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 2j3z_1_B DATA FIRST_RESID 2 DATA SEQUENCE PIIKEPIDFI NKPESEAKKW GKEEEKRWFT KLNNLEEVAV NQLKNKEYKT DATA SEQUENCE KIDNFSTDIL FSSLTAIEIM KEDENRNLFD VERIREALLK NTLDRDAIGY DATA SEQUENCE VNFTPKELGI NFSIRDVELD RDISDETLDK VRQQIINQEY TKFSFISLGL DATA SEQUENCE NDNSINESVP VIVKTRVPTT FDYGVLNDKE TVSLLLNQGF SIIPESAIIT DATA SEQUENCE TIKGKDYILI EGSLSQELDF YNKGSEAWGA ENYGDYISKL SHEQLGALEG DATA SEQUENCE YLHSDYKAIN SYLRNNRVPN NDELNKKIEL ISSALSVKPI PQTLIAYRRV DATA SEQUENCE DGIPFDLPSD FSFDKKENGE IIADKQKLNE FIDKWTGKEI ENLSFSSTSL DATA SEQUENCE KSTPSSFSKS RFIFRLRLSE GAIGAFIYGF SGFQDEQEIL LNKNSTFKIF DATA SEQUENCE RITPITSIIN RVTKMTQVVI DAEGIQNKEI 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.305 177.300 0.009 0.000 1.155 2 P CA 0.000 63.111 63.100 0.018 0.000 0.800 2 P CB 0.000 31.715 31.700 0.025 0.000 0.726 3 I N 1.334 121.909 120.570 0.009 0.000 2.775 3 I HA 0.072 4.243 4.170 0.001 0.000 0.290 3 I C 1.022 177.135 176.117 -0.007 0.000 1.203 3 I CA -0.245 61.056 61.300 0.002 0.000 1.433 3 I CB -0.008 37.995 38.000 0.006 0.000 1.354 3 I HN 0.244 nan 8.210 nan 0.000 0.579 4 I N 4.767 125.330 120.570 -0.013 0.000 2.474 4 I HA 0.404 4.574 4.170 0.001 0.000 0.287 4 I C -0.444 175.655 176.117 -0.030 0.000 1.048 4 I CA -0.398 60.888 61.300 -0.024 0.000 1.383 4 I CB 0.715 38.699 38.000 -0.027 0.000 1.412 4 I HN 0.436 nan 8.210 nan 0.000 0.531 5 K N 4.779 125.152 120.400 -0.044 0.000 2.477 5 K HA 0.302 4.622 4.320 0.001 0.000 0.255 5 K C -0.967 175.587 176.600 -0.077 0.000 0.952 5 K CA -0.687 55.568 56.287 -0.053 0.000 0.826 5 K CB 2.236 34.708 32.500 -0.047 0.000 1.331 5 K HN 0.877 nan 8.250 nan 0.000 0.437 6 E N 1.870 122.016 120.200 -0.090 0.000 2.392 6 E HA 0.171 4.522 4.350 0.001 0.000 0.264 6 E C -2.132 174.373 176.600 -0.158 0.000 1.024 6 E CA -1.490 54.838 56.400 -0.120 0.000 0.903 6 E CB -0.063 29.563 29.700 -0.125 0.000 0.963 6 E HN 0.062 nan 8.360 nan 0.000 0.432 7 P HA -0.042 nan 4.420 nan 0.000 0.267 7 P C -0.467 176.643 177.300 -0.317 0.000 1.201 7 P CA 0.204 63.168 63.100 -0.226 0.000 0.775 7 P CB 0.325 31.893 31.700 -0.221 0.000 0.854 8 I N 2.292 122.642 120.570 -0.366 0.000 2.581 8 I HA 0.043 4.214 4.170 0.001 0.000 0.285 8 I C 0.652 176.438 176.117 -0.553 0.000 1.129 8 I CA 1.075 62.032 61.300 -0.571 0.000 1.397 8 I CB -0.182 37.487 38.000 -0.550 0.000 1.399 8 I HN 0.227 nan 8.210 nan 0.000 0.537 9 D N 6.709 126.684 120.400 -0.709 0.000 2.337 9 D HA 0.193 4.834 4.640 0.001 0.000 0.238 9 D C -0.143 175.835 176.300 -0.537 0.000 1.331 9 D CA -0.345 53.355 54.000 -0.500 0.000 0.967 9 D CB 0.442 41.036 40.800 -0.342 0.000 1.382 9 D HN 0.298 nan 8.370 nan 0.000 0.549 10 F N 1.810 121.609 119.950 -0.252 0.000 2.727 10 F HA 0.277 4.805 4.527 0.001 0.000 0.302 10 F C 2.141 177.861 175.800 -0.134 0.000 1.097 10 F CA -0.225 57.659 58.000 -0.194 0.000 1.330 10 F CB 0.217 39.094 39.000 -0.204 0.000 1.084 10 F HN 0.315 nan 8.300 nan 0.000 0.578 11 I N 0.363 120.922 120.570 -0.018 0.000 2.194 11 I HA -0.341 3.830 4.170 0.001 0.000 0.246 11 I C 0.787 176.915 176.117 0.019 0.000 1.093 11 I CA 1.776 63.069 61.300 -0.012 0.000 1.355 11 I CB -0.320 37.628 38.000 -0.087 0.000 1.046 11 I HN 0.138 nan 8.210 nan 0.000 0.413 12 N N 0.689 119.385 118.700 -0.008 0.000 2.538 12 N HA 0.208 4.949 4.740 0.001 0.000 0.291 12 N C -0.577 174.939 175.510 0.011 0.000 1.323 12 N CA -0.085 52.965 53.050 -0.000 0.000 0.934 12 N CB 0.440 38.915 38.487 -0.020 0.000 1.255 12 N HN 0.194 nan 8.380 nan 0.000 0.509 13 K N 0.743 121.173 120.400 0.049 0.000 2.443 13 K HA 0.466 4.787 4.320 0.001 0.000 0.251 13 K C -2.770 173.878 176.600 0.081 0.000 0.972 13 K CA -1.945 54.388 56.287 0.077 0.000 0.833 13 K CB 1.826 34.412 32.500 0.144 0.000 1.317 13 K HN -0.152 nan 8.250 nan 0.000 0.441 14 P HA -0.004 nan 4.420 nan 0.000 0.265 14 P C -0.110 177.203 177.300 0.021 0.000 1.193 14 P CA 0.266 63.390 63.100 0.040 0.000 0.765 14 P CB 0.531 32.252 31.700 0.035 0.000 0.823 15 E N 1.079 121.281 120.200 0.003 0.000 2.130 15 E HA -0.216 4.135 4.350 0.001 0.000 0.196 15 E C 1.805 178.374 176.600 -0.052 0.000 0.998 15 E CA 1.819 58.204 56.400 -0.026 0.000 0.806 15 E CB -0.201 29.493 29.700 -0.010 0.000 0.738 15 E HN 0.568 nan 8.360 nan 0.000 0.459 16 S N 0.697 116.383 115.700 -0.024 0.000 2.399 16 S HA -0.181 4.289 4.470 0.001 0.000 0.231 16 S C 1.801 176.383 174.600 -0.030 0.000 1.022 16 S CA 0.979 59.167 58.200 -0.020 0.000 0.983 16 S CB -0.126 63.074 63.200 0.000 0.000 0.803 16 S HN 0.236 nan 8.310 nan 0.000 0.480 17 E N 1.492 121.676 120.200 -0.025 0.000 2.107 17 E HA 0.047 4.398 4.350 0.001 0.000 0.191 17 E C 2.444 178.912 176.600 -0.221 0.000 0.982 17 E CA 0.836 57.237 56.400 0.002 0.000 0.809 17 E CB -0.356 29.419 29.700 0.124 0.000 0.756 17 E HN 0.698 nan 8.360 nan 0.000 0.459 18 A N 1.778 124.280 122.820 -0.530 0.000 1.902 18 A HA -0.191 4.130 4.320 0.001 0.000 0.217 18 A C 2.002 179.369 177.584 -0.361 0.000 1.181 18 A CA 1.198 52.630 52.037 -1.008 0.000 0.623 18 A CB -0.200 18.348 19.000 -0.754 0.000 0.818 18 A HN -0.018 nan 8.150 nan 0.000 0.443 19 K N -0.157 120.137 120.400 -0.176 0.000 2.026 19 K HA -0.171 4.150 4.320 0.001 0.000 0.208 19 K C 2.110 178.693 176.600 -0.029 0.000 1.048 19 K CA 1.785 58.031 56.287 -0.069 0.000 0.929 19 K CB -0.312 32.160 32.500 -0.046 0.000 0.713 19 K HN 0.550 nan 8.250 nan 0.000 0.439 20 K N -0.034 120.359 120.400 -0.011 0.000 2.026 20 K HA -0.202 4.119 4.320 0.001 0.000 0.208 20 K C 2.015 178.653 176.600 0.064 0.000 1.048 20 K CA 1.652 57.955 56.287 0.026 0.000 0.929 20 K CB -0.371 32.158 32.500 0.049 0.000 0.713 20 K HN 0.183 nan 8.250 nan 0.000 0.439 21 W N 0.656 121.900 121.300 -0.094 0.000 2.358 21 W HA -0.066 4.594 4.660 0.001 0.000 0.303 21 W C 1.837 178.333 176.519 -0.038 0.000 1.208 21 W CA 2.169 59.497 57.345 -0.028 0.000 1.274 21 W CB -0.610 28.868 29.460 0.031 0.000 1.138 21 W HN 0.209 nan 8.180 nan 0.000 0.515 22 G N 0.048 108.937 108.800 0.148 0.000 2.443 22 G HA2 -0.253 3.708 3.960 0.001 0.000 0.219 22 G HA3 -0.253 3.708 3.960 0.001 0.000 0.219 22 G C 1.493 176.312 174.900 -0.135 0.000 1.131 22 G CA 0.970 46.077 45.100 0.012 0.000 0.775 22 G HN 0.291 nan 8.290 nan 0.000 0.547 23 K N 0.005 120.339 120.400 -0.110 0.000 2.031 23 K HA -0.040 4.281 4.320 0.001 0.000 0.205 23 K C 2.328 178.828 176.600 -0.167 0.000 1.049 23 K CA 0.953 57.166 56.287 -0.124 0.000 0.939 23 K CB -0.034 32.420 32.500 -0.076 0.000 0.717 23 K HN 0.049 nan 8.250 nan 0.000 0.438 24 E N 0.900 120.992 120.200 -0.181 0.000 2.106 24 E HA -0.143 4.208 4.350 0.001 0.000 0.192 24 E C 1.920 178.368 176.600 -0.253 0.000 0.984 24 E CA 0.926 57.213 56.400 -0.188 0.000 0.806 24 E CB 0.103 29.708 29.700 -0.159 0.000 0.750 24 E HN 0.288 nan 8.360 nan 0.000 0.458 25 E N 0.566 120.517 120.200 -0.415 0.000 2.051 25 E HA -0.205 4.146 4.350 0.001 0.000 0.192 25 E C 2.037 178.496 176.600 -0.236 0.000 0.991 25 E CA 0.845 56.978 56.400 -0.444 0.000 0.799 25 E CB -0.146 29.037 29.700 -0.862 0.000 0.748 25 E HN 0.429 nan 8.360 nan 0.000 0.449 26 E N 1.207 121.260 120.200 -0.246 0.000 2.077 26 E HA -0.205 4.145 4.350 0.001 0.000 0.193 26 E C 2.160 178.528 176.600 -0.386 0.000 0.989 26 E CA 1.109 57.322 56.400 -0.311 0.000 0.800 26 E CB 0.027 29.435 29.700 -0.487 0.000 0.746 26 E HN 0.036 nan 8.360 nan 0.000 0.452 27 K N 0.763 120.995 120.400 -0.279 0.000 2.063 27 K HA -0.233 4.088 4.320 0.001 0.000 0.208 27 K C 2.429 179.010 176.600 -0.032 0.000 1.048 27 K CA 1.573 57.767 56.287 -0.154 0.000 0.928 27 K CB -0.160 32.274 32.500 -0.109 0.000 0.713 27 K HN -0.006 nan 8.250 nan 0.000 0.442 28 R N -0.423 120.056 120.500 -0.034 0.000 2.083 28 R HA -0.201 4.140 4.340 0.001 0.000 0.237 28 R C 2.167 178.549 176.300 0.135 0.000 1.137 28 R CA 1.945 58.057 56.100 0.022 0.000 0.951 28 R CB -0.500 29.782 30.300 -0.029 0.000 0.851 28 R HN 0.406 nan 8.270 nan 0.000 0.434 29 W N 0.733 121.988 121.300 -0.075 0.000 2.378 29 W HA -0.147 4.513 4.660 0.001 0.000 0.313 29 W C 1.664 178.289 176.519 0.178 0.000 1.197 29 W CA 0.969 58.317 57.345 0.005 0.000 1.304 29 W CB -0.827 28.621 29.460 -0.020 0.000 1.148 29 W HN 0.063 nan 8.180 nan 0.000 0.494 30 F N 1.420 121.318 119.950 -0.086 0.000 2.192 30 F HA -0.257 4.270 4.527 0.001 0.000 0.301 30 F C 2.704 178.408 175.800 -0.159 0.000 1.079 30 F CA 2.122 59.970 58.000 -0.253 0.000 1.303 30 F CB -1.724 37.162 39.000 -0.189 0.000 1.024 30 F HN -0.013 nan 8.300 nan 0.000 0.494 31 T N -2.092 112.533 114.554 0.119 0.000 2.821 31 T HA -0.193 4.157 4.350 0.001 0.000 0.267 31 T C 1.809 176.524 174.700 0.024 0.000 1.046 31 T CA 1.191 63.322 62.100 0.051 0.000 1.139 31 T CB -0.448 68.448 68.868 0.047 0.000 0.871 31 T HN 0.249 nan 8.240 nan 0.000 0.454 32 K N 0.779 121.210 120.400 0.051 0.000 2.365 32 K HA 0.200 4.521 4.320 0.001 0.000 0.199 32 K C 0.511 177.103 176.600 -0.013 0.000 1.045 32 K CA 0.325 56.640 56.287 0.047 0.000 0.962 32 K CB -0.269 32.309 32.500 0.130 0.000 0.759 32 K HN 0.421 nan 8.250 nan 0.000 0.469 33 L N 2.440 123.605 121.223 -0.097 0.000 2.357 33 L HA 0.140 4.481 4.340 0.001 0.000 0.273 33 L C 0.220 176.998 176.870 -0.155 0.000 1.080 33 L CA -1.109 53.623 54.840 -0.180 0.000 0.803 33 L CB 0.692 42.516 42.059 -0.392 0.000 1.174 33 L HN 0.149 nan 8.230 nan 0.000 0.443 34 N N 0.603 119.220 118.700 -0.138 0.000 2.354 34 N HA -0.041 4.700 4.740 0.001 0.000 0.246 34 N C 0.497 175.905 175.510 -0.170 0.000 1.285 34 N CA -0.403 52.572 53.050 -0.125 0.000 0.925 34 N CB 0.267 38.698 38.487 -0.093 0.000 1.174 34 N HN 0.589 nan 8.380 nan 0.000 0.478 35 N N -0.082 118.533 118.700 -0.141 0.000 2.037 35 N HA -0.192 4.549 4.740 0.001 0.000 0.196 35 N C 1.160 176.565 175.510 -0.175 0.000 1.034 35 N CA 1.589 54.546 53.050 -0.154 0.000 0.861 35 N CB -0.295 38.127 38.487 -0.108 0.000 1.039 35 N HN 0.525 nan 8.380 nan 0.000 0.427 36 L N 1.105 122.246 121.223 -0.136 0.000 2.141 36 L HA -0.014 4.326 4.340 0.001 0.000 0.209 36 L C 2.111 178.889 176.870 -0.154 0.000 1.094 36 L CA 1.447 56.215 54.840 -0.120 0.000 0.763 36 L CB -1.050 40.965 42.059 -0.073 0.000 0.908 36 L HN 0.355 nan 8.230 nan 0.000 0.437 37 E N -0.851 119.237 120.200 -0.186 0.000 2.072 37 E HA -0.241 4.110 4.350 0.001 0.000 0.191 37 E C 1.995 178.365 176.600 -0.384 0.000 0.985 37 E CA 1.094 57.355 56.400 -0.233 0.000 0.801 37 E CB -0.005 29.563 29.700 -0.220 0.000 0.750 37 E HN 0.538 nan 8.360 nan 0.000 0.452 38 E N 0.763 120.683 120.200 -0.465 0.000 2.028 38 E HA -0.157 4.194 4.350 0.001 0.000 0.191 38 E C 2.213 178.469 176.600 -0.573 0.000 0.988 38 E CA 0.822 56.786 56.400 -0.726 0.000 0.799 38 E CB 0.142 29.423 29.700 -0.699 0.000 0.755 38 E HN 0.006 nan 8.360 nan 0.000 0.447 39 V N 1.343 121.034 119.914 -0.372 0.000 2.278 39 V HA -0.357 3.764 4.120 0.001 0.000 0.251 39 V C 2.407 178.330 176.094 -0.286 0.000 1.062 39 V CA 2.164 64.293 62.300 -0.285 0.000 1.038 39 V CB -0.764 30.939 31.823 -0.200 0.000 0.646 39 V HN 0.485 nan 8.190 nan 0.000 