.570 177.358 176.870 -0.137 0.000 1.023 290 L CA -0.192 54.582 54.840 -0.110 0.000 0.811 290 L CB 1.918 43.900 42.059 -0.129 0.000 1.249 290 L HN 0.399 nan 8.230 nan 0.000 0.431 291 T N 2.300 116.759 114.554 -0.159 0.000 2.812 291 T HA 0.510 4.861 4.350 0.001 0.000 0.282 291 T C -0.506 173.991 174.700 -0.338 0.000 0.990 291 T CA -0.362 61.588 62.100 -0.249 0.000 0.960 291 T CB 1.893 70.620 68.868 -0.235 0.000 0.948 291 T HN 0.175 nan 8.240 nan 0.000 0.438 292 V N 4.251 123.949 119.914 -0.361 0.000 2.448 292 V HA 0.443 4.564 4.120 0.001 0.000 0.295 292 V C -1.009 174.953 176.094 -0.219 0.000 1.025 292 V CA -1.067 61.092 62.300 -0.236 0.000 0.859 292 V CB 0.924 32.635 31.823 -0.186 0.000 0.988 292 V HN 0.803 nan 8.190 nan 0.000 0.431 293 Y N 5.456 125.868 120.300 0.188 0.000 2.301 293 Y HA 0.392 4.942 4.550 -0.000 0.000 0.325 293 Y C -1.658 174.335 175.900 0.156 0.000 1.203 293 Y CA -2.448 55.766 58.100 0.190 0.000 1.255 293 Y CB 0.959 39.531 38.460 0.186 0.000 1.232 293 Y HN 0.421 nan 8.280 nan 0.000 0.501 294 P HA 0.080 nan 4.420 nan 0.000 0.244 294 P C 0.145 177.356 177.300 -0.147 0.000 1.769 294 P CA -0.031 62.983 63.100 -0.144 0.000 1.102 294 P CB -0.164 31.437 31.700 -0.165 0.000 1.937 295 G N 2.990 111.705 108.800 -0.141 0.000 2.491 295 G HA2 0.018 3.979 3.960 0.001 0.000 0.238 295 G HA3 0.018 3.979 3.960 0.001 0.000 0.238 295 G C 0.920 175.660 174.900 -0.266 0.000 1.277 295 G CA -0.491 44.479 45.100 -0.217 0.000 0.851 295 G HN 0.260 nan 8.290 nan 0.000 0.573 296 R N 1.096 121.447 120.500 -0.249 0.000 2.308 296 R HA 0.285 4.626 4.340 0.001 0.000 0.202 296 R C 1.222 177.437 176.300 -0.143 0.000 0.898 296 R CA 0.584 56.589 56.100 -0.158 0.000 1.046 296 R CB -0.001 30.264 30.300 -0.059 0.000 1.026 296 R HN 0.543 nan 8.270 nan 0.000 0.512 297 A N 1.906 124.532 122.820 -0.322 0.000 3.837 297 A HA 0.242 4.563 4.320 0.001 0.000 0.159 297 A C 0.205 177.511 177.584 -0.462 0.000 1.157 297 A CA -0.398 51.478 52.037 -0.269 0.000 0.890 297 A CB 0.161 19.077 19.000 -0.139 0.000 1.553 297 A HN 0.238 nan 8.150 nan 0.000 0.642 298 N N -0.191 118.171 118.700 -0.564 0.000 2.597 298 N HA 0.264 5.004 4.740 0.001 0.000 0.269 298 N C -0.908 174.596 175.510 -0.009 0.000 1.204 298 N CA 0.062 52.918 53.050 -0.323 0.000 0.947 298 N CB -0.416 37.820 38.487 -0.419 0.000 1.258 298 N HN 0.618 nan 8.380 nan 0.000 0.508 299 Y N -2.862 117.366 120.300 -0.119 0.000 2.677 299 Y HA 0.668 5.218 4.550 0.000 0.000 0.334 299 Y C -1.858 174.053 175.900 0.018 0.000 1.196 299 Y CA -1.509 56.585 58.100 -0.010 0.000 1.059 299 Y CB 1.001 39.403 38.460 -0.097 0.000 1.315 299 Y HN -0.158 nan 8.280 nan 0.000 0.455 300 L N 2.655 124.021 121.223 0.237 0.000 2.431 300 L