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 3l1l_1_A DATA FIRST_RESID 7 DATA SEQUENCE AHKVGLIPVT LMVSGAIMGS GVFLLPANLA STGGIAIYGW LVTIIGALGL DATA SEQUENCE SMVYAKMSFL DPSPGGSYAY ARRCFGPFLG YQTNVLYWLA CWIGNIAMVV DATA SEQUENCE IGVGYLSYFF PILKDPWVLT ITCVVVLWIF VLLNIVGPKM ITRVQAVATV DATA SEQUENCE LALIPIVGIA VFGWFWFRGE TYMAXXXXXX XXXXXAIQST LNVTLWSFIG DATA SEQUENCE VESASVAAGV VKNPKRNVPI ATIGGVLIAA VCYVLSTTAI MGMIPNAALR DATA SEQUENCE VSASPFGDAA RMALGDTAGA IVSFCAAAGC LGSLGGWTLL AGQTAKAAAD DATA SEQUENCE DGLFPPIFAR VNKAGTPVAG LIIVGILMTI FQLSSISPNA TKEFGLVSSV DATA SEQUENCE SVIFTLVPYL YTCAALLLLG HGHFGKARPA YLAVTTIAFL YCIWAVVGSG DATA SEQUENCE AKEVMWSFVT LMVITAMYAL NYNRLHKNPY PLDA 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.690 177.584 0.176 0.000 1.274 7 A CA 0.000 52.097 52.037 0.100 0.000 0.836 7 A CB 0.000 19.044 19.000 0.074 0.000 0.831 8 H N 0.229 119.314 119.070 0.025 0.000 3.436 8 H HA 0.755 5.281 4.556 -0.049 0.000 0.312 8 H C 0.143 175.487 175.328 0.027 0.000 1.675 8 H CA -0.187 55.876 56.048 0.025 0.000 1.361 8 H CB 0.924 30.699 29.762 0.022 0.000 1.731 8 H HN 0.208 nan 8.280 nan 0.000 0.732 9 K N -0.490 119.728 120.400 -0.304 0.000 2.583 9 K HA 0.605 4.895 4.320 -0.049 0.000 0.263 9 K C -0.901 175.658 176.600 -0.068 0.000 1.038 9 K CA -0.919 55.239 56.287 -0.216 0.000 1.031 9 K CB 1.212 33.505 32.500 -0.345 0.000 1.399 9 K HN 0.127 nan 8.250 nan 0.000 0.531 10 V N 0.065 119.949 119.914 -0.050 0.000 2.919 10 V HA 0.508 4.598 4.120 -0.049 0.000 0.316 10 V C 0.103 176.195 176.094 -0.003 0.000 1.077 10 V CA -0.930 61.364 62.300 -0.010 0.000 0.977 10 V CB 1.827 33.645 31.823 -0.008 0.000 1.039 10 V HN 0.876 nan 8.190 nan 0.000 0.441 11 G N 0.417 109.223 108.800 0.011 0.000 2.412 11 G HA2 0.498 4.429 3.960 -0.049 0.000 0.318 11 G HA3 0.498 4.429 3.960 -0.049 0.000 0.318 11 G C 0.616 175.523 174.900 0.012 0.000 1.146 11 G CA -0.553 44.557 45.100 0.016 0.000 0.882 11 G HN 0.755 nan 8.290 nan 0.000 0.501 12 L N 0.963 122.195 121.223 0.015 0.000 2.013 12 L HA -0.240 4.070 4.340 -0.049 0.000 0.239 12 L C 2.778 179.654 176.870 0.009 0.000 1.100 12 L CA 1.477 56.325 54.840 0.013 0.000 0.826 12 L CB -0.230 41.840 42.059 0.017 0.000 0.921 12 L HN 0.448 nan 8.230 nan 0.000 0.445 13 I N -0.138 120.438 120.570 0.011 0.000 2.113 13 I HA -0.279 3.861 4.170 -0.049 0.000 0.242 13 I C -0.038 176.083 176.117 0.006 0.000 1.057 13 I CA 2.228 63.534 61.300 0.009 0.000 1.314 13 I CB -2.795 35.212 38.000 0.011 0.000 1.022 13 I HN 0.296 nan 8.210 nan 0.000 0.408 14 P HA -0.093 nan 4.420 nan 0.000 0.215 14 P C 2.234 179.530 177.300 -0.006 0.000 1.157 14 P CA 1.167 64.270 63.100 0.005 0.000 0.868 14 P CB -0.033 31.673 31.700 0.010 0.000 0.788 15 V N -0.486 119.424 119.914 -0.007 0.000 2.287 15 V HA -0.273 3.817 4.120 -0.049 0.000 0.248 15 V C 2.655 178.735 176.094 -0.022 0.000 1.053 15 V CA 2.669 64.958 62.300 -0.018 0.000 1.027 15 V CB -1.927 29.890 31.823 -0.011 0.000 0.646 15 V HN 0.261 nan 8.190 nan 0.000 0.447 16 T N -0.853 113.694 114.554 -0.011 0.000 2.867 16 T HA -0.093 4.227 4.350 -0.049 0.000 0.268 16 T C 1.796 176.487 174.700 -0.015 0.000 1.057 16 T CA 1.286 63.380 62.100 -0.010 0.000 1.136 16 T CB -0.237 68.631 68.868 -0.000 0.000 0.874 16 T HN 0.378 nan 8.240 nan 0.000 0.466 17 L N 0.477 121.693 121.223 -0.013 0.000 2.156 17 L HA 0.066 4.376 4.340 -0.049 0.000 0.208 17 L C 2.719 179.571 176.870 -0.029 0.000 1.095 17 L CA 1.514 56.346 54.840 -0.014 0.000 0.770 17 L CB -0.496 41.560 42.059 -0.004 0.000 0.914 17 L HN 0.458 nan 8.230 nan 0.000 0.439 18 M N -0.533 119.042 119.600 -0.042 0.000 2.117 18 M HA -0.165 4.285 4.480 -0.049 0.000 0.262 18 M C 2.082 178.317 176.300 -0.107 0.000 1.065 18 M CA 1.832 57.085 55.300 -0.078 0.000 1.114 18 M CB -0.099 32.448 32.600 -0.088 0.000 1.361 18 M HN -0.036 nan 8.290 nan 0.000 0.408 19 V N 0.523 120.386 119.914 -0.085 0.000 2.295 19 V HA -0.230 3.860 4.120 -0.049 0.000 0.246 19 V C 2.457 178.521 176.094 -0.050 0.000 1.049 19 V CA 2.158 64.408 62.300 -0.083 0.000 1.024 19 V CB -0.946 30.845 31.823 -0.053 0.000 0.648 19 V HN 0.596 nan 8.190 nan 0.000 0.447 20 S N 0.596 116.278 115.700 -0.031 0.000 2.383 20 S HA -0.163 4.277 4.470 -0.049 0.000 0.229 20 S C 1.975 176.560 174.600 -0.024 0.000 1.030 20 S CA 1.529 59.719 58.200 -0.017 0.000 1.002 20 S CB -0.603 62.588 63.200 -0.016 0.000 0.829 20 S HN 0.718 nan 8.310 nan 0.000 0.467 21 G N 0.645 109.424 108.800 -0.035 0.000 2.494 21 G HA2 0.188 4.118 3.960 -0.049 0.000 0.216 21 G HA3 0.188 4.118 3.960 -0.049 0.000 0.216 21 G C 1.492 176.382 174.900 -0.017 0.000 1.140 21 G CA 0.647 45.732 45.100 -0.024 0.000 0.801 21 G HN 0.539 nan 8.290 nan 0.000 0.536 22 A N 1.256 124.023 122.820 -0.089 0.000 1.883 22 A HA -0.019 4.272 4.320 -0.049 0.000 0.217 22 A C 2.328 179.989 177.584 0.129 0.000 1.186 22 A CA 1.380 53.353 52.037 -0.106 0.000 0.624 22 A CB -0.384 18.407 19.000 -0.349 0.000 0.822 22 A HN 0.370 nan 8.150 nan 0.000 0.444 23 I N -0.905 119.700 120.570 0.059 0.000 2.439 23 I HA -0.136 4.004 4.170 -0.049 0.000 0.251 23 I C 1.280 177.422 176.117 0.042 0.000 1.139 23 I CA 0.562 61.900 61.300 0.063 0.000 1.438 23 I CB -0.305 37.737 38.000 0.070 0.000 1.085 23 I HN 0.368 nan 8.210 nan 0.000 0.427 24 M N -1.139 118.472 119.600 0.018 0.000 2.823 24 M HA 0.602 5.052 4.480 -0.049 0.000 0.282 24 M C 0.996 177.339 176.300 0.072 0.000 1.177 24 M CA 0.091 55.394 55.300 0.005 0.000 0.871 24 M CB 1.449 33.984 32.600 -0.108 0.000 1.595 24 M HN 0.081 nan 8.290 nan 0.000 0.524 25 G N -0.287 108.582 108.800 0.115 0.000 3.246 25 G HA2 -0.220 3.711 3.960 -0.049 0.000 0.196 25 G HA3 -0.220 3.711 3.960 -0.049 0.000 0.196 25 G C 0.890 175.893 174.900 0.171 0.000 2.019 25 G CA 0.400 45.575 45.100 0.124 0.000 1.385 25 G HN 0.748 nan 8.290 nan 0.000 0.484 26 S N 0.935 116.764 115.700 0.214 0.000 2.444 26 S HA 0.362 4.802 4.470 -0.049 0.000 0.223 26 S C 2.461 177.249 174.600 0.313 0.000 1.054 26 S CA 1.588 59.951 58.200 0.271 0.000 0.947 26 S CB -0.616 62.812 63.200 0.380 0.000 0.850 26 S HN 1.552 nan 8.310 nan 0.000 0.527 27 G N 2.878 111.872 108.800 0.324 0.000 2.476 27 G HA2 -0.221 3.709 3.960 -0.049 0.000 0.218 27 G HA3 -0.221 3.709 3.960 -0.049 0.000 0.218 27 G C 1.580 176.670 174.900 0.316 0.000 1.164 27 G CA 1.733 47.048 45.100 0.358 0.000 0.768 27 G HN 0.658 nan 8.290 nan 0.000 0.560 28 V N -1.326 118.637 119.914 0.082 0.000 2.453 28 V HA -0.159 3.932 4.120 -0.049 0.000 0.252 28 V C 2.397 178.291 176.094 -0.333 0.000 1.068 28 V CA 1.937 64.068 62.300 -0.282 0.000 1.070 28 V CB -0.913 30.615 31.823 -0.491 0.000 0.664 28 V HN 0.339 nan 8.190 nan 0.000 0.461 29 F N -0.888 118.923 119.950 -0.232 0.000 2.656 29 F HA 0.344 4.849 4.527 -0.036 0.000 0.291 29 F C 2.032 177.574 175.800 -0.431 0.000 1.122 29 F CA 0.288 57.949 58.000 -0.565 0.000 1.427 29 F CB -0.066 38.583 39.000 -0.585 0.000 1.125 29 F HN 0.012 nan 8.300 nan 0.000 0.583 30 L N -0.424 120.818 121.223 0.031 0.000 2.102 30 L HA -0.107 4.203 4.340 -0.049 0.000 0.202 30 L C 2.396 179.268 176.870 0.003 0.000 1.076 30 L CA 0.816 55.660 54.840 0.008 0.000 0.761 30 L CB -0.465 41.625 42.059 0.051 0.000 0.921 30 L HN 0.199 nan 8.230 nan 0.000 0.444 31 L N 0.273 121.538 121.223 0.069 0.000 1.976 31 L HA -0.134 4.176 4.340 -0.049 0.000 0.209 31 L C -0.163 176.678 176.870 -0.049 0.000 1.071 31 L CA 1.992 56.858 54.840 0.044 0.000 0.746 31 L CB -1.310 40.827 42.059 0.129 0.000 0.890 31 L HN 0.166 nan 8.230 nan 0.000 0.432 32 P HA -0.133 nan 4.420 nan 0.000 0.215 32 P C 1.412 178.705 177.300 -0.010 0.000 1.157 32 P CA 1.793 64.860 63.100 -0.055 0.000 0.863 32 P CB -0.107 31.628 31.700 0.058 0.000 0.787 33 A N 0.027 122.901 122.820 0.090 0.000 1.862 33 A HA -0.365 3.926 4.320 -0.049 0.000 0.214 33 A C 2.206 179.791 177.584 0.002 0.000 1.228 33 A CA 2.688 54.784 52.037 0.099 0.000 0.665 33 A CB -2.048 17.004 19.000 0.087 0.000 0.845 33 A HN 0.187 nan 8.150 nan 0.000 0.459 34 N N -0.755 117.935 118.700 -0.017 0.000 2.161 34 N HA -0.249 4.462 4.740 -0.049 0.000 0.199 34 N C 1.680 177.156 175.510 -0.057 0.000 0.990 34 N CA 2.371 55.401 53.050 -0.032 0.000 0.902 34 N CB -0.348 38.121 38.487 -0.029 0.000 1.074 34 N HN 0.483 nan 8.380 nan 0.000 0.556 35 L N -0.348 120.811 121.223 -0.106 0.000 2.012 35 L HA -0.211 4.099 4.340 -0.049 0.000 0.210 35 L C 2.464 179.233 176.870 -0.169 0.000 1.073 35 L CA 1.521 56.256 54.840 -0.174 0.000 0.748 35 L CB -0.668 41.172 42.059 -0.365 0.000 0.891 35 L HN 0.401 nan 8.230 nan 0.000 0.431 36 A N -1.181 121.542 122.820 -0.162 0.000 1.858 36 A HA -0.266 4.025 4.320 -0.049 0.000 0.216 36 A C 2.468 180.000 177.584 -0.087 0.000 1.190 36 A CA 2.080 54.035 52.037 -0.137 0.000 0.617 36 A CB -0.914 18.017 19.000 -0.116 0.000 0.827 36 A HN 0.426 nan 8.150 nan 0.000 0.443 37 S N -0.905 114.760 115.700 -0.057 0.000 2.389 37 S HA -0.255 4.186 4.470 -0.049 0.000 0.229 37 S C 2.309 176.891 174.600 -0.030 0.000 1.048 37 S CA 3.221 61.401 58.200 -0.033 0.000 1.117 37 S CB -0.706 62.483 63.200 -0.019 0.000 1.020 37 S HN 0.903 nan 8.310 nan 0.000 0.430 38 T N -1.727 112.809 114.554 -0.029 0.000 2.894 38 T HA 0.383 4.704 4.350 -0.049 0.000 0.258 38 T C 1.361 176.052 174.700 -0.015 0.000 1.043 38 T CA 1.093 63.186 62.100 -0.012 0.000 1.141 38 T CB -1.324 67.545 68.868 0.002 0.000 0.873 38 T HN 1.161 nan 8.240 nan 0.000 0.449 39 G N 0.499 109.272 108.800 -0.045 0.000 2.992 39 G HA2 0.278 4.209 3.960 -0.049 0.000 0.340 39 G HA3 0.278 4.209 3.960 -0.049 0.000 0.340 39 G C 0.722 175.611 174.900 -0.018 0.000 1.539 39 G CA 0.031 45.085 45.100 -0.076 0.000 0.997 39 G HN 1.805 nan 8.290 nan 0.000 0.561 40 G N -0.676 108.092 108.800 -0.053 0.000 2.728 40 G HA2 -0.093 3.837 3.960 -0.049 0.000 0.269 40 G HA3 -0.093 3.837 3.960 -0.049 0.000 0.269 40 G C 1.182 176.239 174.900 0.262 0.000 1.334 40 G CA 1.333 46.494 45.100 0.102 0.000 0.974 40 G HN 1.826 nan 8.290 nan 0.000 0.550 41 I N 2.422 123.165 120.570 0.289 0.000 2.264 41 I HA 0.121 4.261 4.170 -0.049 0.000 0.248 41 I C 3.283 179.618 176.117 0.364 0.000 1.111 41 I CA 2.566 64.089 61.300 0.371 0.000 1.382 41 I CB -1.013 37.111 38.000 0.208 0.000 1.060 41 I HN 0.763 nan 8.210 nan 0.000 0.418 42 A N 1.369 124.322 122.820 0.221 0.000 1.940 42 A HA -0.148 4.142 4.320 -0.049 0.000 0.219 42 A C 2.277 179.997 177.584 0.226 0.000 1.176 42 A CA 1.663 53.816 52.037 0.192 0.000 0.631 42 A CB -0.756 18.302 19.000 0.096 0.000 0.814 42 A HN 0.390 nan 8.150 nan 0.000 0.446 43 I N -1.546 119.103 120.570 0.131 0.000 2.286 43 I HA -0.237 3.904 4.170 -0.049 0.000 0.248 43 I C 2.324 178.569 176.117 0.213 0.000 1.115 43 I CA 1.317 62.700 61.300 0.139 0.000 1.392 43 I CB -1.911 35.977 38.000 -0.187 0.000 1.065 43 I HN 0.382 nan 8.210 nan 0.000 0.418 44 Y N 1.875 122.321 120.300 0.244 0.000 2.145 44 Y HA -0.129 4.393 4.550 -0.045 0.000 0.286 44 Y C 2.890 178.876 175.900 0.143 0.000 1.145 44 Y CA 1.646 59.852 58.100 0.176 0.000 1.148 44 Y CB -1.281 37.267 38.460 0.147 0.000 0.981 44 Y HN 0.169 nan 8.280 nan 0.000 0.507 45 G N -0.669 108.382 108.800 0.419 0.000 2.491 45 G HA2 -0.335 3.595 3.960 -0.049 0.000 0.218 45 G HA3 -0.335 3.595 3.960 -0.049 0.000 0.218 45 G C 1.434 176.588 174.900 0.423 0.000 1.180 45 G CA 0.999 46.396 45.100 0.494 0.000 0.774 45 G HN 0.585 nan 8.290 nan 0.000 0.562 46 W N 0.984 122.394 121.300 0.183 0.000 2.318 46 W HA -0.095 4.525 4.660 -0.067 0.000 0.313 46 W C 2.220 178.744 176.519 0.007 0.000 1.221 46 W CA 1.203 58.613 57.345 0.109 0.000 1.266 46 W CB -0.548 28.956 29.460 0.074 0.000 1.150 46 W HN 0.081 nan 8.180 nan 0.000 0.496 47 L N 0.211 121.333 121.223 -0.168 0.000 2.012 47 L HA -0.226 4.084 4.340 -0.049 0.000 0.210 47 L C 2.406 179.062 176.870 -0.357 0.000 1.073 47 L CA 1.988 56.590 54.840 -0.398 0.000 0.748 47 L CB -1.799 40.151 42.059 -0.181 0.000 0.891 47 L HN -0.031 nan 8.230 nan 0.000 0.431 48 V N -0.212 119.544 119.914 -0.264 0.000 2.255 48 V HA -0.319 3.772 4.120 -0.049 0.000 0.247 48 V C 2.768 178.629 176.094 -0.388 0.000 1.051 48 V CA 2.347 64.397 62.300 -0.416 0.000 1.018 48 V CB -1.124 30.226 31.823 -0.787 0.000 0.641 48 V HN 0.645 nan 8.190 nan 0.000 0.445 49 T N -1.368 113.074 114.554 -0.186 0.000 2.904 49 T HA -0.096 4.224 4.350 -0.049 0.000 0.267 49 T C 1.838 176.181 174.700 -0.595 0.000 1.059 49 T CA 1.385 63.458 62.100 -0.045 0.000 1.137 49 T CB -0.399 68.747 68.868 0.463 0.000 0.879 49 T HN 0.368 nan 8.240 nan 0.000 0.467 50 I N 0.557 120.678 120.570 -0.748 0.000 2.127 50 I HA -0.123 4.018 4.170 -0.049 0.000 0.241 50 I C 2.504 178.222 176.117 -0.665 0.000 1.075 50 I CA 1.669 62.396 61.300 -0.955 0.000 1.334 50 I CB -0.310 37.168 38.000 -0.871 0.000 1.040 50 I HN 0.274 nan 8.210 nan 0.000 0.405 51 I N 0.519 120.784 120.570 -0.507 0.000 2.163 51 I HA -0.260 3.881 4.170 -0.049 0.000 0.243 51 I C 2.629 178.502 176.117 -0.407 0.000 1.085 51 I CA 1.787 62.859 61.300 -0.380 0.000 1.347 51 I CB -0.905 36.915 38.000 -0.299 0.000 1.044 51 I HN 0.284 nan 8.210 nan 0.000 0.408 52 G N 0.248 108.736 108.800 -0.518 0.000 2.418 52 G HA2 -0.235 3.695 3.960 -0.049 0.000 0.217 52 G HA3 -0.235 3.695 3.960 -0.049 0.000 0.217 52 G C 1.860 176.241 174.900 -0.865 0.000 1.158 52 G CA 0.824 45.530 45.100 -0.656 0.000 0.771 52 G HN 0.502 nan 8.290 nan 0.000 0.545 53 A N 0.552 122.773 122.820 -0.999 0.000 1.902 53 A HA 0.081 4.371 4.320 -0.049 0.000 0.217 53 A C 2.448 179.823 177.584 -0.349 0.000 1.181 53 A CA 1.321 52.974 52.037 -0.639 0.000 0.623 53 A CB -0.428 18.232 19.000 -0.567 0.000 0.818 53 A HN 0.355 nan 8.150 nan 0.000 0.443 54 L N -0.697 120.326 121.223 -0.334 0.000 2.042 54 L HA -0.153 4.158 4.340 -0.049 0.000 0.210 54 L C 2.835 179.607 176.870 -0.162 0.000 1.076 54 L CA 1.203 55.924 54.840 -0.199 0.000 0.749 54 L CB -0.746 41.198 42.059 -0.192 0.000 0.893 54 L HN 0.495 nan 8.230 nan 0.000 0.432 55 G N -0.256 108.425 108.800 -0.198 0.000 2.402 55 G HA2 -0.258 3.673 3.960 -0.049 0.000 0.216 55 G HA3 -0.258 3.673 3.960 -0.049 0.000 0.216 55 G C 1.547 176.369 174.900 -0.128 0.000 1.162 55 G CA 0.518 45.530 45.100 -0.147 0.000 0.777 55 G HN 0.180 nan 8.290 nan 0.000 0.539 56 L N 1.024 122.149 121.223 -0.162 0.000 2.083 56 L HA 0.034 4.344 4.340 -0.049 0.000 0.209 56 L C 2.931 179.804 176.870 0.005 0.000 1.083 56 L CA 2.178 56.948 54.840 -0.116 0.000 0.752 56 L CB -0.670 41.277 42.059 -0.187 0.000 0.899 56 L HN 0.247 nan 8.230 nan 0.000 0.433 57 S N -1.198 114.493 115.700 -0.016 0.000 2.368 57 S HA -0.223 4.217 4.470 -0.049 0.000 0.225 57 S C 2.031 176.659 174.600 0.047 0.000 1.030 57 S CA 1.645 59.873 58.200 0.046 0.000 0.999 57 S CB -0.174 63.027 63.200 0.001 0.000 0.844 57 S HN 0.471 nan 8.310 nan 0.000 0.459 58 M N 0.589 120.185 119.600 -0.005 0.000 2.108 58 M HA -0.095 4.355 4.480 -0.049 0.000 0.261 58 M C 