0.447 40 A N -0.994 121.693 122.820 -0.223 0.000 1.873 40 A HA -0.141 4.180 4.320 0.001 0.000 0.215 40 A C 2.375 179.898 177.584 -0.102 0.000 1.186 40 A CA 1.970 53.943 52.037 -0.106 0.000 0.616 40 A CB -0.655 18.331 19.000 -0.024 0.000 0.823 40 A HN 0.321 nan 8.150 nan 0.000 0.442 41 V N 0.713 120.493 119.914 -0.225 0.000 2.307 41 V HA -0.241 3.880 4.120 0.001 0.000 0.245 41 V C 2.433 178.457 176.094 -0.115 0.000 1.045 41 V CA 2.352 64.535 62.300 -0.196 0.000 1.024 41 V CB -0.987 30.569 31.823 -0.445 0.000 0.651 41 V HN 0.702 nan 8.190 nan 0.000 0.449 42 N N -0.007 118.552 118.700 -0.235 0.000 2.205 42 N HA -0.207 4.534 4.740 0.001 0.000 0.186 42 N C 1.857 177.309 175.510 -0.097 0.000 1.015 42 N CA 1.423 54.424 53.050 -0.081 0.000 0.862 42 N CB -0.165 38.231 38.487 -0.150 0.000 0.986 42 N HN 0.539 nan 8.380 nan 0.000 0.429 43 Q N -0.493 119.148 119.800 -0.265 0.000 2.436 43 Q HA 0.028 4.369 4.340 0.001 0.000 0.209 43 Q C 1.484 177.405 176.000 -0.131 0.000 0.965 43 Q CA 0.289 55.832 55.803 -0.433 0.000 0.910 43 Q CB 0.073 28.111 28.738 -1.166 0.000 0.980 43 Q HN 0.486 nan 8.270 nan 0.000 0.491 44 L N 0.221 121.503 121.223 0.100 0.000 2.456 44 L HA -0.158 4.183 4.340 0.001 0.000 0.224 44 L C 1.774 178.742 176.870 0.164 0.000 1.148 44 L CA 0.921 55.910 54.840 0.247 0.000 0.825 44 L CB -0.149 42.034 42.059 0.206 0.000 0.937 44 L HN 0.108 nan 8.230 nan 0.000 0.450 45 K N -0.350 120.112 120.400 0.104 0.000 2.366 45 K HA -0.043 4.278 4.320 0.001 0.000 0.198 45 K C 0.887 177.532 176.600 0.075 0.000 1.044 45 K CA 0.055 56.395 56.287 0.089 0.000 0.973 45 K CB -0.032 32.510 32.500 0.070 0.000 0.767 45 K HN 0.193 nan 8.250 nan 0.000 0.475 46 N N 1.778 120.523 118.700 0.075 0.000 2.422 46 N HA -0.015 4.726 4.740 0.001 0.000 0.264 46 N C 0.355 175.941 175.510 0.126 0.000 1.063 46 N CA 0.213 53.311 53.050 0.080 0.000 0.959 46 N CB 1.139 39.658 38.487 0.052 0.000 1.087 46 N HN -0.020 nan 8.380 nan 0.000 0.483 47 K N 3.056 123.514 120.400 0.096 0.000 2.097 47 K HA -0.116 4.204 4.320 0.001 0.000 0.206 47 K C 1.099 177.757 176.600 0.096 0.000 1.049 47 K CA 1.248 57.591 56.287 0.092 0.000 0.933 47 K CB 0.275 32.816 32.500 0.068 0.000 0.717 47 K HN 0.634 nan 8.250 nan 0.000 0.442 48 E N -0.843 119.416 120.200 0.098 0.000 2.072 48 E HA -0.190 4.161 4.350 0.001 0.000 0.190 48 E C 1.811 178.476 176.600 0.107 0.000 0.982 48 E CA 0.953 57.405 56.400 0.086 0.000 0.803 48 E CB -0.096 29.650 29.700 0.077 0.000 0.755 48 E HN 0.334 nan 8.360 nan 0.000 0.453 49 Y N 1.891 122.202 120.300 0.019 0.000 2.163 49 Y HA -0.200 4.351 4.550 0.001 0.000 0.288 49 Y C 2.325 178.246 175.900 0.034 0.000 1.136 49 Y CA 1.838 59.946 58.100 0.014 0.000 1.147 49 Y CB 0.016 38.476 38.460 0.000 0.000 0.987 49 Y HN -0.190 nan 8.280 nan 0.000 0.509 50 K N -0.534 119.974 120.400 0.179 0.000 2.044 50 K HA -0.198 4.122 4.320 0.001 0.000 0.210 50 K C 1.928 178.546 176.600 0.031 0.000 1.049 50 K CA 2.296 58.645 56.287 0.102 0.000 0.927 50 K CB -0.393 32.196 32.500 0.149 0.000 0.713 50 K HN 0.336 nan 8.250 nan 0.000 0.443 51 T N 0.874 115.450 114.554 0.037 0.000 2.746 51 T HA -0.157 4.194 4.350 0.001 0.000 0.267 51 T C 1.708 176.411 174.700 0.005 0.000 1.039 51 T CA 1.594 63.712 62.100 0.030 0.000 1.142 51 T CB -0.158 68.731 68.868 0.035 0.000 0.866 51 T HN 0.342 nan 8.240 nan 0.000 0.444 52 K N 0.528 120.904 120.400 -0.040 0.000 2.032 52 K HA -0.103 4.217 4.320 0.001 0.000 0.209 52 K C 2.147 178.707 176.600 -0.066 0.000 1.048 52 K CA 1.234 57.482 56.287 -0.065 0.000 0.927 52 K CB -0.168 32.254 32.500 -0.131 0.000 0.712 52 K HN 0.176 nan 8.250 nan 0.000 0.441 53 I N 2.059 122.520 120.570 -0.182 0.000 2.202 53 I HA -0.232 3.938 4.170 0.001 0.000 0.242 53 I C 1.792 177.976 176.117 0.112 0.000 1.091 53 I CA 1.422 62.663 61.300 -0.098 0.000 1.368 53 I CB -1.131 36.715 38.000 -0.256 0.000 1.058 53 I HN 0.247 nan 8.210 nan 0.000 0.410 54 D N 0.837 121.300 120.400 0.106 0.000 2.117 54 D HA -0.168 4.473 4.640 0.001 0.000 0.197 54 D C 1.931 178.281 176.300 0.085 0.000 0.987 54 D CA 1.219 55.296 54.000 0.127 0.000 0.829 54 D CB -0.458 40.407 40.800 0.109 0.000 0.961 54 D HN 0.451 nan 8.370 nan 0.000 0.460 55 N N -0.450 118.295 118.700 0.074 0.000 2.043 55 N HA -0.166 4.574 4.740 0.001 0.000 0.193 55 N C 1.765 177.317 175.510 0.070 0.000 1.037 55 N CA 0.649 53.736 53.050 0.061 0.000 0.851 55 N CB -0.229 38.289 38.487 0.052 0.000 1.027 55 N HN 0.060 nan 8.380 nan 0.000 0.422 56 F N 1.909 121.834 119.950 -0.043 0.000 2.134 56 F HA -0.166 4.361 4.527 0.001 0.000 0.299 56 F C 2.682 178.444 175.800 -0.063 0.000 1.097 56 F CA 1.341 59.310 58.000 -0.051 0.000 1.264 56 F CB -0.286 38.681 39.000 -0.055 0.000 1.001 56 F HN 0.016 nan 8.300 nan 0.000 0.479 57 S N -1.674 114.104 115.700 0.129 0.000 2.469 57 S HA -0.156 4.315 4.470 0.001 0.000 0.238 57 S C 1.754 176.235 174.600 -0.198 0.000 0.998 57 S CA 1.537 59.711 58.200 -0.044 0.000 0.957 57 S CB -0.941 62.194 63.200 -0.109 0.000 0.764 57 S HN 0.411 nan 8.310 nan 0.000 0.514 58 T N 2.100 116.579 114.554 -0.126 0.000 2.852 58 T HA 0.007 4.358 4.350 0.001 0.000 0.256 58 T C 1.341 175.946 174.700 -0.158 0.000 1.038 58 T CA 1.066 63.103 62.100 -0.104 0.000 1.141 58 T CB -0.525 68.367 68.868 0.039 0.000 0.869 58 T HN 0.378 nan 8.240 nan 0.000 0.439 59 D N 2.077 122.360 120.400 -0.195 0.000 2.133 59 D HA -0.117 4.524 4.640 0.001 0.000 0.195 59 D C 2.108 178.196 176.300 -0.352 0.000 0.997 59 D CA 1.110 54.956 54.000 -0.257 0.000 0.840 59 D CB -0.489 40.078 40.800 -0.388 0.000 0.947 59 D HN 0.551 nan 8.370 nan 0.000 0.452 60 I N -1.840 118.435 120.570 -0.492 0.000 2.614 60 I HA -0.155 4.016 4.170 0.001 0.000 0.258 60 I C 1.554 177.425 176.117 -0.412 0.000 1.189 60 I CA 0.744 61.779 61.300 -0.442 0.000 1.462 60 I CB -0.211 37.547 38.000 -0.403 0.000 1.092 60 I HN -0.145 nan 8.210 nan 0.000 0.442 61 L N 0.629 121.503 121.223 -0.582 0.000 2.291 61 L HA 0.054 4.394 4.340 0.001 0.000 0.214 61 L C 1.033 177.250 176.870 -1.087 0.000 1.120 61 L CA 1.603 55.898 54.840 -0.907 0.000 0.799 61 L CB -0.916 40.289 42.059 -1.423 0.000 0.925 61 L HN 0.279 nan 8.230 nan 0.000 0.446 62 F N -1.769 118.012 119.950 -0.281 0.000 2.881 62 F HA 0.321 4.849 4.527 0.001 0.000 0.343 62 F C 0.659 176.331 175.800 -0.214 0.000 1.233 62 F CA -0.316 57.528 58.000 -0.260 0.000 1.262 62 F CB 0.139 38.968 39.000 -0.286 0.000 0.980 62 F HN -0.256 nan 8.300 nan 0.000 0.506 63 S N -0.259 115.361 115.700 -0.134 0.000 2.536 63 S HA 0.476 4.946 4.470 0.001 0.000 0.298 63 S C -0.000 174.540 174.600 -0.099 0.000 1.083 63 S CA -0.944 57.188 58.200 -0.112 0.000 0.995 63 S CB 1.683 64.790 63.200 -0.156 0.000 1.058 63 S HN 0.285 nan 8.310 nan 0.000 0.488 64 S N 1.843 117.505 115.700 -0.063 0.000 2.576 64 S HA 0.166 4.637 4.470 0.001 0.000 0.272 64 S C 1.080 175.651 174.600 -0.048 0.000 1.352 64 S CA -0.547 57.625 58.200 -0.047 0.000 1.021 64 S CB 0.055 63.237 63.200 -0.031 0.000 0.887 64 S HN 0.443 nan 8.310 nan 0.000 0.542 65 L N 2.178 123.380 121.223 -0.034 0.000 2.127 65 L HA -0.043 4.298 4.340 0.001 0.000 0.211 65 L C 2.781 179.642 176.870 -0.015 0.000 1.089 65 L CA 1.826 56.652 54.840 -0.022 0.000 0.757 65 L CB -2.226 39.828 42.059 -0.008 0.000 0.899 65 L HN 0.939 nan 8.230 nan 0.000 0.434 66 T N -0.436 114.108 114.554 -0.018 0.000 2.746 66 T HA -0.165 4.186 4.350 0.001 0.000 0.267 66 T C 1.945 176.636 174.700 -0.016 0.000 1.039 66 T CA 1.349 63.440 62.100 -0.015 0.000 1.142 66 T CB -0.230 68.625 68.868 -0.021 0.000 0.866 66 T HN 0.427 nan 8.240 nan 0.000 0.444 67 A N 1.351 124.155 122.820 -0.026 0.000 1.969 67 A HA -0.011 4.310 4.320 0.001 0.000 0.218 67 A C 2.174 179.746 177.584 -0.019 0.000 1.169 67 A CA 0.920 52.940 52.037 -0.028 0.000 0.635 67 A CB -0.549 18.422 19.000 -0.047 0.000 0.810 67 A HN 0.369 nan 8.150 nan 0.000 0.445 68 I N 0.226 120.782 120.570 -0.022 0.000 2.142 68 I HA -0.167 4.003 4.170 0.001 0.000 0.240 68 I C 2.400 178.534 176.117 0.029 0.000 1.078 68 I CA 1.306 62.606 61.300 -0.001 0.000 1.343 68 I CB -1.552 36.441 38.000 -0.011 0.000 1.046 68 I HN 0.299 nan 8.210 nan 0.000 0.405 69 E N 0.817 121.029 120.200 0.021 0.000 2.085 69 E HA -0.170 4.181 4.350 0.001 0.000 0.194 69 E C 2.378 178.997 176.600 0.032 0.000 0.994 69 E CA 1.022 57.441 56.400 0.031 0.000 0.801 69 E CB -0.374 29.337 29.700 0.019 0.000 0.743 69 E HN 0.488 nan 8.360 nan 0.000 0.453 70 I N 0.543 121.124 120.570 0.017 0.000 2.151 70 I HA -0.327 3.844 4.170 0.001 0.000 0.243 70 I C 2.623 178.751 176.117 0.018 0.000 1.080 70 I CA 1.256 62.564 61.300 0.012 0.000 1.339 70 I CB -0.261 37.739 38.000 0.001 0.000 1.039 70 I HN 0.116 nan 8.210 nan 0.000 0.409 71 M N -0.091 119.527 119.600 0.029 0.000 2.229 71 M HA -0.191 4.290 4.480 0.001 0.000 0.264 71 M C 2.255 178.579 176.300 0.040 0.000 1.063 71 M CA 1.595 56.917 55.300 0.036 0.000 1.114 71 M CB -0.216 32.433 32.600 0.081 0.000 1.387 71 M HN 0.135 nan 8.290 nan 0.000 0.420 72 K N 0.248 120.711 120.400 0.104 0.000 2.026 72 K HA -0.172 4.149 4.320 0.001 0.000 0.208 72 K C 1.709 178.402 176.600 0.155 0.000 1.048 72 K CA 1.490 57.899 56.287 0.203 0.000 0.929 72 K CB -0.345 32.260 32.500 0.175 0.000 0.713 72 K HN 0.493 nan 8.250 nan 0.000 0.439 73 E N 1.000 121.249 120.200 0.082 0.000 2.110 73 E HA -0.168 4.183 4.350 0.001 0.000 0.193 73 E C 1.559 178.169 176.600 0.018 0.000 0.988 73 E CA 0.831 57.264 56.400 0.055 0.000 0.804 73 E CB -0.038 29.681 29.700 0.032 0.000 0.745 73 E HN 0.248 nan 8.360 nan 0.000 0.458 74 D N 0.489 120.878 120.400 -0.019 0.000 2.363 74 D HA -0.072 4.568 4.640 0.001 0.000 0.226 74 D C -0.304 175.899 176.300 -0.162 0.000 1.020 74 D CA 0.382 54.343 54.000 -0.066 0.000 0.892 74 D CB 0.135 40.899 40.800 -0.060 0.000 0.900 74 D HN 0.176 nan 8.370 nan 0.000 0.531 75 E N 0.541 120.597 120.200 -0.241 0.000 2.476 75 E HA -0.209 4.141 4.350 0.001 0.000 0.251 75 E C 0.080 176.145 176.600 -0.892 0.000 1.130 75 E CA -0.009 55.977 56.400 -0.691 0.000 0.736 75 E CB -1.869 27.631 29.700 -0.333 0.000 1.298 75 E HN 0.278 nan 8.360 nan 0.000 0.400 76 N N 1.044 119.392 118.700 -0.587 0.000 2.365 76 N HA -0.055 4.685 4.740 0.001 0.000 0.265 76 N C 1.047 176.248 175.510 -0.515 0.000 1.288 76 N CA 0.559 53.379 53.050 -0.385 0.000 0.869 76 N CB 0.823 39.235 38.487 -0.125 0.000 1.071 76 N HN 0.181 nan 8.380 nan 0.000 0.480 77 R N 4.713 124.974 120.500 -0.397 0.000 2.115 77 R HA 0.029 4.370 4.340 0.001 0.000 0.226 77 R C 1.103 177.253 176.300 -0.250 0.000 1.100 77 R CA 1.585 57.511 56.100 -0.290 0.000 0.980 77 R CB -0.336 29.855 30.300 -0.182 0.000 0.875 77 R HN 0.700 nan 8.270 nan 0.000 0.445 78 N N -0.284 118.131 118.700 -0.475 0.000 2.142 78 N HA -0.144 4.596 4.740 0.001 0.000 0.186 78 N C 1.436 176.634 175.510 -0.519 0.000 1.023 78 N CA 1.128 53.702 53.050 -0.793 0.000 0.852 78 N CB -0.150 37.248 38.487 -1.814 0.000 0.998 78 N HN 0.098 nan 8.380 nan 0.000 0.424 79 L N 0.283 121.371 121.223 -0.224 0.000 2.056 79 L HA -0.052 4.289 4.340 0.001 0.000 0.207 