HA 0.524 4.865 4.340 0.001 0.000 0.266 300 L C -1.387 175.622 176.870 0.231 0.000 0.978 300 L CA -1.077 53.861 54.840 0.164 0.000 0.822 300 L CB 2.331 44.462 42.059 0.121 0.000 1.310 300 L HN 0.714 nan 8.230 nan 0.000 0.409 301 L N 3.974 125.344 121.223 0.245 0.000 2.292 301 L HA 0.575 4.916 4.340 0.001 0.000 0.284 301 L C -0.956 176.135 176.870 0.368 0.000 1.065 301 L CA 0.234 55.240 54.840 0.276 0.000 0.806 301 L CB 0.883 43.062 42.059 0.199 0.000 1.175 301 L HN 0.398 nan 8.230 nan 0.000 0.431 302 L N 5.312 126.717 121.223 0.304 0.000 2.362 302 L HA 0.640 4.980 4.340 0.001 0.000 0.271 302 L C -0.350 176.644 176.870 0.207 0.000 1.002 302 L CA -0.821 54.143 54.840 0.208 0.000 0.818 302 L CB 1.880 44.016 42.059 0.130 0.000 1.298 302 L HN 0.599 nan 8.230 nan 0.000 0.420 303 R N 1.612 122.144 120.500 0.052 0.000 2.439 303 R HA 0.448 4.788 4.340 0.001 0.000 0.310 303 R C -1.288 174.944 176.300 -0.113 0.000 0.955 303 R CA -0.416 55.559 56.100 -0.210 0.000 0.853 303 R CB 1.661 31.808 30.300 -0.255 0.000 1.171 303 R HN 0.773 nan 8.270 nan 0.000 0.449 304 C N 4.501 123.767 119.300 -0.057 0.000 2.325 304 C HA 0.404 4.864 4.460 0.001 0.000 0.347 304 C C 1.680 176.645 174.990 -0.043 0.000 1.263 304 C CA 0.327 59.335 59.018 -0.016 0.000 1.806 304 C CB 0.331 28.109 27.740 0.063 0.000 2.405 304 C HN 1.077 nan 8.230 nan 0.000 0.537 305 E N 4.482 124.654 120.200 -0.046 0.000 2.118 305 E HA -0.134 4.216 4.350 0.001 0.000 0.195 305 E C 1.096 177.687 176.600 -0.015 0.000 0.992 305 E CA 1.123 57.503 56.400 -0.033 0.000 0.804 305 E CB -0.138 29.543 29.700 -0.032 0.000 0.741 305 E HN 0.779 nan 8.360 nan 0.000 0.458 306 R N 0.390 120.883 120.500 -0.010 0.000 2.248 306 R HA 0.366 4.707 4.340 0.001 0.000 0.337 306 R C 1.429 177.740 176.300 0.018 0.000 1.106 306 R CA 0.622 56.722 56.100 0.000 0.000 0.959 306 R CB 0.389 30.684 30.300 -0.007 0.000 1.075 306 R HN 0.596 nan 8.270 nan 0.000 0.480 307 E N 2.825 123.038 120.200 0.021 0.000 2.204 307 E HA -0.173 4.177 4.350 0.001 0.000 0.195 307 E C 1.047 177.671 176.600 0.039 0.000 0.990 307 E CA 1.587 58.008 56.400 0.035 0.000 0.821 307 E CB -0.361 29.357 29.700 0.031 0.000 0.750 307 E HN 0.690 nan 8.360 nan 0.000 0.477 308 D N -0.614 119.801 120.400 0.025 0.000 2.371 308 D HA 0.000 4.641 4.640 0.001 0.000 0.221 308 D C 0.628 176.940 176.300 0.020 0.000 0.986 308 D CA 0.073 54.085 54.000 0.019 0.000 0.899 308 D CB -0.117 40.688 40.800 0.009 0.000 0.902 308 D HN 0.483 nan 8.370 nan 0.000 0.530 309 I N 1.599 122.184 120.570 0.025 0.000 2.312 309 I HA 0.068 4.238 4.170 0.001 0.000 0.290 309 I C -0.140 176.001 176.117 0.041 0.000 1.008 309 I CA -0.680 60.628 61.300 0.012 0.000 1.226 309 I CB 1.387 39.379 38.000 -0.013 0.000 1.371 309 I HN -0.249 nan 8.210 nan 0.000 0.468 310 D N 7.504 127.922 120.400 0.030 0.000 2.456 310 D HA 0.191 4.831 4.640 0.001 0.000 0.219 310 D C 0.974 177.245 176.300 -0.049 0.000 1.126 310 D CA -0.157 53.886 54.000 0.071 0.000 0.890 310 D CB 0.969 41.803 40.800 0.058 0.000 1.025 310 D HN 0.463 nan 8.370 nan 0.000 0.511 311 L N 2.502 123.573 121.223 -0.253 0.000 2.131 311 L HA -0.173 4.168 4.340 0.001 0.000 0.210 311 L C 2.423 179.111 176.870 -0.304 0.000 1.092 311 L CA 0.907 55.479 54.840 -0.446 0.000 0.759 311 L CB -0.210 41.309 42.059 -0.901 0.000 0.903 311 L HN 0.488 nan 8.230 nan 0.000 0.435 312 Q N 0.440 120.140 119.800 -0.167 0.000 2.084 312 Q HA -0.256 4.084 4.340 0.001 0.000 0.202 312 Q C 2.367 178.385 176.000 0.030 0.000 0.978 312 Q CA 1.595 57.429 55.803 0.052 0.000 0.844 312 Q CB 0.065 28.965 28.738 0.270 0.000 0.898 312 Q HN 0.327 nan 8.270 nan 0.000 0.426 313 R N -0.409 120.091 120.500 -0.001 0.000 2.075 313 R HA -0.082 4.258 4.340 0.001 0.000 0.232 313 R C 2.362 178.648 176.300 -0.023 0.000 1.126 313 R CA 1.197 57.280 56.100 -0.028 0.000 0.963 313 R CB 0.071 30.346 30.300 -0.041 0.000 0.858 313 R HN 0.139 nan 8.270 nan 0.000 0.435 314 R N 0.455 120.931 120.500 -0.041 0.000 2.081 314 R HA -0.105 4.235 4.340 0.001 0.000 0.235 314 R C 2.262 178.540 176.300 -0.035 0.000 1.131 314 R CA 1.185 57.258 56.100 -0.044 0.000 0.960 314 R CB -0.695 29.566 30.300 -0.066 0.000 0.856 314 R HN 0.349 nan 8.270 nan 0.000 0.436 315 L N 0.404 121.601 121.223 -0.043 0.000 2.156 315 L HA -0.105 4.235 4.340 0.001 0.000 0.208 315 L C 2.337 179.221 176.870 0.023 0.000 1.095 315 L CA 0.320 55.146 54.840 -0.024 0.000 0.770 315 L CB -0.396 41.636 42.059 -0.045 0.000 0.914 315 L HN 0.097 nan 8.230 nan 0.000 0.439 316 L N -0.119 121.131 121.223 0.046 0.000 2.131 316 L HA -0.183 4.157 4.340 0.001 0.000 0.210 316 L C 2.369 179.273 176.870 0.057 0.000 1.092 316 L CA 1.882 56.770 54.840 0.081 0.000 0.759 316 L CB -0.707 41.417 42.059 0.109 0.000 0.903 316 L HN 0.135 nan 8.230 nan 0.000 0.435 317 T N -0.559 114.014 114.554 0.030 0.000 2.803 317 T HA -0.161 4.189 4.350 0.001 0.000 0.269 317 T C 1.410 176.125 174.700 0.026 0.000 1.052 317 T CA 1.306 63.419 62.100 0.023 0.000 1.136 317 T CB -0.178 68.694 68.868 0.007 0.000 0.864 317 T HN 0.391 nan 8.240 nan 0.000 0.467 318 Q N 0.260 120.075 119.800 0.025 0.000 2.247 318 Q HA 0.281 4.622 4.340 0.001 0.000 0.205 318 Q C 0.347 176.374 176.000 0.045 0.000 0.896 318 Q CA -0.029 55.791 55.803 0.027 0.000 0.950 318 Q CB 0.072 28.818 28.738 0.013 0.000 1.054 318 Q HN 0.534 nan 8.270 nan 0.000 0.482 319 R N -0.116 120.419 120.500 0.058 0.000 3.776 319 R HA -0.155 4.186 4.340 0.001 0.000 