2.073 178.362 176.300 -0.017 0.000 1.066 58 M CA 1.387 56.685 55.300 -0.002 0.000 1.107 58 M CB -0.578 32.018 32.600 -0.006 0.000 1.356 58 M HN 0.190 nan 8.290 nan 0.000 0.406 59 V N -0.873 119.005 119.914 -0.061 0.000 2.282 59 V HA -0.313 3.777 4.120 -0.049 0.000 0.249 59 V C 2.031 178.031 176.094 -0.157 0.000 1.057 59 V CA 2.040 64.249 62.300 -0.152 0.000 1.032 59 V CB -0.938 30.741 31.823 -0.238 0.000 0.645 59 V HN 0.388 nan 8.190 nan 0.000 0.447 60 Y N 0.239 120.510 120.300 -0.048 0.000 2.200 60 Y HA -0.122 4.399 4.550 -0.049 0.000 0.290 60 Y C 2.539 178.441 175.900 0.004 0.000 1.137 60 Y CA 1.409 59.514 58.100 0.008 0.000 1.163 60 Y CB -0.593 37.892 38.460 0.041 0.000 0.988 60 Y HN 0.182 nan 8.280 nan 0.000 0.518 61 A N 0.253 123.165 122.820 0.154 0.000 1.873 61 A HA -0.326 3.964 4.320 -0.049 0.000 0.218 61 A C 2.089 179.711 177.584 0.063 0.000 1.193 61 A CA 2.377 54.469 52.037 0.093 0.000 0.629 61 A CB -0.697 18.332 19.000 0.047 0.000 0.826 61 A HN 0.320 nan 8.150 nan 0.000 0.447 62 K N -1.252 119.140 120.400 -0.013 0.000 2.097 62 K HA -0.047 4.243 4.320 -0.049 0.000 0.206 62 K C 1.964 178.536 176.600 -0.047 0.000 1.049 62 K CA 1.610 57.863 56.287 -0.057 0.000 0.933 62 K CB -0.303 32.060 32.500 -0.228 0.000 0.717 62 K HN 0.358 nan 8.250 nan 0.000 0.442 63 M N 0.517 120.023 119.600 -0.157 0.000 2.156 63 M HA -0.070 4.381 4.480 -0.049 0.000 0.264 63 M C 2.024 178.110 176.300 -0.357 0.000 1.067 63 M CA 1.899 56.980 55.300 -0.364 0.000 1.131 63 M CB -0.785 31.466 32.600 -0.581 0.000 1.368 63 M HN 0.312 nan 8.290 nan 0.000 0.416 64 S N -0.159 115.490 115.700 -0.086 0.000 2.402 64 S HA -0.156 4.285 4.470 -0.049 0.000 0.229 64 S C 1.888 176.519 174.600 0.051 0.000 1.021 64 S CA 0.836 59.083 58.200 0.079 0.000 0.974 64 S CB -1.167 62.162 63.200 0.215 0.000 0.800 64 S HN 0.440 nan 8.310 nan 0.000 0.484 65 F N 2.999 122.910 119.950 -0.064 0.000 2.026 65 F HA -0.049 4.449 4.527 -0.048 0.000 0.296 65 F C 2.167 177.910 175.800 -0.094 0.000 1.133 65 F CA 1.337 59.302 58.000 -0.058 0.000 1.188 65 F CB -0.636 38.333 39.000 -0.052 0.000 0.968 65 F HN 0.080 nan 8.300 nan 0.000 0.476 66 L N -0.092 121.020 121.223 -0.185 0.000 2.010 66 L HA -0.236 4.074 4.340 -0.049 0.000 0.219 66 L C 0.262 176.927 176.870 -0.342 0.000 1.077 66 L CA 2.299 56.932 54.840 -0.344 0.000 0.773 66 L CB -1.295 40.567 42.059 -0.329 0.000 0.892 66 L HN 0.298 nan 8.230 nan 0.000 0.436 67 D N -0.914 119.328 120.400 -0.262 0.000 2.440 67 D HA 0.242 4.852 4.640 -0.049 0.000 0.252 67 D C -2.255 174.038 176.300 -0.011 0.000 1.180 67 D CA -2.011 51.900 54.000 -0.148 0.000 0.894 67 D CB 1.483 42.210 40.800 -0.121 0.000 1.111 67 D HN -0.082 nan 8.370 nan 0.000 0.544 68 P HA 0.157 nan 4.420 nan 0.000 0.246 68 P C -0.412 176.935 177.300 0.077 0.000 1.686 68 P CA -0.126 62.998 63.100 0.039 0.000 0.867 68 P CB 0.111 31.803 31.700 -0.013 0.000 1.733 69 S N 2.043 117.824 115.700 0.135 0.000 2.601 69 S HA 0.438 4.878 4.470 -0.049 0.000 0.271 69 S C -2.267 172.381 174.600 0.079 0.000 1.305 69 S CA -1.006 57.256 58.200 0.104 0.000 1.022 69 S CB 0.125 63.389 63.200 0.107 0.000 0.940 69 S HN 0.107 nan 8.310 nan 0.000 0.525 70 P HA 0.397 nan 4.420 nan 0.000 0.290 70 P C -0.922 176.439 177.300 0.101 0.000 1.275 70 P CA -0.561 62.573 63.100 0.057 0.000 0.841 70 P CB 0.804 32.541 31.700 0.062 0.000 1.042 71 G N 1.286 110.151 108.800 0.108 0.000 2.603 71 G HA2 0.520 4.451 3.960 -0.049 0.000 0.324 71 G HA3 0.520 4.451 3.960 -0.049 0.000 0.324 71 G C 0.523 175.366 174.900 -0.095 0.000 1.178 71 G CA -0.041 45.071 45.100 0.020 0.000 1.023 71 G HN 0.784 nan 8.290 nan 0.000 0.482 72 G N 2.472 111.138 108.800 -0.222 0.000 2.582 72 G HA2 -0.282 3.648 3.960 -0.049 0.000 0.288 72 G HA3 -0.282 3.648 3.960 -0.049 0.000 0.288 72 G C 1.881 176.215 174.900 -0.944 0.000 1.247 72 G CA 1.068 45.892 45.100 -0.460 0.000 0.972 72 G HN 1.669 nan 8.290 nan 0.000 0.557 73 S N -0.677 114.743 115.700 -0.467 0.000 2.407 73 S HA -0.292 4.148 4.470 -0.049 0.000 0.235 73 S C 1.923 176.405 174.600 -0.197 0.000 1.036 73 S CA 2.529 60.592 58.200 -0.229 0.000 1.013 73 S CB -0.576 62.687 63.200 0.104 0.000 0.820 73 S HN 1.306 nan 8.310 nan 0.000 0.476 74 Y N 3.132 123.281 120.300 -0.251 0.000 2.081 74 Y HA -0.207 4.312 4.550 -0.050 0.000 0.280 74 Y C 2.541 178.357 175.900 -0.139 0.000 1.163 74 Y CA 1.144 59.152 58.100 -0.154 0.000 1.135 74 Y CB -1.139 37.236 38.460 -0.142 0.000 0.970 74 Y HN 0.250 nan 8.280 nan 0.000 0.498 75 A N -0.126 122.317 122.820 -0.628 0.000 1.877 75 A HA -0.162 4.128 4.320 -0.049 0.000 0.216 75 A C 2.018 179.447 177.584 -0.259 0.000 1.186 75 A CA 1.768 53.472 52.037 -0.555 0.000 0.620 75 A CB -1.465 17.395 19.000 -0.233 0.000 0.822 75 A HN 0.644 nan 8.150 nan 0.000 0.443 76 Y N -0.035 120.161 120.300 -0.173 0.000 2.128 76 Y HA -0.079 4.441 4.550 -0.051 0.000 0.284 76 Y C 2.942 178.749 175.900 -0.156 0.000 1.154 76 Y CA 0.229 58.245 58.100 -0.140 0.000 1.149 76 Y CB -1.512 36.897 38.460 -0.086 0.000 0.976 76 Y HN 0.310 nan 8.280 nan 0.000 0.505 77 A N 0.200 123.030 122.820 0.017 0.000 1.933 77 A HA -0.188 4.102 4.320 -0.049 0.000 0.218 77 A C 2.446 179.980 177.584 -0.083 0.000 1.175 77 A CA 1.585 53.633 52.037 0.019 0.000 0.628 77 A CB -0.711 18.331 19.000 0.071 0.000 0.814 77 A HN 0.400 nan 8.150 nan 0.000 0.444 78 R N -0.446 119.915 120.500 -0.232 0.000 2.081 78 R HA -0.109 4.202 4.340 -0.049 0.000 0.235 78 R C 2.444 178.660 176.300 -0.140 0.000 1.131 78 R CA 1.465 57.435 56.100 -0.217 0.000 0.960 78 R CB -0.199 29.868 30.300 -0.388 0.000 0.856 78 R HN 0.548 nan 8.270 nan 0.000 0.436 79 R N -0.303 120.111 120.500 -0.144 0.000 2.061 79 R HA -0.154 4.156 4.340 -0.049 0.000 0.230 79 R C 2.598 178.799 176.300 -0.165 0.000 1.140 79 R CA 1.549 57.576 56.100 -0.122 0.000 0.940 79 R CB -0.993 29.246 30.300 -0.103 0.000 0.839 79 R HN 0.305 nan 8.270 nan 0.000 0.429 80 C N 0.370 119.524 119.300 -0.244 0.000 2.359 80 C HA -0.151 4.279 4.460 -0.049 0.000 0.277 80 C C 1.426 176.049 174.990 -0.612 0.000 1.192 80 C CA 0.812 59.539 59.018 -0.485 0.000 1.759 80 C CB -0.700 26.648 27.740 -0.654 0.000 2.038 80 C HN 0.231 nan 8.230 nan 0.000 0.448 81 F N -0.252 119.630 119.950 -0.113 0.000 2.750 81 F HA 0.561 5.058 4.527 -0.050 0.000 0.295 81 F C 1.324 177.065 175.800 -0.100 0.000 1.251 81 F CA 0.021 57.950 58.000 -0.119 0.000 1.043 81 F CB -0.988 37.890 39.000 -0.203 0.000 1.928 81 F HN 0.256 nan 8.300 nan 0.000 0.526 82 G N -0.591 108.305 108.800 0.160 0.000 2.588 82 G HA2 0.368 4.299 3.960 -0.049 0.000 0.281 82 G HA3 0.368 4.299 3.960 -0.049 0.000 0.281 82 G C -2.201 172.731 174.900 0.053 0.000 1.236 82 G CA -1.116 44.037 45.100 0.088 0.000 0.969 82 G HN 0.236 nan 8.290 nan 0.000 0.504 83 P HA -0.166 nan 4.420 nan 0.000 0.217 83 P C 1.584 178.934 177.300 0.082 0.000 1.148 83 P CA 0.792 63.973 63.100 0.135 0.000 0.828 83 P CB 0.040 31.877 31.700 0.228 0.000 0.783 84 F N 0.138 119.956 119.950 -0.220 0.000 2.146 84 F HA -0.133 4.365 4.527 -0.049 0.000 0.298 84 F C 1.809 177.436 175.800 -0.288 0.000 1.096 84 F CA 1.289 58.924 58.000 -0.608 0.000 1.275 84 F CB -1.022 37.575 39.000 -0.672 0.000 1.008 84 F HN -0.255 nan 8.300 nan 0.000 0.480 85 L N 0.353 121.296 121.223 -0.467 0.000 2.141 85 L HA -0.044 4.266 4.340 -0.049 0.000 0.209 85 L C 2.734 179.451 176.870 -0.254 0.000 1.094 85 L CA 1.623 56.138 54.840 -0.543 0.000 0.763 85 L CB -2.447 39.311 42.059 -0.500 0.000 0.908 85 L HN 0.346 nan 8.230 nan 0.000 0.437 86 G N -1.148 107.590 108.800 -0.103 0.000 2.433 86 G HA2 -0.367 3.564 3.960 -0.049 0.000 0.216 86 G HA3 -0.367 3.564 3.960 -0.049 0.000 0.216 86 G C 1.621 176.647 174.900 0.211 0.000 1.186 86 G CA 0.830 45.945 45.100 0.025 0.000 0.779 86 G HN 0.356 nan 8.290 nan 0.000 0.543 87 Y N 1.181 121.490 120.300 0.015 0.000 2.069 87 Y HA -0.305 4.216 4.550 -0.049 0.000 0.278 87 Y C 2.977 178.822 175.900 -0.091 0.000 1.175 87 Y CA 2.757 60.850 58.100 -0.011 0.000 1.134 87 Y CB -0.459 38.001 38.460 0.000 0.000 0.965 87 Y HN 0.353 nan 8.280 nan 0.000 0.498 88 Q N -0.766 118.922 119.800 -0.187 0.000 2.084 88 Q HA -0.184 4.126 4.340 -0.049 0.000 0.202 88 Q C 1.986 177.884 176.000 -0.171 0.000 0.978 88 Q CA 2.373 58.017 55.803 -0.265 0.000 0.844 88 Q CB -0.244 28.240 28.738 -0.423 0.000 0.898 88 Q HN 0.554 nan 8.270 nan 0.000 0.426 89 T N 1.413 115.937 114.554 -0.051 0.000 2.684 89 T HA -0.189 4.131 4.350 -0.049 0.000 0.267 89 T C 1.610 176.331 174.700 0.034 0.000 1.036 89 T CA 1.450 63.591 62.100 0.068 0.000 1.148 89 T CB -0.524 68.442 68.868 0.163 0.000 0.863 89 T HN 0.477 nan 8.240 nan 0.000 0.436 90 N N 0.868 119.554 118.700 -0.023 0.000 2.084 90 N HA -0.130 4.581 4.740 -0.049 0.000 0.190 90 N C 1.940 177.306 175.510 -0.241 0.000 1.030 90 N CA 1.433 54.378 53.050 -0.175 0.000 0.849 90 N CB -0.201 37.969 38.487 -0.528 0.000 1.012 90 N HN 0.211 nan 8.380 nan 0.000 0.423 91 V N 2.014 121.690 119.914 -0.397 0.000 2.332 91 V HA -0.232 3.858 4.120 -0.049 0.000 0.248 91 V C 2.597 178.681 176.094 -0.017 0.000 1.055 91 V CA 1.326 63.475 62.300 -0.250 0.000 1.038 91 V CB -0.551 31.078 31.823 -0.323 0.000 0.651 91 V HN 0.316 nan 8.190 nan 0.000 0.450 92 L N -1.460 119.701 121.223 -0.103 0.000 1.994 92 L HA -0.219 4.091 4.340 -0.049 0.000 0.208 92 L C 2.486 179.398 176.870 0.070 0.000 1.071 92 L CA 2.301 57.061 54.840 -0.133 0.000 0.745 92 L CB -0.651 41.299 42.059 -0.181 0.000 0.892 92 L HN 0.369 nan 8.230 nan 0.000 0.431 93 Y N -0.835 119.468 120.300 0.005 0.000 2.224 93 Y HA -0.330 4.190 4.550 -0.051 0.000 0.289 93 Y C 2.429 178.393 175.900 0.107 0.000 1.146 93 Y CA 1.599 59.728 58.100 0.048 0.000 1.182 93 Y CB -0.227 38.261 38.460 0.048 0.000 0.983 93 Y HN 0.242 nan 8.280 nan 0.000 0.524 94 W N 0.845 122.092 121.300 -0.089 0.000 2.354 94 W HA -0.253 4.378 4.660 -0.049 0.000 0.315 94 W C 1.833 178.303 176.519 -0.080 0.000 1.206 94 W CA 2.227 59.531 57.345 -0.068 0.000 1.290 94 W CB -0.691 28.723 29.460 -0.077 0.000 1.152 94 W HN 0.068 nan 8.180 nan 0.000 0.489 95 L N 0.553 121.745 121.223 -0.052 0.000 2.012 95 L HA -0.266 4.044 4.340 -0.049 0.000 0.210 95 L C 2.729 179.148 176.870 -0.752 0.000 1.073 95 L CA 1.712 56.251 54.840 -0.502 0.000 0.748 95 L CB -1.415 40.653 42.059 0.015 0.000 0.891 95 L HN 0.157 nan 8.230 nan 0.000 0.431 96 A N -0.830 121.781 122.820 -0.349 0.000 1.883 96 A HA -0.249 4.041 4.320 -0.049 0.000 0.217 96 A C 2.431 179.659 177.584 -0.593 0.000 1.186 96 A CA 1.922 53.704 52.037 -0.424 0.000 0.624 96 A CB -1.202 17.652 19.000 -0.243 0.000 0.822 96 A HN 0.556 nan 8.150 nan 0.000 0.444 97 C N -0.695 118.258 119.300 -0.577 0.000 2.388 97 C HA -0.176 4.255 4.460 -0.049 0.000 0.277 97 C C 2.728 177.528 174.990 -0.316 0.000 1.210 97 C CA 0.850 59.642 59.018 -0.377 0.000 1.743 97 C CB -1.753 25.891 27.740 -0.160 0.000 2.047 97 C HN 0.924 nan 8.230 nan 0.000 0.458 98 W N 0.993 122.047 121.300 -0.410 0.000 2.436 98 W HA 0.088 4.718 4.660 -0.050 0.000 0.284 98 W C 1.871 178.126 176.519 -0.440 0.000 1.225 98 W CA 0.589 57.695 57.345 -0.399 0.000 1.271 98 W CB -1.284 27.904 29.460 -0.454 0.000 1.114 98 W HN 0.273 nan 8.180 nan 0.000 0.559 99 I N 2.192 122.151 120.570 -1.017 0.000 2.226 99 I HA -0.168 3.972 4.170 -0.049 0.000 0.245 99 I C 2.927 178.655 176.117 -0.648 0.000 1.100 99 I CA 1.896 62.574 61.300 -1.037 0.000 1.374 99 I CB -1.146 36.155 38.000 -1.165 0.000 1.057 99 I HN 0.057 nan 8.210 nan 0.000 0.413 100 G N 0.768 109.262 108.800 -0.510 0.000 2.462 100 G HA2 -0.261 3.669 3.960 -0.049 0.000 0.220 100 G HA3 -0.261 3.669 3.960 -0.049 0.000 0.220 100 G C 1.381 176.151 174.900 -0.218 0.000 1.121 100 G CA 0.697 45.620 45.100 -0.296 0.000 0.758 100 G HN 0.313 nan 8.290 nan 0.000 0.559 101 N N 0.583 119.133 118.700 -0.251 0.000 2.289 101 N HA -0.076 4.634 4.740 -0.049 0.000 0.184 101 N C 2.011 177.449 175.510 -0.121 0.000 1.016 101 N CA 0.468 53.429 53.050 -0.149 0.000 0.872 101 N CB -0.130 38.301 38.487 -0.093 0.000 0.973 101 N HN 0.194 nan 8.380 nan 0.000 0.433 102 I N 0.756 121.214 120.570 -0.187 0.000 2.361 102 I HA -0.119 4.022 4.170 -0.049 0.000 0.251 102 I C 2.148 178.216 176.117 -0.083 0.000 1.133 102 I CA 0.413 61.622 61.300 -0.151 0.000 1.413 102 I CB -1.518 36.308 38.000 -0.291 0.000 1.073 102 I HN 0.007 nan 8.210 nan 0.000 0.424 103 A N 0.587 123.353 122.820 -0.090 0.000 1.854 103 A HA -0.127 4.163 4.320 -0.049 0.000 0.214 103 A C 2.387 180.005 177.584 0.056 0.000 1.192 103 A CA 1.171 53.228 52.037 0.034 0.000 0.611 103 A CB -0.497 18.440 19.000 -0.105 0.000 0.832 103 A HN 0.290 nan 8.150 nan 0.000 0.442 104 M N 0.252 119.857 119.600 0.008 0.000 2.108 104 M HA -0.179 4.271 4.480 -0.049 0.000 0.261 104 M C 2.127 178.412 176.300 -0.025 0.000 1.066 104 M CA 1.993 57.294 55.300 0.002 0.000 1.107 104 M CB -0.718 31.892 32.600 0.016 0.000 1.356 104 M HN 0.400 nan 8.290 nan 0.000 0.406 105 V N -2.055 117.849 119.914 -0.018 0.000 2.255 105 V HA -0.189 3.901 4.120 -0.049 0.000 0.247 105 V C 2.258 178.360 176.094 0.012 0.000 1.051 105 V CA 1.880 64.180 62.300 -0.001 0.000 1.018 105 V CB -1.602 30.229 31.823 0.014 0.000 0.641 105 V HN 0.329 nan 8.190 nan 0.000 0.445 106 V N 0.416 120.356 119.914 0.044 0.000 2.332 106 V HA -0.257 3.834 4.120 -0.049 0.000 0.248 106 V C 2.419 178.519 176.094 0.010 0.000 1.055 106 V CA 2.450 64.796 62.300 0.078 0.000 1.038 106 V CB -0.735 31.183 31.823 0.158 0.000 0.651 106 V HN 0.430 nan 8.190 nan 0.000 0.450 107 I N 0.921 121.443 120.570 -0.080 0.000 2.090 107 I HA -0.155 3.986 4.170 -0.049 0.000 0.236 107 I C 2.671 178.513 176.117 -0.459 0.000 1.064 107 I CA 1.944 63.019 61.300 -0.374 0.000 1.324 107 I CB -0.996 36.723 38.000 -0.467 0.000 1.044 107 I HN 0.391 nan 8.210 nan 0.000 0.399 108 G N -0.164 108.497 108.800 -0.231 0.000 2.462 108 G HA2 -0.168 3.762 3.960 -0.049 0.000 0.220 108 G HA3 -0.168 3.762 3.960 -0.049 0.000 0.220 108 G C 1.628 176.527 174.900 -0.002 0.000 1.121 108 G CA 0.758 45.815 45.100 -0.072 0.000 0.758 108 G HN 0.272 nan 8.290 nan 0.000 0.559 109 V N 0.940 120.845 119.914 -0.015 0.000 2.649 109 V HA 0.069 4.160 4.120 -0.049 0.000 0.248 109 V C 3.027 179.150 176.094 0.049 0.000 1.054 109 V CA 1.452 63.785 62.300 0.055 0.000 1.073 109 V CB -0.278 31.583 31.823 0.063 0.000 0.699 109 V HN 0.409 nan 8.190 nan 0.000 0.463 110 G N -0.733 108.031 108.800 -0.061 0.000 2.446 110 G HA2 -0.302 3.628 3.960 -0.049 0.000 0.217 110 G HA3 -0.302 3.628 3.960 -0.049 0.000 0.217 110 G C 1.381 176.277 174.900 -0.006 0.000 1.168 110 G CA 1.101 46.156 45.100 -0.076 0.000 0.771 110 G HN 0.476 nan 8.290 nan 0.000 0.551 111 Y N 0.748 121.045 120.300 -0.005 0.000 2.193 111 Y HA -0.049 4.473 4.550 -0.046 0.000 0.285 111 Y C 2.677 178.620 175.900 0.073 0.000 1.166 111 Y CA 0.601 58.686 58.100 -0.025 0.000 1.181 111 Y CB -0.598 37.795 38.460 -0.111 0.000 0.976 111 Y HN 0.106 nan 8.280 nan 0.000 0.520 112 L N -0.116 121.304 121.223 0.328 0.000 2.610 112 L HA -0.063 4.247 4.340 -0.049 0.000 0.232 112 L C 2.215 179.342 176.870 0.428 0.000 1.149 112 L CA 0.893 56.022 54.840 0.482 0.000 0.872 112 L CB -0.657 41.702 42.059 0.502 0.000 0.992 112 L HN 0.232 nan 8.230 nan 0.000 0.447 113 S N -1.020 114.839 115.700 0.265 0.000 2.453 113 S HA -0.234 4.206 4.470 -0.049 0.000 0.231 113 S C 1.939 176.612 174.600 0.120 0.000 1.005 113 S CA 0.371 58.691 58.200 0.200 0.000 0.949 113 S CB -0.500 62.773 63.200 0.121 0.000 0.774 113 S HN 0.551 nan 8.310 nan 0.000 0.510 114 Y N 1.777 122.025 120.300 -0.087 0.000 2.097 114 Y HA -0.179 4.344 4.550 -0.046 0.000 0.282 114 Y C 1.627 177.311 175.900 -0.360 0.000 1.152 114 Y CA 2.113 60.037 58.100 -0.294 0.000 1.136 114 Y CB -0.483 37.655 38.460 -0.537 0.000 0.975 114 Y HN 0.289 nan 8.280 nan 0.000 0.498 115 F N -1.326 118.690 119.950 0.110 0.000 2.187 115 F HA 0.021 4.517 4.527 -0.052 0.000 0.295 115 F C 0.496 175.955 175.800 -0.569 0.000 1.091 115 F CA 0.641 58.455 58.000 -0.311 0.000 1.308 115 F CB -0.544 38.124 39.000 -0.553 0.000 1.030 115 F HN -0.158 nan 8.300 nan 0.000 0.487 116 F N 0.578 120.694 119.950 0.276 0.000 2.366 116 F HA 0.396 4.893 4.527 -0.050 0.000 0.357 116 F C -1.843 174.016 175.800 0.098 0.000 1.107 116 F CA -3.027 55.071 58.000 0.163 0.000 1.208 116 F CB 0.107 39.203 39.000 0.161 0.000 1.464 116 F HN -0.234 nan 8.300 nan 0.000 0.501 117 P HA -0.283 nan 4.420 nan 0.000 0.218 117 P C 2.184 179.543 177.300 0.099 0.000 1.154 117 P CA 1.574 64.721 63.100 0.078 0.000 0.872 117 P CB 0.386 32.106 31.700 0.033 0.000 0.790 118 I N -1.074 119.575 120.570 0.131 0.000 2.399 118 I HA -0.223 3.917 4.170 -0.049 0.000 0.254 118 I C 1.521 177.700 176.117 0.103 0.000 1.146 118 I CA 1.097 62.460 61.300 0.104 0.000 1.412 118 I CB -0.274 37.794 38.000 0.112 0.000 1.076 118 I HN -0.117 nan 8.210 nan 0.000 0.432 119 L N 1.710 123.020 121.223 0.145 0.000 2.885 119 L HA -0.123 4.187 4.340 -0.049 0.000 0.258 119 L C 1.679 178.601 176.870 0.086 0.000 1.146 119 L CA 0.398 55.315 54.840 0.128 0.000 0.922 119 L CB -0.639 41.531 42.059 0.184 0.000 1.138 119 L HN 0.365 nan 8.230 nan 0.000 0.431 120 K N -1.114 119.321 120.400 0.058 0.000 2.481 120 K HA 0.065 4.355 4.320 -0.049 0.000 0.210 120 K C 0.073 176.667 176.600 -0.010 0.000 1.161 120 K CA -0.187 56.115 56.287 0.025 0.000 1.023 120 K CB -0.082 32.428 32.500 0.018 0.000 0.971 120 K HN 0.072 nan 8.250 nan 0.000 0.577 121 D N 2.724 123.117 120.400 -0.012 0.000 2.390 121 D HA 0.136 4.746 4.640 -0.049 0.000 0.249 121 D C -1.606 174.671 176.300 -0.040 0.000 1.144 121 D CA -1.573 52.384 54.000 -0.072 0.000 0.880 121 D CB 1.651 42.416 40.800 -0.059 0.000 1.182 121 D HN -0.083 nan 8.370 nan 0.000 0.451 122 P HA -0.097 nan 4.420 nan 0.000 0.217 122 P C 0.937 178.331 177.300 0.157 0.000 1.150 122 P CA 0.833 63.930 63.100 -0.005 0.000 0.832 122 P CB 0.023 31.689 31.700 -0.056 0.000 0.787 123 W N -0.404 120.902 121.300 0.009 0.000 2.353 123 W HA -0.097 4.533 4.660 -0.050 0.000 0.319 123 W C 2.278 178.807 176.519 0.016 0.000 1.207 123 W CA 0.504 57.855 57.345 0.010 0.000 1.291 123 W CB -1.828 27.637 29.460 0.009 0.000 1.159 123 W HN -0.219 nan 8.180 nan 0.000 0.478 124 V N 0.750 120.825 119.914 0.268 0.000 2.332 124 V HA -0.302 3.788 4.120 -0.049 0.000 0.248 124 V C 2.401 178.569 176.094 0.123 0.000 1.055 124 V CA 1.606 64.003 62.300 0.161 0.000 1.038 124 V CB -1.183 30.713 31.823 0.122 0.000 0.651 124 V HN 0.135 nan 8.190 nan 0.000 0.450 125 L N -0.283 121.009 121.223 0.115 0.000 1.989 125 L HA -0.230 4.080 4.340 -0.049 0.000 0.211 125 L C 2.605 179.531 176.870 0.094 0.000 1.071 125 L CA 2.550 57.445 54.840 0.092 0.000 0.749 125 L CB -0.674 41.428 42.059 0.073 0.000 0.890 125 L HN 0.395 nan 8.230 nan 0.000 0.431 126 T N 0.445 115.066 114.554 0.112 0.000 2.652 126 T HA -0.225 4.095 4.350 -0.049 0.000 0.267 126 T C 1.880 176.636 174.700 0.093 0.000 1.039 126 T CA 1.874 64.034 62.100 0.101 0.000 1.153 126 T CB -0.307 68.630 68.868 0.116 0.000 0.863 126 T HN 0.259 nan 8.240 nan 0.000 0.428 127 I N 1.227 121.854 120.570 0.096 0.000 2.127 127 I HA -0.225 3.915 4.170 -0.049 0.000 0.241 127 I C 2.737 178.902 176.117 0.080 0.000 1.075 127 I CA 1.419 62.765 61.300 0.077 0.000 1.334 127 I CB -0.935 37.104 38.000 0.065 0.000 1.040 127 I HN 0.269 nan 8.210 nan 0.000 0.405 128 T N -0.043 114.556 114.554 0.076 0.000 2.803 128 T HA -0.214 4.106 4.350 -0.049 0.000 0.269 128 T C 2.015 176.766 174.700 0.085 0.000 1.052 128 T CA 1.425 63.566 62.100 0.068 0.000 1.136 128 T CB -0.577 68.326 68.868 0.058 0.000 0.864 128 T HN 0.420 nan 8.240 nan 0.000 0.467 129 C N 0.889 120.241 119.300 0.087 0.000 2.432 129 C HA -0.023 4.408 4.460 -0.049 0.000 0.277 129 C C 2.889 177.940 174.990 0.101 0.000 1.249 129 C CA 0.311 59.381 59.018 0.086 0.000 1.725 129 C CB -1.120 26.663 27.740 0.072 0.000 2.028 129 C HN 0.396 nan 8.230 nan 0.000 0.477 130 V N 0.480 120.465 119.914 0.118 0.000 2.343 130 V HA -0.190 3.901 4.120 -0.049 0.000 0.247 130 V C 2.390 178.634 176.094 0.250 0.000 1.051 130 V CA 1.975 64.378 62.300 0.171 0.000 1.036 130 V CB -0.857 31.083 31.823 0.195 0.000 0.654 130 V HN 0.453 nan 8.190 nan 0.000 0.451 131 V N -0.116 119.915 119.914 0.195 0.000 2.282 131 V HA -0.255 3.835 4.120 -0.049 0.000 0.249 131 V C 2.443 178.651 176.094 0.190 0.000 1.057 131 V CA 2.145 64.558 62.300 0.188 0.000 1.032 131 V CB -0.505 31.379 31.823 0.101 0.000 0.645 131 V HN 0.424 nan 8.190 nan 0.000 0.447 132 V N -0.533 119.478 119.914 0.161 0.000 2.427 132 V HA -0.231 3.860 4.120 -0.049 0.000 0.248 132 V C 2.291 178.547 176.094 0.269 0.000 1.051 132 V CA 1.723 64.142 62.300 0.199 0.000 1.048 132 V CB -0.495 31.453 31.823 0.209 0.000 0.666 132 V HN 0.436 nan 8.190 nan 0.000 0.456 133 L N -1.573 119.746 121.223 0.160 0.000 1.990 133 L HA -0.252 4.059 4.340 -0.049 0.000 0.213 133 L C 2.410 179.271 176.870 -0.015 0.000 1.072 133 L CA 2.349 57.205 54.840 0.027 0.000 0.755 133 L CB -0.521 41.449 42.059 -0.150 0.000 0.889 133 L HN 0.381 nan 8.230 nan 0.000 0.432 134 W N -0.248 121.107 121.300 0.092 0.000 2.388 134 W HA -0.122 4.509 4.660 -0.049 0.000 0.294 134 W C 2.415 178.954 176.519 0.033 0.000 1.212 134 W CA 0.453 57.832 57.345 0.055 0.000 1.271 134 W CB -0.177 29.298 29.460 0.025 0.000 1.126 134 W HN 0.035 nan 8.180 nan 0.000 0.535 135 I N -0.898 119.802 120.570 0.216 0.000 2.208 135 I HA -0.348 3.792 4.170 -0.049 0.000 0.245 135 I C 1.906 177.961 176.117 -0.103 0.000 1.097 135 I CA 1.446 62.748 61.300 0.004 0.000 1.363 135 I CB -0.512 37.415 38.000 -0.121 0.000 1.051 135 I HN -0.093 nan 8.210 nan 0.000 0.413 136 F N -0.307 119.681 119.950 0.063 0.000 2.325 136 F HA -0.116 4.381 4.527 -0.049 0.000 0.299 136 F C 2.252 178.073 175.800 0.036 0.000 1.090 136 F CA 0.789 58.812 58.000 0.038 0.000 1.392 136 F CB -0.630 38.383 39.000 0.020 0.000 1.053 136 F HN -0.169 nan 8.300 nan 0.000 0.521 137 V N 0.155 120.173 119.914 0.172 0.000 2.270 137 V HA -0.292 3.798 4.120 -0.049 0.000 0.245 137 V C 2.405 178.597 176.094 0.163 0.000 1.043 137 V CA 1.570 63.945 62.300 0.126 0.000 1.014 137 V CB -0.808 31.059 31.823 0.072 0.000 0.645 137 V HN 0.274 nan 8.190 nan 0.000 0.447 138 L N -0.588 120.742 121.223 0.178 0.000 1.990 138 L HA -0.249 4.061 4.340 -0.049 0.000 0.213 138 L C 2.527 179.439 176.870 0.069 0.000 1.072 138 L CA 1.761 56.671 54.840 0.116 0.000 0.755 138 L CB -0.683 41.425 42.059 0.082 0.000 0.889 138 L HN 0.300 nan 8.230 nan 0.000 0.432 139 L N -0.457 120.788 121.223 0.036 0.000 2.013 139 L HA -0.274 4.036 4.340 -0.049 0.000 0.212 139 L C 2.462 179.377 176.870 0.076 0.000 1.073 139 L CA 1.407 56.264 54.840 0.027 0.000 0.753 139 L CB -0.755 41.291 42.059 -0.022 0.000 0.890 139 L HN 0.431 nan 8.230 nan 0.000 0.432 140 N N 0.224 118.990 118.700 0.110 0.000 2.205 140 N HA -0.170 4.540 4.740 -0.049 0.000 0.186 140 N C 1.855 177.418 175.510 0.088 0.000 1.015 140 N CA 1.394 54.507 53.050 0.104 0.000 0.862 140 N CB -0.075 38.481 38.487 0.115 0.000 0.986 140 N HN 0.401 nan 8.380 nan 0.000 0.429 141 I N 0.431 121.054 120.570 0.088 0.000 2.353 141 I HA -0.175 3.965 4.170 -0.049 0.000 0.248 141 I C 2.092 178.246 176.117 0.061 0.000 1.119 141 I CA 0.461 61.809 61.300 0.079 0.000 1.417 141 I CB -0.076 37.977 38.000 0.088 0.000 1.078 141 I HN -0.116 nan 8.210 nan 0.000 0.421 142 V N 0.723 120.670 119.914 0.054 0.000 2.332 142 V HA -0.081 4.009 4.120 -0.049 0.000 0.248 142 V C 1.065 177.187 176.094 0.047 0.000 1.055 142 V CA 1.574 63.899 62.300 0.043 0.000 1.038 142 V CB -1.220 30.623 31.823 0.033 0.000 0.651 142 V HN 0.677 nan 8.190 nan 0.000 0.450 143 G N -2.336 106.496 108.800 0.054 0.000 2.361 143 G HA2 0.138 4.069 3.960 -0.049 0.000 0.305 143 G HA3 0.138 4.069 3.960 -0.049 0.000 0.305 143 G C -2.731 172.201 174.900 0.053 0.000 1.367 143 G CA -0.150 44.983 45.100 0.054 0.000 0.951 143 G HN -0.006 nan 8.290 nan 0.000 0.615 144 P HA -0.023 nan 4.420 nan 0.000 0.215 144 P C 1.809 179.129 177.300 0.033 0.000 1.153 144 P CA 1.495 64.617 63.100 0.036 0.000 0.853 144 P CB 0.121 31.836 31.700 0.025 0.000 0.788 145 K N -1.278 119.143 120.400 0.035 0.000 2.032 145 K HA -0.123 4.168 4.320 -0.049 0.000 0.209 145 K C 2.180 178.803 176.600 0.039 0.000 1.048 145 K CA 1.320 57.627 56.287 0.035 0.000 0.927 145 K CB -0.499 32.025 32.500 0.039 0.000 0.712 145 K HN 0.054 nan 8.250 nan 0.000 0.441 146 M N 0.477 120.103 119.600 0.043 0.000 2.132 146 M HA -0.119 4.332 4.480 -0.049 0.000 0.263 146 M C 2.190 178.525 176.300 0.060 0.000 1.065 146 M CA 1.338 56.665 55.300 0.045 0.000 1.122 146 M CB -0.428 32.196 32.600 0.041 0.000 1.365 146 M HN 0.089 nan 8.290 nan 0.000 0.411 147 I N 0.000 120.612 120.570 0.070 0.000 2.315 147 I HA -0.220 3.920 4.170 -0.049 0.000 0.248 147 I C 2.141 178.303 176.117 0.075 0.000 1.117 147 I CA 1.479 62.837 61.300 0.098 0.000 1.404 147 I CB -0.480 37.578 38.000 0.098 0.000 1.071 147 I HN 0.255 nan 8.210 nan 0.000 0.419 148 T N -0.231 114.349 114.554 0.044 0.000 2.737 148 T HA -0.182 4.139 4.350 -0.049 0.000 0.265 148 T C 2.072 176.792 174.700 0.033 0.000 1.038 148 T CA 1.422 63.537 62.100 0.024 0.000 1.144 148 T CB -0.216 68.659 68.868 0.012 0.000 0.866 148 T HN 0.247 nan 8.240 nan 0.000 0.434 149 R N 0.657 121.181 120.500 0.040 0.000 2.091 149 R HA -0.098 4.212 4.340 -0.049 0.000 0.238 149 R C 2.253 178.585 176.300 0.053 0.000 1.136 149 R CA 1.320 57.444 56.100 0.041 0.000 0.959 149 R CB -0.548 29.776 30.300 0.039 0.000 0.856 149 R HN 0.233 nan 8.270 nan 0.000 0.437 150 V N 0.704 120.660 119.914 0.071 0.000 2.358 150 V HA -0.248 3.842 4.120 -0.049 0.000 0.246 150 V C 2.431 178.585 176.094 0.100 0.000 1.047 150 V CA 2.123 64.482 62.300 0.099 0.000 1.035 150 V CB -0.669 31.241 31.823 0.145 0.000 0.658 150 V HN 0.476 nan 8.190 nan 0.000 0.452 151 Q N 0.190 120.038 119.800 0.080 0.000 2.084 151 Q HA -0.199 4.111 4.340 -0.049 0.000 0.202 151 Q C 2.218 178.238 176.000 0.033 0.000 0.978 151 Q CA 2.004 57.833 55.803 0.044 0.000 0.844 151 Q CB -0.325 28.416 28.738 0.005 0.000 0.898 151 Q HN 0.626 nan 8.270 nan 0.000 0.426 152 A N -0.135 122.704 122.820 0.032 0.000 1.851 152 A HA -0.168 4.122 4.320 -0.049 0.000 0.216 152 A C 2.224 179.831 177.584 0.040 0.000 1.195 152 A CA 1.763 53.817 52.037 0.028 0.000 0.622 152 A CB -0.988 18.028 19.000 0.026 0.000 0.831 152 A HN 0.308 nan 8.150 nan 0.000 0.444 153 V N -0.027 119.918 119.914 0.051 0.000 2.392 153 V HA -0.251 3.839 4.120 -0.049 0.000 0.249 153 V C 3.006 179.143 176.094 0.072 0.000 1.059 153 V CA 1.933 64.271 62.300 0.063 0.000 1.051 153 V CB -1.370 30.495 31.823 0.071 0.000 0.658 153 V HN 0.637 nan 8.190 nan 0.000 0.455 154 A N 0.626 123.486 122.820 0.067 0.000 1.877 154 A HA -0.247 4.043 4.320 -0.049 0.000 0.216 154 A C 2.562 180.177 177.584 0.053 0.000 1.186 154 A CA 2.667 54.739 52.037 0.058 0.000 0.620 154 A CB -1.062 17.970 19.000 0.054 0.000 0.822 154 A HN 0.593 nan 8.150 nan 0.000 0.443 155 T N -0.791 113.789 114.554 0.043 0.000 2.737 155 T HA -0.153 4.167 4.350 -0.049 0.000 0.265 155 T C 1.844 176.573 174.700 0.048 0.000 1.038 155 T CA 2.756 64.880 62.100 0.040 0.000 1.144 155 T CB -1.274 67.604 68.868 0.016 0.000 0.866 155 T HN 0.761 nan 8.240 nan 0.000 0.434 156 V N 0.950 120.891 119.914 0.045 0.000 2.332 156 V HA -0.087 4.004 4.120 -0.049 0.000 0.248 156 V C 2.780 178.916 176.094 0.070 0.000 1.055 156 V CA 1.920 64.247 62.300 0.046 0.000 1.038 156 V CB -1.524 30.324 31.823 0.041 0.000 0.651 156 V HN 0.482 nan 8.190 nan 0.000 0.450 157 L N 0.902 122.181 121.223 0.095 0.000 2.043 157 L HA -0.167 4.143 4.340 -0.049 0.000 0.212 157 L C 2.917 179.879 176.870 0.154 0.000 1.075 157 L CA 2.044 56.967 54.840 0.139 0.000 0.752 157 L CB -0.812 41.355 42.059 0.180 0.000 0.891 157 L HN 0.455 nan 8.230 nan 0.000 0.432 158 A N -0.897 122.009 122.820 0.142 0.000 2.119 158 A HA -0.036 4.254 4.320 -0.049 0.000 0.217 158 A C 2.187 179.878 177.584 0.178 0.000 1.153 158 A CA 0.880 53.054 52.037 0.228 0.000 0.692 158 A CB -0.429 18.711 19.000 0.233 0.000 0.799 158 A HN 0.390 nan 8.150 nan 0.000 0.458 159 L N -0.723 120.548 121.223 0.081 0.000 2.270 159 L HA -0.043 4.267 4.340 -0.049 0.000 0.210 159 L C 2.195 179.079 176.870 0.023 0.000 1.104 159 L CA 0.444 55.293 54.840 0.014 0.000 0.804 159 L CB -0.446 41.611 42.059 -0.004 0.000 0.937 159 L HN 0.381 nan 8.230 nan 0.000 0.450 160 I N 0.841 121.450 120.570 0.065 0.000 2.087 160 I HA -0.282 3.858 4.170 -0.049 0.000 0.240 160 I C -0.318 175.840 176.117 0.067 0.000 1.054 160 I CA 1.923 63.264 61.300 0.068 0.000 1.311 160 I CB -1.580 36.477 38.000 0.096 0.000 1.024 160 I HN 0.242 nan 8.210 nan 0.000 0.402 161 P HA -0.092 nan 4.420 nan 0.000 0.219 161 P C 1.679 178.979 177.300 -0.000 0.000 1.150 161 P CA 1.228 64.388 63.100 0.099 0.000 0.814 161 P CB 0.065 31.910 31.700 0.242 0.000 0.787 162 I N -1.028 119.503 120.570 -0.066 0.000 2.193 162 I HA -0.152 3.988 4.170 -0.049 0.000 0.240 162 I C 2.405 178.456 176.117 -0.110 0.000 1.084 162 I CA 1.149 62.366 61.300 -0.138 0.000 1.365 162 I CB -1.352 36.515 38.000 -0.221 0.000 1.064 162 I HN -0.239 nan 8.210 nan 0.000 0.410 163 V N 0.919 120.778 119.914 -0.092 0.000 2.324 163 V HA -0.308 3.783 4.120 -0.049 0.000 0.250 163 V C 2.494 178.498 176.094 -0.151 0.000 1.060 163 V CA 2.270 64.506 62.300 -0.107 0.000 1.042 163 V CB -1.508 30.267 31.823 -0.081 0.000 0.650 163 V HN 0.597 nan 8.190 nan 0.000 0.450 164 G N -0.531 108.215 108.800 -0.090 0.000 2.453 164 G HA2 -0.227 3.703 3.960 -0.049 0.000 0.215 164 G HA3 -0.227 3.703 3.960 -0.049 0.000 0.215 164 G C 1.556 176.426 174.900 -0.050 0.000 1.201 164 G CA 1.072 46.140 45.100 -0.054 0.000 0.784 164 G HN 0.468 nan 8.290 nan 0.000 0.545 165 I N 