79 L C 1.578 178.637 176.870 0.314 0.000 1.078 79 L CA 1.487 56.495 54.840 0.280 0.000 0.749 79 L CB -0.488 41.783 42.059 0.353 0.000 0.901 79 L HN 0.025 nan 8.230 nan 0.000 0.433 80 F N 0.494 120.444 119.950 -0.001 0.000 2.069 80 F HA -0.217 4.311 4.527 0.001 0.000 0.298 80 F C 2.481 178.287 175.800 0.010 0.000 1.113 80 F CA 1.380 59.383 58.000 0.005 0.000 1.214 80 F CB -1.325 37.666 39.000 -0.014 0.000 0.978 80 F HN 0.204 nan 8.300 nan 0.000 0.474 81 D N 0.057 120.568 120.400 0.184 0.000 2.133 81 D HA -0.150 4.491 4.640 0.001 0.000 0.195 81 D C 2.551 178.931 176.300 0.134 0.000 0.997 81 D CA 1.210 55.282 54.000 0.121 0.000 0.840 81 D CB -0.570 40.283 40.800 0.087 0.000 0.947 81 D HN 0.089 nan 8.370 nan 0.000 0.452 82 V N 1.016 121.034 119.914 0.173 0.000 2.343 82 V HA -0.223 3.898 4.120 0.001 0.000 0.247 82 V C 2.287 178.545 176.094 0.275 0.000 1.051 82 V CA 1.663 64.138 62.300 0.291 0.000 1.036 82 V CB -0.410 31.618 31.823 0.342 0.000 0.654 82 V HN 0.198 nan 8.190 nan 0.000 0.451 83 E N -0.303 120.017 120.200 0.200 0.000 2.110 83 E HA -0.208 4.143 4.350 0.001 0.000 0.193 83 E C 2.457 179.113 176.600 0.092 0.000 0.988 83 E CA 1.027 57.510 56.400 0.138 0.000 0.804 83 E CB -0.144 29.610 29.700 0.089 0.000 0.745 83 E HN 0.517 nan 8.360 nan 0.000 0.458 84 R N 0.212 120.750 120.500 0.064 0.000 2.115 84 R HA -0.063 4.278 4.340 0.001 0.000 0.230 84 R C 2.260 178.570 176.300 0.016 0.000 1.111 84 R CA 0.891 56.999 56.100 0.013 0.000 0.976 84 R CB -0.127 30.164 30.300 -0.015 0.000 0.870 84 R HN 0.196 nan 8.270 nan 0.000 0.445 85 I N 0.151 120.739 120.570 0.030 0.000 2.233 85 I HA -0.233 3.937 4.170 0.001 0.000 0.243 85 I C 2.328 178.473 176.117 0.047 0.000 1.093 85 I CA 1.207 62.472 61.300 -0.057 0.000 1.380 85 I CB -0.208 37.616 38.000 -0.294 0.000 1.067 85 I HN 0.079 nan 8.210 nan 0.000 0.413 86 R N 0.548 121.168 120.500 0.200 0.000 2.096 86 R HA -0.263 4.078 4.340 0.001 0.000 0.240 86 R C 2.260 178.663 176.300 0.172 0.000 1.139 86 R CA 1.970 58.233 56.100 0.271 0.000 0.952 86 R CB -0.358 30.096 30.300 0.257 0.000 0.854 86 R HN 0.268 nan 8.270 nan 0.000 0.436 87 E N 0.268 120.540 120.200 0.120 0.000 2.077 87 E HA -0.158 4.193 4.350 0.001 0.000 0.193 87 E C 1.858 178.528 176.600 0.117 0.000 0.989 87 E CA 1.471 57.924 56.400 0.089 0.000 0.800 87 E CB -0.106 29.618 29.700 0.040 0.000 0.746 87 E HN 0.386 nan 8.360 nan 0.000 0.452 88 A N 0.302 123.200 122.820 0.131 0.000 1.902 88 A HA -0.164 4.157 4.320 0.001 0.000 0.217 88 A C 2.213 180.067 177.584 0.450 0.000 1.181 88 A CA 1.397 53.575 52.037 0.235 0.000 0.623 88 A CB -0.756 18.311 19.000 0.112 0.000 0.818 88 A HN 0.317 nan 8.150 nan 0.000 0.443 89 L N -1.087 120.335 121.223 0.333 0.000 2.083 89 L HA -0.181 4.160 4.340 0.001 0.000 0.209 89 L C 2.273 179.221 176.870 0.130 0.000 1.083 89 L CA 0.578 55.537 54.840 0.198 0.000 0.752 89 L CB -0.554 41.622 42.059 0.195 0.000 0.899 89 L HN 0.271 nan 8.230 nan 0.000 0.433 90 L N -0.116 121.194 121.223 0.145 0.000 2.261 90 L HA -0.205 4.136 4.340 0.001 0.000 0.216 90 L C 2.194 179.122 176.870 0.097 0.000 1.114 90 L CA 1.680 56.586 54.840 0.110 0.000 0.777 90 L CB -0.662 41.455 42.059 0.097 0.000 0.910 90 L HN 0.181 nan 8.230 nan 0.000 0.440 91 K N -1.285 119.186 120.400 0.118 0.000 2.404 91 K HA 0.073 4.393 4.320 0.001 0.000 0.194 91 K C 0.077 176.710 176.600 0.056 0.000 1.023 91 K CA -0.016 56.338 56.287 0.112 0.000 1.094 91 K CB 0.178 32.785 32.500 0.177 0.000 0.841 91 K HN 0.145 nan 8.250 nan 0.000 0.523 92 N N 0.833 119.509 118.700 -0.039 0.000 2.430 92 N HA 0.135 4.876 4.740 0.001 0.000 0.290 92 N C -1.646 173.870 175.510 0.010 0.000 1.063 92 N CA -0.343 52.597 53.050 -0.184 0.000 0.883 92 N CB 1.840 39.888 38.487 -0.731 0.000 1.465 92 N HN -0.035 nan 8.380 nan 0.000 0.493 93 T N 0.075 114.758 114.554 0.215 0.000 2.861 93 T HA 0.509 4.859 4.350 0.001 0.000 0.287 93 T C -0.011 174.918 174.700 0.382 0.000 1.003 93 T CA -0.800 61.496 62.100 0.326 0.000 0.977 93 T CB 0.645 69.628 68.868 0.190 0.000 0.996 93 T HN 0.242 nan 8.240 nan 0.000 0.448 94 L N 2.745 124.098 121.223 0.216 0.000 2.499 94 L HA 0.121 4.462 4.340 0.001 0.000 0.273 94 L C 1.086 177.956 176.870 -0.000 0.000 1.195 94 L CA -0.142 54.636 54.840 -0.104 0.000 0.882 94 L CB 0.311 42.231 42.059 -0.231 0.000 1.133 94 L HN 0.812 nan 8.230 nan 0.000 0.483 95 D N 2.297 122.687 120.400 -0.016 0.000 2.347 95 D HA -0.003 4.637 4.640 0.001 0.000 0.215 95 D C 0.422 176.705 176.300 -0.029 0.000 0.976 95 D CA 0.623 54.627 54.000 0.007 0.000 0.884 95 D CB 0.354 41.172 40.800 0.031 0.000 0.915 95 D HN 0.537 nan 8.370 nan 0.000 0.526 96 R N -1.332 119.121 120.500 -0.078 0.000 2.774 96 R HA 0.273 4.613 4.340 0.001 0.000 0.279 96 R C -1.570 174.635 176.300 -0.159 0.000 1.022 96 R CA -0.836 55.202 56.100 -0.103 0.000 0.855 96 R CB 0.437 30.678 30.300 -0.098 0.000 1.279 96 R HN -0.329 nan 8.270 nan 0.000 0.485 97 D N 0.358 120.654 120.400 -0.173 0.000 2.368 97 D HA 0.474 5.114 4.640 0.001 0.000 0.240 97 D C -0.479 175.678 176.300 -0.238 0.000 1.169 97 D CA 0.427 54.295 54.000 -0.219 0.000 0.906 97 D CB 1.238 41.916 40.800 -0.203 0.000 1.187 97 D HN 0.679 nan 8.370 nan 0.000 0.435 98 A N 1.314 123.981 122.820 -0.255 0.000 2.356 98 A HA 0.627 4.948 4.320 0.001 0.000 0.310 98 A C -0.608 176.835 177.584 -0.235 0.000 1.075 98 A CA -0.652 51.235 52.037 -0.250 0.000 0.746 98 A CB 0.698 19.565 19.000 -0.221 0.000 1.221 98 A HN 0.475 nan 8.150 nan 0.000 0.443 99 I N 1.912 122.333 120.570 -0.248 0.000 2.412 99 I HA 0.700 4.870 4.170 0.001 0.000 0.296 99 I C 0.822 176.774 176.117 -0.275 0.000 0.987 99 I CA 0.313 61.468 61.300 -0.242 0.000 1.180 99 I CB 2.098 39.955 38.000 -0.238 0.000 1.340 99 I HN 0.888 nan 8.210 nan 0.000 0.455 100 G N 4.095 112.716 108.800 -0.298 0.000 2.494 100 G HA2 0.428 4.389 3.960 0.001 0.000 0.308 100 G HA3 0.428 4.389 3.960 0.001 0.000 0.308 100 G C -2.145 172.533 174.900 -0.369 0.000 1.263 100 G CA -0.492 44.358 45.100 -0.416 0.000 0.840 100 G HN 0.210 nan 8.290 nan 0.000 0.479 101 Y N 0.504 120.818 120.300 0.023 0.000 2.328 101 Y HA 0.525 5.076 4.550 0.001 0.000 0.337 101 Y C 0.682 176.635 175.900 0.087 0.000 0.966 101 Y CA -1.124 57.001 58.100 0.041 0.000 1.136 101 Y CB 1.729 40.207 38.460 0.029 0.000 1.170 101 Y HN 0.492 nan 8.280 nan 0.000 0.470 102 V N 0.780 120.862 119.914 0.280 0.000 2.607 102 V HA 0.346 4.466 4.120 0.001 0.000 0.289 102 V C 0.424 176.714 176.094 0.327 0.000 1.053 102 V CA -1.041 61.440 62.300 0.300 0.000 0.996 102 V CB 1.511 33.560 31.823 0.376 0.000 0.995 102 V HN 0.859 nan 8.190 nan 0.000 0.476 103 N N 3.011 121.854 118.700 0.239 0.000 3.193 103 N HA 0.127 4.868 4.740 0.001 0.000 0.312 103 N C -0.935 174.635 175.510 0.100 0.000 1.261 103 N CA -0.074 53.073 53.050 0.162 0.000 1.208 103 N CB -0.570 37.983 38.487 0.110 0.000 1.471 103 N HN 0.645 nan 8.380 nan 0.000 0.548 104 F N 0.671 120.660 119.950 0.065 0.000 2.394 104 F HA 0.307 4.835 4.527 0.001 0.000 0.340 104 F C 1.437 177.241 175.800 0.007 0.000 1.105 104 F CA -0.521 57.498 58.000 0.030 0.000 1.124 104 F CB 1.304 40.310 39.000 0.010 0.000 1.145 104 F HN 0.061 nan 8.300 nan 0.000 0.505 105 T N 0.289 114.932 114.554 0.147 0.000 2.912 105 T HA 0.325 4.676 4.350 0.001 0.000 0.280 105 T C -2.078 172.642 174.700 0.033 0.000 0.989 105 T CA -1.996 60.145 62.100 0.069 0.000 0.995 105 T CB 1.549 70.435 68.868 0.030 0.000 1.077 105 T HN 0.232 nan 8.240 nan 0.000 0.531 106 P HA -0.069 nan 4.420 nan 0.000 0.216 106 P C 1.299 178.532 177.300 -0.112 0.000 1.150 106 P CA 1.195 64.232 63.100 -0.105 0.000 0.843 106 P CB 0.074 31.681 31.700 -0.154 0.000 0.787 107 K N -0.326 120.037 120.400 -0.062 0.000 2.148 107 K HA -0.107 4.213 4.320 0.001 0.000 0.204 107 K C 1.817 178.416 176.600 -0.000 0.000 1.050 107 K CA 1.063 57.328 56.287 -0.037 0.000 0.942 107 K CB -0.222 32.269 32.500 -0.016 0.000 0.724 107 K HN 0.273 nan 8.250 nan 0.000 0.446 108 E N 0.483 120.700 120.200 0.029 0.000 2.478 108 E HA -0.080 4.271 4.350 0.001 0.000 0.198 108 E C 0.889 177.515 176.600 0.043 0.000 1.046 108 E CA 0.474 56.934 56.400 0.099 0.000 0.870 108 E CB 0.134 29.909 29.700 0.126 0.000 0.818 108 E HN 0.265 nan 8.360 nan 0.000 0.527 109 L N -0.455 120.641 121.223 -0.211 0.000 2.769 109 L HA 0.281 4.621 4.340 0.001 0.000 0.240 109 L C 1.034 177.618 176.870 -0.477 0.000 1.163 109 L CA -0.116 54.220 54.840 -0.839 0.000 0.962 109 L CB 0.368 42.039 42.059 -0.646 0.000 1.258 109 L HN 0.120 nan 8.230 nan 0.000 0.513 110 G N 1.480 110.234 108.800 -0.077 0.000 2.221 110 G HA2 -0.290 3.671 3.960 0.001 0.000 0.265 110 G HA3 -0.290 3.671 3.960 0.001 0.000 0.265 110 G C 0.045 174.971 174.900 0.043 0.000 1.041 110 G CA 0.068 45.227 45.100 0.097 0.000 0.807 110 G HN 0.360 nan 8.290 nan 0.000 0.502 111 I N -0.296 120.213 120.570 -0.101 0.000 2.321 111 I HA 0.325 4.496 4.170 0.001 0.000 0.291 111 I C 0.860 176.804 176.117 -0.288 0.000 0.998 111 I CA -0.645 60.480 61.300 -0.291 0.000 1.227 111 I CB 1.472 39.178 38.000 -0.490 0.000 1.368 111 I HN 0.139 nan 8.210 nan 0.000 0.466 112 N N 4.314 122.881 118.700 -0.222 0.000 2.210 112 N HA 0.137 4.878 4.740 0.001 0.000 0.203 112 N C -0.178 175.317 175.510 -0.025 0.000 1.175 112 N CA -0.313 52.695 53.050 -0.070 0.000 0.894 112 N CB 0.439 38.962 38.487 0.059 0.000 1.041 112 N HN 0.464 nan 8.380 nan 0.000 0.506 113 F N 0.141 120.100 119.950 0.015 0.000 2.378 113 F HA 0.496 5.024 4.527 0.001 0.000 0.319 113 F C 0.894 176.697 175.800 0.005 0.000 1.155 113 F CA -1.317 56.688 58.000 0.009 0.000 1.157 113 F CB 0.419 39.423 39.000 0.007 0.000 1.252 113 F HN -0.307 nan 8.300 nan 0.000 0.550 114 S N 1.427 117.205 115.700 0.131 0.000 2.510 114 S HA 0.251 4.722 4.470 0.001 0.000 0.279 114 S C 0.988 175.634 174.600 0.076 0.000 1.284 114 S CA -0.576 57.651 58.200 0.045 0.000 1.059 114 S CB -0.158 63.080 63.200 0.064 0.000 0.901 114 S HN 0.671 nan 8.310 nan 0.000 0.491 115 I N 4.196 124.752 120.570 -0.024 0.000 2.296 115 I HA 0.036 4.207 4.170 0.001 0.000 0.242 115 I C 1.296 177.429 176.117 0.025 0.000 1.087 115 I CA 0.707 62.016 61.300 0.014 0.000 1.393 115 I CB -0.016 37.953 38.000 -0.052 0.000 1.093 115 I HN 0.490 nan 8.210 nan 0.000 0.421 116 R N 2.063 122.551 120.500 -0.019 0.000 2.560 116 R HA 0.094 4.435 4.340 0.001 0.000 0.270 116 R C -0.287 176.011 176.300 -0.004 0.000 1.074 116 R CA -0.669 55.415 56.100 -0.027 0.000 1.140 116 R CB 0.217 30.475 30.300 -0.071 0.000 1.073 116 R HN 0.202 nan 8.270 nan 0.000 0.527 117 D N 1.412 121.810 120.400 -0.004 0.000 2.571 117 D HA -0.099 4.542 4.640 0.001 0.000 0.231 117 D C 0.782 177.081 176.300 -0.002 0.000 1.133 117 D CA 0.098 54.100 54.000 0.003 0.000 0.862 117 D CB 0.837 41.636 40.800 -0.001 0.000 1.179 117 D HN 0.133 nan 8.370 nan 0.000 0.474 118 V N 2.982 122.900 119.914 0.007 0.000 2.343 118 V HA -0.289 3.832 4.120 0.001 0.000 0.247 118 V C 2.472 178.565 176.094 -0.001 0.000 1.051 118 V CA 2.453 64.756 62.300 0.005 0.000 1.036 118 V CB -0.815 31.016 31.823 