0.312 319 R C -0.518 175.843 176.300 0.103 0.000 1.181 319 R CA 0.438 56.584 56.100 0.076 0.000 0.836 319 R CB -2.149 28.191 30.300 0.066 0.000 1.324 319 R HN 0.226 nan 8.270 nan 0.000 0.501 320 I N 1.493 122.125 120.570 0.104 0.000 2.355 320 I HA 0.226 4.396 4.170 0.001 0.000 0.288 320 I C -0.202 176.011 176.117 0.160 0.000 0.999 320 I CA -1.025 60.360 61.300 0.142 0.000 1.163 320 I CB 1.464 39.506 38.000 0.070 0.000 1.316 320 I HN -0.085 nan 8.210 nan 0.000 0.454 321 L N 9.173 130.526 121.223 0.217 0.000 2.272 321 L HA 0.615 4.956 4.340 0.001 0.000 0.289 321 L C -0.283 176.745 176.870 0.264 0.000 1.032 321 L CA -0.156 54.816 54.840 0.220 0.000 0.810 321 L CB 0.791 42.955 42.059 0.175 0.000 1.205 321 L HN 0.503 nan 8.230 nan 0.000 0.422 322 I N 1.332 122.052 120.570 0.250 0.000 3.023 322 I HA 0.686 4.857 4.170 0.001 0.000 0.312 322 I C -0.495 175.798 176.117 0.293 0.000 1.056 322 I CA -1.316 60.148 61.300 0.274 0.000 1.033 322 I CB 1.705 39.833 38.000 0.213 0.000 1.233 322 I HN 0.618 nan 8.210 nan 0.000 0.462 323 R N 2.335 123.013 120.500 0.296 0.000 2.254 323 R HA 0.364 4.704 4.340 0.001 0.000 0.318 323 R C -0.550 175.939 176.300 0.315 0.000 1.031 323 R CA -0.058 56.209 56.100 0.278 0.000 0.905 323 R CB 1.008 31.451 30.300 0.239 0.000 1.050 323 R HN 0.795 nan 8.270 nan 0.000 0.456 324 S N 3.316 119.180 115.700 0.273 0.000 2.513 324 S HA 0.179 4.649 4.470 0.001 0.000 0.276 324 S C 0.197 174.856 174.600 0.097 0.000 1.254 324 S CA -0.814 57.464 58.200 0.131 0.000 1.053 324 S CB 0.467 63.747 63.200 0.134 0.000 0.958 324 S HN 0.804 nan 8.310 nan 0.000 0.491 325 C N 4.712 124.016 119.300 0.008 0.000 2.614 325 C HA 0.403 4.864 4.460 0.001 0.000 0.299 325 C C 2.322 177.386 174.990 0.122 0.000 1.293 325 C CA -0.033 59.086 59.018 0.169 0.000 1.713 325 C CB -1.939 25.782 27.740 -0.031 0.000 1.890 325 C HN 0.970 nan 8.230 nan 0.000 0.602 326 A N 2.785 125.614 122.820 0.015 0.000 1.972 326 A HA -0.197 4.123 4.320 0.001 0.000 0.219 326 A C 1.941 179.529 177.584 0.007 0.000 1.169 326 A CA 2.097 54.133 52.037 -0.001 0.000 0.635 326 A CB -0.434 18.553 19.000 -0.021 0.000 0.810 326 A HN 0.716 nan 8.150 nan 0.000 0.446 327 N N -1.403 117.291 118.700 -0.010 0.000 2.449 327 N HA 0.011 4.751 4.740 0.001 0.000 0.191 327 N C -0.533 174.877 175.510 -0.167 0.000 1.161 327 N CA -0.047 52.941 53.050 -0.103 0.000 0.863 327 N CB -0.681 37.705 38.487 -0.168 0.000 0.980 327 N HN 0.478 nan 8.380 nan 0.000 0.458 328 Y N 0.681 120.907 120.300 -0.123 0.000 2.327 328 Y HA 0.415 4.965 4.550 0.000 0.000 0.336 328 Y C -1.949 173.864 175.900 -0.145 0.000 1.035 328 Y CA -2.448 55.568 58.100 -0.141 0.000 1.165 328 Y CB 1.203 39.553 38.460 -0.183 0.000 1.181 328 Y HN -0.044 nan 8.280 nan 0.000 0.494 329 P HA 0.119 nan 4.420 nan 0.000 0.267 329 P C 0.667 177.950 177.300 -0.027 0.000 1.205 329 P CA 1.299 64.394 63.100 -0.008 0.000 0.765 329 P CB 0.789 32.483 31.700 -0.010 0.000 0.828 330 G N 1.865 110.640 108.800 -0.042 0.000 2.254 330 G HA2 -0.181 3.780 3.960 0.001 0.000 0.225 330 G HA3 -0.181 3.780 3.960 0.001 0.000 0.225 330 G C -0.127 174.668 174.900 -0.175 0.000 1.003 330 G CA -0.371 44.697 45.100 -0.053 0.000 0.622 330 G HN 0.443 nan 8.290 nan 0.000 0.507 331 L N 1.138 122.200 121.223 -0.269 0.000 2.304 331 L HA 0.762 5.103 4.340 0.001 0.000 0.268 331 L C 0.155 176.962 176.870 -0.106 0.000 1.010 331 L CA -0.617 53.967 54.840 -0.426 0.000 0.813 331 L CB 1.632 43.290 42.059 -0.669 0.000 1.315 331 L HN 0.461 nan 8.230 nan 0.000 0.445 332 D N -2.516 117.919 120.400 0.058 0.000 2.758 332 D HA 0.197 4.837 4.640 0.001 0.000 0.279 332 D C 0.497 176.861 176.300 0.107 0.000 1.111 332 D CA -0.258 53.809 54.000 0.111 0.000 1.109 332 D CB 0.926 41.813 40.800 0.145 0.000 1.428 332 D HN 0.396 nan 8.370 nan 0.000 0.586 333 S N -1.229 114.492 115.700 0.034 0.000 2.537 333 S HA -0.126 4.344 4.470 0.001 0.000 0.240 333 S C 1.327 175.852 174.600 -0.124 0.000 0.981 333 S CA 0.324 58.491 58.200 -0.056 0.000 0.948 333 S CB -0.528 62.667 63.200 -0.008 0.000 0.759 333 S HN 0.445 nan 8.310 nan 0.000 0.531 334 R N -0.608 119.866 120.500 -0.044 0.000 2.275 334 R HA 0.189 4.529 4.340 0.001 0.000 0.199 334 R C -0.475 175.652 176.300 -0.288 0.000 0.989 334 R CA 0.346 56.380 56.100 -0.110 0.000 1.016 334 R CB -0.027 30.172 30.300 -0.169 0.000 0.918 334 R HN 0.484 nan 8.270 nan 0.000 0.473 335 Y N -0.387 119.747 120.300 -0.277 0.000 2.323 335 Y HA 0.307 4.857 4.550 -0.000 0.000 0.331 335 Y C -0.344 175.236 175.900 -0.533 0.000 1.092 335 Y CA -0.690 57.262 58.100 -0.247 0.000 1.150 335 Y CB 0.866 39.198 38.460 -0.213 0.000 1.200 335 Y HN -0.148 nan 8.280 nan 0.000 0.472 336 Y N 1.067 121.463 120.300 0.160 0.000 2.581 336 Y HA 0.616 5.166 4.550 0.000 0.000 0.345 336 Y C -0.367 175.610 175.900 0.129 0.000 1.036 336 Y CA -1.464 56.713 58.100 0.128 0.000 1.042 336 Y CB 2.113 40.627 38.460 0.089 0.000 1.289 336 Y HN 0.404 nan 8.280 nan 0.000 0.471 337 R N 1.668 122.341 120.500 0.288 0.000 2.621 337 R HA 0.818 5.158 4.340 0.001 0.000 0.292 337 R C -1.945 174.522 176.300 0.278 0.000 0.969 337 R CA -0.893 55.348 56.100 0.236 0.000 0.887 337 R CB 1.792 32.181 30.300 0.148 0.000 1.180 337 R HN 0.633 nan 8.270 nan 0.000 0.450 338 V N 0.862 120.961 119.914 0.308 0.000 2.656 338 V HA 0.834 4.954 4.120 0.001 0.000 0.307 338 V C -0.002 176.393 176.094 0.502 0.000 1.051 338 V CA -1.000 61.552 62.300 0.420 0.000 0.893 338 V CB 1.515 