1.485 122.025 120.570 -0.051 0.000 2.264 165 I HA -0.245 3.895 4.170 -0.049 0.000 0.248 165 I C 3.293 179.347 176.117 -0.105 0.000 1.111 165 I CA 0.999 62.245 61.300 -0.091 0.000 1.382 165 I CB -0.298 37.573 38.000 -0.216 0.000 1.060 165 I HN 0.281 nan 8.210 nan 0.000 0.418 166 A N 0.538 123.278 122.820 -0.133 0.000 1.835 166 A HA -0.180 4.111 4.320 -0.049 0.000 0.215 166 A C 2.418 179.902 177.584 -0.167 0.000 1.199 166 A CA 1.845 53.809 52.037 -0.121 0.000 0.615 166 A CB -1.140 17.794 19.000 -0.109 0.000 0.838 166 A HN 0.208 nan 8.150 nan 0.000 0.444 167 V N -1.269 118.444 119.914 -0.336 0.000 2.453 167 V HA -0.227 3.863 4.120 -0.049 0.000 0.252 167 V C 1.733 177.441 176.094 -0.643 0.000 1.068 167 V CA 1.924 63.882 62.300 -0.569 0.000 1.070 167 V CB -0.798 30.518 31.823 -0.845 0.000 0.664 167 V HN 0.567 nan 8.190 nan 0.000 0.461 168 F N -0.321 119.561 119.950 -0.114 0.000 2.639 168 F HA 0.409 4.931 4.527 -0.008 0.000 0.302 168 F C 1.786 177.659 175.800 0.121 0.000 1.097 168 F CA 0.238 58.190 58.000 -0.080 0.000 1.294 168 F CB -0.313 38.765 39.000 0.130 0.000 1.027 168 F HN 0.086 nan 8.300 nan 0.000 0.550 169 G N -1.619 107.280 108.800 0.164 0.000 3.020 169 G HA2 -0.144 3.787 3.960 -0.049 0.000 0.217 169 G HA3 -0.144 3.787 3.960 -0.049 0.000 0.217 169 G C 1.276 176.333 174.900 0.262 0.000 1.144 169 G CA -0.173 45.047 45.100 0.201 0.000 0.760 169 G HN 0.442 nan 8.290 nan 0.000 0.548 170 W N 1.218 122.512 121.300 -0.009 0.000 2.388 170 W HA 0.061 4.701 4.660 -0.034 0.000 0.294 170 W C 1.735 178.373 176.519 0.197 0.000 1.212 170 W CA 0.994 58.389 57.345 0.083 0.000 1.271 170 W CB -0.101 29.288 29.460 -0.118 0.000 1.126 170 W HN 0.117 nan 8.180 nan 0.000 0.535 171 F N -1.146 119.006 119.950 0.338 0.000 2.171 171 F HA -0.095 4.416 4.527 -0.026 0.000 0.300 171 F C 1.367 177.070 175.800 -0.162 0.000 1.090 171 F CA 0.945 58.943 58.000 -0.004 0.000 1.293 171 F CB -1.733 37.269 39.000 0.003 0.000 1.013 171 F HN -0.099 nan 8.300 nan 0.000 0.486 172 W N -2.066 119.355 121.300 0.202 0.000 3.290 172 W HA 0.193 4.818 4.660 -0.058 0.000 0.287 172 W C 0.507 177.088 176.519 0.103 0.000 1.288 172 W CA -0.709 56.703 57.345 0.112 0.000 1.725 172 W CB -0.573 28.935 29.460 0.080 0.000 1.103 172 W HN -0.301 nan 8.180 nan 0.000 0.670 173 F N 2.734 122.734 119.950 0.083 0.000 2.538 173 F HA 0.294 4.784 4.527 -0.062 0.000 0.371 173 F C 0.929 176.699 175.800 -0.050 0.000 1.087 173 F CA -0.386 57.611 58.000 -0.006 0.000 1.250 173 F CB 0.270 39.207 39.000 -0.104 0.000 1.110 173 F HN -0.112 nan 8.300 nan 0.000 0.570 174 R N 1.790 122.653 120.500 0.605 0.000 2.936 174 R HA 0.486 4.796 4.340 -0.049 0.000 0.095 174 R C -0.390 176.039 176.300 0.214 0.000 0.565 174 R CA -0.638 55.600 56.100 0.229 0.000 0.363 174 R CB -0.142 30.251 30.300 0.156 0.000 0.398 174 R HN 0.688 nan 8.270 nan 0.000 0.321 175 G N 0.709 109.602 108.800 0.155 0.000 2.377 175 G HA2 0.389 4.319 3.960 -0.049 0.000 0.299 175 G HA3 0.389 4.319 3.960 -0.049 0.000 0.299 175 G C -0.997 174.002 174.900 0.166 0.000 1.150 175 G CA -0.204 44.975 45.100 0.132 0.000 0.847 175 G HN 0.304 nan 8.290 nan 0.000 0.501 176 E N 1.233 121.540 120.200 0.178 0.000 2.114 176 E HA 0.226 4.546 4.350 -0.049 0.000 0.266 176 E C -0.294 176.415 176.600 0.182 0.000 0.896 176 E CA -0.441 56.075 56.400 0.195 0.000 0.750 176 E CB 1.232 31.099 29.700 0.279 0.000 1.121 176 E HN 0.546 nan 8.360 nan 0.000 0.413 177 T N 0.736 115.368 114.554 0.129 0.000 2.738 177 T HA 0.080 4.400 4.350 -0.049 0.000 0.293 177 T C 0.107 174.890 174.700 0.138 0.000 0.913 177 T CA -0.238 61.936 62.100 0.123 0.000 1.103 177 T CB 0.284 69.197 68.868 0.075 0.000 0.880 177 T HN 0.440 nan 8.240 nan 0.000 0.526 178 Y N 2.427 122.760 120.300 0.056 0.000 2.500 178 Y HA 0.535 5.054 4.550 -0.052 0.000 0.246 178 Y C 0.878 176.830 175.900 0.086 0.000 1.146 178 Y CA -0.391 57.743 58.100 0.057 0.000 1.230 178 Y CB 0.525 39.018 38.460 0.054 0.000 1.214 178 Y HN 0.825 nan 8.280 nan 0.000 0.526 179 M N 0.404 120.142 119.600 0.228 0.000 2.181 179 M HA 0.878 5.329 4.480 -0.049 0.000 0.323 179 M C -0.563 175.806 176.300 0.114 0.000 1.004 179 M CA 0.048 55.459 55.300 0.184 0.000 0.941 179 M CB 0.230 32.925 32.600 0.159 0.000 1.579 179 M HN 0.386 nan 8.290 nan 0.000 0.427 193 I N 1.154 121.744 120.570 0.034 0.000 2.264 193 I HA -0.180 3.961 4.170 -0.049 0.000 0.248 193 I C 2.375 178.517 176.117 0.041 0.000 1.111 193 I CA 2.980 64.311 61.300 0.051 0.000 1.382 193 I CB -1.711 36.329 38.000 0.067 0.000 1.060 193 I HN 0.730 nan 8.210 nan 0.000 0.418 194 Q N 1.487 121.300 119.800 0.022 0.000 1.935 194 Q HA -0.347 3.964 4.340 -0.049 0.000 0.212 194 Q C 2.591 178.593 176.000 0.004 0.000 1.008 194 Q CA 3.564 59.370 55.803 0.005 0.000 0.868 194 Q CB -0.404 28.332 28.738 -0.002 0.000 0.946 194 Q HN 0.858 nan 8.270 nan 0.000 0.418 195 S N -0.456 115.245 115.700 0.002 0.000 2.447 195 S HA -0.123 4.317 4.470 -0.049 0.000 0.233 195 S C 2.050 176.653 174.600 0.006 0.000 1.006 195 S CA 1.655 59.852 58.200 -0.005 0.000 0.957 195 S CB -0.871 62.322 63.200 -0.012 0.000 0.773 195 S HN 0.688 nan 8.310 nan 0.000 0.507 196 T N 0.151 114.718 114.554 0.021 0.000 2.867 196 T HA 0.022 4.342 4.350 -0.049 0.000 0.268 196 T C 1.687 176.430 174.700 0.072 0.000 1.057 196 T CA 1.011 63.134 62.100 0.038 0.000 1.136 196 T CB -0.665 68.228 68.868 0.041 0.000 0.874 196 T HN 0.273 nan 8.240 nan 0.000 0.466 197 L N 2.181 123.444 121.223 0.067 0.000 2.093 197 L HA 0.083 4.393 4.340 -0.049 0.000 0.208 197 L C 2.159 179.068 176.870 0.065 0.000 1.085 197 L CA 1.333 56.220 54.840 0.077 0.000 0.755 197 L CB -1.280 40.788 42.059 0.014 0.000 0.904 197 L HN 0.367 nan 8.230 nan 0.000 0.435 198 N N -0.835 117.885 118.700 0.034 0.000 2.025 198 N HA -0.194 4.516 4.740 -0.049 0.000 0.194 198 N C 1.731 177.297 175.510 0.093 0.000 1.044 198 N CA 1.880 54.950 53.050 0.033 0.000 0.851 198 N CB -0.229 38.248 38.487 -0.016 0.000 1.036 198 N HN 0.250 nan 8.380 nan 0.000 0.422 199 V N 1.057 121.013 119.914 0.069 0.000 2.332 199 V HA -0.239 3.851 4.120 -0.049 0.000 0.248 199 V C 2.781 179.015 176.094 0.234 0.000 1.055 199 V CA 2.263 64.633 62.300 0.117 0.000 1.038 199 V CB -1.084 30.770 31.823 0.052 0.000 0.651 199 V HN 0.528 nan 8.190 nan 0.000 0.450 200 T N -0.610 114.075 114.554 0.217 0.000 2.821 200 T HA -0.132 4.188 4.350 -0.049 0.000 0.267 200 T C 1.859 176.792 174.700 0.388 0.000 1.046 200 T CA 1.558 63.843 62.100 0.307 0.000 1.139 200 T CB -0.289 68.795 68.868 0.360 0.000 0.871 200 T HN 0.390 nan 8.240 nan 0.000 0.454 201 L N -0.345 121.076 121.223 0.329 0.000 2.017 201 L HA 0.013 4.323 4.340 -0.049 0.000 0.208 201 L C 2.662 179.750 176.870 0.362 0.000 1.073 201 L CA 1.809 56.852 54.840 0.338 0.000 0.745 201 L CB -0.739 41.433 42.059 0.188 0.000 0.894 201 L HN 0.518 nan 8.230 nan 0.000 0.432 202 W N 1.039 122.410 121.300 0.118 0.000 2.335 202 W HA -0.242 4.388 4.660 -0.050 0.000 0.311 202 W C 2.252 178.826 176.519 0.092 0.000 1.213 202 W CA 1.842 59.226 57.345 0.065 0.000 1.274 202 W CB -0.316 29.142 29.460 -0.002 0.000 1.148 202 W HN 0.090 nan 8.180 nan 0.000 0.498 203 S N 0.440 116.246 115.700 0.177 0.000 2.493 203 S HA -0.166 4.274 4.470 -0.049 0.000 0.243 203 S C 0.829 175.246 174.600 -0.305 0.000 0.991 203 S CA 1.096 59.258 58.200 -0.064 0.000 0.957 203 S CB -0.583 62.563 63.200 -0.088 0.000 0.756 203 S HN 0.245 nan 8.310 nan 0.000 0.521 204 F N 0.019 119.984 119.950 0.023 0.000 2.683 204 F HA 0.446 4.939 4.527 -0.057 0.000 0.306 204 F C 0.179 176.053 175.800 0.123 0.000 1.102 204 F CA -0.738 57.301 58.000 0.065 0.000 1.244 204 F CB 0.236 39.267 39.000 0.051 0.000 1.029 204 F HN -0.010 nan 8.300 nan 0.000 0.545 205 I N -0.096 120.579 120.570 0.173 0.000 2.575 205 I HA 0.410 4.550 4.170 -0.049 0.000 0.285 205 I C 1.203 177.477 176.117 0.263 0.000 1.085 205 I CA 0.872 62.307 61.300 0.225 0.000 1.403 205 I CB 0.859 38.851 38.000 -0.014 0.000 1.409 205 I HN 0.313 nan 8.210 nan 0.000 0.557 206 G N 3.108 112.143 108.800 0.391 0.000 2.551 206 G HA2 -0.193 3.738 3.960 -0.049 0.000 0.186 206 G HA3 -0.193 3.738 3.960 -0.049 0.000 0.186 206 G C 0.850 175.803 174.900 0.088 0.000 1.002 206 G CA 0.008 45.270 45.100 0.270 0.000 0.723 206 G HN 0.423 nan 8.290 nan 0.000 0.481 207 V N 2.050 122.031 119.914 0.112 0.000 2.313 207 V HA -0.254 3.836 4.120 -0.049 0.000 0.253 207 V C 2.662 178.638 176.094 -0.198 0.000 1.070 207 V CA 3.127 65.420 62.300 -0.013 0.000 1.057 207 V CB -0.399 31.404 31.823 -0.034 0.000 0.653 207 V HN 0.726 nan 8.190 nan 0.000 0.450 208 E N 0.710 120.740 120.200 -0.284 0.000 2.511 208 E HA -0.062 4.258 4.350 -0.049 0.000 0.196 208 E C 1.952 178.347 176.600 -0.342 0.000 1.066 208 E CA 0.853 56.847 56.400 -0.676 0.000 0.871 208 E CB -0.826 28.506 29.700 -0.614 0.000 0.863 208 E HN 0.751 nan 8.360 nan 0.000 0.520 209 S N 1.340 116.918 115.700 -0.203 0.000 2.351 209 S HA -0.195 4.246 4.470 -0.049 0.000 0.220 209 S C 2.280 176.794 174.600 -0.145 0.000 1.035 209 S CA 0.994 59.074 58.200 -0.201 0.000 1.031 209 S CB -0.865 62.140 63.200 -0.324 0.000 0.928 209 S HN 0.382 nan 8.310 nan 0.000 0.433 210 A N 1.823 124.575 122.820 -0.114 0.000 1.892 210 A HA -0.110 4.180 4.320 -0.049 0.000 0.218 210 A C 2.485 180.057 177.584 -0.020 0.000 1.188 210 A CA 2.372 54.374 52.037 -0.057 0.000 0.631 210 A CB -1.557 17.426 19.000 -0.030 0.000 0.822 210 A HN 0.647 nan 8.150 nan 0.000 0.447 211 S N -0.752 114.944 115.700 -0.008 0.000 2.387 211 S HA -0.145 4.295 4.470 -0.049 0.000 0.230 211 S C 1.862 176.474 174.600 0.020 0.000 1.035 211 S CA 1.840 60.089 58.200 0.081 0.000 1.014 211 S CB -0.511 62.816 63.200 0.212 0.000 0.836 211 S HN 0.310 nan 8.310 nan 0.000 0.466 212 V N 1.470 121.349 119.914 -0.058 0.000 2.453 212 V HA 0.085 4.176 4.120 -0.049 0.000 0.247 212 V C 2.435 178.528 176.094 -0.001 0.000 1.048 212 V CA 1.530 63.797 62.300 -0.055 0.000 1.049 212 V CB -0.982 30.805 31.823 -0.059 0.000 0.672 212 V HN 0.604 nan 8.190 nan 0.000 0.457 213 A N -0.377 122.436 122.820 -0.011 0.000 2.359 213 A HA 0.510 4.800 4.320 -0.049 0.000 0.240 213 A C 2.054 179.641 177.584 0.004 0.000 1.306 213 A CA 0.753 52.788 52.037 -0.003 0.000 0.898 213 A CB -0.437 18.545 19.000 -0.031 0.000 0.956 213 A HN 0.453 nan 8.150 nan 0.000 0.497 214 A N -0.126 122.705 122.820 0.017 0.000 1.933 214 A HA 0.087 4.378 4.320 -0.049 0.000 0.218 214 A C 2.224 179.818 177.584 0.017 0.000 1.175 214 A CA 1.598 53.651 52.037 0.026 0.000 0.628 214 A CB -1.011 18.022 19.000 0.055 0.000 0.814 214 A HN 0.816 nan 8.150 nan 0.000 0.444 215 G N -1.536 107.278 108.800 0.022 0.000 2.527 215 G HA2 0.038 3.969 3.960 -0.049 0.000 0.219 215 G HA3 0.038 3.969 3.960 -0.049 0.000 0.219 215 G C 0.981 175.879 174.900 -0.004 0.000 1.117 215 G CA 1.221 46.332 45.100 0.018 0.000 0.759 215 G HN 0.532 nan 8.290 nan 0.000 0.556 216 V N 0.186 120.093 119.914 -0.012 0.000 3.252 216 V HA 0.318 4.408 4.120 -0.049 0.000 0.320 216 V C -0.245 175.820 176.094 -0.048 0.000 1.459 216 V CA -0.044 62.239 62.300 -0.029 0.000 1.095 216 V CB 1.081 32.902 31.823 -0.004 0.000 0.997 216 V HN -0.006 nan 8.190 nan 0.000 0.469 217 V N 2.937 122.826 119.914 -0.043 0.000 2.448 217 V HA 0.359 4.449 4.120 -0.049 0.000 0.295 217 V C 0.084 176.145 176.094 -0.055 0.000 1.025 217 V CA -1.048 61.228 62.300 -0.040 0.000 0.859 217 V CB 1.940 33.754 31.823 -0.014 0.000 0.988 217 V HN 0.541 nan 8.190 nan 0.000 0.431 218 K N 4.251 124.608 120.400 -0.070 0.000 2.368 218 K HA 0.203 4.493 4.320 -0.049 0.000 0.282 218 K C 0.347 176.942 176.600 -0.008 0.000 1.035 218 K CA 0.024 56.273 56.287 -0.064 0.000 0.973 218 K CB 0.227 32.698 32.500 -0.048 0.000 0.957 218 K HN 0.768 nan 8.250 nan 0.000 0.474 219 N N 2.597 121.299 118.700 0.003 0.000 2.610 219 N HA -0.113 4.597 4.740 -0.049 0.000 0.271 219 N C -1.983 173.539 175.510 0.020 0.000 1.146 219 N CA -0.497 52.564 53.050 0.018 0.000 0.711 219 N CB 0.041 38.546 38.487 0.030 0.000 0.883 219 N HN 0.501 nan 8.380 nan 0.000 0.548 220 P HA -0.177 nan 4.420 nan 0.000 0.214 220 P C 1.250 178.574 177.300 0.040 0.000 1.163 220 P CA 1.195 64.310 63.100 0.025 0.000 0.883 220 P CB 0.128 31.839 31.700 0.019 0.000 0.788 221 K N -0.521 119.891 120.400 0.020 0.000 2.103 221 K HA -0.144 4.146 4.320 -0.049 0.000 0.207 221 K C 2.166 178.844 176.600 0.129 0.000 1.048 221 K CA 1.382 57.677 56.287 0.014 0.000 0.930 221 K CB -0.013 32.438 32.500 -0.081 0.000 0.716 221 K HN -0.032 nan 8.250 nan 0.000 0.444 222 R N -0.611 119.953 120.500 0.106 0.000 2.087 222 R HA 0.090 4.401 4.340 -0.049 0.000 0.216 222 R C 2.030 178.387 176.300 0.096 0.000 1.114 222 R CA 0.701 56.877 56.100 0.126 0.000 1.002 222 R CB -0.194 30.159 30.300 0.089 0.000 0.903 222 R HN 0.203 nan 8.270 nan 0.000 0.445 223 N N 0.584 119.325 118.700 0.067 0.000 2.142 223 N HA -0.105 4.605 4.740 -0.049 0.000 0.186 223 N C 1.890 177.430 175.510 0.050 0.000 1.023 223 N CA 1.098 54.177 53.050 0.049 0.000 0.852 223 N CB 0.059 38.566 38.487 0.033 0.000 0.998 223 N HN -0.018 nan 8.380 nan 0.000 0.424 224 V N 2.093 122.045 119.914 0.062 0.000 2.270 224 V HA -0.115 3.976 4.120 -0.049 0.000 0.245 224 V C -0.784 175.356 176.094 0.077 0.000 1.043 224 V CA 1.641 63.979 62.300 0.064 0.000 1.014 224 V CB -1.301 30.567 31.823 0.076 0.000 0.645 224 V HN 0.174 nan 8.190 nan 0.000 0.447 225 P HA -0.140 nan 4.420 nan 0.000 0.216 225 P C 1.780 179.112 177.300 0.053 0.000 1.150 225 P CA 1.640 64.797 63.100 0.094 0.000 0.837 225 P CB -0.056 31.721 31.700 0.127 0.000 0.786 226 I N -0.913 119.686 120.570 0.048 0.000 2.252 226 I HA -0.229 3.911 4.170 -0.049 0.000 0.245 226 I C 2.341 178.471 176.117 0.023 0.000 1.102 226 I CA 1.416 62.732 61.300 0.027 0.000 1.385 226 I CB -0.889 37.128 38.000 0.027 0.000 1.064 226 I HN -0.091 nan 8.210 nan 0.000 0.414 227 A N 0.879 123.714 122.820 0.026 0.000 1.877 227 A HA -0.257 4.033 4.320 -0.049 0.000 0.216 227 A C 2.495 180.085 177.584 0.010 0.000 1.186 227 A CA 2.609 54.654 52.037 0.014 0.000 0.620 227 A CB -1.220 17.786 19.000 0.010 0.000 0.822 227 A HN 0.515 nan 8.150 nan 0.000 0.443 228 T N -1.338 113.227 114.554 0.018 0.000 2.777 228 T HA -0.082 4.239 4.350 -0.049 0.000 0.266 228 T C 1.820 176.531 174.700 0.019 0.000 1.040 228 T CA 1.614 63.723 62.100 0.015 0.000 1.141 228 T CB -0.524 68.363 68.868 0.032 0.000 0.868 228 T HN 0.330 nan 8.240 nan 0.000 0.444 229 I N 1.518 122.100 120.570 0.021 0.000 2.286 229 I HA 0.106 4.246 4.170 -0.049 0.000 0.245 229 I C 3.075 179.200 176.117 0.014 0.000 1.104 229 I CA 1.064 62.373 61.300 0.015 0.000 1.397 229 I CB -0.903 37.101 38.000 0.007 0.000 1.072 229 I HN 0.447 nan 8.210 nan 0.000 0.417 230 G N 0.842 109.649 108.800 0.011 0.000 2.514 230 G HA2 -0.253 3.677 3.960 -0.049 0.000 0.217 230 G HA3 -0.253 3.677 3.960 -0.049 0.000 0.217 230 G C 1.736 