0.013 0.000 0.654 118 V HN 0.767 nan 8.190 nan 0.000 0.451 119 E N 0.413 120.612 120.200 -0.001 0.000 2.008 119 E HA -0.157 4.194 4.350 0.001 0.000 0.191 119 E C 2.188 178.784 176.600 -0.007 0.000 0.986 119 E CA 1.269 57.667 56.400 -0.002 0.000 0.807 119 E CB -0.559 29.141 29.700 -0.000 0.000 0.766 119 E HN 0.465 nan 8.360 nan 0.000 0.450 120 L N 0.745 121.963 121.223 -0.009 0.000 2.201 120 L HA -0.071 4.270 4.340 0.001 0.000 0.212 120 L C 0.582 177.438 176.870 -0.024 0.000 1.105 120 L CA 0.926 55.757 54.840 -0.014 0.000 0.775 120 L CB -0.726 41.325 42.059 -0.013 0.000 0.913 120 L HN 0.273 nan 8.230 nan 0.000 0.440 121 D N -0.375 120.008 120.400 -0.028 0.000 2.708 121 D HA -0.246 4.395 4.640 0.001 0.000 0.236 121 D C 1.233 177.491 176.300 -0.071 0.000 1.146 121 D CA 0.749 54.721 54.000 -0.046 0.000 0.662 121 D CB -0.305 40.469 40.800 -0.043 0.000 1.059 121 D HN 0.308 nan 8.370 nan 0.000 0.428 122 R N -0.659 119.804 120.500 -0.062 0.000 2.428 122 R HA 0.098 4.439 4.340 0.001 0.000 0.193 122 R C -0.428 175.828 176.300 -0.072 0.000 0.852 122 R CA 0.038 56.095 56.100 -0.072 0.000 1.055 122 R CB 0.569 30.844 30.300 -0.041 0.000 1.343 122 R HN 0.072 nan 8.270 nan 0.000 0.655 123 D N 0.529 120.902 120.400 -0.045 0.000 2.217 123 D HA 0.340 4.981 4.640 0.001 0.000 0.248 123 D C -0.495 175.792 176.300 -0.022 0.000 1.008 123 D CA -0.205 53.777 54.000 -0.029 0.000 0.914 123 D CB 2.284 43.077 40.800 -0.013 0.000 1.182 123 D HN 0.130 nan 8.370 nan 0.000 0.451 124 I N 1.183 121.748 120.570 -0.009 0.000 2.418 124 I HA 0.120 4.291 4.170 0.001 0.000 0.287 124 I C 0.462 176.590 176.117 0.019 0.000 1.008 124 I CA -0.669 60.636 61.300 0.008 0.000 1.104 124 I CB 1.596 39.603 38.000 0.012 0.000 1.264 124 I HN 0.268 nan 8.210 nan 0.000 0.438 125 S N 2.847 118.562 115.700 0.024 0.000 2.617 125 S HA 0.204 4.675 4.470 0.001 0.000 0.269 125 S C 0.589 175.203 174.600 0.023 0.000 1.292 125 S CA -0.645 57.566 58.200 0.019 0.000 1.010 125 S CB 1.526 64.735 63.200 0.015 0.000 0.944 125 S HN 0.537 nan 8.310 nan 0.000 0.536 126 D N 0.946 121.356 120.400 0.016 0.000 2.123 126 D HA -0.150 4.491 4.640 0.001 0.000 0.196 126 D C 1.722 178.029 176.300 0.011 0.000 0.992 126 D CA 1.716 55.724 54.000 0.014 0.000 0.833 126 D CB -0.402 40.403 40.800 0.008 0.000 0.954 126 D HN 0.887 nan 8.370 nan 0.000 0.455 127 E N -0.053 120.148 120.200 0.002 0.000 2.118 127 E HA -0.164 4.187 4.350 0.001 0.000 0.195 127 E C 1.608 178.199 176.600 -0.014 0.000 0.992 127 E CA 1.416 57.807 56.400 -0.014 0.000 0.804 127 E CB 0.123 29.808 29.700 -0.024 0.000 0.741 127 E HN 0.148 nan 8.360 nan 0.000 0.458 128 T N 1.311 115.875 114.554 0.017 0.000 2.821 128 T HA -0.141 4.210 4.350 0.001 0.000 0.267 128 T C 1.737 176.500 174.700 0.106 0.000 1.046 128 T CA 0.972 63.115 62.100 0.072 0.000 1.139 128 T CB -0.210 68.728 68.868 0.116 0.000 0.871 128 T HN 0.118 nan 8.240 nan 0.000 0.454 129 L N 1.770 123.035 121.223 0.070 0.000 2.017 129 L HA -0.058 4.283 4.340 0.001 0.000 0.208 129 L C 2.106 179.011 176.870 0.059 0.000 1.073 129 L CA 2.007 56.888 54.840 0.069 0.000 0.745 129 L CB -0.836 41.251 42.059 0.047 0.000 0.894 129 L HN 0.191 nan 8.230 nan 0.000 0.432 130 D N -0.754 119.665 120.400 0.032 0.000 2.116 130 D HA -0.257 4.383 4.640 0.001 0.000 0.193 130 D C 2.134 178.445 176.300 0.019 0.000 0.998 130 D CA 1.661 55.672 54.000 0.018 0.000 0.836 130 D CB -0.026 40.773 40.800 -0.003 0.000 0.951 130 D HN 0.277 nan 8.370 nan 0.000 0.449 131 K N -0.336 120.059 120.400 -0.008 0.000 2.044 131 K HA -0.167 4.153 4.320 0.001 0.000 0.210 131 K C 2.266 178.936 176.600 0.117 0.000 1.049 131 K CA 1.645 57.900 56.287 -0.054 0.000 0.927 131 K CB -0.402 31.918 32.500 -0.301 0.000 0.713 131 K HN 0.313 nan 8.250 nan 0.000 0.443 132 V N -0.643 119.406 119.914 0.225 0.000 2.719 132 V HA -0.108 4.012 4.120 0.001 0.000 0.252 132 V C 2.007 178.190 176.094 0.149 0.000 1.065 132 V CA 0.996 63.458 62.300 0.271 0.000 1.086 132 V CB -0.341 31.619 31.823 0.228 0.000 0.700 132 V HN 0.192 nan 8.190 nan 0.000 0.467 133 R N -0.110 120.451 120.500 0.102 0.000 2.080 133 R HA -0.215 4.126 4.340 0.001 0.000 0.236 133 R C 2.538 178.882 176.300 0.073 0.000 1.137 133 R CA 2.348 58.490 56.100 0.072 0.000 0.943 133 R CB -0.532 29.797 30.300 0.048 0.000 0.846 133 R HN 0.598 nan 8.270 nan 0.000 0.431 134 Q N 0.701 120.541 119.800 0.066 0.000 2.096 134 Q HA -0.259 4.082 4.340 0.001 0.000 0.204 134 Q C 2.041 178.095 176.000 0.091 0.000 0.982 134 Q CA 1.987 57.825 55.803 0.059 0.000 0.850 134 Q CB -0.076 28.684 28.738 0.037 0.000 0.901 134 Q HN 0.228 nan 8.270 nan 0.000 0.422 135 Q N -0.173 119.709 119.800 0.138 0.000 1.975 135 Q HA -0.143 4.198 4.340 0.001 0.000 0.205 135 Q C 1.933 178.061 176.000 0.214 0.000 0.990 135 Q CA 2.453 58.375 55.803 0.198 0.000 0.845 135 Q CB -0.215 28.681 28.738 0.263 0.000 0.913 135 Q HN 0.697 nan 8.270 nan 0.000 0.420 136 I N -2.526 118.160 120.570 0.193 0.000 3.462 136 I HA 0.208 4.379 4.170 0.001 0.000 0.290 136 I C -0.063 176.158 176.117 0.172 0.000 1.236 136 I CA -0.417 61.038 61.300 0.258 0.000 1.418 136 I CB 0.253 38.346 38.000 0.155 0.000 1.102 136 I HN -0.048 nan 8.210 nan 0.000 0.441 137 I N 4.412 125.037 120.570 0.092 0.000 2.598 137 I HA 0.019 4.190 4.170 0.001 0.000 0.284 137 I C 0.557 176.683 176.117 0.014 0.000 1.140 137 I CA 0.607 61.934 61.300 0.046 0.000 1.420 137 I CB -0.605 37.413 38.000 0.030 0.000 1.387 137 I HN 0.497 nan 8.210 nan 0.000 0.553 138 N N 2.425 121.121 118.700 -0.007 0.000 2.900 138 N HA -0.221 4.520 4.740 0.001 0.000 0.240 138 N C 0.417 175.858 175.510 -0.115 0.000 0.953 138 N CA 0.953 53.973 53.050 -0.049 0.000 0.950 138 N CB -0.820 37.640 38.487 -0.045 0.000 1.102 138 N HN 0.726 nan 8.380 nan 0.000 0.593 139 Q N 1.384 121.102 119.800 -0.137 0.000 2.317 139 Q HA 0.469 4.810 4.340 0.001 0.000 0.229 139 Q C -0.323 175.421 176.000 -0.426 0.000 0.984 139 Q CA 0.044 55.620 55.803 -0.378 0.000 0.911 139 Q CB 0.818 29.297 28.738 -0.431 0.000 1.217 139 Q HN 0.284 nan 8.270 nan 0.000 0.501 140 E N 1.929 121.755 120.200 -0.622 0.000 2.216 140 E HA 0.287 4.638 4.350 0.001 0.000 0.260 140 E C -1.571 174.822 176.600 -0.345 0.000 0.880 140 E CA -0.557 55.638 56.400 -0.342 0.000 0.765 140 E CB 0.620 30.212 29.700 -0.180 0.000 1.174 140 E HN 0.604 nan 8.360 nan 0.000 0.417 141 Y N 2.079 122.441 120.300 0.103 0.000 2.328 141 Y HA 0.287 4.838 4.550 0.001 0.000 0.337 141 Y C 0.222 176.272 175.900 0.250 0.000 0.966 141 Y CA -0.728 57.499 58.100 0.212 0.000 1.136 141 Y CB 2.175 40.743 38.460 0.180 0.000 1.170 141 Y HN 0.305 nan 8.280 nan 0.000 0.470 142 T N 3.903 118.602 114.554 0.241 0.000 2.771 142 T HA 0.175 4.526 4.350 0.001 0.000 0.291 142 T C -0.122 174.473 174.700 -0.174 0.000 0.954 142 T CA -0.794 61.341 62.100 0.057 0.000 1.045 142 T CB 0.336 69.175 68.868 -0.049 0.000 0.917 142 T HN 0.311 nan 8.240 nan 0.000 0.484 143 K N 3.405 123.787 120.400 -0.030 0.000 2.292 143 K HA 0.263 4.584 4.320 0.001 0.000 0.290 143 K C 0.174 176.655 176.600 -0.199 0.000 1.083 143 K CA -0.338 55.783 56.287 -0.277 0.000 0.918 143 K CB -0.278 32.046 32.500 -0.293 0.000 1.089 143 K HN 0.382 nan 8.250 nan 0.000 0.473 144 F N 0.820 120.768 119.950 -0.004 0.000 2.186 144 F HA -0.107 4.421 4.527 0.001 0.000 0.299 144 F C 1.533 177.196 175.800 -0.228 0.000 1.090 144 F CA 0.569 58.525 58.000 -0.073 0.000 1.307 144 F CB -0.680 38.338 39.000 0.030 0.000 1.019 144 F HN 0.510 nan 8.300 nan 0.000 0.489 145 S N -0.310 115.382 115.700 -0.015 0.000 2.661 145 S HA 0.345 4.816 4.470 0.001 0.000 0.265 145 S C 0.002 174.494 174.600 -0.179 0.000 1.225 145 S CA -0.930 57.187 58.200 -0.139 0.000 0.986 145 S CB 0.048 63.247 63.200 -0.000 0.000 1.008 145 S HN 0.008 nan 8.310 nan 0.000 0.565 146 F N 0.189 120.163 119.950 0.039 0.000 2.628 146 F HA 0.272 4.800 4.527 0.001 0.000 0.346 146 F C 0.713 176.566 175.800 0.089 0.000 1.188 146 F CA 0.025 58.074 58.000 0.081 0.000 1.376 146 F CB 0.190 39.255 39.000 0.108 0.000 1.104 146 F HN 0.447 nan 8.300 nan 0.000 0.616 147 I N 0.393 121.173 120.570 0.350 0.000 2.646 147 I HA 0.342 4.512 4.170 0.001 0.000 0.299 147 I C -0.792 175.483 176.117 0.263 0.000 1.036 147 I CA -0.248 61.206 61.300 0.256 0.000 1.074 147 I CB 1.519 39.702 38.000 0.304 0.000 1.258 147 I HN 0.425 nan 8.210 nan 0.000 0.430 148 S N 6.606 122.429 115.700 0.206 0.000 2.475 148 S HA 0.543 5.013 4.470 0.001 0.000 0.298 148 S C -0.786 173.925 174.600 0.186 0.000 1.119 148 S CA -0.458 57.858 58.200 0.193 0.000 1.085 148 S CB 1.502 64.805 63.200 0.171 0.000 1.028 148 S HN 0.452 nan 8.310 nan 0.000 0.489 149 L N 3.834 125.158 121.223 0.168 0.000 2.301 149 L HA 0.593 4.934 4.340 0.001 0.000 0.278 149 L C 0.447 177.393 176.870 0.128 0.000 1.022 149 L CA -0.087 54.833 54.840 0.133 0.000 0.854 149 L CB 0.413 42.522 42.059 0.084 0.000 1.226 149 L HN 0.718 nan 8.230 nan 0.000 0.429 150 G N 4.722 113.615 108.800 0.155 0.000 2.343 150 G HA2 0.279 4.240 3.960 0.001 0.000 0.254 150 G HA3 0.279 4.240 3.960 0.001 0.000 0.254 150 G C 0.637 175.579 174.900 0.071 0.000 1.277 150 G CA -0.387 44.811 45.100 0.163 0.000 0.909 150 G HN 0.761 nan 8.290 nan 0.000 0.502 151 L N 1.680 122.942 121.223 0.065 0.000 2.416 151 L HA 0.171 4.512 4.340 0.001 0.000 0.216 151 L C 1.077 177.958 176.870 0.018 0.000 1.098 151 L CA 0.235 55.088 54.840 0.021 0.000 0.840 151 L CB -0.300 41.815 42.059 0.094 0.000 0.981 151 L HN 0.732 nan 8.230 nan 0.000 0.462 152 N N -3.195 115.548 118.700 0.071 0.000 3.278 152 N HA 0.092 4.832 4.740 0.001 0.000 0.307 152 N C -0.134 175.520 175.510 0.240 0.000 1.551 152 N CA -0.640 52.478 53.050 0.112 0.000 0.794 152 N CB 0.196 38.731 38.487 0.080 0.000 1.770 152 N HN -0.322 nan 8.380 nan 0.000 0.612 153 D N -0.784 119.738 120.400 0.203 0.000 2.348 153 D HA 0.011 4.652 4.640 0.001 0.000 0.216 153 D C 0.609 176.948 176.300 0.064 0.000 0.970 153 D CA 0.637 54.726 54.000 0.148 0.000 0.889 153 D CB -0.272 40.571 40.800 0.071 0.000 0.912 153 D HN 0.416 nan 8.370 nan 0.000 0.524 154 N N -0.189 118.552 118.700 0.070 0.000 2.289 154 N HA -0.079 4.662 4.740 0.001 0.000 0.184 154 N C 1.482 177.028 175.510 0.061 0.000 1.016 154 N CA 0.536 53.617 53.050 0.050 0.000 0.872 154 N CB -0.217 38.294 38.487 0.041 0.000 0.973 154 N HN -0.019 nan 8.380 nan 0.000 0.433 155 S N 0.442 116.201 115.700 0.099 0.000 2.474 155 S HA 0.065 4.535 4.470 0.001 0.000 0.235 155 S C 0.808 175.448 174.600 0.067 0.000 0.997 155 S CA 0.101 58.368 58.200 0.112 0.000 0.949 155 S CB -0.098 63.213 63.200 0.185 0.000 0.766 155 S HN 0.277 nan 8.310 nan 0.000 0.517 156 I N 3.413 123.980 120.570 -0.006 0.000 2.578 156 I HA 0.003 4.173 4.170 0.001 0.000 0.286 156 I C 0.445 176.565 176.117 0.006 0.000 1.126 156 I CA -0.249 60.995 61.300 -0.093 0.000 1.380 156 I CB 0.068 37.901 38.000 -0.277 0.000 1.408 156 I HN 0.047 nan 8.210 nan 0.000 0.532 157 N N 6.847 125.574 118.700 0.046 0.000 2.401 157 N HA 0.009 4.750 4.740 0.001 0.000 0.255 157 N C 0.953 176.549 175.510 0.143 