33.570 31.823 0.388 0.000 0.999 338 V HN 0.930 nan 8.190 nan 0.000 0.426 339 A N 4.685 127.827 122.820 0.536 0.000 2.346 339 A HA 0.737 5.058 4.320 0.001 0.000 0.252 339 A C 0.002 177.886 177.584 0.499 0.000 1.089 339 A CA -0.486 51.785 52.037 0.389 0.000 0.797 339 A CB 0.103 19.184 19.000 0.135 0.000 1.047 339 A HN 0.930 nan 8.150 nan 0.000 0.494 340 I N 1.385 122.155 120.570 0.334 0.000 2.321 340 I HA 0.332 4.502 4.170 0.001 0.000 0.291 340 I C 0.761 177.040 176.117 0.269 0.000 0.998 340 I CA -0.086 61.368 61.300 0.257 0.000 1.227 340 I CB 0.996 39.088 38.000 0.153 0.000 1.368 340 I HN 0.770 nan 8.210 nan 0.000 0.466 341 R N 2.966 123.516 120.500 0.083 0.000 3.287 341 R HA 0.491 4.831 4.340 0.001 0.000 0.221 341 R C 0.047 176.465 176.300 0.197 0.000 1.684 341 R CA -0.716 55.402 56.100 0.030 0.000 0.976 341 R CB 0.845 30.918 30.300 -0.378 0.000 2.102 341 R HN 0.698 nan 8.270 nan 0.000 0.541 342 S N -0.058 115.644 115.700 0.003 0.000 2.589 342 S HA 0.148 4.619 4.470 0.001 0.000 0.265 342 S C 1.200 175.857 174.600 0.096 0.000 1.342 342 S CA -0.092 58.145 58.200 0.060 0.000 1.005 342 S CB 1.290 64.455 63.200 -0.059 0.000 0.909 342 S HN 0.666 nan 8.310 nan 0.000 0.555 343 A N 1.997 124.887 122.820 0.116 0.000 1.883 343 A HA 0.056 4.376 4.320 0.001 0.000 0.217 343 A C 2.446 180.062 177.584 0.054 0.000 1.186 343 A CA 2.105 54.187 52.037 0.075 0.000 0.624 343 A CB -1.766 17.284 19.000 0.082 0.000 0.822 343 A HN 1.413 nan 8.150 nan 0.000 0.444 344 A N -1.015 121.835 122.820 0.050 0.000 1.902 344 A HA -0.197 4.123 4.320 0.001 0.000 0.217 344 A C 2.129 179.755 177.584 0.070 0.000 1.181 344 A CA 1.715 53.782 52.037 0.049 0.000 0.623 344 A CB -0.537 18.484 19.000 0.035 0.000 0.818 344 A HN 0.661 nan 8.150 nan 0.000 0.443 345 Q N -0.390 119.458 119.800 0.080 0.000 2.079 345 Q HA -0.142 4.198 4.340 0.001 0.000 0.200 345 Q C 1.827 177.996 176.000 0.282 0.000 0.974 345 Q CA 1.412 57.316 55.803 0.168 0.000 0.840 345 Q CB -0.183 28.610 28.738 0.090 0.000 0.898 345 Q HN 0.615 nan 8.270 nan 0.000 0.430 346 N N 0.616 119.404 118.700 0.148 0.000 2.166 346 N HA -0.181 4.560 4.740 0.001 0.000 0.186 346 N C 1.585 177.137 175.510 0.070 0.000 1.019 346 N CA 1.093 54.123 53.050 -0.033 0.000 0.856 346 N CB -0.173 38.036 38.487 -0.465 0.000 0.993 346 N HN 0.192 nan 8.380 nan 0.000 0.426 347 E N 1.460 121.706 120.200 0.076 0.000 2.110 347 E HA -0.049 4.302 4.350 0.001 0.000 0.193 347 E C 1.808 178.442 176.600 0.058 0.000 0.988 347 E CA 1.086 57.532 56.400 0.076 0.000 0.804 347 E CB -0.017 29.720 29.700 0.060 0.000 0.745 347 E HN 0.264 nan 8.360 nan 0.000 0.458 348 R N -0.287 120.250 120.500 0.062 0.000 2.081 348 R HA -0.093 4.247 4.340 0.001 0.000 0.235 