176.643 174.900 0.013 0.000 1.198 230 G CA 1.020 46.126 45.100 0.009 0.000 0.780 230 G HN 0.490 nan 8.290 nan 0.000 0.565 231 G N 0.102 108.909 108.800 0.011 0.000 2.446 231 G HA2 -0.145 3.785 3.960 -0.049 0.000 0.217 231 G HA3 -0.145 3.785 3.960 -0.049 0.000 0.217 231 G C 1.807 176.727 174.900 0.034 0.000 1.168 231 G CA 1.299 46.406 45.100 0.012 0.000 0.771 231 G HN 0.353 nan 8.290 nan 0.000 0.551 232 V N 0.460 120.401 119.914 0.045 0.000 2.407 232 V HA -0.101 3.989 4.120 -0.049 0.000 0.248 232 V C 2.769 178.919 176.094 0.094 0.000 1.055 232 V CA 1.194 63.544 62.300 0.085 0.000 1.049 232 V CB -0.370 31.491 31.823 0.064 0.000 0.662 232 V HN 0.239 nan 8.190 nan 0.000 0.455 233 L N -0.281 120.974 121.223 0.054 0.000 2.017 233 L HA -0.106 4.204 4.340 -0.049 0.000 0.208 233 L C 2.213 179.115 176.870 0.052 0.000 1.073 233 L CA 1.852 56.719 54.840 0.045 0.000 0.745 233 L CB -0.763 41.308 42.059 0.021 0.000 0.894 233 L HN 0.229 nan 8.230 nan 0.000 0.432 234 I N -0.854 119.737 120.570 0.036 0.000 2.163 234 I HA -0.352 3.788 4.170 -0.049 0.000 0.243 234 I C 2.555 178.690 176.117 0.031 0.000 1.085 234 I CA 1.393 62.706 61.300 0.022 0.000 1.347 234 I CB -0.736 37.267 38.000 0.004 0.000 1.044 234 I HN 0.265 nan 8.210 nan 0.000 0.408 235 A N 0.865 123.717 122.820 0.054 0.000 1.877 235 A HA -0.142 4.149 4.320 -0.049 0.000 0.216 235 A C 2.601 180.325 177.584 0.234 0.000 1.186 235 A CA 1.885 53.963 52.037 0.069 0.000 0.620 235 A CB -0.924 18.137 19.000 0.101 0.000 0.822 235 A HN 0.440 nan 8.150 nan 0.000 0.443 236 A N -0.485 122.518 122.820 0.305 0.000 1.873 236 A HA -0.116 4.174 4.320 -0.049 0.000 0.218 236 A C 2.273 180.016 177.584 0.265 0.000 1.193 236 A CA 2.117 54.368 52.037 0.356 0.000 0.629 236 A CB -1.223 17.892 19.000 0.192 0.000 0.826 236 A HN 0.443 nan 8.150 nan 0.000 0.447 237 V N -0.544 119.458 119.914 0.147 0.000 2.252 237 V HA -0.384 3.706 4.120 -0.049 0.000 0.249 237 V C 2.752 178.909 176.094 0.104 0.000 1.056 237 V CA 2.348 64.710 62.300 0.103 0.000 1.022 237 V CB -1.051 30.802 31.823 0.049 0.000 0.641 237 V HN 0.757 nan 8.190 nan 0.000 0.445 238 C N -1.420 117.906 119.300 0.043 0.000 2.413 238 C HA -0.178 4.252 4.460 -0.049 0.000 0.276 238 C C 2.511 177.508 174.990 0.011 0.000 1.248 238 C CA 0.613 59.608 59.018 -0.038 0.000 1.742 238 C CB -1.275 26.367 27.740 -0.164 0.000 2.017 238 C HN 0.593 nan 8.230 nan 0.000 0.481 239 Y N 1.208 121.582 120.300 0.124 0.000 2.145 239 Y HA -0.174 4.349 4.550 -0.044 0.000 0.286 239 Y C 2.614 178.719 175.900 0.342 0.000 1.145 239 Y CA 1.717 59.948 58.100 0.219 0.000 1.148 239 Y CB -0.931 37.756 38.460 0.379 0.000 0.981 239 Y HN 0.130 nan 8.280 nan 0.000 0.507 240 V N -0.182 120.070 119.914 0.563 0.000 2.358 240 V HA -0.290 3.800 4.120 -0.049 0.000 0.246 240 V C 2.316 178.598 176.094 0.313 0.000 1.047 240 V CA 1.636 64.266 62.300 0.549 0.000 1.035 240 V CB -0.864 31.156 31.823 0.328 0.000 0.658 240 V HN 0.348 nan 8.190 nan 0.000 0.452 241 L N 0.861 122.197 121.223 0.187 0.000 2.005 241 L HA -0.154 4.156 4.340 -0.049 0.000 0.207 241 L C 2.816 179.704 176.870 0.030 0.000 1.072 241 L CA 1.983 56.880 54.840 0.095 0.000 0.744 241 L CB -0.858 41.229 42.059 0.047 0.000 0.895 241 L HN 0.550 nan 8.230 nan 0.000 0.433 242 S N -1.389 114.317 115.700 0.010 0.000 2.382 242 S HA -0.175 4.265 4.470 -0.049 0.000 0.228 242 S C 1.905 176.469 174.600 -0.060 0.000 1.027 242 S CA 1.671 59.844 58.200 -0.045 0.000 0.991 242 S CB -0.872 62.297 63.200 -0.051 0.000 0.823 242 S HN 0.376 nan 8.310 nan 0.000 0.469 243 T N 2.715 117.249 114.554 -0.033 0.000 2.701 243 T HA -0.101 4.219 4.350 -0.049 0.000 0.263 243 T C 2.403 177.009 174.700 -0.157 0.000 1.040 243 T CA 2.087 64.088 62.100 -0.165 0.000 1.147 243 T CB -1.210 67.397 68.868 -0.436 0.000 0.865 243 T HN 0.847 nan 8.240 nan 0.000 0.426 244 T N 1.376 115.900 114.554 -0.051 0.000 2.746 244 T HA -0.021 4.299 4.350 -0.049 0.000 0.267 244 T C 2.268 176.773 174.700 -0.324 0.000 1.039 244 T CA 1.276 63.328 62.100 -0.080 0.000 1.142 244 T CB -0.735 68.185 68.868 0.086 0.000 0.866 244 T HN 0.329 nan 8.240 nan 0.000 0.444 245 A N 2.200 124.847 122.820 -0.288 0.000 1.873 245 A HA -0.015 4.275 4.320 -0.049 0.000 0.218 245 A C 2.493 179.876 177.584 -0.336 0.000 1.193 245 A CA 1.927 53.744 52.037 -0.367 0.000 0.629 245 A CB -0.978 17.904 19.000 -0.197 0.000 0.826 245 A HN 0.646 nan 8.150 nan 0.000 0.447 246 I N -1.074 119.348 120.570 -0.247 0.000 2.226 246 I HA -0.305 3.836 4.170 -0.049 0.000 0.245 246 I C 2.697 178.696 176.117 -0.197 0.000 1.100 246 I CA 1.791 62.961 61.300 -0.216 0.000 1.374 246 I CB -0.554 37.345 38.000 -0.168 0.000 1.057 246 I HN 0.352 nan 8.210 nan 0.000 0.413 247 M N 0.618 120.097 119.600 -0.201 0.000 2.213 247 M HA -0.111 4.340 4.480 -0.049 0.000 0.263 247 M C 2.240 178.464 176.300 -0.127 0.000 1.062 247 M CA 1.929 57.137 55.300 -0.152 0.000 1.105 247 M CB -0.663 31.851 32.600 -0.145 0.000 1.385 247 M HN 0.345 nan 8.290 nan 0.000 0.417 248 G N 0.499 109.146 108.800 -0.255 0.000 2.494 248 G HA2 -0.071 3.860 3.960 -0.049 0.000 0.216 248 G HA3 -0.071 3.860 3.960 -0.049 0.000 0.216 248 G C 1.500 176.366 174.900 -0.057 0.000 1.140 248 G CA 0.501 45.474 45.100 -0.211 0.000 0.801 248 G HN 0.576 nan 8.290 nan 0.000 0.536 249 M N -0.633 118.902 119.600 -0.109 0.000 2.514 249 M HA 0.492 4.943 4.480 -0.049 0.000 0.258 249 M C 0.954 177.224 176.300 -0.051 0.000 1.159 249 M CA 0.050 55.342 55.300 -0.013 0.000 1.116 249 M CB 0.217 32.791 32.600 -0.042 0.000 1.333 249 M HN 0.006 nan 8.290 nan 0.000 0.487 250 I N 1.793 122.311 120.570 -0.088 0.000 2.315 250 I HA 0.839 4.979 4.170 -0.049 0.000 0.291 250 I C -2.146 173.955 176.117 -0.028 0.000 1.006 250 I CA -1.894 59.363 61.300 -0.072 0.000 1.265 250 I CB -0.096 37.845 38.000 -0.098 0.000 1.387 250 I HN 0.176 nan 8.210 nan 0.000 0.475 251 P HA 0.364 nan 4.420 nan 0.000 0.271 251 P C 1.009 178.315 177.300 0.010 0.000 1.233 251 P CA 0.955 64.066 63.100 0.019 0.000 0.789 251 P CB 0.255 31.973 31.700 0.031 0.000 0.951 252 N N -0.020 118.692 118.700 0.021 0.000 2.120 252 N HA 0.009 4.720 4.740 -0.049 0.000 0.188 252 N C 2.159 177.678 175.510 0.015 0.000 1.024 252 N CA 2.177 55.239 53.050 0.019 0.000 0.852 252 N CB -0.892 37.614 38.487 0.032 0.000 1.003 252 N HN 0.742 nan 8.380 nan 0.000 0.424 253 A N -0.148 122.682 122.820 0.017 0.000 2.066 253 A HA 0.477 4.767 4.320 -0.049 0.000 0.218 253 A C 2.620 180.208 177.584 0.007 0.000 1.157 253 A CA 1.650 53.695 52.037 0.014 0.000 0.670 253 A CB -0.512 18.498 19.000 0.017 0.000 0.804 253 A HN 0.906 nan 8.150 nan 0.000 0.453 254 A N -0.051 122.771 122.820 0.003 0.000 1.970 254 A HA 0.114 4.405 4.320 -0.049 0.000 0.216 254 A C 1.980 179.558 177.584 -0.011 0.000 1.170 254 A CA 0.916 52.950 52.037 -0.007 0.000 0.645 254 A CB -0.516 18.476 19.000 -0.015 0.000 0.816 254 A HN 0.449 nan 8.150 nan 0.000 0.447 255 L N -0.576 120.641 121.223 -0.011 0.000 2.085 255 L HA -0.379 3.931 4.340 -0.049 0.000 0.218 255 L C 3.271 180.136 176.870 -0.008 0.000 1.080 255 L CA 2.189 57.021 54.840 -0.013 0.000 0.776 255 L CB -1.277 40.776 42.059 -0.010 0.000 0.891 255 L HN 0.615 nan 8.230 nan 0.000 0.437 256 R N 0.337 120.836 120.500 -0.003 0.000 2.132 256 R HA -0.126 4.184 4.340 -0.049 0.000 0.233 256 R C 1.376 177.674 176.300 -0.002 0.000 1.125 256 R CA 1.632 57.731 56.100 -0.000 0.000 0.914 256 R CB -2.001 28.300 30.300 0.003 0.000 0.845 256 R HN 0.207 nan 8.270 nan 0.000 0.431 257 V N 2.126 122.037 119.914 -0.004 0.000 3.122 257 V HA 0.105 4.196 4.120 -0.049 0.000 0.281 257 V C 1.338 177.430 176.094 -0.002 0.000 1.107 257 V CA 0.370 62.668 62.300 -0.004 0.000 1.241 257 V CB -2.352 29.466 31.823 -0.009 0.000 0.770 257 V HN 0.989 nan 8.190 nan 0.000 0.419 258 S N 4.215 119.915 115.700 -0.000 0.000 2.576 258 S HA 0.507 4.947 4.470 -0.049 0.000 0.272 258 S C 1.589 176.192 174.600 0.005 0.000 1.352 258 S CA 0.378 58.579 58.200 0.002 0.000 1.021 258 S CB 0.110 63.311 63.200 0.002 0.000 0.887 258 S HN 2.473 nan 8.310 nan 0.000 0.542 259 A N -0.711 122.115 122.820 0.009 0.000 3.367 259 A HA -0.089 4.201 4.320 -0.049 0.000 0.270 259 A C 1.792 179.390 177.584 0.024 0.000 1.135 259 A CA 2.767 54.814 52.037 0.017 0.000 0.990 259 A CB -2.219 16.789 19.000 0.014 0.000 1.026 259 A HN 2.318 nan 8.150 nan 0.000 0.763 260 S N -0.543 115.166 115.700 0.015 0.000 2.327 260 S HA 0.719 5.159 4.470 -0.049 0.000 0.157 260 S C 0.855 175.471 174.600 0.026 0.000 1.227 260 S CA 2.491 60.697 58.200 0.011 0.000 1.907 260 S CB -0.998 62.197 63.200 -0.008 0.000 0.563 260 S HN 2.108 nan 8.310 nan 0.000 0.377 261 P HA -0.283 nan 4.420 nan 0.000 0.291 261 P C 1.147 178.469 177.300 0.036 0.000 0.860 261 P CA 2.943 66.056 63.100 0.022 0.000 0.900 261 P CB -1.622 30.109 31.700 0.052 0.000 0.966 262 F N 0.811 120.729 119.950 -0.052 0.000 2.069 262 F HA 0.106 4.599 4.527 -0.057 0.000 0.298 262 F C 2.666 178.433 175.800 -0.054 0.000 1.113 262 F CA 3.750 61.716 58.000 -0.056 0.000 1.214 262 F CB -0.900 38.086 39.000 -0.024 0.000 0.978 262 F HN 0.395 nan 8.300 nan 0.000 0.474 263 G N -0.358 108.542 108.800 0.167 0.000 2.469 263 G HA2 -0.324 3.606 3.960 -0.049 0.000 0.220 263 G HA3 -0.324 3.606 3.960 -0.049 0.000 0.220 263 G C 1.293 176.147 174.900 -0.076 0.000 1.136 263 G CA 1.245 46.382 45.100 0.061 0.000 0.759 263 G HN 0.341 nan 8.290 nan 0.000 0.562 264 D N 0.978 121.325 120.400 -0.089 0.000 2.103 264 D HA -0.073 4.538 4.640 -0.049 0.000 0.190 264 D C 2.847 179.006 176.300 -0.234 0.000 0.997 264 D CA 1.601 55.518 54.000 -0.138 0.000 0.833 264 D CB -0.635 40.094 40.800 -0.119 0.000 0.961 264 D HN 0.294 nan 8.370 nan 0.000 0.447 265 A N 0.662 123.304 122.820 -0.296 0.000 1.978 265 A HA -0.054 4.236 4.320 -0.049 0.000 0.220 265 A C 2.243 179.590 177.584 -0.394 0.000 1.170 265 A CA 2.297 54.102 52.037 -0.387 0.000 0.636 265 A CB -0.791 17.957 19.000 -0.419 0.000 0.810 265 A HN 0.245 nan 8.150 nan 0.000 0.448 266 A N 0.175 122.749 122.820 -0.409 0.000 1.851 266 A HA -0.199 4.091 4.320 -0.049 0.000 0.216 266 A C 2.264 179.739 177.584 -0.181 0.000 1.195 266 A CA 1.723 53.572 52.037 -0.313 0.000 0.622 266 A CB -0.513 18.352 19.000 -0.224 0.000 0.831 266 A HN 0.566 nan 8.150 nan 0.000 0.444 267 R N -0.496 119.914 120.500 -0.150 0.000 2.066 267 R HA -0.092 4.219 4.340 -0.049 0.000 0.232 267 R C 2.457 178.672 176.300 -0.142 0.000 1.131 267 R CA 1.719 57.755 56.100 -0.107 0.000 0.955 267 R CB -0.586 29.669 30.300 -0.075 0.000 0.851 267 R HN 0.823 nan 8.270 nan 0.000 0.432 268 M N -0.534 118.921 119.600 -0.242 0.000 2.374 268 M HA 0.078 4.528 4.480 -0.049 0.000 0.264 268 M C 1.734 177.822 176.300 -0.354 0.000 1.067 268 M CA 2.002 57.080 55.300 -0.369 0.000 1.103 268 M CB 0.084 32.294 32.600 -0.651 0.000 1.402 268 M HN 0.072 nan 8.290 nan 0.000 0.444 269 A N -0.107 122.558 122.820 -0.259 0.000 2.348 269 A HA 0.539 4.830 4.320 -0.049 0.000 0.224 269 A C 1.574 179.174 177.584 0.027 0.000 1.227 269 A CA 0.718 52.718 52.037 -0.062 0.000 0.885 269 A CB -0.150 18.815 19.000 -0.059 0.000 0.933 269 A HN 0.739 nan 8.150 nan 0.000 0.506 270 L N -3.083 118.120 121.223 -0.033 0.000 3.500 270 L HA 0.627 4.938 4.340 -0.049 0.000 0.320 270 L C 1.087 177.939 176.870 -0.030 0.000 1.205 270 L CA 0.709 55.538 54.840 -0.018 0.000 1.117 270 L CB -0.902 41.168 42.059 0.018 0.000 1.542 270 L HN 1.622 nan 8.230 nan 0.000 0.622 271 G N -0.708 108.073 108.800 -0.031 0.000 2.422 271 G HA2 0.040 3.971 3.960 -0.049 0.000 0.607 271 G HA3 0.040 3.971 3.960 -0.049 0.000 0.607 271 G C -0.608 174.286 174.900 -0.011 0.000 1.270 271 G CA 0.131 45.221 45.100 -0.017 0.000 0.992 271 G HN 0.261 nan 8.290 nan 0.000 0.499 272 D N 0.506 120.907 120.400 0.002 0.000 2.460 272 D HA 0.342 4.953 4.640 -0.049 0.000 0.229 272 D C 1.883 178.202 176.300 0.032 0.000 1.170 272 D CA 1.018 55.026 54.000 0.012 0.000 0.827 272 D CB 0.128 40.936 40.800 0.013 0.000 0.973 272 D HN 0.667 nan 8.370 nan 0.000 0.496 273 T N -4.104 110.467 114.554 0.029 0.000 3.040 273 T HA 0.366 4.687 4.350 -0.049 0.000 0.266 273 T C 1.848 176.563 174.700 0.025 0.000 1.005 273 T CA 0.136 62.263 62.100 0.046 0.000 0.906 273 T CB 0.587 69.479 68.868 0.040 0.000 1.082 273 T HN -0.028 nan 8.240 nan 0.000 0.531 274 A N 1.947 124.772 122.820 0.008 0.000 1.978 274 A HA 0.201 4.492 4.320 -0.049 0.000 0.220 274 A C 2.465 180.022 177.584 -0.044 0.000 1.170 274 A CA 1.799 53.831 52.037 -0.007 0.000 0.636 274 A CB -1.611 17.376 19.000 -0.023 0.000 0.810 274 A HN 0.605 nan 8.150 nan 0.000 0.448 275 G N -0.232 108.545 108.800 -0.040 0.000 2.586 275 G HA2 -0.151 3.780 3.960 -0.049 0.000 0.218 275 G HA3 -0.151 3.780 3.960 -0.049 0.000 0.218 275 G C 1.831 176.300 174.900 -0.717 0.000 1.216 275 G CA 2.105 47.095 45.100 -0.184 0.000 0.786 275 G HN 0.920 nan 8.290 nan 0.000 0.583 276 A N 0.701 123.249 122.820 -0.454 0.000 1.858 276 A HA -0.004 4.286 4.320 -0.049 0.000 0.216 276 A C 2.473 180.042 177.584 -0.024 0.000 1.190 276 A CA 1.716 53.563 52.037 -0.316 0.000 0.617 276 A CB -0.489 18.626 19.000 0.192 0.000 0.827 276 A HN 0.418 nan 8.150 nan 0.000 0.443 277 I N -0.763 119.813 120.570 0.010 0.000 2.151 277 I HA -0.243 3.897 4.170 -0.049 0.000 0.243 277 I C 2.358 178.545 176.117 0.116 0.000 1.080 277 I CA 1.321 62.667 61.300 0.077 0.000 1.339 277 I CB -0.493 37.542 38.000 0.058 0.000 1.039 277 I HN 0.172 nan 8.210 nan 0.000 0.409 278 V N 0.628 120.561 119.914 0.032 0.000 2.283 278 V HA -0.217 3.873 4.120 -0.049 0.000 0.243 278 V C 2.469 178.465 176.094 -0.163 0.000 1.039 278 V CA 2.174 64.508 62.300 0.057 0.000 1.016 278 V CB -0.422 31.480 31.823 0.131 0.000 0.650 278 V HN 0.635 nan 8.190 nan 0.000 0.449 279 S N -1.220 114.308 115.700 -0.287 0.000 2.603 279 S HA -0.074 4.367 4.470 -0.049 0.000 0.229 279 S C 1.559 176.143 174.600 -0.028 0.000 0.972 279 S CA 0.953 58.942 58.200 -0.352 0.000 0.935 279 S CB -0.483 62.419 63.200 -0.496 0.000 0.769 279 S HN 0.588 nan 8.310 nan 0.000 0.536 280 F N 0.786 120.731 119.950 -0.009 0.000 2.343 280 F HA 0.211 4.706 4.527 -0.053 0.000 0.286 280 F C 2.099 177.887 175.800 -0.019 0.000 1.057 280 F CA 0.293 58.373 58.000 0.132 0.000 1.365 280 F CB -0.279 38.817 39.000 0.160 0.000 1.114 280 F HN 0.254 nan 8.300 nan 0.000 0.545 281 C N 0.874 120.249 119.300 0.124 0.000 2.464 281 C HA 0.155 4.586 4.460 -0.049 0.000 0.278 281 C C 3.015 177.833 174.990 -0.286 0.000 1.375 281 C CA 0.733 59.777 59.018 0.042 0.000 1.761 281 C CB -1.627 26.249 27.740 0.227 0.000 1.944 281 C HN 0.612 nan 8.230 nan 0.000 0.509 282 A N 1.444 123.814 122.820 -0.752 0.000 1.851 282 A HA 0.014 4.305 4.320 -0.049 0.000 0.216 282 A C 2.443 179.685 177.584 -0.570 0.000 1.195 282 A CA 2.263 53.438 52.037 -1.436 0.000 0.622 282 A CB -1.234 16.370 19.000 -2.325 0.000 0.831 282 A HN 0.547 nan 8.150 nan 0.000 