0.000 1.110 157 N CA 0.203 53.301 53.050 0.080 0.000 0.949 157 N CB 0.805 39.334 38.487 0.070 0.000 1.110 157 N HN 0.509 nan 8.380 nan 0.000 0.490 158 E N 1.337 121.623 120.200 0.145 0.000 2.171 158 E HA -0.163 4.187 4.350 0.001 0.000 0.197 158 E C 0.866 177.490 176.600 0.040 0.000 0.997 158 E CA 1.342 57.844 56.400 0.170 0.000 0.810 158 E CB 0.181 29.944 29.700 0.104 0.000 0.738 158 E HN 0.727 nan 8.360 nan 0.000 0.467 159 S N -0.341 115.379 115.700 0.032 0.000 2.593 159 S HA 0.065 4.536 4.470 0.001 0.000 0.217 159 S C 0.689 175.282 174.600 -0.010 0.000 0.966 159 S CA -0.253 57.942 58.200 -0.009 0.000 0.914 159 S CB 0.368 63.570 63.200 0.003 0.000 0.776 159 S HN -0.117 nan 8.310 nan 0.000 0.523 160 V N 4.285 124.218 119.914 0.030 0.000 2.350 160 V HA 0.349 4.470 4.120 0.001 0.000 0.276 160 V C -1.931 174.190 176.094 0.045 0.000 1.028 160 V CA -1.698 60.623 62.300 0.036 0.000 0.860 160 V CB 1.249 33.112 31.823 0.068 0.000 0.990 160 V HN 0.170 nan 8.190 nan 0.000 0.453 161 P HA 0.173 nan 4.420 nan 0.000 0.253 161 P C -0.218 177.113 177.300 0.051 0.000 1.459 161 P CA 0.179 63.221 63.100 -0.096 0.000 0.908 161 P CB 0.564 32.188 31.700 -0.127 0.000 1.470 162 V N 0.873 120.859 119.914 0.119 0.000 2.686 162 V HA 0.391 4.511 4.120 0.001 0.000 0.306 162 V C -0.350 175.798 176.094 0.090 0.000 1.065 162 V CA -0.756 61.599 62.300 0.092 0.000 0.894 162 V CB 2.749 34.587 31.823 0.025 0.000 1.004 162 V HN -0.137 nan 8.190 nan 0.000 0.424 163 I N 5.186 125.773 120.570 0.030 0.000 2.382 163 I HA 0.462 4.633 4.170 0.001 0.000 0.286 163 I C -0.650 175.467 176.117 0.000 0.000 1.002 163 I CA -0.719 60.532 61.300 -0.083 0.000 1.135 163 I CB 1.996 39.821 38.000 -0.292 0.000 1.288 163 I HN 0.251 nan 8.210 nan 0.000 0.448 164 V N 6.812 126.768 119.914 0.071 0.000 2.311 164 V HA 0.308 4.429 4.120 0.001 0.000 0.275 164 V C 0.067 176.277 176.094 0.192 0.000 1.022 164 V CA -0.701 61.657 62.300 0.097 0.000 0.830 164 V CB 1.064 32.925 31.823 0.062 0.000 1.012 164 V HN 0.600 nan 8.190 nan 0.000 0.452 165 K N 3.169 123.666 120.400 0.162 0.000 2.213 165 K HA 0.685 5.005 4.320 0.001 0.000 0.270 165 K C -0.403 176.214 176.600 0.028 0.000 1.002 165 K CA -0.113 56.269 56.287 0.158 0.000 0.868 165 K CB 1.649 34.257 32.500 0.180 0.000 1.093 165 K HN 0.736 nan 8.250 nan 0.000 0.454 166 T N 2.089 116.630 114.554 -0.022 0.000 2.681 166 T HA 0.399 4.750 4.350 0.001 0.000 0.296 166 T C -1.697 172.935 174.700 -0.114 0.000 1.157 166 T CA -0.814 61.251 62.100 -0.059 0.000 1.025 166 T CB 1.204 70.050 68.868 -0.036 0.000 1.441 166 T HN 0.649 nan 8.240 nan 0.000 0.504 167 R N 1.708 122.125 120.500 -0.138 0.000 2.480 167 R HA 0.669 5.010 4.340 0.001 0.000 0.306 167 R C -1.530 174.614 176.300 -0.259 0.000 0.958 167 R CA -0.509 55.478 56.100 -0.189 0.000 0.861 167 R CB 1.336 31.530 30.300 -0.176 0.000 1.171 167 R HN 0.461 nan 8.270 nan 0.000 0.445 168 V N 6.977 126.707 119.914 -0.306 0.000 2.406 168 V HA 0.311 4.432 4.120 0.001 0.000 0.272 168 V C -2.058 173.696 176.094 -0.568 0.000 1.043 168 V CA -1.869 60.143 62.300 -0.479 0.000 0.915 168 V CB 1.232 32.844 31.823 -0.351 0.000 0.988 168 V HN 0.758 nan 8.190 nan 0.000 0.466 169 P HA 0.186 nan 4.420 nan 0.000 0.276 169 P C 0.114 177.136 177.300 -0.464 0.000 1.244 169 P CA -0.220 62.520 63.100 -0.599 0.000 0.801 169 P CB 0.478 31.831 31.700 -0.578 0.000 1.006 170 T N 0.522 114.952 114.554 -0.207 0.000 2.906 170 T HA 0.217 4.568 4.350 0.001 0.000 0.320 170 T C 0.875 175.625 174.700 0.083 0.000 1.088 170 T CA 1.740 63.797 62.100 -0.072 0.000 1.120 170 T CB -0.882 67.952 68.868 -0.055 0.000 1.000 170 T HN 0.904 nan 8.240 nan 0.000 0.550 171 T N 0.325 114.959 114.554 0.135 0.000 5.983 171 T HA -0.181 4.170 4.350 0.001 0.000 0.274 171 T C 0.040 174.931 174.700 0.319 0.000 2.195 171 T CA 0.525 62.749 62.100 0.207 0.000 3.709 171 T CB -2.599 66.377 68.868 0.180 0.000 0.873 171 T HN 0.482 nan 8.240 nan 0.000 1.045 172 F N 3.638 123.616 119.950 0.046 0.000 2.484 172 F HA 0.486 5.014 4.527 0.001 0.000 0.360 172 F C 0.984 176.884 175.800 0.168 0.000 1.101 172 F CA -1.052 57.005 58.000 0.094 0.000 1.251 172 F CB 0.415 39.418 39.000 0.004 0.000 1.132 172 F HN 0.158 nan 8.300 nan 0.000 0.570 173 D N 3.022 123.604 120.400 0.302 0.000 2.455 173 D HA 0.130 4.771 4.640 0.001 0.000 0.241 173 D C -0.468 176.044 176.300 0.354 0.000 1.138 173 D CA 0.752 54.919 54.000 0.277 0.000 0.877 173 D CB 0.620 41.533 40.800 0.187 0.000 1.187 173 D HN 0.470 nan 8.370 nan 0.000 0.451 174 Y N -1.359 118.935 120.300 -0.010 0.000 2.670 174 Y HA 0.671 5.222 4.550 0.001 0.000 0.334 174 Y C -0.684 174.921 175.900 -0.492 0.000 1.185 174 Y CA -1.316 56.714 58.100 -0.117 0.000 1.053 174 Y CB 1.169 39.599 38.460 -0.049 0.000 1.298 174 Y HN 0.390 nan 8.280 nan 0.000 0.459 175 G N 0.201 108.506 108.800 -0.825 0.000 2.672 175 G HA2 0.610 4.571 3.960 0.001 0.000 0.292 175 G HA3 0.610 4.571 3.960 0.001 0.000 0.292 175 G C -2.325 172.182 174.900 -0.656 0.000 1.375 175 G CA -1.134 42.850 45.100 -1.860 0.000 0.890 175 G HN 0.712 nan 8.290 nan 0.000 0.476 176 V N 0.721 120.407 119.914 -0.380 0.000 2.540 176 V HA 0.541 4.662 4.120 0.001 0.000 0.302 176 V C -0.401 175.830 176.094 0.228 0.000 1.035 176 V CA -0.559 61.782 62.300 0.068 0.000 0.873 176 V CB 1.485 33.320 31.823 0.020 0.000 0.992 176 V HN 0.576 nan 8.190 nan 0.000 0.428 177 L N 4.013 125.363 121.223 0.212 0.000 2.325 177 L HA 0.546 4.887 4.340 0.001 0.000 0.281 177 L C -0.300 176.629 176.870 0.100 0.000 1.004 177 L CA -0.456 54.495 54.840 0.184 0.000 0.823 177 L CB 1.776 43.979 42.059 0.240 0.000 1.236 177 L HN 0.568 nan 8.230 nan 0.000 0.415 178 N N 1.915 120.629 118.700 0.023 0.000 2.699 178 N HA 0.155 4.896 4.740 0.001 0.000 0.232 178 N C -1.268 174.250 175.510 0.013 0.000 1.027 178 N CA -0.284 52.767 53.050 0.002 0.000 0.920 178 N CB 0.560 39.010 38.487 -0.061 0.000 1.148 178 N HN 0.403 nan 8.380 nan 0.000 0.509 179 D N 2.258 122.681 120.400 0.039 0.000 2.462 179 D HA 0.155 4.795 4.640 0.001 0.000 0.249 179 D C -0.785 175.535 176.300 0.034 0.000 1.117 179 D CA -0.536 53.489 54.000 0.043 0.000 0.900 179 D CB 0.324 41.164 40.800 0.067 0.000 1.039 179 D HN 0.265 nan 8.370 nan 0.000 0.516 180 K N 3.417 123.830 120.400 0.021 0.000 5.269 180 K HA -0.284 4.036 4.320 0.001 0.000 0.389 180 K C 0.237 176.850 176.600 0.021 0.000 0.851 180 K CA 1.070 57.368 56.287 0.018 0.000 1.052 180 K CB -0.562 31.950 32.500 0.020 0.000 1.961 180 K HN 0.511 nan 8.250 nan 0.000 0.344 181 E N -0.248 119.961 120.200 0.015 0.000 4.562 181 E HA -0.189 4.162 4.350 0.001 0.000 0.293 181 E C -0.221 176.392 176.600 0.022 0.000 0.724 181 E CA 2.136 58.546 56.400 0.016 0.000 1.636 181 E CB -1.410 28.303 29.700 0.021 0.000 1.797 181 E HN 0.698 nan 8.360 nan 0.000 0.420 182 T N 1.166 115.740 114.554 0.033 0.000 2.794 182 T HA 0.624 4.975 4.350 0.001 0.000 0.280 182 T C -0.305 174.427 174.700 0.052 0.000 0.987 182 T CA -0.346 61.783 62.100 0.050 0.000 0.993 182 T CB 1.845 70.752 68.868 0.066 0.000 0.939 182 T HN -0.065 nan 8.240 nan 0.000 0.449 183 V N 3.971 123.920 119.914 0.058 0.000 2.531 183 V HA 0.759 4.880 4.120 0.001 0.000 0.301 183 V C -0.185 175.984 176.094 0.125 0.000 1.034 183 V CA -0.752 61.599 62.300 0.085 0.000 0.865 183 V CB 1.721 33.578 31.823 0.057 0.000 0.995 183 V HN 1.051 nan 8.190 nan 0.000 0.424 184 S N 4.990 120.787 115.700 0.162 0.000 2.618 184 S HA 0.808 5.279 4.470 0.001 0.000 0.277 184 S C -1.151 173.576 174.600 0.211 0.000 1.138 184 S CA -0.949 57.356 58.200 0.175 0.000 0.844 184 S CB 1.825 65.121 63.200 0.159 0.000 1.127 184 S HN 0.448 nan 8.310 nan 0.000 0.474 185 L N 1.415 122.758 121.223 0.201 0.000 2.343 185 L HA 0.592 4.933 4.340 0.001 0.000 0.275 185 L C -0.931 176.053 176.870 0.191 0.000 1.056 185 L CA -1.035 53.933 54.840 0.213 0.000 0.804 185 L CB 1.413 43.596 42.059 0.208 0.000 1.203 185 L HN 0.631 nan 8.230 nan 0.000 0.440 186 L N 3.706 125.027 121.223 0.162 0.000 2.296 186 L HA 0.600 4.940 4.340 0.001 0.000 0.286 186 L C -0.706 176.291 176.870 0.212 0.000 1.023 186 L CA 0.056 55.006 54.840 0.183 0.000 0.812 186 L CB 1.309 43.473 42.059 0.174 0.000 1.223 186 L HN 0.397 nan 8.230 nan 0.000 0.421 187 L N 3.297 124.711 121.223 0.318 0.000 2.279 187 L HA 0.588 4.929 4.340 0.001 0.000 0.262 187 L C 0.115 177.306 176.870 0.534 0.000 1.019 187 L CA -1.230 53.873 54.840 0.438 0.000 0.823 187 L CB 1.267 43.628 42.059 0.503 0.000 1.358 187 L HN 0.519 nan 8.230 nan 0.000 0.432 188 N N 0.702 119.729 118.700 0.546 0.000 2.344 188 N HA 0.020 4.760 4.740 0.001 0.000 0.236 188 N C -0.365 175.150 175.510 0.008 0.000 1.279 188 N CA 0.081 53.307 53.050 0.294 0.000 0.882 188 N CB 0.308 38.822 38.487 0.046 0.000 1.110 188 N HN 0.520 nan 8.380 nan 0.000 0.436 189 Q N -0.382 119.270 119.800 -0.248 0.000 2.454 189 Q HA 0.268 4.609 4.340 0.001 0.000 0.247 189 Q C 0.880 176.612 176.000 -0.447 0.000 1.028 189 Q CA 0.516 56.074 55.803 -0.408 0.000 0.910 189 Q CB 0.334 28.734 28.738 -0.563 0.000 1.276 189 Q HN 0.870 nan 8.270 nan 0.000 0.489 190 G N 0.763 109.397 108.800 -0.277 0.000 2.143 190 G HA2 -0.252 3.709 3.960 0.001 0.000 0.249 190 G HA3 -0.252 3.709 3.960 0.001 0.000 0.249 190 G C -0.420 174.397 174.900 -0.139 0.000 0.981 190 G CA -0.289 44.724 45.100 -0.145 0.000 0.665 190 G HN 0.393 nan 8.290 nan 0.000 0.528 191 F N 1.655 121.688 119.950 0.138 0.000 2.380 191 F HA 0.664 5.192 4.527 0.001 0.000 0.325 191 F C 1.114 177.045 175.800 0.219 0.000 1.136 191 F CA -0.419 57.694 58.000 0.188 0.000 1.171 191 F CB 1.499 40.644 39.000 0.241 0.000 1.230 191 F HN 0.325 nan 8.300 nan 0.000 0.554 192 S N 1.230 117.199 115.700 0.448 0.000 2.638 192 S HA 0.802 5.273 4.470 0.001 0.000 0.302 192 S C -1.240 173.523 174.600 0.271 0.000 1.096 192 S CA -0.732 57.679 58.200 0.351 0.000 0.953 192 S CB 2.062 65.395 63.200 0.222 0.000 1.107 192 S HN 0.468 nan 8.310 nan 0.000 0.503 193 I N 0.870 121.528 120.570 0.148 0.000 2.465 193 I HA 0.550 4.721 4.170 0.001 0.000 0.291 193 I C -1.300 174.809 176.117 -0.014 0.000 1.014 193 I CA -1.404 59.866 61.300 -0.051 0.000 1.093 193 I CB 1.407 39.124 38.000 -0.472 0.000 1.267 193 I HN 0.764 nan 8.210 nan 0.000 0.431 194 I N 9.488 130.048 120.570 -0.017 0.000 2.388 194 I HA 0.344 4.515 4.170 0.001 0.000 0.281 194 I C -2.324 173.786 176.117 -0.012 0.000 1.046 194 I CA -1.829 59.464 61.300 -0.013 0.000 1.187 194 I CB 1.000 38.986 38.000 -0.024 0.000 1.351 194 I HN 0.335 nan 8.210 nan 0.000 0.472 195 P HA 0.123 nan 4.420 nan 0.000 0.271 195 P C -0.060 177.244 177.300 0.005 0.000 1.226 195 P CA 0.200 63.304 63.100 0.006 0.000 0.765 195 P CB 0.854 32.579 31.700 0.041 0.000 0.835 196 E N 0.603 120.800 120.200 -0.005 0.000 2.399 196 E HA 0.083 4.434 4.350 0.001 0.000 0.205 196 E C 0.189 176.788 176.600 -0.001 0.000 0.906 196 E CA 0.201 56.598 56.400 -0.006 0.000 0.998 196 E CB 0.483 30.174 29.700 -0.014 0.000 1.002 196 E HN 0.497 nan 8.360 nan 0.000 0.501 197 S N -0.158 115.543 115.700 0.002 0.000 2.550 197 