348 R C 2.598 178.895 176.300 -0.005 0.000 1.131 348 R CA 1.373 57.500 56.100 0.044 0.000 0.960 348 R CB -0.493 29.855 30.300 0.080 0.000 0.856 348 R HN 0.271 nan 8.270 nan 0.000 0.436 349 L N 0.907 122.089 121.223 -0.068 0.000 2.056 349 L HA -0.145 4.196 4.340 0.001 0.000 0.207 349 L C 2.094 178.918 176.870 -0.077 0.000 1.078 349 L CA 1.258 55.980 54.840 -0.197 0.000 0.749 349 L CB -0.121 41.584 42.059 -0.589 0.000 0.901 349 L HN 0.167 nan 8.230 nan 0.000 0.433 350 L N -0.312 120.924 121.223 0.022 0.000 2.017 350 L HA -0.219 4.121 4.340 0.001 0.000 0.208 350 L C 2.834 179.697 176.870 -0.011 0.000 1.073 350 L CA 1.235 56.089 54.840 0.024 0.000 0.745 350 L CB -0.879 41.231 42.059 0.085 0.000 0.894 350 L HN 0.375 nan 8.230 nan 0.000 0.432 351 A N -0.089 122.730 122.820 -0.001 0.000 1.940 351 A HA -0.206 4.114 4.320 0.001 0.000 0.219 351 A C 2.491 180.062 177.584 -0.022 0.000 1.176 351 A CA 1.903 53.936 52.037 -0.007 0.000 0.631 351 A CB -0.654 18.349 19.000 0.004 0.000 0.814 351 A HN 0.439 nan 8.150 nan 0.000 0.446 352 A N -0.492 122.308 122.820 -0.033 0.000 1.872 352 A HA 0.066 4.386 4.320 0.001 0.000 0.214 352 A C 2.165 179.713 177.584 -0.060 0.000 1.187 352 A CA 1.304 53.315 52.037 -0.043 0.000 0.614 352 A CB -0.539 18.431 19.000 -0.050 0.000 0.826 352 A HN 0.447 nan 8.150 nan 0.000 0.442 353 L N -0.976 120.200 121.223 -0.077 0.000 2.046 353 L HA -0.185 4.155 4.340 0.001 0.000 0.208 353 L C 2.857 179.681 176.870 -0.077 0.000 1.077 353 L CA 1.374 56.158 54.840 -0.094 0.000 0.747 353 L CB -0.420 41.570 42.059 -0.115 0.000 0.896 353 L HN 0.358 nan 8.230 nan 0.000 0.432 354 R N -0.180 120.283 120.500 -0.061 0.000 2.105 354 R HA -0.135 4.205 4.340 0.001 0.000 0.239 354 R C 1.911 178.184 176.300 -0.045 0.000 1.135 354 R CA 1.313 57.382 56.100 -0.052 0.000 0.967 354 R CB -0.346 29.930 30.300 -0.039 0.000 0.861 354 R HN 0.394 nan 8.270 nan 0.000 0.442 355 N N -0.070 118.605 118.700 -0.041 0.000 2.459 355 N HA -0.072 4.668 4.740 0.001 0.000 0.181 355 N C 1.466 176.952 175.510 -0.040 0.000 1.046 355 N CA 0.784 53.813 53.050 -0.035 0.000 0.904 355 N CB 0.280 38.751 38.487 -0.028 0.000 0.964 355 N HN 0.071 nan 8.380 nan 0.000 0.444 356 V N 0.419 120.302 119.914 -0.051 0.000 2.575 356 V HA 0.116 4.237 4.120 0.001 0.000 0.242 356 V C 1.271 177.332 176.094 -0.056 0.000 1.045 356 V CA 0.666 62.933 62.300 -0.056 0.000 1.065 356 V CB 0.147 31.924 31.823 -0.075 0.000 0.717 356 V HN 0.040 nan 8.190 nan 0.000 0.467 357 L N 0.000 121.186 121.223 -0.062 0.000 2.949 357 L HA 0.000 4.340 4.340 0.001 0.000 0.249 357 L CA 0.000 54.804 54.840 -0.060 0.000 0.813 357 L CB 0.000 42.015 42.059 -0.074 0.000 0.961 357 L HN 0.000 nan 8.230 nan 0.000 0.502