0.444 283 A N -0.179 122.463 122.820 -0.296 0.000 1.892 283 A HA 0.027 4.317 4.320 -0.049 0.000 0.218 283 A C 2.551 180.057 177.584 -0.130 0.000 1.188 283 A CA 2.748 54.767 52.037 -0.029 0.000 0.631 283 A CB -1.244 17.744 19.000 -0.019 0.000 0.822 283 A HN 1.246 nan 8.150 nan 0.000 0.447 284 A N -0.718 121.942 122.820 -0.267 0.000 1.892 284 A HA 0.032 4.322 4.320 -0.049 0.000 0.218 284 A C 2.462 180.000 177.584 -0.076 0.000 1.188 284 A CA 2.235 54.154 52.037 -0.195 0.000 0.631 284 A CB -1.474 17.401 19.000 -0.207 0.000 0.822 284 A HN 0.862 nan 8.150 nan 0.000 0.447 285 G N -1.805 106.949 108.800 -0.077 0.000 2.421 285 G HA2 -0.178 3.752 3.960 -0.049 0.000 0.217 285 G HA3 -0.178 3.752 3.960 -0.049 0.000 0.217 285 G C 1.628 176.526 174.900 -0.004 0.000 1.143 285 G CA 1.133 46.227 45.100 -0.010 0.000 0.784 285 G HN 0.542 nan 8.290 nan 0.000 0.541 286 C N 0.191 119.481 119.300 -0.017 0.000 2.508 286 C HA 0.338 4.769 4.460 -0.049 0.000 0.280 286 C C 1.545 176.499 174.990 -0.060 0.000 1.262 286 C CA -0.372 58.650 59.018 0.007 0.000 1.706 286 C CB -0.998 26.767 27.740 0.041 0.000 2.078 286 C HN 0.263 nan 8.230 nan 0.000 0.480 287 L N 0.684 121.858 121.223 -0.081 0.000 2.452 287 L HA 0.421 4.731 4.340 -0.049 0.000 0.267 287 L C 1.563 178.259 176.870 -0.290 0.000 1.188 287 L CA 0.744 55.451 54.840 -0.220 0.000 0.821 287 L CB -0.210 41.866 42.059 0.028 0.000 1.102 287 L HN 0.635 nan 8.230 nan 0.000 0.470 288 G N 0.726 109.022 108.800 -0.839 0.000 2.267 288 G HA2 -0.369 3.561 3.960 -0.049 0.000 0.257 288 G HA3 -0.369 3.561 3.960 -0.049 0.000 0.257 288 G C 1.146 175.944 174.900 -0.171 0.000 0.998 288 G CA 0.884 45.798 45.100 -0.309 0.000 0.620 288 G HN 0.671 nan 8.290 nan 0.000 0.529 289 S N 0.081 115.689 115.700 -0.153 0.000 2.406 289 S HA 0.147 4.588 4.470 -0.049 0.000 0.224 289 S C 2.459 177.077 174.600 0.029 0.000 1.030 289 S CA 1.436 59.621 58.200 -0.025 0.000 0.958 289 S CB -0.286 62.958 63.200 0.073 0.000 0.811 289 S HN 1.157 nan 8.310 nan 0.000 0.489 290 L N 0.024 121.174 121.223 -0.122 0.000 2.362 290 L HA 0.235 4.545 4.340 -0.049 0.000 0.219 290 L C 2.153 178.923 176.870 -0.167 0.000 1.134 290 L CA 1.466 56.259 54.840 -0.078 0.000 0.807 290 L CB -1.339 40.618 42.059 -0.171 0.000 0.927 290 L HN 0.363 nan 8.230 nan 0.000 0.447 291 G N 0.735 109.303 108.800 -0.385 0.000 2.440 291 G HA2 -0.201 3.729 3.960 -0.049 0.000 0.218 291 G HA3 -0.201 3.729 3.960 -0.049 0.000 0.218 291 G C 1.454 176.360 174.900 0.011 0.000 1.154 291 G CA 0.720 45.789 45.100 -0.052 0.000 0.767 291 G HN 0.544 nan 8.290 nan 0.000 0.552 292 G N -0.405 108.355 108.800 -0.066 0.000 2.430 292 G HA2 -0.082 3.848 3.960 -0.049 0.000 0.216 292 G HA3 -0.082 3.848 3.960 -0.049 0.000 0.216 292 G C 1.552 176.329 174.900 -0.204 0.000 1.146 292 G CA 0.490 45.495 45.100 -0.158 0.000 0.793 292 G HN 0.502 nan 8.290 nan 0.000 0.537 293 W N 1.173 122.431 121.300 -0.069 0.000 2.418 293 W HA 0.067 4.696 4.660 -0.052 0.000 0.292 293 W C 2.932 179.419 176.519 -0.052 0.000 1.213 293 W CA 1.311 58.609 57.345 -0.078 0.000 1.283 293 W CB -0.483 28.903 29.460 -0.123 0.000 1.119 293 W HN 0.023 nan 8.180 nan 0.000 0.542 294 T N 1.521 116.172 114.554 0.162 0.000 2.665 294 T HA -0.291 4.029 4.350 -0.049 0.000 0.268 294 T C 1.832 176.599 174.700 0.112 0.000 1.035 294 T CA 1.621 63.786 62.100 0.108 0.000 1.151 294 T CB -0.820 68.095 68.868 0.078 0.000 0.862 294 T HN 0.122 nan 8.240 nan 0.000 0.438 295 L N 0.472 121.745 121.223 0.083 0.000 1.990 295 L HA -0.141 4.169 4.340 -0.049 0.000 0.213 295 L C 2.392 179.314 176.870 0.087 0.000 1.072 295 L CA 1.609 56.492 54.840 0.071 0.000 0.755 295 L CB -0.363 41.709 42.059 0.023 0.000 0.889 295 L HN 0.275 nan 8.230 nan 0.000 0.432 296 L N -0.653 120.606 121.223 0.060 0.000 2.083 296 L HA -0.221 4.090 4.340 -0.049 0.000 0.209 296 L C 2.814 179.810 176.870 0.210 0.000 1.083 296 L CA 1.121 56.025 54.840 0.108 0.000 0.752 296 L CB -0.826 41.260 42.059 0.045 0.000 0.899 296 L HN 0.409 nan 8.230 nan 0.000 0.433 297 A N 0.405 123.344 122.820 0.198 0.000 1.883 297 A HA -0.170 4.120 4.320 -0.049 0.000 0.217 297 A C 2.409 180.233 177.584 0.400 0.000 1.186 297 A CA 1.886 54.081 52.037 0.262 0.000 0.624 297 A CB -1.364 17.729 19.000 0.155 0.000 0.822 297 A HN 0.444 nan 8.150 nan 0.000 0.444 298 G N -1.358 107.621 108.800 0.298 0.000 2.442 298 G HA2 -0.209 3.721 3.960 -0.049 0.000 0.219 298 G HA3 -0.209 3.721 3.960 -0.049 0.000 0.219 298 G C 1.553 176.591 174.900 0.229 0.000 1.141 298 G CA 1.066 46.342 45.100 0.293 0.000 0.763 298 G HN 0.464 nan 8.290 nan 0.000 0.554 299 Q N 0.453 120.362 119.800 0.182 0.000 2.083 299 Q HA -0.069 4.241 4.340 -0.049 0.000 0.198 299 Q C 2.914 178.973 176.000 0.098 0.000 0.969 299 Q CA 1.784 57.664 55.803 0.128 0.000 0.838 299 Q CB -1.064 27.736 28.738 0.103 0.000 0.900 299 Q HN 0.585 nan 8.270 nan 0.000 0.436 300 T N 0.714 115.350 114.554 0.137 0.000 2.708 300 T HA -0.068 4.253 4.350 -0.049 0.000 0.266 300 T C 1.986 176.566 174.700 -0.201 0.000 1.037 300 T CA 1.460 63.569 62.100 0.016 0.000 1.146 300 T CB -0.413 68.549 68.868 0.157 0.000 0.865 300 T HN 0.321 nan 8.240 nan 0.000 0.435 301 A N 2.012 124.769 122.820 -0.105 0.000 1.902 301 A HA -0.090 4.200 4.320 -0.049 0.000 0.217 301 A C 2.321 179.884 177.584 -0.036 0.000 1.181 301 A CA 1.976 53.850 52.037 -0.271 0.000 0.623 301 A CB -0.645 18.265 19.000 -0.149 0.000 0.818 301 A HN 0.557 nan 8.150 nan 0.000 0.443 302 K N -0.267 120.180 120.400 0.077 0.000 2.001 302 K HA -0.055 4.235 4.320 -0.049 0.000 0.208 302 K C 2.176 178.797 176.600 0.034 0.000 1.048 302 K CA 1.318 57.669 56.287 0.108 0.000 0.932 302 K CB -0.449 32.125 32.500 0.123 0.000 0.715 302 K HN 0.293 nan 8.250 nan 0.000 0.437 303 A N 1.018 123.828 122.820 -0.017 0.000 1.940 303 A HA -0.246 4.045 4.320 -0.049 0.000 0.221 303 A C 2.326 179.841 177.584 -0.115 0.000 1.190 303 A CA 2.457 54.484 52.037 -0.016 0.000 0.647 303 A CB -0.968 18.039 19.000 0.012 0.000 0.821 303 A HN 0.576 nan 8.150 nan 0.000 0.457 304 A N -0.939 121.612 122.820 -0.449 0.000 1.903 304 A HA 0.383 4.673 4.320 -0.049 0.000 0.213 304 A C 2.489 180.053 177.584 -0.033 0.000 1.185 304 A CA 1.557 53.267 52.037 -0.546 0.000 0.628 304 A CB -0.944 17.511 19.000 -0.908 0.000 0.830 304 A HN 1.089 nan 8.150 nan 0.000 0.446 305 A N 0.355 123.211 122.820 0.061 0.000 1.933 305 A HA -0.193 4.097 4.320 -0.049 0.000 0.218 305 A C 1.692 179.373 177.584 0.161 0.000 1.175 305 A CA 1.916 54.075 52.037 0.203 0.000 0.628 305 A CB -0.631 18.535 19.000 0.276 0.000 0.814 305 A HN 0.424 nan 8.150 nan 0.000 0.444 306 D N 0.319 120.795 120.400 0.125 0.000 2.190 306 D HA -0.126 4.484 4.640 -0.049 0.000 0.200 306 D C 0.723 177.104 176.300 0.136 0.000 0.992 306 D CA 1.471 55.543 54.000 0.120 0.000 0.854 306 D CB -0.309 40.556 40.800 0.107 0.000 0.936 306 D HN 0.423 nan 8.370 nan 0.000 0.462 307 D N -1.218 119.285 120.400 0.172 0.000 2.339 307 D HA 0.203 4.813 4.640 -0.049 0.000 0.217 307 D C 1.211 177.637 176.300 0.209 0.000 1.050 307 D CA 0.577 54.693 54.000 0.194 0.000 0.856 307 D CB 0.391 41.348 40.800 0.262 0.000 0.922 307 D HN 0.214 nan 8.370 nan 0.000 0.518 308 G N 0.883 109.813 108.800 0.217 0.000 2.171 308 G HA2 -0.262 3.668 3.960 -0.049 0.000 0.238 308 G HA3 -0.262 3.668 3.960 -0.049 0.000 0.238 308 G C 0.507 175.643 174.900 0.394 0.000 1.039 308 G CA -0.051 45.199 45.100 0.251 0.000 0.759 308 G HN 0.409 nan 8.290 nan 0.000 0.501 309 L N -1.332 120.132 121.223 0.402 0.000 3.066 309 L HA 0.630 4.940 4.340 -0.049 0.000 0.265 309 L C 0.046 177.290 176.870 0.624 0.000 1.232 309 L CA -0.344 54.804 54.840 0.513 0.000 1.031 309 L CB 0.242 42.547 42.059 0.410 0.000 1.379 309 L HN 0.196 nan 8.230 nan 0.000 0.563 310 F N -0.376 119.741 119.950 0.279 0.000 2.741 310 F HA 0.521 5.018 4.527 -0.049 0.000 0.313 310 F C -2.539 173.381 175.800 0.200 0.000 1.153 310 F CA -2.482 55.600 58.000 0.138 0.000 0.931 310 F CB 1.191 40.066 39.000 -0.209 0.000 1.335 310 F HN -0.271 nan 8.300 nan 0.000 0.460 311 P HA 0.263 nan 4.420 nan 0.000 0.272 311 P C -2.352 175.068 177.300 0.200 0.000 1.223 311 P CA -0.897 62.264 63.100 0.103 0.000 0.784 311 P CB 0.439 32.153 31.700 0.023 0.000 0.923 312 P HA -0.021 nan 4.420 nan 0.000 0.225 312 P C 1.443 178.759 177.300 0.027 0.000 1.156 312 P CA 0.529 63.677 63.100 0.079 0.000 0.787 312 P CB -0.185 31.537 31.700 0.035 0.000 0.802 313 I N -1.646 118.865 120.570 -0.098 0.000 2.423 313 I HA -0.254 3.886 4.170 -0.049 0.000 0.254 313 I C 1.459 177.446 176.117 -0.215 0.000 1.151 313 I CA 1.434 62.607 61.300 -0.212 0.000 1.421 313 I CB -0.255 37.528 38.000 -0.361 0.000 1.079 313 I HN -0.203 nan 8.210 nan 0.000 0.431 314 F N 0.626 120.571 119.950 -0.009 0.000 2.407 314 F HA 0.002 4.500 4.527 -0.049 0.000 0.299 314 F C 2.388 178.225 175.800 0.063 0.000 1.097 314 F CA 0.933 58.958 58.000 0.041 0.000 1.422 314 F CB -0.646 38.396 39.000 0.070 0.000 1.067 314 F HN 0.094 nan 8.300 nan 0.000 0.539 315 A N -0.198 122.743 122.820 0.201 0.000 2.178 315 A HA 0.030 4.320 4.320 -0.049 0.000 0.211 315 A C 1.331 178.970 177.584 0.091 0.000 1.157 315 A CA -0.264 51.857 52.037 0.141 0.000 0.780 315 A CB -0.491 18.585 19.000 0.126 0.000 0.828 315 A HN 0.182 nan 8.150 nan 0.000 0.476 316 R N 1.042 121.578 120.500 0.060 0.000 2.413 316 R HA 0.277 4.588 4.340 -0.049 0.000 0.333 316 R C -0.179 176.148 176.300 0.044 0.000 1.074 316 R CA 0.246 56.367 56.100 0.034 0.000 0.982 316 R CB -0.114 30.184 30.300 -0.002 0.000 0.981 316 R HN 0.295 nan 8.270 nan 0.000 0.452 317 V N 1.854 121.796 119.914 0.047 0.000 3.177 317 V HA 0.578 4.668 4.120 -0.049 0.000 0.319 317 V C -0.208 175.911 176.094 0.041 0.000 1.125 317 V CA -1.104 61.227 62.300 0.051 0.000 1.029 317 V CB 1.841 33.699 31.823 0.058 0.000 1.119 317 V HN 0.881 nan 8.190 nan 0.000 0.452 318 N N 0.728 119.454 118.700 0.043 0.000 2.867 318 N HA 0.377 5.088 4.740 -0.049 0.000 0.326 318 N C 0.601 176.134 175.510 0.039 0.000 1.355 318 N CA -0.378 52.694 53.050 0.037 0.000 0.830 318 N CB 0.090 38.599 38.487 0.037 0.000 1.152 318 N HN 0.560 nan 8.380 nan 0.000 0.569 319 K N 0.143 120.564 120.400 0.036 0.000 2.000 319 K HA -0.056 4.234 4.320 -0.049 0.000 0.218 319 K C 1.799 178.427 176.600 0.048 0.000 1.053 319 K CA 2.684 58.994 56.287 0.038 0.000 0.946 319 K CB -1.155 31.365 32.500 0.034 0.000 0.723 319 K HN 0.649 nan 8.250 nan 0.000 0.446 320 A N -0.166 122.685 122.820 0.052 0.000 2.248 320 A HA 0.193 4.483 4.320 -0.049 0.000 0.210 320 A C 1.235 178.856 177.584 0.061 0.000 1.174 320 A CA 0.986 53.060 52.037 0.063 0.000 0.750 320 A CB -0.837 18.200 19.000 0.061 0.000 0.780 320 A HN 0.492 nan 8.150 nan 0.000 0.478 321 G N -1.064 107.770 108.800 0.056 0.000 2.248 321 G HA2 -0.179 3.751 3.960 -0.049 0.000 0.263 321 G HA3 -0.179 3.751 3.960 -0.049 0.000 0.263 321 G C 0.094 175.030 174.900 0.060 0.000 1.082 321 G CA 0.282 45.416 45.100 0.056 0.000 0.863 321 G HN 0.598 nan 8.290 nan 0.000 0.495 322 T N 1.685 116.276 114.554 0.060 0.000 2.749 322 T HA 0.528 4.848 4.350 -0.049 0.000 0.287 322 T C -2.328 172.417 174.700 0.074 0.000 0.970 322 T CA -1.153 60.988 62.100 0.068 0.000 0.980 322 T CB 2.137 71.044 68.868 0.065 0.000 0.924 322 T HN 0.067 nan 8.240 nan 0.000 0.456 323 P HA 0.171 nan 4.420 nan 0.000 0.256 323 P C 0.897 178.256 177.300 0.099 0.000 1.688 323 P CA -0.125 63.036 63.100 0.103 0.000 1.162 323 P CB -0.069 31.719 31.700 0.148 0.000 1.870 324 V N 2.488 122.447 119.914 0.074 0.000 2.307 324 V HA -0.251 3.839 4.120 -0.049 0.000 0.245 324 V C 2.460 178.596 176.094 0.070 0.000 1.045 324 V CA 2.500 64.845 62.300 0.075 0.000 1.024 324 V CB -1.391 30.467 31.823 0.058 0.000 0.651 324 V HN 0.374 nan 8.190 nan 0.000 0.449 325 A N 0.669 123.509 122.820 0.033 0.000 1.902 325 A HA -0.086 4.205 4.320 -0.049 0.000 0.217 325 A C 2.414 179.991 177.584 -0.011 0.000 1.181 325 A CA 1.993 54.025 52.037 -0.008 0.000 0.623 325 A CB -1.353 17.606 19.000 -0.068 0.000 0.818 325 A HN 0.519 nan 8.150 nan 0.000 0.443 326 G N 0.281 109.099 108.800 0.029 0.000 2.628 326 G HA2 -0.290 3.640 3.960 -0.049 0.000 0.217 326 G HA3 -0.290 3.640 3.960 -0.049 0.000 0.217 326 G C 1.536 176.574 174.900 0.229 0.000 1.240 326 G CA 1.318 46.527 45.100 0.182 0.000 0.792 326 G HN 0.459 nan 8.290 nan 0.000 0.593 327 L N 0.142 121.475 121.223 0.182 0.000 2.042 327 L HA -0.093 4.218 4.340 -0.049 0.000 0.210 327 L C 2.920 179.846 176.870 0.093 0.000 1.076 327 L CA 0.749 55.672 54.840 0.140 0.000 0.749 327 L CB -0.458 41.676 42.059 0.124 0.000 0.893 327 L HN 0.222 nan 8.230 nan 0.000 0.432 328 I N -0.141 120.509 120.570 0.133 0.000 2.127 328 I HA -0.343 3.798 4.170 -0.049 0.000 0.241 328 I C 2.477 178.688 176.117 0.157 0.000 1.075 328 I CA 1.612 63.042 61.300 0.217 0.000 1.334 328 I CB -0.202 37.927 38.000 0.216 0.000 1.040 328 I HN 0.146 nan 8.210 nan 0.000 0.405 329 I N 0.025 120.650 120.570 0.092 0.000 2.087 329 I HA -0.362 3.778 4.170 -0.049 0.000 0.240 329 I C 2.514 178.606 176.117 -0.041 0.000 1.054 329 I CA 1.728 63.063 61.300 0.058 0.000 1.311 329 I CB -0.547 37.497 38.000 0.072 0.000 1.024 329 I HN 0.032 nan 8.210 nan 0.000 0.402 330 V N 1.168 121.059 119.914 -0.038 0.000 2.317 330 V HA -0.327 3.763 4.120 -0.049 0.000 0.251 330 V C 2.571 178.405 176.094 -0.433 0.000 1.065 330 V CA 2.313 64.424 62.300 -0.315 0.000 1.049 330 V CB -1.806 29.930 31.823 -0.144 0.000 0.651 330 V HN 0.666 nan 8.190 nan 0.000 0.450 331 G N -0.101 108.442 108.800 -0.429 0.000 2.476 331 G HA2 -0.263 3.668 3.960 -0.049 0.000 0.218 331 G HA3 -0.263 3.668 3.960 -0.049 0.000 0.218 331 G C 1.551 176.081 174.900 -0.616 0.000 1.164 331 G CA 1.342 45.897 45.100 -0.909 0.000 0.768 331 G HN 0.510 nan 8.290 nan 0.000 0.560 332 I N 0.319 120.811 120.570 -0.129 0.000 2.142 332 I HA -0.163 3.978 4.170 -0.049 0.000 0.240 332 I C 2.803 178.878 176.117 -0.069 0.000 1.078 332 I CA 0.789 62.154 61.300 0.108 0.000 1.343 332 I CB -0.342 37.744 38.000 0.143 0.000 1.046 332 I HN 0.124 nan 8.210 nan 0.000 0.405 333 L N -0.414 120.653 121.223 -0.260 0.000 2.013 333 L HA -0.301 4.010 4.340 -0.049 0.000 0.212 333 L C 2.712 179.368 176.870 -0.356 0.000 1.073 333 L CA 1.634 56.208 54.840 -0.442 0.000 0.753 333 L CB -0.460 40.961 42.059 -1.063 0.000 0.890 333 L HN 0.301 nan 8.230 nan 0.000 0.432 334 M N -0.677 118.667 119.600 -0.427 0.000 2.082 334 M HA -0.258 4.193 4.480 -0.049 0.000 0.258 334 M C 2.468 178.776 176.300 0.013 0.000 1.069 334 M CA 2.552 57.788 55.300 -0.107 0.000 1.102 334 M CB -0.267 32.212 32.600 -0.202 0.000 1.336 334 M HN 0.393 nan 8.290 nan 0.000 0.404 335 T N -0.636 113.899 114.554 -0.033 0.000 2.951 335 T HA -0.049 4.271 4.350 -0.049 0.000 0.268 335 T C 1.566 176.337 174.700 0.118 0.000 1.073 335 T CA 1.052 63.200 62.100 0.079 0.000 1.134 335 T CB -0.487 68.493 68.868 