S HA 0.790 5.261 4.470 0.001 0.000 0.270 197 S C -1.254 173.353 174.600 0.012 0.000 1.145 197 S CA -0.740 57.464 58.200 0.007 0.000 0.852 197 S CB 2.192 65.394 63.200 0.003 0.000 1.119 197 S HN 0.058 nan 8.310 nan 0.000 0.465 198 A N 2.245 125.076 122.820 0.018 0.000 2.408 198 A HA 0.833 5.153 4.320 0.001 0.000 0.295 198 A C -0.587 177.012 177.584 0.026 0.000 1.040 198 A CA -0.839 51.212 52.037 0.024 0.000 0.707 198 A CB 0.693 19.711 19.000 0.031 0.000 1.235 198 A HN 1.714 nan 8.150 nan 0.000 0.418 199 I N -0.742 119.845 120.570 0.028 0.000 2.994 199 I HA 0.666 4.836 4.170 0.001 0.000 0.306 199 I C -0.913 175.227 176.117 0.038 0.000 1.195 199 I CA -1.212 60.106 61.300 0.029 0.000 1.001 199 I CB 1.945 39.958 38.000 0.022 0.000 1.244 199 I HN 0.482 nan 8.210 nan 0.000 0.437 200 I N 2.343 122.937 120.570 0.040 0.000 2.496 200 I HA 0.262 4.433 4.170 0.001 0.000 0.285 200 I C 0.244 176.393 176.117 0.053 0.000 1.080 200 I CA 0.393 61.724 61.300 0.051 0.000 1.404 200 I CB 1.368 39.394 38.000 0.044 0.000 1.403 200 I HN 0.634 nan 8.210 nan 0.000 0.539 201 T N 4.412 119.012 114.554 0.078 0.000 2.886 201 T HA 0.414 4.765 4.350 0.001 0.000 0.292 201 T C -0.559 174.217 174.700 0.127 0.000 1.012 201 T CA -0.405 61.737 62.100 0.069 0.000 0.982 201 T CB 1.081 69.966 68.868 0.027 0.000 1.018 201 T HN 0.563 nan 8.240 nan 0.000 0.451 202 T N 5.164 119.776 114.554 0.096 0.000 2.795 202 T HA 0.639 4.989 4.350 0.001 0.000 0.282 202 T C -0.451 174.317 174.700 0.113 0.000 0.980 202 T CA -0.568 61.607 62.100 0.124 0.000 1.012 202 T CB 0.513 69.424 68.868 0.071 0.000 0.936 202 T HN 0.648 nan 8.240 nan 0.000 0.457 203 I N 1.699 122.379 120.570 0.184 0.000 2.534 203 I HA 0.435 4.606 4.170 0.001 0.000 0.288 203 I C -0.549 175.648 176.117 0.134 0.000 1.077 203 I CA -0.893 60.473 61.300 0.111 0.000 1.051 203 I CB 1.225 39.225 38.000 -0.001 0.000 1.234 203 I HN 0.652 nan 8.210 nan 0.000 0.425 204 K N 5.515 125.959 120.400 0.074 0.000 3.148 204 K HA -0.200 4.120 4.320 0.001 0.000 0.267 204 K C 0.811 177.444 176.600 0.055 0.000 0.996 204 K CA 0.763 57.085 56.287 0.058 0.000 0.737 204 K CB -1.921 30.614 32.500 0.058 0.000 1.308 204 K HN 1.384 nan 8.250 nan 0.000 0.470 205 G N 0.086 108.916 108.800 0.050 0.000 2.168 205 G HA2 -0.378 3.582 3.960 0.001 0.000 0.263 205 G HA3 -0.378 3.582 3.960 0.001 0.000 0.263 205 G C -0.044 174.872 174.900 0.026 0.000 0.977 205 G CA 0.981 46.101 45.100 0.034 0.000 0.659 205 G HN 0.411 nan 8.290 nan 0.000 0.533 206 K N 0.626 121.053 120.400 0.046 0.000 2.323 206 K HA 0.439 4.760 4.320 0.001 0.000 0.259 206 K C -0.925 175.671 176.600 -0.006 0.000 0.947 206 K CA -0.878 55.399 56.287 -0.016 0.000 0.819 206 K CB 0.874 33.348 32.500 -0.044 0.000 1.109 206 K HN 0.057 nan 8.250 nan 0.000 0.429 207 D N 2.099 122.443 120.400 -0.093 0.000 2.313 207 D HA 0.248 4.888 4.640 0.001 0.000 0.247 207 D C -0.774 175.404 176.300 -0.203 0.000 1.094 207 D CA 0.526 54.506 54.000 -0.034 0.000 0.925 207 D CB 0.530 41.314 40.800 -0.026 0.000 1.188 207 D HN 0.319 nan 8.370 nan 0.000 0.430 208 Y N -0.690 119.599 120.300 -0.018 0.000 2.571 208 Y HA 0.417 4.968 4.550 0.001 0.000 0.341 208 Y C -0.176 175.713 175.900 -0.020 0.000 1.076 208 Y CA -1.117 56.966 58.100 -0.027 0.000 1.029 208 Y CB 1.388 39.819 38.460 -0.050 0.000 1.308 208 Y HN 0.081 nan 8.280 nan 0.000 0.461 209 I N 3.571 124.227 120.570 0.144 0.000 2.325 209 I HA 0.177 4.348 4.170 0.001 0.000 0.291 209 I C -0.872 175.288 176.117 0.072 0.000 1.019 209 I CA -0.458 60.893 61.300 0.085 0.000 1.302 209 I CB 0.913 38.945 38.000 0.054 0.000 1.401 209 I HN 0.282 nan 8.210 nan 0.000 0.485 210 L N 9.204 130.456 121.223 0.049 0.000 2.264 210 L HA 0.549 4.890 4.340 0.001 0.000 0.289 210 L C -0.639 176.245 176.870 0.023 0.000 1.044 210 L CA 0.133 54.986 54.840 0.022 0.000 0.807 210 L CB 0.600 42.666 42.059 0.012 0.000 1.192 210 L HN 0.386 nan 8.230 nan 0.000 0.425 211 I N 4.855 125.436 120.570 0.019 0.000 2.378 211 I HA 0.383 4.554 4.170 0.001 0.000 0.291 211 I C -0.309 175.817 176.117 0.015 0.000 0.992 211 I CA -0.525 60.780 61.300 0.009 0.000 1.154 211 I CB 1.463 39.455 38.000 -0.014 0.000 1.315 211 I HN 0.517 nan 8.210 nan 0.000 0.448 212 E N 5.229 125.433 120.200 0.007 0.000 2.156 212 E HA 0.587 4.938 4.350 0.001 0.000 0.279 212 E C -0.169 176.422 176.600 -0.016 0.000 0.965 212 E CA -0.442 55.958 56.400 0.000 0.000 0.789 212 E CB 2.393 32.090 29.700 -0.004 0.000 1.098 212 E HN 0.815 nan 8.360 nan 0.000 0.397 213 G N 0.856 109.641 108.800 -0.026 0.000 2.605 213 G HA2 0.368 4.329 3.960 0.001 0.000 0.296 213 G HA3 0.368 4.329 3.960 0.001 0.000 0.296 213 G C -0.982 173.893 174.900 -0.042 0.000 1.304 213 G CA -0.483 44.594 45.100 -0.039 0.000 0.941 213 G HN 0.316 nan 8.290 nan 0.000 0.475 214 S N -0.674 115.004 115.700 -0.037 0.000 2.462 214 S HA 0.486 4.956 4.470 0.001 0.000 0.294 214 S C -0.442 174.147 174.600 -0.019 0.000 1.144 214 S CA -0.504 57.675 58.200 -0.036 0.000 1.088 214 S CB 0.963 64.148 63.200 -0.026 0.000 1.009 214 S HN 0.530 nan 8.310 nan 0.000 0.484 215 L N 4.610 125.814 121.223 -0.032 0.000 2.290 215 L HA 0.588 4.929 4.340 0.001 0.000 0.284 215 L C 0.243 177.145 176.870 0.053 0.000 1.078 215 L CA 0.735 55.577 54.840 0.003 0.000 0.815 215 L CB 1.184 43.184 42.059 -0.098 0.000 1.162 215 L HN 0.649 nan 8.230 nan 0.000 0.435 216 S N 3.347 119.133 115.700 0.144 0.000 2.911 216 S HA 0.661 5.132 4.470 0.001 0.000 0.319 216 S C -1.388 173.395 174.600 0.304 0.000 1.154 216 S CA -0.523 57.786 58.200 0.182 0.000 0.857 216 S CB 1.351 64.617 63.200 0.111 0.000 1.279 216 S HN 0.726 nan 8.310 nan 0.000 0.593 217 Q N 0.413 120.356 119.800 0.238 0.000 2.340 217 Q HA 0.381 4.721 4.340 0.001 0.000 0.276 217 Q C -1.838 174.224 176.000 0.104 0.000 1.048 217 Q CA -0.550 55.385 55.803 0.220 0.000 0.832 217 Q CB 1.796 30.682 28.738 0.246 0.000 1.373 217 Q HN 0.685 nan 8.270 nan 0.000 0.409 218 E N 1.761 121.998 120.200 0.061 0.000 2.277 218 E HA 0.233 4.584 4.350 0.001 0.000 0.274 218 E C -0.866 175.667 176.600 -0.112 0.000 1.022 218 E CA -0.811 55.577 56.400 -0.019 0.000 0.853 218 E CB 1.458 31.146 29.700 -0.019 0.000 1.086 218 E HN 0.355 nan 8.360 nan 0.000 0.397 219 L N 3.303 124.423 121.223 -0.172 0.000 2.363 219 L HA 0.196 4.537 4.340 0.001 0.000 0.286 219 L C -0.941 175.576 176.870 -0.588 0.000 1.106 219 L CA 0.535 55.168 54.840 -0.345 0.000 0.859 219 L CB -0.195 41.732 42.059 -0.219 0.000 1.223 219 L HN 0.376 nan 8.230 nan 0.000 0.446 220 D N 3.587 123.528 120.400 -0.765 0.000 2.990 220 D HA 0.217 4.858 4.640 0.001 0.000 0.227 220 D C -0.266 175.525 176.300 -0.847 0.000 1.249 220 D CA -0.312 53.227 54.000 -0.768 0.000 0.891 220 D CB 0.929 41.353 40.800 -0.626 0.000 1.647 220 D HN 0.338 nan 8.370 nan 0.000 0.530 221 F N 2.337 122.169 119.950 -0.196 0.000 2.678 221 F HA 0.200 4.728 4.527 0.001 0.000 0.305 221 F C 0.686 176.485 175.800 -0.002 0.000 1.090 221 F CA -0.422 57.548 58.000 -0.051 0.000 1.272 221 F CB -0.163 38.842 39.000 0.008 0.000 1.060 221 F HN 0.287 nan 8.300 nan 0.000 0.576 222 Y N 0.488 120.878 120.300 0.150 0.000 2.854 222 Y HA -0.510 4.041 4.550 0.001 0.000 0.466 222 Y C 2.009 177.758 175.900 -0.253 0.000 1.170 222 Y CA 1.011 59.004 58.100 -0.179 0.000 2.593 222 Y CB -1.476 36.788 38.460 -0.327 0.000 1.203 222 Y HN 0.200 nan 8.280 nan 0.000 0.629 223 N N 1.041 119.683 118.700 -0.096 0.000 2.463 223 N HA -0.039 4.701 4.740 0.001 0.000 0.181 223 N C 0.853 176.354 175.510 -0.015 0.000 1.078 223 N CA 1.637 54.619 53.050 -0.114 0.000 0.902 223 N CB -0.285 38.106 38.487 -0.160 0.000 0.970 223 N HN 0.639 nan 8.380 nan 0.000 0.451 224 K N 0.325 120.754 120.400 0.048 0.000 2.217 224 K HA 0.076 4.397 4.320 0.001 0.000 0.202 224 K C 1.154 177.802 176.600 0.080 0.000 1.051 224 K CA 0.629 56.959 56.287 0.072 0.000 0.952 224 K CB -0.412 32.151 32.500 0.106 0.000 0.736 224 K HN 0.329 nan 8.250 nan 0.000 0.453 225 G N 1.291 110.168 108.800 0.129 0.000 2.668 225 G HA2 -0.289 3.672 3.960 0.001 0.000 0.266 225 G HA3 -0.289 3.672 3.960 0.001 0.000 0.266 225 G C -0.531 174.250 174.900 -0.199 0.000 1.328 225 G CA 0.058 45.199 45.100 0.069 0.000 0.911 225 G HN 0.298 nan 8.290 nan 0.000 0.567 226 S N -0.451 115.019 115.700 -0.384 0.000 2.720 226 S HA 0.495 4.966 4.470 0.001 0.000 0.278 226 S C 1.057 175.578 174.600 -0.131 0.000 1.172 226 S CA 0.606 58.529 58.200 -0.461 0.000 1.019 226 S CB 1.221 63.715 63.200 -1.177 0.000 1.049 226 S HN 0.911 nan 8.310 nan 0.000 0.483 227 E N 4.712 124.897 120.200 -0.025 0.000 2.031 227 E HA -0.135 4.215 4.350 0.001 0.000 0.193 227 E C 1.978 178.577 176.600 -0.003 0.000 0.994 227 E CA 1.438 57.875 56.400 0.061 0.000 0.800 227 E CB -0.898 28.853 29.700 0.085 0.000 0.752 227 E HN 0.658 nan 8.360 nan 0.000 0.447 228 A N 1.532 124.329 122.820 -0.039 0.000 1.892 228 A HA -0.207 4.113 4.320 0.001 0.000 0.218 228 A C 2.029 179.544 177.584 -0.115 0.000 1.188 228 A CA 1.851 53.850 52.037 -0.062 0.000 0.631 228 A CB -1.531 17.454 19.000 -0.025 0.000 0.822 228 A HN 0.545 nan 8.150 nan 0.000 0.447 229 W N 0.441 121.576 121.300 -0.275 0.000 2.318 229 W HA -0.167 4.494 4.660 0.001 0.000 0.313 229 W C 2.321 178.607 176.519 -0.389 0.000 1.221 229 W CA 2.491 59.690 57.345 -0.244 0.000 1.266 229 W CB -0.511 28.838 29.460 -0.185 0.000 1.150 229 W HN 0.300 nan 8.180 nan 0.000 0.496 230 G N -0.218 108.317 108.800 -0.442 0.000 2.418 230 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 230 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 230 G C 1.550 175.945 174.900 -0.842 0.000 1.158 230 G CA 1.472 45.860 45.100 -1.187 0.000 0.771 230 G HN 0.484 nan 8.290 nan 0.000 0.545 231 A N 0.682 123.090 122.820 -0.686 0.000 1.898 231 A HA 0.034 4.355 4.320 0.001 0.000 0.216 231 A C 2.156 179.402 177.584 -0.563 0.000 1.181 231 A CA 2.148 53.717 52.037 -0.779 0.000 0.620 231 A CB -0.397 18.407 19.000 -0.327 0.000 0.819 231 A HN 0.398 nan 8.150 nan 0.000 0.442 232 E N 0.777 120.694 120.200 -0.472 0.000 2.038 232 E HA -0.169 4.182 4.350 0.001 0.000 0.195 232 E C 1.686 177.965 176.600 -0.536 0.000 1.000 232 E CA 2.031 58.171 56.400 -0.433 0.000 0.803 232 E CB -0.167 29.288 29.700 -0.407 0.000 0.750 232 E HN 0.634 nan 8.360 nan 0.000 0.448 233 N N -1.579 116.669 118.700 -0.754 0.000 2.415 233 N HA -0.018 4.723 4.740 0.001 0.000 0.174 233 N C 0.350 175.301 175.510 -0.930 0.000 1.048 233 N CA 0.550 53.072 53.050 -0.880 0.000 0.895 233 N CB 0.321 38.047 38.487 -1.269 0.000 1.036 233 N HN 0.238 nan 8.380 nan 0.000 0.449 234 Y N -0.212 119.800 120.300 -0.480 0.000 2.707 234 Y HA 0.347 4.898 4.550 0.001 0.000 0.249 234 Y C 1.934 177.700 175.900 -0.224 0.000 1.166 234 Y CA -0.584 57.383 58.100 -0.222 0.000 1.184 234 Y CB 0.520 38.947 38.460 -0.055 0.000 1.240 234 Y HN -0.055 nan 8.280 nan 0.000 0.547 235 G N 0.658 109.205 108.800 -0.422 0.000 2.442 235 G HA2 -0.265 3.695 3.960 0.001 0.000 0.219 235 G HA3 -0.265 3.695 3.960 0.001 0.000 0.219 235 G C 1.106 175.999 174.900 -0.011 0.000 1.141 235 G CA 1.546 46.387 45.100 -0.432 0.000 0.763 235 G HN 0.446 nan 8.290 nan 0.000 0.554 236 D N -1.288 119.106 120.400 -0.011 0.000 2.463 236 D HA 0.070 4.710 4.640 0.001 0.000 0.224 236 D C 1.253 177.623 176.300 0.116 0.000 1.174 236 D CA -0.800 53.228 54.000 0.046 0.000 0.829 236 D CB -0.440 40.351 40.800 -0.014 0.000 0.993 236 D HN 0.318 nan 8.370 nan 0.000 0.497 237 Y N 1.395 121.747 120.300 0.087 0.000 2.163 237 Y HA -0.031 4.519 4.550 0.001 0.000 0.288 237 Y C 1.932 177.908 175.900 0.127 0.000 1.136 237 Y CA 1.312 59.507 58.100 0.158 0.000 1.147 237 Y CB -0.269 38.420 38.460 0.382 0.000 0.987 237 Y HN -0.067 nan 8.280 nan 0.000 0.509 238 I N 0.151 120.726 120.570 0.010 0.000 2.194 238 I HA -0.402 3.769 4.170 0.001 0.000 0.246 238 I C 2.562 178.582 176.117 -0.161 0.000 1.093 238 I CA 2.035 63.229 61.300 -0.176 0.000 1.355 238 I CB -0.598 37.269 38.000 -0.222 0.000 1.046 238 I HN 0.390 nan 8.210 nan 0.000 0.413 239 S N 0.004 115.653 115.700 -0.085 0.000 2.474 239 S HA -0.148 4.323 4.470 0.001 0.000 0.235 239 S C 1.750 176.293 174.600 -0.095 0.000 0.997 239 S CA 0.788 58.941 58.200 -0.078 0.000 0.949 239 S CB -0.329 62.846 63.200 -0.041 0.000 0.766 239 S HN 0.434 nan 8.310 nan 0.000 0.517 240 K N 0.326 120.657 120.400 -0.115 0.000 2.393 240 K HA 0.333 4.654 4.320 0.001 0.000 0.193 240 K C -0.127 176.389 176.600 -0.139 0.000 1.026 240 K CA 0.042 56.269 56.287 -0.100 0.000 1.064 240 K CB 0.042 32.516 32.500 -0.043 0.000 0.833 240 K HN 0.406 nan 8.250 nan 0.000 0.521 241 L N 1.525 122.627 121.223 -0.202 0.000 2.325 241 L HA 0.222 4.563 4.340 0.001 0.000 0.279 241 L C 0.569 177.346 176.870 -0.154 0.000 1.054 241 L CA -0.863 53.868 54.840 -0.182 0.000 0.804 241 L CB 1.477 43.397 42.059 -0.231 0.000 1.200 241 L HN 0.025 nan 8.230 nan 0.000 0.436 242 S N -0.291 115.336 115.700 -0.121 0.000 2.580 242 S HA 0.019 4.490 4.470 0.001 0.000 0.266 242 S C 1.009 175.552 174.600 -0.096 0.000 1.354 242 S CA -0.149 57.968 58.200 -0.139 0.000 1.008 242 S CB 0.345 63.504 63.200 -0.069 0.000 0.898 242 S HN 0.673 nan 8.310 nan 0.000 0.555 243 H N 0.972 120.032 119.070 -0.016 0.000 2.387 243 H HA -0.119 4.438 4.556 0.001 0.000 0.299 243 H C 2.337 177.666 175.328 0.002 0.000 1.099 243 H CA 1.974 58.018 56.048 -0.007 0.000 1.315 243 H CB -0.015 29.746 29.762 -0.003 0.000 1.380 243 H HN 0.912 nan 8.280 nan 0.000 0.513 244 E N 0.964 121.235 120.200 0.118 0.000 2.107 244 E HA -0.193 4.158 4.350 0.001 0.000 0.191 244 E C 1.845 178.473 176.600 0.048 0.000 0.982 244 E CA 0.912 57.355 56.400 0.072 0.000 0.809 244 E CB -0.143 29.589 29.700 0.054 0.000 0.756 244 E HN 0.580 nan 8.360 nan 0.000 0.459 245 Q N 0.313 120.130 119.800 0.027 0.000 2.046 245 Q HA -0.110 4.231 4.340 0.001 0.000 0.200 245 Q C 2.286 178.297 176.000 0.019 0.000 0.975 245 Q CA 1.204 57.012 55.803 0.009 0.000 0.836 245 Q CB -0.103 28.623 28.738 -0.019 0.000 0.896 245 Q HN 0.235 nan 8.270 nan 0.000 0.428 246 L N 0.413 121.654 121.223 0.029 0.000 2.017 246 L HA -0.067 4.274 4.340 0.001 0.000 0.208 246 L C 2.079 179.013 176.870 0.107 0.000 1.073 246 L CA 2.352 57.235 54.840 0.072 0.000 0.745 246 L CB -1.129 40.966 42.059 0.059 0.000 0.894 246 L HN 0.196 nan 8.230 nan 0.000 0.432 247 G N -1.108 107.749 108.800 0.094 0.000 2.446 247 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 247 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 247 G C 1.609 176.553 174.900 0.074 0.000 1.168 247 G CA 0.997 46.150 45.100 0.089 0.000 0.771 247 G HN 0.655 nan 8.290 nan 0.000 0.551 248 A N 0.388 123.239 122.820 0.052 0.000 1.883 248 A HA 0.021 4.341 4.320 0.001 0.000 0.217 248 A C 2.383 179.975 177.584 0.014 0.000 1.186 248 A CA 1.818 53.875 52.037 0.033 0.000 0.624 248 A CB -0.507 18.503 19.000 0.016 0.000 0.822 248 A HN 0.491 nan 8.150 nan 0.000 0.444 249 L N -0.276 120.940 121.223 -0.013 0.000 2.093 249 L HA -0.067 4.274 4.340 0.001 0.000 0.208 249 L C 2.136 178.953 176.870 -0.088 0.000 1.085 249 L CA 2.503 57.295 54.840 -0.080 0.000 0.755 249 L CB -0.597 41.418 42.059 -0.073 0.000 0.904 249 L HN 0.544 nan 8.230 nan 0.000 0.435 250 E N -0.958 119.251 120.200 0.015 0.000 2.106 250 E HA -0.132 4.219 4.350 0.001 0.000 0.192 250 E C 2.085 178.701 176.600 0.027 0.000 0.984 250 E CA 0.979 57.391 56.400 0.020 0.000 0.806 250 E CB -0.398 29.430 29.700 0.212 0.000 0.750 250 E HN 0.627 nan 8.360 nan 0.000 0.458 251 G N -0.110 108.743 108.800 0.088 0.000 2.418 251 G HA2 -0.314 3.647 3.960 0.001 0.000 0.217 251 G HA3 -0.314 3.647 3.960 0.001 0.000 0.217 251 G C 1.354 176.316 174.900 0.104 0.000 1.158 251 G CA 0.906 46.073 45.100 0.113 0.000 0.771 251 G HN 0.346 nan 8.290 nan 0.000 0.545 252 Y N 1.245 121.515 120.300 -0.049 0.000 2.097 252 Y HA -0.120 4.431 4.550 0.001 0.000 0.282 252 Y C 2.585 178.470 175.900 -0.025 0.000 1.152 252 Y CA 1.653 59.722 58.100 -0.051 0.000 1.136 252 Y CB -0.297 38.034 38.460 -0.216 0.000 0.975 252 Y HN 0.112 nan 8.280 nan 0.000 0.498 253 L N -1.160 119.964 121.223 -0.165 0.000 2.131 253 L HA -0.239 4.102 4.340 0.001 0.000 0.210 253 L C 1.733 178.572 176.870 -0.053 0.000 1.092 253 L CA 1.879 56.526 54.840 -0.323 0.000 0.759 253 L CB -0.479 41.095 42.059 -0.809 0.000 0.903 253 L HN 0.374 nan 8.230 nan 0.000 0.435 254 H N -3.610 115.548 119.070 0.147 0.000 2.885 254 H HA 0.124 4.681 4.556 0.001 0.000 0.260 254 H C 1.827 177.245 175.328 0.150 0.000 0.985 254 H CA 0.486 56.647 56.048 0.189 0.000 1.210 254 H CB 1.068 30.924 29.762 0.157 0.000 1.466 254 H HN 0.146 nan 8.280 nan 0.000 0.493 255 S N -1.004 114.833 115.700 0.228 0.000 3.369 255 S HA -0.027 4.444 4.470 0.001 0.000 0.251 255 S C 0.294 174.912 174.600 0.030 0.000 1.093 255 S CA -0.088 58.180 58.200 0.113 0.000 0.952 255 S CB 0.302 63.571 63.200 0.113 0.000 0.965 255 S HN 0.163 nan 8.310 nan 0.000 0.436 256 D N 1.226 121.656 120.400 0.050 0.000 2.349 256 D HA 0.205 4.845 4.640 0.001 0.000 0.214 256 D C 1.395 177.695 176.300 -0.000 0.000 1.063 256 D CA 0.320 54.339 54.000 0.030 0.000 0.847 256 D CB -0.073 40.780 40.800 0.089 0.000 0.933 256 D HN 0.749 nan 8.370 nan 0.000 0.513 257 Y N 0.847 120.991 120.300 -0.259 0.000 2.263 257 Y HA 0.043 4.594 4.550 0.001 0.000 0.292 257 Y C 2.152 177.985 175.900 -0.112 0.000 1.130 257 Y CA 0.845 58.675 58.100 -0.449 0.000 1.179 257 Y CB -0.214 37.620 38.460 -1.045 0.000 0.998 257 Y HN -0.248 nan 8.280 nan 0.000 0.532 258 K N 1.061 121.157 120.400 -0.507 0.000 2.009 258 K HA -0.167 4.154 4.320 0.001 0.000 0.210 258 K C 2.414 178.965 176.600 -0.082 0.000 1.049 258 K CA 1.485 57.571 56.287 -0.334 0.000 0.929 258 K CB -0.479 31.797 32.500 -0.374 0.000 0.714 258 K HN 0.456 nan 8.250 nan 0.000 0.440 259 A N 1.108 123.900 122.820 -0.048 0.000 1.873 259 A HA -0.120 4.201 4.320 0.001 0.000 0.215 259 A C 2.103 179.763 177.584 0.126 0.000 1.186 259 A CA 1.396 53.450 52.037 0.028 0.000 0.616 259 A CB -0.565 18.436 19.000 0.001 0.000 0.823 259 A HN 0.323 nan 8.150 nan 0.000 0.442 260 I N 0.031 120.707 120.570 0.176 0.000 2.179 260 I HA -0.313 3.858 4.170 0.001 0.000 0.242 260 I C 2.301 178.635 176.117 0.361 0.000 1.088 260 I CA 1.763 63.255 61.300 0.320 0.000 1.357 260 I CB -0.572 37.699 38.000 0.452 0.000 1.051 260 I HN 0.457 nan 8.210 nan 0.000 0.409 261 N N -0.219 118.680 118.700 0.332 0.000 2.120 261 N HA -0.199 4.542 4.740 0.001 0.000 0.188 261 N C 2.002 177.603 175.510 0.153 0.000 1.024 261 N CA 1.387 54.596 53.050 0.266 0.000 0.852 261 N CB -0.106 38.553 38.487 0.287 0.000 1.003 261 N HN 0.171 nan 8.380 nan 0.000 0.424 262 S N 0.021 115.798 115.700 0.128 0.000 2.368 262 S HA -0.196 4.275 4.470 0.001 0.000 0.225 262 S C 1.833 176.504 174.600 0.119 0.000 1.030 262 S CA 0.962 59.218 58.200 0.092 0.000 0.999 262 S CB -0.410 62.834 63.200 0.072 0.000 0.844 262 S HN 0.429 nan 8.310 nan 0.000 0.459 263 Y N 1.886 122.210 120.300 0.040 0.000 2.128 263 Y HA -0.085 4.466 4.550 0.001 0.000 0.284 263 Y C 1.911 177.821 175.900 0.017 0.000 1.154 263 Y CA 1.771 59.890 58.100 0.032 0.000 1.149 263 Y CB -0.505 37.985 38.460 0.050 0.000 0.976 263 Y HN 0.248 nan 8.280 nan 0.000 0.505 264 L N -0.352 120.874 121.223 0.006 0.000 2.056 264 L HA -0.209 4.131 4.340 0.001 0.000 0.207 264 L C 2.550 179.343 176.870 -0.128 0.000 1.078 264 L CA 1.519 56.290 54.840 -0.115 0.000 0.749 264 L CB -0.465 41.565 42.059 -0.048 0.000 0.901 264 L HN 0.112 nan 8.230 nan 0.000 0.433 265 R N -0.114 120.348 120.500 -0.063 0.000 2.148 265 R HA -0.091 4.250 4.340 0.001 0.000 0.227 265 R C 1.309 177.562 176.300 -0.079 0.000 1.103 265 R CA 0.922 56.983 56.100 -0.064 0.000 0.983 265 R CB -0.223 30.060 30.300 -0.027 0.000 0.874 265 R HN 0.335 nan 8.270 nan 0.000 0.451 266 N N 0.845 119.491 118.700 -0.091 0.000 2.383 266 N HA -0.002 4.739 4.740 0.001 0.000 0.192 266 N C -0.724 174.695 175.510 -0.152 0.000 1.141 266 N CA 0.213 53.205 53.050 -0.098 0.000 0.851 266 N CB -0.020 38.431 38.487 -0.061 0.000 0.976 266 N HN 0.175 nan 8.380 nan 0.000 0.465 267 N N 0.958 119.544 118.700 -0.190 0.000 2.738 267 N HA -0.233 4.507 4.740 0.001 0.000 0.249 267 N C -0.841 174.489 175.510 -0.301 0.000 1.047 267 N CA 0.330 53.255 53.050 -0.208 0.000 0.707 267 N CB -0.925 37.480 38.487 -0.136 0.000 0.937 267 N HN 0.281 nan 8.380 nan 0.000 0.545 268 R N -3.520 116.638 120.500 -0.570 0.000 3.610 268 R HA -0.220 4.120 4.340 0.001 0.000 0.274 268 R C -0.243 175.806 176.300 -0.419 0.000 1.123 268 R CA 1.207 56.711 56.100 -0.993 0.000 0.747 268 R CB -2.328 27.566 30.300 -0.676 0.000 1.149 268 R HN 0.397 nan 8.270 nan 0.000 0.471 269 V N -1.451 118.327 119.914 -0.226 0.000 2.495 269 V HA 0.711 4.832 4.120 0.001 0.000 0.298 269 V C -1.334 174.778 176.094 0.030 0.000 1.031 269 V CA -2.008 60.263 62.300 -0.049 0.000 0.871 269 V CB 1.871 33.668 31.823 -0.044 0.000 0.988 269 V HN -0.025 nan 8.190 nan 0.000 0.432 270 P HA 0.258 nan 4.420 nan 0.000 0.274 270 P C -0.379 177.036 177.300 0.191 0.000 1.246 270 P CA -0.405 62.752 63.100 0.094 0.000 0.795 270 P CB 0.568 32.315 31.700 0.078 0.000 1.006 271 N N 1.590 120.380 118.700 0.149 0.000 2.356 271 N HA -0.046 4.695 4.740 0.001 0.000 0.252 271 N C -0.189 175.436 175.510 0.191 0.000 1.241 271 N CA 0.503 53.678 53.050 0.208 0.000 0.861 271 N CB -0.190 38.366 38.487 0.116 0.000 1.075 271 N HN 0.328 nan 8.380 nan 0.000 0.461 272 N N 2.370 121.183 118.700 0.188 0.000 2.577 272 N HA 0.111 4.852 4.740 0.001 0.000 0.275 272 N C -0.463 175.000 175.510 -0.080 0.000 1.091 272 N CA -0.491 52.522 53.050 -0.062 0.000 0.843 272 N CB 1.037 39.317 38.487 -0.345 0.000 1.295 272 N HN 0.579 nan 8.380 nan 0.000 0.530 273 D N 2.192 122.583 120.400 -0.015 0.000 2.178 273 D HA -0.187 4.454 4.640 0.001 0.000 0.202 273 D C 1.477 177.765 176.300 -0.020 0.000 0.974 273 D CA 1.509 55.512 54.000 0.005 0.000 0.841 273 D CB 0.505 41.315 40.800 0.016 0.000 0.953 273 D HN 0.805 nan 8.370 nan 0.000 0.478 274 E N -0.574 119.598 120.200 -0.048 0.000 2.152 274 E HA -0.122 4.229 4.350 0.001 0.000 0.192 274 E C 1.853 178.413 176.600 -0.067 0.000 0.983 