0.188 0.000 0.884 335 T HN 0.412 nan 8.240 nan 0.000 0.479 336 I N -0.221 120.412 120.570 0.105 0.000 2.142 336 I HA -0.028 4.112 4.170 -0.049 0.000 0.240 336 I C 2.193 178.395 176.117 0.140 0.000 1.078 336 I CA 1.713 63.074 61.300 0.101 0.000 1.343 336 I CB -0.533 37.515 38.000 0.079 0.000 1.046 336 I HN 0.245 nan 8.210 nan 0.000 0.405 337 F N 1.414 121.403 119.950 0.065 0.000 2.095 337 F HA -0.360 4.138 4.527 -0.048 0.000 0.298 337 F C 2.773 178.592 175.800 0.031 0.000 1.104 337 F CA 1.930 59.981 58.000 0.084 0.000 1.232 337 F CB -0.071 39.055 39.000 0.211 0.000 0.987 337 F HN 0.038 nan 8.300 nan 0.000 0.475 338 Q N 0.641 120.651 119.800 0.349 0.000 2.096 338 Q HA -0.176 4.134 4.340 -0.049 0.000 0.204 338 Q C 1.759 177.829 176.000 0.117 0.000 0.982 338 Q CA 1.842 57.769 55.803 0.206 0.000 0.850 338 Q CB -0.393 28.419 28.738 0.124 0.000 0.901 338 Q HN 0.570 nan 8.270 nan 0.000 0.422 339 L N 0.473 121.750 121.223 0.089 0.000 2.591 339 L HA 0.159 4.470 4.340 -0.049 0.000 0.228 339 L C 0.927 177.798 176.870 0.002 0.000 1.133 339 L CA -0.013 54.853 54.840 0.044 0.000 0.880 339 L CB -0.235 41.849 42.059 0.042 0.000 1.033 339 L HN 0.124 nan 8.230 nan 0.000 0.450 340 S N -1.032 114.652 115.700 -0.027 0.000 2.624 340 S HA 0.064 4.504 4.470 -0.049 0.000 0.263 340 S C 1.377 175.908 174.600 -0.115 0.000 1.287 340 S CA -0.055 58.079 58.200 -0.111 0.000 0.990 340 S CB 1.418 64.467 63.200 -0.251 0.000 0.950 340 S HN 0.251 nan 8.310 nan 0.000 0.561 341 S N 0.394 116.012 115.700 -0.137 0.000 2.522 341 S HA 0.095 4.535 4.470 -0.049 0.000 0.227 341 S C 1.360 175.870 174.600 -0.151 0.000 0.986 341 S CA 0.168 58.299 58.200 -0.116 0.000 0.929 341 S CB -0.688 62.450 63.200 -0.104 0.000 0.769 341 S HN 0.705 nan 8.310 nan 0.000 0.529 342 I N 1.863 122.293 120.570 -0.233 0.000 3.684 342 I HA 0.145 4.285 4.170 -0.049 0.000 0.304 342 I C 0.805 176.832 176.117 -0.150 0.000 1.278 342 I CA -0.109 61.035 61.300 -0.261 0.000 1.272 342 I CB 0.174 37.910 38.000 -0.441 0.000 1.029 342 I HN 0.319 nan 8.210 nan 0.000 0.458 343 S N 0.652 116.296 115.700 -0.093 0.000 2.586 343 S HA 0.269 4.709 4.470 -0.049 0.000 0.274 343 S C -1.429 173.106 174.600 -0.107 0.000 1.281 343 S CA -1.297 56.917 58.200 0.022 0.000 1.035 343 S CB 1.244 64.483 63.200 0.066 0.000 0.962 343 S HN -0.069 nan 8.310 nan 0.000 0.512 344 P HA -0.103 nan 4.420 nan 0.000 0.217 344 P C 0.974 178.107 177.300 -0.279 0.000 1.148 344 P CA 1.086 63.920 63.100 -0.443 0.000 0.828 344 P CB -0.004 31.264 31.700 -0.721 0.000 0.783 345 N N -1.076 117.544 118.700 -0.134 0.000 2.364 345 N HA -0.103 4.608 4.740 -0.049 0.000 0.183 345 N C 1.453 176.933 175.510 -0.050 0.000 1.022 345 N CA 1.421 54.436 53.050 -0.058 0.000 0.883 345 N CB -0.201 38.287 38.487 0.002 0.000 0.965 345 N HN 0.158 nan 8.380 nan 0.000 0.438 346 A N 0.033 122.808 122.820 -0.074 0.000 1.963 346 A HA 0.014 4.304 4.320 -0.049 0.000 0.207 346 A C 2.175 179.710 177.584 -0.082 0.000 1.243 346 A CA 1.218 53.220 52.037 -0.058 0.000 0.728 346 A CB -0.442 18.521 19.000 -0.062 0.000 0.895 346 A HN 0.377 nan 8.150 nan 0.000 0.467 347 T N -3.369 111.111 114.554 -0.124 0.000 3.037 347 T HA 0.150 4.470 4.350 -0.049 0.000 0.251 347 T C 0.618 175.229 174.700 -0.148 0.000 1.079 347 T CA 0.697 62.719 62.100 -0.130 0.000 1.067 347 T CB -0.315 68.462 68.868 -0.151 0.000 0.948 347 T HN 0.434 nan 8.240 nan 0.000 0.496 348 K N 1.218 121.504 120.400 -0.190 0.000 3.069 348 K HA -0.133 4.157 4.320 -0.049 0.000 0.267 348 K C -0.748 175.708 176.600 -0.240 0.000 1.082 348 K CA 0.783 56.954 56.287 -0.194 0.000 0.782 348 K CB -1.202 31.245 32.500 -0.088 0.000 1.230 348 K HN 0.563 nan 8.250 nan 0.000 0.488 349 E N -0.541 119.421 120.200 -0.398 0.000 2.272 349 E HA 0.277 4.597 4.350 -0.049 0.000 0.269 349 E C -0.097 176.173 176.600 -0.549 0.000 0.877 349 E CA -0.553 55.659 56.400 -0.313 0.000 0.755 349 E CB 0.911 30.507 29.700 -0.175 0.000 1.192 349 E HN 0.024 nan 8.360 nan 0.000 0.422 350 F N -0.007 119.843 119.950 -0.166 0.000 2.678 350 F HA 0.200 4.699 4.527 -0.047 0.000 0.305 350 F C 1.864 177.506 175.800 -0.263 0.000 1.090 350 F CA -0.073 57.782 58.000 -0.242 0.000 1.272 350 F CB 0.674 39.490 39.000 -0.308 0.000 1.060 350 F HN 0.628 nan 8.300 nan 0.000 0.576 351 G N 0.737 109.493 108.800 -0.073 0.000 2.414 351 G HA2 -0.226 3.705 3.960 -0.049 0.000 0.215 351 G HA3 -0.226 3.705 3.960 -0.049 0.000 0.215 351 G C 1.650 176.484 174.900 -0.109 0.000 1.188 351 G CA 0.904 45.950 45.100 -0.089 0.000 0.783 351 G HN 0.262 nan 8.290 nan 0.000 0.537 352 L N 1.037 122.195 121.223 -0.109 0.000 1.956 352 L HA -0.093 4.218 4.340 -0.049 0.000 0.216 352 L C 2.924 179.705 176.870 -0.148 0.000 1.073 352 L CA 1.929 56.705 54.840 -0.107 0.000 0.762 352 L CB -0.911 41.087 42.059 -0.102 0.000 0.889 352 L HN 0.092 nan 8.230 nan 0.000 0.433 353 V N 0.225 120.040 119.914 -0.164 0.000 2.287 353 V HA -0.299 3.791 4.120 -0.049 0.000 0.248 353 V C 2.851 178.782 176.094 -0.272 0.000 1.053 353 V CA 1.992 64.155 62.300 -0.227 0.000 1.027 353 V CB -1.327 30.355 31.823 -0.236 0.000 0.646 353 V HN 0.793 nan 8.190 nan 0.000 0.447 354 S N -0.533 114.988 115.700 -0.298 0.000 2.368 354 S HA -0.215 4.225 4.470 -0.049 0.000 0.225 354 S C 2.104 176.637 174.600 -0.111 0.000 1.030 354 S CA 1.808 59.799 58.200 -0.347 0.000 0.999 354 S CB -0.631 62.210 63.200 -0.598 0.000 0.844 354 S HN 0.465 nan 8.310 nan 0.000 0.459 355 S N 1.406 117.028 115.700 -0.131 0.000 2.353 355 S HA -0.099 4.341 4.470 -0.049 0.000 0.222 355 S C 2.162 176.663 174.600 -0.166 0.000 1.035 355 S CA 1.552 59.695 58.200 -0.094 0.000 1.025 355 S CB -0.778 62.379 63.200 -0.072 0.000 0.902 355 S HN 0.763 nan 8.310 nan 0.000 0.440 356 V N -0.095 119.641 119.914 -0.297 0.000 2.453 356 V HA -0.044 4.047 4.120 -0.049 0.000 0.247 356 V C 2.180 177.813 176.094 -0.769 0.000 1.048 356 V CA 2.208 64.131 62.300 -0.629 0.000 1.049 356 V CB -1.123 30.210 31.823 -0.816 0.000 0.672 356 V HN 0.468 nan 8.190 nan 0.000 0.457 357 S N 0.195 115.605 115.700 -0.484 0.000 2.365 357 S HA -0.180 4.260 4.470 -0.049 0.000 0.225 357 S C 1.896 176.384 174.600 -0.187 0.000 1.039 357 S CA 2.216 60.208 58.200 -0.348 0.000 1.033 357 S CB -0.516 62.590 63.200 -0.157 0.000 0.887 357 S HN 0.571 nan 8.310 nan 0.000 0.447 358 V N 2.057 121.936 119.914 -0.058 0.000 2.307 358 V HA -0.118 3.973 4.120 -0.049 0.000 0.245 358 V C 2.242 178.336 176.094 -0.001 0.000 1.045 358 V CA 1.928 64.236 62.300 0.013 0.000 1.024 358 V CB -0.676 31.205 31.823 0.096 0.000 0.651 358 V HN 0.530 nan 8.190 nan 0.000 0.449 359 I N -0.826 119.739 120.570 -0.008 0.000 2.315 359 I HA -0.214 3.926 4.170 -0.049 0.000 0.248 359 I C 2.290 178.536 176.117 0.215 0.000 1.117 359 I CA 1.768 63.116 61.300 0.079 0.000 1.404 359 I CB -0.493 37.573 38.000 0.109 0.000 1.071 359 I HN 0.225 nan 8.210 nan 0.000 0.419 360 F N 0.933 120.839 119.950 -0.073 0.000 2.451 360 F HA -0.139 4.359 4.527 -0.049 0.000 0.299 360 F C 2.374 178.117 175.800 -0.095 0.000 1.101 360 F CA 0.515 58.465 58.000 -0.085 0.000 1.436 360 F CB -0.364 38.568 39.000 -0.113 0.000 1.074 360 F HN 0.111 nan 8.300 nan 0.000 0.553 361 T N 0.162 114.741 114.554 0.041 0.000 3.009 361 T HA 0.026 4.346 4.350 -0.049 0.000 0.258 361 T C 1.995 176.435 174.700 -0.432 0.000 1.063 361 T CA 0.399 62.403 62.100 -0.161 0.000 1.139 361 T CB -0.139 68.596 68.868 -0.221 0.000 0.890 361 T HN 0.203 nan 8.240 nan 0.000 0.471 362 L N 1.034 122.142 121.223 -0.192 0.000 2.131 362 L HA -0.061 4.250 4.340 -0.049 0.000 0.210 362 L C 2.578 179.413 176.870 -0.058 0.000 1.092 362 L CA 0.866 55.672 54.840 -0.057 0.000 0.759 362 L CB -0.776 41.301 42.059 0.031 0.000 0.903 362 L HN 0.166 nan 8.230 nan 0.000 0.435 363 V N -0.017 119.818 119.914 -0.132 0.000 2.307 363 V HA -0.132 3.958 4.120 -0.049 0.000 0.245 363 V C -0.127 175.766 176.094 -0.334 0.000 1.045 363 V CA 1.737 63.852 62.300 -0.310 0.000 1.024 363 V CB -1.586 30.043 31.823 -0.324 0.000 0.651 363 V HN 0.303 nan 8.190 nan 0.000 0.449 364 P HA -0.178 nan 4.420 nan 0.000 0.215 364 P C 1.566 178.979 177.300 0.190 0.000 1.157 364 P CA 1.699 64.820 63.100 0.035 0.000 0.874 364 P CB -0.136 31.564 31.700 -0.000 0.000 0.790 365 Y N -1.050 119.344 120.300 0.157 0.000 2.053 365 Y HA -0.256 4.265 4.550 -0.049 0.000 0.277 365 Y C 2.414 178.366 175.900 0.086 0.000 1.159 365 Y CA 0.261 58.477 58.100 0.194 0.000 1.125 365 Y CB -1.122 37.475 38.460 0.228 0.000 0.969 365 Y HN -0.122 nan 8.280 nan 0.000 0.492 366 L N -0.388 120.981 121.223 0.243 0.000 2.043 366 L HA -0.299 4.011 4.340 -0.049 0.000 0.212 366 L C 1.992 179.049 176.870 0.312 0.000 1.075 366 L CA 1.816 56.792 54.840 0.227 0.000 0.752 366 L CB -0.753 41.349 42.059 0.072 0.000 0.891 366 L HN 0.266 nan 8.230 nan 0.000 0.432 367 Y N -1.569 118.875 120.300 0.241 0.000 2.314 367 Y HA -0.180 4.341 4.550 -0.049 0.000 0.293 367 Y C 2.463 178.492 175.900 0.215 0.000 1.129 367 Y CA 0.771 59.036 58.100 0.276 0.000 1.201 367 Y CB -0.346 38.248 38.460 0.224 0.000 0.999 367 Y HN 0.164 nan 8.280 nan 0.000 0.541 368 T N -0.515 114.202 114.554 0.272 0.000 2.746 368 T HA -0.215 4.106 4.350 -0.049 0.000 0.267 368 T C 1.985 176.641 174.700 -0.075 0.000 1.039 368 T CA 1.445 63.590 62.100 0.075 0.000 1.142 368 T CB -0.652 68.122 68.868 -0.157 0.000 0.866 368 T HN 0.435 nan 8.240 nan 0.000 0.444 369 C N 1.704 120.937 119.300 -0.111 0.000 2.436 369 C HA 0.055 4.486 4.460 -0.049 0.000 0.277 369 C C 3.208 178.166 174.990 -0.054 0.000 1.241 369 C CA 0.332 59.154 59.018 -0.327 0.000 1.721 369 C CB -1.487 25.703 27.740 -0.916 0.000 2.043 369 C HN 0.648 nan 8.230 nan 0.000 0.472 370 A N 0.615 123.634 122.820 0.332 0.000 1.997 370 A HA -0.072 4.218 4.320 -0.049 0.000 0.221 370 A C 2.300 179.981 177.584 0.162 0.000 1.172 370 A CA 2.397 54.712 52.037 0.463 0.000 0.645 370 A CB -0.808 18.576 19.000 0.639 0.000 0.813 370 A HN 0.648 nan 8.150 nan 0.000 0.454 371 A N -0.671 122.192 122.820 0.071 0.000 1.872 371 A HA 0.060 4.350 4.320 -0.049 0.000 0.214 371 A C 2.098 179.629 177.584 -0.088 0.000 1.187 371 A CA 1.531 53.527 52.037 -0.068 0.000 0.614 371 A CB -0.630 18.353 19.000 -0.028 0.000 0.826 371 A HN 0.741 nan 8.150 nan 0.000 0.442 372 L N 0.092 121.261 121.223 -0.090 0.000 2.043 372 L HA -0.183 4.127 4.340 -0.049 0.000 0.212 372 L C 2.266 179.202 176.870 0.110 0.000 1.075 372 L CA 1.907 56.700 54.840 -0.078 0.000 0.752 372 L CB -0.442 41.543 42.059 -0.123 0.000 0.891 372 L HN 0.431 nan 8.230 nan 0.000 0.432 373 L N -1.827 119.497 121.223 0.167 0.000 2.044 373 L HA -0.164 4.147 4.340 -0.049 0.000 0.205 373 L C 2.311 179.287 176.870 0.176 0.000 1.075 373 L CA 0.505 55.523 54.840 0.297 0.000 0.747 373 L CB -0.705 41.505 42.059 0.251 0.000 0.903 373 L HN 0.243 nan 8.230 nan 0.000 0.435 374 L N -0.633 120.621 121.223 0.051 0.000 2.291 374 L HA -0.097 4.213 4.340 -0.049 0.000 0.214 374 L C 2.152 179.021 176.870 -0.003 0.000 1.120 374 L CA 1.362 56.182 54.840 -0.032 0.000 0.799 374 L CB -0.673 41.297 42.059 -0.148 0.000 0.925 374 L HN 0.201 nan 8.230 nan 0.000 0.446 375 L N -1.643 119.555 121.223 -0.041 0.000 2.349 375 L HA 0.238 4.549 4.340 -0.049 0.000 0.200 375 L C 1.920 178.674 176.870 -0.193 0.000 1.064 375 L CA 1.282 56.055 54.840 -0.111 0.000 0.821 375 L CB -1.190 40.752 42.059 -0.196 0.000 1.027 375 L HN 0.321 nan 8.230 nan 0.000 0.476 376 G N -0.538 108.101 108.800 -0.269 0.000 3.284 376 G HA2 -0.004 3.927 3.960 -0.049 0.000 0.236 376 G HA3 -0.004 3.927 3.960 -0.049 0.000 0.236 376 G C 0.629 174.771 174.900 -1.264 0.000 1.158 376 G CA -0.295 44.447 45.100 -0.598 0.000 0.774 376 G HN 0.460 nan 8.290 nan 0.000 0.545 377 H N -0.591 118.000 119.070 -0.800 0.000 2.836 377 H HA 0.350 4.876 4.556 -0.050 0.000 0.368 377 H C 1.282 176.358 175.328 -0.419 0.000 1.164 377 H CA 0.480 56.135 56.048 -0.655 0.000 1.425 377 H CB 0.725 30.459 29.762 -0.047 0.000 1.414 377 H HN 0.357 nan 8.280 nan 0.000 0.614 378 G N 2.103 110.654 108.800 -0.415 0.000 3.329 378 G HA2 -0.350 3.581 3.960 -0.049 0.000 0.220 378 G HA3 -0.350 3.581 3.960 -0.049 0.000 0.220 378 G C 1.053 175.797 174.900 -0.261 0.000 1.358 378 G CA 0.396 45.292 45.100 -0.340 0.000 0.856 378 G HN 0.820 nan 8.290 nan 0.000 0.551 379 H N 0.457 119.257 119.070 -0.450 0.000 2.568 379 H HA 0.146 4.672 4.556 -0.050 0.000 0.275 379 H C 1.941 177.224 175.328 -0.075 0.000 1.028 379 H CA 0.983 56.876 56.048 -0.258 0.000 1.173 379 H CB -0.081 29.520 29.762 -0.268 0.000 1.335 379 H HN 0.472 nan 8.280 nan 0.000 0.614 380 F N 0.222 120.277 119.950 0.176 0.000 2.274 380 F HA 0.162 4.660 4.527 -0.049 0.000 0.288 380 F C 2.135 178.024 175.800 0.149 0.000 1.069 380 F CA 0.671 58.827 58.000 0.260 0.000 1.343 380 F CB -0.678 38.492 39.000 0.283 0.000 1.089 380 F HN 0.243 nan 8.300 nan 0.000 0.517 381 G N 1.312 110.272 108.800 0.266 0.000 2.582 381 G HA2 -0.355 3.576 3.960 -0.049 0.000 0.288 381 G HA3 -0.355 3.576 3.960 -0.049 0.000 0.288 381 G C 1.175 176.147 174.900 0.120 0.000 1.247 381 G CA 0.432 45.616 45.100 0.141 0.000 0.972 381 G HN 0.197 nan 8.290 nan 0.000 0.557 382 K N 0.709 121.146 120.400 0.061 0.000 2.360 382 K HA 0.031 4.322 4.320 -0.049 0.000 0.201 382 K C 2.209 178.802 176.600 -0.012 0.000 1.046 382 K CA 1.429 57.730 56.287 0.022 0.000 0.940 382 K CB -0.379 32.124 32.500 0.006 0.000 0.748 382 K HN 0.909 nan 8.250 nan 0.000 0.465 383 A N 1.040 123.849 122.820 -0.019 0.000 2.532 383 A HA 0.099 4.389 4.320 -0.049 0.000 0.273 383 A C 1.794 179.232 177.584 -0.243 0.000 1.342 383 A CA -0.196 51.749 52.037 -0.152 0.000 0.929 383 A CB -0.242 18.630 19.000 -0.213 0.000 1.051 383 A HN 0.147 nan 8.150 nan 0.000 0.521 384 R N 0.684 121.131 120.500 -0.088 0.000 2.081 384 R HA -0.036 4.274 4.340 -0.049 0.000 0.235 384 R C -1.901 174.278 176.300 -0.203 0.000 1.131 384 R CA 1.510 57.558 56.100 -0.087 0.000 0.960 384 R CB -0.202 30.139 30.300 0.069 0.000 0.856 384 R HN 0.377 nan 8.270 nan 0.000 0.436 385 P HA 0.313 nan 4.420 nan 0.000 0.215 385 P C -1.593 175.623 177.300 -0.140 0.000 1.728 385 P CA -0.563 62.456 63.100 -0.134 0.000 1.337 385 P CB 1.785 33.444 31.700 -0.068 0.000 1.415 386 A N 2.753 125.468 122.820 -0.175 0.000 2.386 386 A HA 0.194 4.485 4.320 -0.049 0.000 0.246 386 A C 0.632 177.942 177.584 -0.457 0.000 1.089 386 A CA 0.106 52.005 52.037 -0.230 0.000 0.790 386 A CB -0.207 18.683 19.000 -0.183 0.000 1.042 386 A HN 0.429 nan 8.150 nan 0.000 0.497 387 Y N 0.476 120.586 120.300 -0.317 0.000 2.069 387 Y HA -0.263 4.257 4.550 -0.051 0.000 0.278 387 Y C 2.118 177.838 175.900 -0.300 0.000 1.175 387 Y CA 1.833 59.707 58.100 -0.377 0.000 1.134 387 Y CB -1.129 36.941 38.460 -0.650 0.000 0.965 387 Y HN 0.515 nan 8.280 nan 0.000 0.498 388 L N 0.007 121.127 121.223 -0.171 0.000 2.095 388 L HA -0.408 3.902 4.340 -0.049 0.000 0.229 388 L C 2.552 179.405 176.870 -0.028 0.000 1.097 388 L CA 2.278 57.074 54.840 -0.072 0.000 0.813 388 L CB -1.518 40.513 42.059 -0.046 0.000 0.907 388 L HN 0.329 nan 8.230 nan 0.000 0.445 389 A N -1.479 121.309 122.820 -0.053 0.000 1.845 389 A HA -0.184 4.106 4.320 -0.049 0.000 0.215 389 A C 2.338 179.901 177.584 -0.036 0.000 1.195 389 A CA 2.083 54.097 52.037 -0.037 0.000 0.616 389 A CB -1.169 17.796 19.000 -0.059 0.000 0.832 389 A HN 0.224 nan 8.150 nan 0.000 0.443 390 V N 0.662 120.542 119.914 -0.057 0.000 2.370 390 V HA -0.281 3.809 4.120 -0.049 0.000 0.252 390 V C 2.972 179.025 176.094 -0.068 0.000 1.068 390 V CA 2.661 64.928 62.300 -0.055 0.000 1.061 390 V CB -1.151 30.654 31.823 -0.032 0.000 0.656 390 V HN 0.908 nan 8.190 nan 0.000 0.455 391 T N -3.163 111.345 114.554 -0.077 0.000 3.035 391 T HA -0.122 4.198 4.350 -0.049 0.000 0.259 391 T C 1.871 176.491 174.700 -0.133 0.000 1.078 391 T CA 1.344 63.339 62.100 -0.175 0.000 1.132 391 T CB -0.337 68.392 68.868 -0.230 0.000 0.900 391 T HN 0.580 nan 8.240 nan 0.000 0.480 392 T N 0.404 115.007 114.554 0.082 0.000 2.962 392 T HA 0.111 4.432 4.350 -0.049 0.000 0.270 392 T C 1.916 176.723 174.700 0.179 0.000 1.088 392 T CA 0.545 62.815 62.100 0.284 0.000 1.127 392 T CB -0.823 68.182 68.868 0.228 0.000 0.883 392 T HN 0.478 nan 8.240 nan 0.000 0.493 393 I N 1.520 122.125 120.570 0.058 0.000 2.252 393 I HA -0.040 4.100 4.170 -0.049 0.000 0.245 393 I C 3.190 179.340 176.117 0.055 0.000 1.102 393 I CA 1.120 62.441 61.300 0.034 0.000 1.385 393 I CB -0.600 37.381 38.000 -0.032 0.000 1.064 393 I HN 0.367 nan 8.210 nan 0.000 0.414 394 A N 0.879 123.682 122.820 -0.028 0.000 1.908 394 A HA -0.223 4.067 4.320 -0.049 0.000 0.218 394 A C 2.089 179.741 177.584 0.113 0.000 1.181 394 A CA 1.559 53.586 52.037 -0.017 0.000 0.627 394 A CB -0.939 17.951 19.000 -0.183 0.000 0.818 394 A HN 0.293 nan 8.150 nan 0.000 0.445 395 F N -0.058 119.957 119.950 0.109 0.000 2.065 395 F HA -0.180 4.319 4.527 -0.048 0.000 0.298 395 F C 2.188 178.064 175.800 0.127 0.000 1.112 395 F CA 1.441 59.507 58.000 0.110 0.000 1.212 395 F CB -0.943 38.107 39.000 0.083 0.000 0.975 395 F HN 0.096 nan 8.300 nan 0.000 0.476 396 L N -1.716 119.703 121.223 0.328 0.000 2.131 396 L HA -0.254 4.057 4.340 -0.049 0.000 0.210 396 L C 2.382 179.425 176.870 0.289 0.000 1.092 396 L CA 1.143 56.129 54.840 0.243 0.000 0.759 396 L CB -0.744 41.413 42.059 0.164 0.000 0.903 396 L HN 0.194 nan 8.230 nan 0.000 0.435 397 Y N -0.184 120.214 120.300 0.164 0.000 2.200 397 Y HA -0.266 4.256 4.550 -0.046 0.000 0.290 397 Y C 2.618 178.710 175.900 0.320 0.000 1.137 397 Y CA 1.333 59.567 58.100 0.224 0.000 1.163 397 Y CB -0.590 37.930 38.460 0.099 0.000 0.988 397 Y HN 0.123 nan 8.280 nan 0.000 0.518 398 C N 0.566 119.933 119.300 0.111 0.000 2.413 398 C HA -0.199 4.231 4.460 -0.049 0.000 0.276 398 C C 2.784 177.794 174.990 0.033 0.000 1.236 398 C CA 1.425 60.464 59.018 0.036 0.000 1.735 398 C CB -1.443 26.420 27.740 0.206 0.000 2.031 398 C HN 0.636 nan 8.230 nan 0.000 0.474 399 I N 0.160 120.804 120.570 0.124 0.000 2.179 399 I HA -0.260 3.880 4.170 -0.049 0.000 0.242 399 I C 2.620 178.802 176.117 0.108 0.000 1.088 399 I CA 1.848 63.213 61.300 0.107 0.000 1.357 399 I CB -0.578 37.501 38.000 0.132 0.000 1.051 399 I HN 0.659 nan 8.210 nan 0.000 0.409 400 W N 2.438 123.723 121.300 -0.025 0.000 2.318 400 W HA -0.330 4.300 4.660 -0.050 0.000 0.313 400 W C 2.384 178.864 176.519 -0.065 0.000 1.221 400 W CA 1.910 59.242 57.345 -0.022 0.000 1.266 400 W CB -0.270 29.204 29.460 0.023 0.000 1.150 400 W HN 0.169 nan 8.180 nan 0.000 0.496 401 A N 0.722 123.342 122.820 -0.333 0.000 1.898 401 A HA -0.120 4.170 4.320 -0.049 0.000 0.216 401 A C 2.195 179.607 177.584 -0.286 0.000 1.181 401 A CA 2.268 54.032 52.037 -0.455 0.000 0.620 401 A CB -1.124 17.654 19.000 -0.371 0.000 0.819 401 A HN 0.177 nan 8.150 nan 0.000 0.442 402 V N -0.323 119.497 119.914 -0.158 0.000 2.237 402 V HA -0.247 3.843 4.120 -0.049 0.000 0.245 402 V C 2.550 178.576 176.094 -0.114 0.000 1.046 402 V CA 2.064 64.312 62.300 -0.088 0.000 1.007 402 V CB -0.990 30.819 31.823 -0.024 0.000 0.638 402 V HN 0.349 nan 8.190 nan 0.000 0.445 403 V N 0.989 120.832 119.914 -0.118 0.000 2.380 403 V HA -0.223 3.867 4.120 -0.049 0.000 0.251 403 V C 2.414 178.387 176.094 -0.201 0.000 1.063 403 V CA 2.227 64.457 62.300 -0.117 0.000 1.055 403 V CB -1.219 30.570 31.823 -0.057 0.000 0.657 403 V HN 0.651 nan 8.190 nan 0.000 0.455 404 G N -1.285 107.293 108.800 -0.370 0.000 2.880 404 G HA2 0.019 3.950 3.960 -0.049 0.000 0.209 404 G HA3 0.019 3.950 3.960 -0.049 0.000 0.209 404 G C 0.811 175.562 174.900 -0.248 0.000 1.157 404 G CA 0.336 45.187 45.100 -0.415 0.000 0.779 404 G HN 0.493 nan 8.290 nan 0.000 0.539 405 S N -0.658 114.932 115.700 -0.184 0.000 2.661 405 S HA 0.545 4.985 4.470 -0.049 0.000 0.265 405 S C 0.859 175.417 174.600 -0.069 0.000 1.225 405 S CA -0.128 58.010 58.200 -0.104 0.000 0.986 405 S CB 0.994 64.151 63.200 -0.072 0.000 1.008 405 S HN 0.341 nan 8.310 nan 0.000 0.565 406 G N -0.327 108.450 108.800 -0.038 0.000 2.467 406 G HA2 0.456 4.386 3.960 -0.049 0.000 0.257 406 G HA3 0.456 4.386 3.960 -0.049 0.000 0.257 406 G C 0.881 175.773 174.900 -0.014 0.000 1.227 406 G CA -0.054 45.034 45.100 -0.021 0.000 0.835 406 G HN 0.754 nan 8.290 nan 0.000 0.556 407 A N 1.952 124.758 122.820 -0.023 0.000 1.898 407 A HA 0.005 4.295 4.320 -0.049 0.000 0.216 407 A C 2.391 179.950 177.584 -0.041 0.000 1.181 407 A CA 1.808 53.822 52.037 -0.039 0.000 0.620 407 A CB -0.336 18.633 19.000 -0.052 0.000 0.819 407 A HN 0.544 nan 8.150 nan 0.000 0.442 408 K N 0.718 121.114 120.400 -0.006 0.000 2.020 408 K HA -0.176 4.115 4.320 -0.049 0.000 0.212 408 K C 2.023 178.682 176.600 0.100 0.000 1.050 408 K CA 1.909 58.211 56.287 0.024 0.000 0.929 408 K CB -0.269 32.321 32.500 0.149 0.000 0.714 408 K HN 0.741 nan 8.250 nan 0.000 0.443 409 E N 0.198 120.496 120.200 0.163 0.000 2.152 409 E HA -0.097 4.223 4.350 -0.049 0.000 0.192 409 E C 2.042 178.743 176.600 0.168 0.000 0.983 409 E CA 0.963 57.495 56.400 0.220 0.000 0.818 409 E CB -0.550 29.215 29.700 0.108 0.000 0.758 409 E HN 0.068 nan 8.360 nan 0.000 0.467 410 V N 2.402 122.366 119.914 0.083 0.000 2.407 410 V HA -0.234 3.857 4.120 -0.049 0.000 0.248 410 V C 2.596 178.747 176.094 0.095 0.000 1.055 410 V CA 1.902 64.253 62.300 0.085 0.000 1.049 410 V CB -0.583 31.257 31.823 0.029 0.000 0.662 410 V HN 0.300 nan 8.190 nan 0.000 0.455 411 M N -1.087 118.497 119.600 -0.025 0.000 2.132 411 M HA -0.204 4.246 4.480 -0.049 0.000 0.263 411 M C 2.113 178.369 176.300 -0.073 0.000 1.065 411 M CA 2.128 57.348 55.300 -0.133 0.000 1.122 411 M CB -0.426 31.961 32.600 -0.356 0.000 1.365 411 M HN 0.455 nan 8.290 nan 0.000 0.411 412 W N 0.692 122.069 121.300 0.128 0.000 2.363 412 W HA -0.167 4.463 4.660 -0.050 0.000 0.296 412 W C 2.470 179.126 176.519 0.229 0.000 1.212 412 W CA 1.219 58.656 57.345 0.153 0.000 1.260 412 W CB -0.526 29.001 29.460 0.111 0.000 1.131 412 W HN 0.296 nan 8.180 nan 0.000 0.530 413 S N -0.177 115.799 115.700 0.461 0.000 2.383 413 S HA -0.199 4.242 4.470 -0.049 0.000 0.227 413 S C 1.482 176.215 174.600 0.221 0.000 1.026 413 S CA 1.100 59.561 58.200 0.435 0.000 0.981 413 S CB -0.807 62.663 63.200 0.451 0.000 0.818 413 S HN 0.262 nan 8.310 nan 0.000 0.472 414 F N 2.520 122.521 119.950 0.085 0.000 2.146 414 F HA -0.091 4.406 4.527 -0.050 0.000 0.298 414 F C 2.204 178.026 175.800 0.037 0.000 1.096 414 F CA 0.833 58.850 58.000 0.028 0.000 1.275 414 F CB -0.428 38.563 39.000 -0.014 0.000 1.008 414 F HN -0.054 nan 8.300 nan 0.000 0.480 415 V N -0.261 119.829 119.914 0.293 0.000 2.287 415 V HA -0.347 3.744 4.120 -0.049 0.000 0.248 415 V C 2.331 178.518 176.094 0.155 0.000 1.053 415 V CA 2.475 64.908 62.300 0.221 0.000 1.027 415 V CB -1.130 30.841 31.823 0.248 0.000 0.646 415 V HN 0.397 nan 8.190 nan 0.000 0.447 416 T N 0.421 115.077 114.554 0.170 0.000 2.699 416 T HA -0.218 4.102 4.350 -0.049 0.000 0.268 416 T C 1.874 176.560 174.700 -0.023 0.000 1.036 416 T CA 1.674 63.820 62.100 0.076 0.000 1.147 416 T CB -0.358 68.504 68.868 -0.009 0.000 0.862 416 T HN 0.287 nan 8.240 nan 0.000 0.446 417 L N 0.254 121.418 121.223 -0.098 0.000 2.013 417 L HA -0.183 4.127 4.340 -0.049 0.000 0.212 417 L C 2.722 179.563 176.870 -0.047 0.000 1.073 417 L CA 1.648 56.406 54.840 -0.138 0.000 0.753 417 L CB -0.563 41.316 42.059 -0.300 0.000 0.890 417 L HN 0.393 nan 8.230 nan 0.000 0.432 418 M N -1.309 118.260 119.600 -0.050 0.000 2.132 418 M HA -0.172 4.278 4.480 -0.049 0.000 0.263 418 M C 2.309 178.662 176.300 0.089 0.000 1.065 418 M CA 1.317 56.632 55.300 0.023 0.000 1.122 418 M CB -0.587 32.040 32.600 0.045 0.000 1.365 418 M HN 0.075 nan 8.290 nan 0.000 0.411 419 V N 1.157 121.135 119.914 0.107 0.000 2.287 419 V HA -0.264 3.826 4.120 -0.049 0.000 0.248 419 V C 2.315 178.516 176.094 0.179 0.000 1.053 419 V CA 1.856 64.240 62.300 0.140 0.000 1.027 419 V CB -0.617 31.297 31.823 0.152 0.000 0.646 419 V HN 0.424 nan 8.190 nan 0.000 0.447 420 I N -0.203 120.474 120.570 0.178 0.000 2.208 420 I HA -0.278 3.862 4.170 -0.049 0.000 0.245 420 I C 2.559 178.923 176.117 0.412 0.000 1.097 420 I CA 1.944 63.413 61.300 0.281 0.000 1.363 420 I CB -0.689 37.409 38.000 0.163 0.000 1.051 420 I HN 0.336 nan 8.210 nan 0.000 0.413 421 T N 0.730 115.476 114.554 0.321 0.000 2.622 421 T HA -0.206 4.114 4.350 -0.049 0.000 0.266 421 T C 2.063 176.845 174.700 0.137 0.000 1.047 421 T CA 1.726 63.998 62.100 0.286 0.000 1.159 421 T CB -0.391 68.582 68.868 0.175 0.000 0.863 421 T HN 0.498 nan 8.240 nan 0.000 0.422 422 A N 1.378 124.268 122.820 0.117 0.000 1.940 422 A HA -0.135 4.155 4.320 -0.049 0.000 0.219 422 A C 2.327 179.978 177.584 0.112 0.000 1.176 422 A CA 2.211 54.297 52.037 0.082 0.000 0.631 422 A CB -0.750 18.300 19.000 0.082 0.000 0.814 422 A HN 0.636 nan 8.150 nan 0.000 0.446 423 M N -2.203 117.512 119.600 0.191 0.000 2.175 423 M HA -0.105 4.345 4.480 -0.049 0.000 0.264 423 M C 2.075 178.512 176.300 0.228 0.000 1.063 423 M CA 2.077 57.511 55.300 0.225 0.000 1.119 423 M CB -0.354 32.426 32.600 0.300 0.000 1.377 423 M HN 0.426 nan 8.290 nan 0.000 0.415 424 Y N 1.001 121.346 120.300 0.075 0.000 2.181 424 Y HA -0.131 4.389 4.550 -0.049 0.000 0.288 424 Y C 2.317 178.133 175.900 -0.141 0.000 1.146 424 Y CA 1.988 59.955 58.100 -0.221 0.000 1.164 424 Y CB -0.556 37.630 38.460 -0.456 0.000 0.982 424 Y HN 0.382 nan 8.280 nan 0.000 0.515 425 A N 0.601 123.422 122.820 0.001 0.000 1.859 425 A HA -0.236 4.054 4.320 -0.049 0.000 0.217 425 A C 2.272 179.803 177.584 -0.088 0.000 1.198 425 A CA 2.236 54.219 52.037 -0.090 0.000 0.629 425 A CB -1.300 17.656 19.000 -0.074 0.000 0.830 425 A HN 0.560 nan 8.150 nan 0.000 0.446 426 L N -0.488 120.716 121.223 -0.032 0.000 2.046 426 L HA -0.172 4.138 4.340 -0.049 0.000 0.208 426 L C 1.789 178.622 176.870 -0.062 0.000 1.077 426 L CA 1.295 56.117 54.840 -0.029 0.000 0.747 426 L CB -0.555 41.509 42.059 0.008 0.000 0.896 426 L HN 0.396 nan 8.230 nan 0.000 0.432 427 N N -1.401 117.265 118.700 -0.056 0.000 2.398 427 N HA -0.034 4.677 4.740 -0.049 0.000 0.188 427 N C 0.392 175.663 175.510 -0.399 0.000 1.122 427 N CA 0.751 53.706 53.050 -0.159 0.000 0.866 427 N CB 0.426 38.870 38.487 -0.072 0.000 0.970 427 N HN 0.413 nan 8.380 nan 0.000 0.462 428 Y N -0.762 119.298 120.300 -0.399 0.000 2.767 428 Y HA 0.103 4.623 4.550 -0.049 0.000 0.254 428 Y C 1.427 177.157 175.900 -0.283 0.000 1.133 428 Y CA -0.708 57.126 58.100 -0.443 0.000 1.225 428 Y CB -0.035 37.864 38.460 -0.935 0.000 1.312 428 Y HN 0.045 nan 8.280 nan 0.000 0.560 429 N N 0.738 119.379 118.700 -0.098 0.000 2.043 429 N HA -0.148 4.563 4.740 -0.049 0.000 0.193 429 N C 0.648 176.162 175.510 0.007 0.000 1.037 429 N CA 0.854 53.872 53.050 -0.053 0.000 0.851 429 N CB -0.075 38.379 38.487 -0.054 0.000 1.027 429 N HN -0.039 nan 8.380 nan 0.000 0.422 430 R N 0.332 120.826 120.500 -0.009 0.000 2.641 430 R HA 0.242 4.553 4.340 -0.049 0.000 0.269 430 R C 0.849 177.167 176.300 0.029 0.000 1.074 430 R CA 0.418 56.524 56.100 0.010 0.000 1.133 430 R CB 0.375 30.669 30.300 -0.011 0.000 1.029 430 R HN 0.513 nan 8.270 nan 0.000 0.488 431 L N -0.902 120.347 121.223 0.044 0.000 5.044 431 L HA -0.347 3.964 4.340 -0.049 0.000 0.412 431 L C 0.556 177.494 176.870 0.112 0.000 0.971 431 L CA 1.715 56.588 54.840 0.055 0.000 1.411 431 L CB -1.356 40.720 42.059 0.029 0.000 1.884 431 L HN 0.904 nan 8.230 nan 0.000 0.631 432 H N 2.343 121.436 119.070 0.039 0.000 2.307 432 H HA 0.111 4.637 4.556 -0.050 0.000 0.303 432 H C 0.388 175.759 175.328 0.071 0.000 1.073 432 H CA 2.400 58.490 56.048 0.070 0.000 1.338 432 H CB 0.278 30.076 29.762 0.059 0.000 1.389 432 H HN 0.426 nan 8.280 nan 0.000 0.503 433 K N 1.342 121.640 120.400 -0.171 0.000 5.898 433 K HA -0.137 4.154 4.320 -0.049 0.000 0.595 433 K C -1.284 175.073 176.600 -0.405 0.000 1.356 433 K CA 0.417 56.567 56.287 -0.229 0.000 1.535 433 K CB -2.183 30.218 32.500 -0.165 0.000 1.834 433 K HN 0.560 nan 8.250 nan 0.000 0.372 434 N N 2.422 121.012 118.700 -0.183 0.000 2.518 434 N HA 0.095 4.805 4.740 -0.049 0.000 0.266 434 N C -1.226 174.216 175.510 -0.114 0.000 1.196 434 N CA -1.211 51.796 53.050 -0.073 0.000 0.947 434 N CB 0.540 39.080 38.487 0.087 0.000 1.098 434 N HN 0.117 nan 8.380 nan 0.000 0.450 435 P HA -0.066 nan 4.420 nan 0.000 0.221 435 P C -0.574 176.360 177.300 -0.610 0.000 1.145 435 P CA 1.426 64.306 63.100 -0.366 0.000 0.795 435 P CB 0.104 31.592 31.700 -0.353 0.000 0.775 436 Y N -1.566 118.745 120.300 0.019 0.000 2.520 436 Y HA 0.302 4.822 4.550 -0.050 0.000 0.339 436 Y C -2.206 173.705 175.900 0.019 0.000 1.113 436 Y CA -2.237 55.874 58.100 0.017 0.000 1.255 436 Y CB 0.233 38.705 38.460 0.020 0.000 1.099 436 Y HN -0.051 nan 8.280 nan 0.000 0.628 437 P HA 0.284 nan 4.420 nan 0.000 0.275 437 P C 0.283 177.628 177.300 0.075 0.000 1.266 437 P CA -0.417 62.730 63.100 0.078 0.000 0.793 437 P CB 1.307 33.031 31.700 0.039 0.000 1.074 438 L N -0.468 120.789 121.223 0.056 0.000 2.928 438 L HA 0.298 4.608 4.340 -0.049 0.000 0.162 438 L C 0.396 177.287 176.870 0.035 0.000 1.540 438 L CA -0.133 54.733 54.840 0.044 0.000 1.836 438 L CB -0.236 41.845 42.059 0.037 0.000 2.626 438 L HN 0.369 nan 8.230 nan 0.000 0.549 439 D N -1.961 118.455 120.400 0.027 0.000 3.543 439 D HA 0.555 5.165 4.640 -0.049 0.000 0.249 439 D C -0.461 175.849 176.300 0.017 0.000 1.444 439 D CA 0.140 54.152 54.000 0.021 0.000 1.032 439 D CB -0.357 40.454 40.800 0.019 0.000 1.283 439 D HN 0.727 nan 8.370 nan 0.000 0.639 440 A N 0.000 122.828 122.820 0.014 0.000 2.254 440 A HA 0.000 4.290 4.320 -0.049 0.000 0.244 440 A CA 0.000 52.044 52.037 0.011 0.000 0.836 440 A CB 0.000 19.006 19.000 0.011 0.000 0.831 440 A HN 0.000 nan 8.150 nan 0.000 0.486