274 E CA 0.684 57.058 56.400 -0.043 0.000 0.818 274 E CB -0.461 29.216 29.700 -0.039 0.000 0.758 274 E HN 0.190 nan 8.360 nan 0.000 0.467 275 L N 1.338 122.464 121.223 -0.160 0.000 2.072 275 L HA -0.062 4.279 4.340 0.001 0.000 0.205 275 L C 1.802 178.635 176.870 -0.061 0.000 1.079 275 L CA 1.474 56.190 54.840 -0.207 0.000 0.752 275 L CB -0.910 40.783 42.059 -0.609 0.000 0.906 275 L HN 0.190 nan 8.230 nan 0.000 0.436 276 N N -0.089 118.601 118.700 -0.016 0.000 2.094 276 N HA -0.226 4.515 4.740 0.001 0.000 0.191 276 N C 1.804 177.361 175.510 0.078 0.000 1.023 276 N CA 1.257 54.369 53.050 0.103 0.000 0.857 276 N CB -0.177 38.377 38.487 0.111 0.000 1.013 276 N HN 0.354 nan 8.380 nan 0.000 0.426 277 K N 0.968 121.394 120.400 0.043 0.000 2.026 277 K HA -0.037 4.284 4.320 0.001 0.000 0.208 277 K C 1.982 178.612 176.600 0.050 0.000 1.048 277 K CA 1.148 57.460 56.287 0.041 0.000 0.929 277 K CB 0.030 32.545 32.500 0.025 0.000 0.713 277 K HN 0.202 nan 8.250 nan 0.000 0.439 278 K N 0.465 120.895 120.400 0.049 0.000 2.057 278 K HA -0.075 4.246 4.320 0.001 0.000 0.206 278 K C 2.099 178.750 176.600 0.084 0.000 1.050 278 K CA 1.190 57.511 56.287 0.058 0.000 0.935 278 K CB -0.120 32.416 32.500 0.059 0.000 0.715 278 K HN 0.085 nan 8.250 nan 0.000 0.439 279 I N 1.314 121.970 120.570 0.143 0.000 2.226 279 I HA -0.277 3.894 4.170 0.001 0.000 0.245 279 I C 2.646 178.889 176.117 0.211 0.000 1.100 279 I CA 1.281 62.733 61.300 0.254 0.000 1.374 279 I CB -0.180 37.996 38.000 0.293 0.000 1.057 279 I HN 0.253 nan 8.210 nan 0.000 0.413 280 E N 1.011 121.291 120.200 0.133 0.000 2.058 280 E HA -0.260 4.090 4.350 0.001 0.000 0.194 280 E C 2.182 178.829 176.600 0.078 0.000 0.997 280 E CA 1.452 57.911 56.400 0.098 0.000 0.801 280 E CB 0.015 29.758 29.700 0.071 0.000 0.746 280 E HN 0.206 nan 8.360 nan 0.000 0.450 281 L N 0.720 121.978 121.223 0.058 0.000 2.046 281 L HA -0.160 4.180 4.340 0.001 0.000 0.208 281 L C 2.279 179.155 176.870 0.009 0.000 1.077 281 L CA 1.481 56.341 54.840 0.034 0.000 0.747 281 L CB -0.637 41.439 42.059 0.028 0.000 0.896 281 L HN 0.314 nan 8.230 nan 0.000 0.432 282 I N -1.569 118.984 120.570 -0.029 0.000 2.142 282 I HA -0.289 3.882 4.170 0.001 0.000 0.240 282 I C 2.450 178.535 176.117 -0.055 0.000 1.078 282 I CA 1.192 62.390 61.300 -0.169 0.000 1.343 282 I CB -0.498 37.181 38.000 -0.536 0.000 1.046 282 I HN 0.108 nan 8.210 nan 0.000 0.405 283 S N -0.005 115.769 115.700 0.124 0.000 2.402 283 S HA -0.233 4.238 4.470 0.001 0.000 0.233 283 S C 2.179 176.840 174.600 0.102 0.000 1.030 283 S CA 1.851 60.159 58.200 0.179 0.000 1.003 283 S CB -0.351 62.955 63.200 0.178 0.000 0.813 283 S HN 0.524 nan 8.310 nan 0.000 0.477 284 S N 1.406 117.151 115.700 0.075 0.000 2.345 284 S HA -0.011 4.460 4.470 0.001 0.000 0.219 284 S C 2.153 176.797 174.600 0.073 0.000 1.031 284 S CA 1.145 59.383 58.200 0.064 0.000 0.984 284 S CB -0.576 62.653 63.200 0.047 0.000 0.874 284 S HN 0.513 nan 8.310 nan 0.000 0.451 285 A N 1.768 124.624 122.820 0.060 0.000 1.927 285 A HA -0.065 4.256 4.320 0.001 0.000 0.220 285 A C 2.205 179.920 177.584 0.218 0.000 1.185 285 A CA 1.773 53.863 52.037 0.088 0.000 0.639 285 A CB -1.006 18.022 19.000 0.047 0.000 0.820 285 A HN 0.612 nan 8.150 nan 0.000 0.451 286 L N 0.199 121.517 121.223 0.158 0.000 2.376 286 L HA -0.084 4.257 4.340 0.001 0.000 0.219 286 L C 2.437 179.411 176.870 0.173 0.000 1.133 286 L CA 1.286 56.226 54.840 0.166 0.000 0.816 286 L CB -0.239 41.868 42.059 0.079 0.000 0.933 286 L HN 0.634 nan 8.230 nan 0.000 0.449 287 S N -2.002 113.792 115.700 0.157 0.000 2.540 287 S HA 0.039 4.510 4.470 0.001 0.000 0.218 287 S C 1.586 176.276 174.600 0.151 0.000 0.977 287 S CA -0.163 58.117 58.200 0.133 0.000 0.918 287 S CB 0.222 63.478 63.200 0.095 0.000 0.806 287 S HN 0.089 nan 8.310 nan 0.000 0.496 288 V N 1.242 121.281 119.914 0.207 0.000 2.358 288 V HA 0.106 4.227 4.120 0.001 0.000 0.246 288 V C 1.426 177.650 176.094 0.217 0.000 1.047 288 V CA 1.508 63.925 62.300 0.194 0.000 1.035 288 V CB -0.525 31.405 31.823 0.179 0.000 0.658 288 V HN 0.530 nan 8.190 nan 0.000 0.452 289 K N 0.806 121.401 120.400 0.325 0.000 2.624 289 K HA 0.322 4.642 4.320 0.001 0.000 0.200 289 K C -2.843 173.902 176.600 0.242 0.000 1.036 289 K CA -1.955 54.467 56.287 0.226 0.000 1.029 289 K CB 1.617 34.244 32.500 0.212 0.000 1.317 289 K HN 0.180 nan 8.250 nan 0.000 0.555 290 P HA -0.039 nan 4.420 nan 0.000 0.269 290 P C -0.027 177.408 177.300 0.224 0.000 1.217 290 P CA -0.340 62.863 63.100 0.172 0.000 0.783 290 P CB 0.441 32.209 31.700 0.113 0.000 0.898 291 I N 3.874 124.593 120.570 0.248 0.000 2.828 291 I HA -0.069 4.101 4.170 0.001 0.000 0.292 291 I C -1.375 174.888 176.117 0.243 0.000 1.206 291 I CA -0.820 60.677 61.300 0.329 0.000 1.420 291 I CB -0.074 38.079 38.000 0.255 0.000 1.368 291 I HN 0.329 nan 8.210 nan 0.000 0.556 292 P HA 0.015 nan 4.420 nan 0.000 0.251 292 P C -0.479 176.902 177.300 0.135 0.000 1.223 292 P CA 0.479 63.648 63.100 0.114 0.000 0.796 292 P CB 0.447 32.136 31.700 -0.019 0.000 1.068 293 Q N -3.283 116.649 119.800 0.220 0.000 2.527 293 Q HA 0.389 4.729 4.340 0.001 0.000 0.280 293 Q C -1.276 174.826 176.000 0.171 0.000 0.977 293 Q CA -0.835 55.076 55.803 0.181 0.000 0.837 293 Q CB 0.025 28.889 28.738 0.209 0.000 1.454 293 Q HN -0.360 nan 8.270 nan 0.000 0.387 294 T N 2.778 117.389 114.554 0.095 0.000 2.908 294 T HA 0.376 4.727 4.350 0.001 0.000 0.301 294 T C -0.005 174.703 174.700 0.013 0.000 1.019 294 T CA 0.259 62.386 62.100 0.044 0.000 1.152 294 T CB -0.334 68.542 68.868 0.013 0.000 0.966 294 T HN 0.498 nan 8.240 nan 0.000 0.540 295 L N 1.087 122.280 121.223 -0.051 0.000 2.491 295 L HA 0.760 5.101 4.340 0.001 0.000 0.254 295 L C -1.477 175.273 176.870 -0.200 0.000 1.048 295 L CA -1.471 53.272 54.840 -0.162 0.000 0.855 295 L CB 1.444 43.338 42.059 -0.275 0.000 1.466 295 L HN 0.210 nan 8.230 nan 0.000 0.409 296 I N 1.884 122.288 120.570 -0.277 0.000 2.353 296 I HA 0.778 4.949 4.170 0.001 0.000 0.293 296 I C 0.399 176.296 176.117 -0.366 0.000 0.992 296 I CA -0.203 60.895 61.300 -0.336 0.000 1.268 296 I CB 1.051 38.821 38.000 -0.383 0.000 1.387 296 I HN 0.893 nan 8.210 nan 0.000 0.478 297 A N 6.375 128.947 122.820 -0.413 0.000 2.515 297 A HA 0.826 5.147 4.320 0.001 0.000 0.296 297 A C -1.779 175.544 177.584 -0.434 0.000 1.094 297 A CA -0.469 51.394 52.037 -0.290 0.000 0.718 297 A CB 1.407 20.314 19.000 -0.156 0.000 1.307 297 A HN 0.519 nan 8.150 nan 0.000 0.408 298 Y N -0.190 120.100 120.300 -0.017 0.000 2.485 298 Y HA 0.762 5.313 4.550 0.001 0.000 0.345 298 Y C 0.387 176.290 175.900 0.006 0.000 0.998 298 Y CA -0.448 57.660 58.100 0.013 0.000 1.059 298 Y CB 2.263 40.760 38.460 0.061 0.000 1.234 298 Y HN 0.736 nan 8.280 nan 0.000 0.461 299 R N 2.857 123.478 120.500 0.202 0.000 2.569 299 R HA 0.415 4.756 4.340 0.001 0.000 0.293 299 R C -1.481 174.940 176.300 0.202 0.000 1.186 299 R CA -0.645 55.548 56.100 0.155 0.000 0.956 299 R CB 0.805 31.192 30.300 0.144 0.000 1.196 299 R HN 0.792 nan 8.270 nan 0.000 0.444 300 R N 2.995 123.552 120.500 0.096 0.000 2.234 300 R HA 0.312 4.652 4.340 0.001 0.000 0.324 300 R C 0.068 176.420 176.300 0.086 0.000 1.054 300 R CA -0.404 55.750 56.100 0.091 0.000 0.912 300 R CB 1.464 31.820 30.300 0.093 0.000 1.030 300 R HN 0.439 nan 8.270 nan 0.000 0.455 301 V N -0.853 119.161 119.914 0.167 0.000 3.126 301 V HA 0.534 4.654 4.120 0.001 0.000 0.314 301 V C -0.441 175.816 176.094 0.272 0.000 1.138 301 V CA -1.017 61.391 62.300 0.181 0.000 1.034 301 V CB 2.097 34.042 31.823 0.203 0.000 1.075 301 V HN 0.765 nan 8.190 nan 0.000 0.442 302 D N 0.899 121.424 120.400 0.208 0.000 2.541 302 D HA 0.422 5.063 4.640 0.001 0.000 0.276 302 D C 1.289 177.590 176.300 0.002 0.000 1.190 302 D CA 0.251 54.432 54.000 0.301 0.000 1.095 302 D CB 0.421 41.345 40.800 0.207 0.000 1.173 302 D HN 0.801 nan 8.370 nan 0.000 0.604 303 G N -0.697 108.097 108.800 -0.009 0.000 2.598 303 G HA2 -0.080 3.881 3.960 0.001 0.000 0.215 303 G HA3 -0.080 3.881 3.960 0.001 0.000 0.215 303 G C 1.301 176.031 174.900 -0.284 0.000 1.131 303 G CA 0.262 45.146 45.100 -0.359 0.000 0.785 303 G HN 0.337 nan 8.290 nan 0.000 0.539 304 I N 1.989 122.446 120.570 -0.189 0.000 2.163 304 I HA -0.086 4.085 4.170 0.001 0.000 0.243 304 I C -0.151 175.788 176.117 -0.296 0.000 1.085 304 I CA 0.659 61.857 61.300 -0.169 0.000 1.347 304 I CB -2.047 35.896 38.000 -0.095 0.000 1.044 304 I HN 0.090 nan 8.210 nan 0.000 0.408 305 P HA -0.097 nan 4.420 nan 0.000 0.230 305 P C 1.194 177.957 177.300 -0.895 0.000 1.158 305 P CA 1.154 63.833 63.100 -0.701 0.000 0.769 305 P CB -0.181 30.988 31.700 -0.885 0.000 0.807 306 F N -1.530 118.151 119.950 -0.448 0.000 2.664 306 F HA 0.212 4.739 4.527 0.001 0.000 0.303 306 F C 0.413 176.170 175.800 -0.071 0.000 1.092 306 F CA -0.386 57.277 58.000 -0.563 0.000 1.305 306 F CB -0.705 37.798 39.000 -0.829 0.000 1.054 306 F HN -0.215 nan 8.300 nan 0.000 0.565 307 D N 1.207 121.615 120.400 0.013 0.000 2.800 307 D HA -0.182 4.459 4.640 0.001 0.000 0.232 307 D C -0.400 175.923 176.300 0.038 0.000 1.137 307 D CA 0.681 54.715 54.000 0.056 0.000 0.718 307 D CB -1.253 39.625 40.800 0.129 0.000 1.084 307 D HN 0.219 nan 8.370 nan 0.000 0.432 308 L N -0.714 120.483 121.223 -0.045 0.000 2.322 308 L HA 0.612 4.953 4.340 0.001 0.000 0.269 308 L C -1.852 175.032 176.870 0.022 0.000 1.012 308 L CA -2.088 52.702 54.840 -0.082 0.000 0.815 308 L CB 1.302 43.089 42.059 -0.453 0.000 1.295 308 L HN -0.251 nan 8.230 nan 0.000 0.438 309 P HA 0.045 nan 4.420 nan 0.000 0.272 309 P C 0.239 177.630 177.300 0.153 0.000 1.230 309 P CA -0.350 62.830 63.100 0.133 0.000 0.788 309 P CB 0.649 32.440 31.700 0.152 0.000 0.949 310 S N -0.141 115.622 115.700 0.106 0.000 2.453 310 S HA -0.129 4.342 4.470 0.001 0.000 0.231 310 S C 1.072 175.750 174.600 0.130 0.000 1.005 310 S CA 1.019 59.285 58.200 0.111 0.000 0.949 310 S CB -0.839 62.407 63.200 0.076 0.000 0.774 310 S HN 0.575 nan 8.310 nan 0.000 0.510 311 D N 0.289 120.755 120.400 0.111 0.000 2.325 311 D HA 0.070 4.711 4.640 0.001 0.000 0.225 311 D C 0.169 176.509 176.300 0.068 0.000 1.096 311 D CA -0.832 53.212 54.000 0.074 0.000 0.844 311 D CB -0.964 39.856 40.800 0.035 0.000 0.925 311 D HN 0.430 nan 8.370 nan 0.000 0.513 312 F N 1.953 121.901 119.950 -0.003 0.000 2.623 312 F HA 0.126 4.654 4.527 0.001 0.000 0.383 312 F C 0.276 175.980 175.800 -0.160 0.000 1.077 312 F CA 0.363 58.325 58.000 -0.063 0.000 1.268 312 F CB 0.665 39.649 39.000 -0.027 0.000 1.053 312 F HN -0.129 nan 8.300 nan 0.000 0.571 313 S N 5.333 120.462 115.700 -0.952 0.000 2.521 313 S HA 0.434 4.905 4.470 0.001 0.000 0.295 313 S C 0.133 174.154 174.600 -0.964 0.000 1.098 313 S CA -0.734 57.048 58.200 -0.697 0.000 0.999 313 S CB 0.644 63.632 63.200 -0.354 0.000 1.034 313 S HN 0.551 nan 8.310 nan 0.000 0.483 314 F N 1.954 121.655 119.950 -0.414 0.000 2.811 314 F HA 0.312 4.840 4.527 0.001 0.000 0.301 314 F C 0.789 176.466 175.800 -0.205 0.000 1.151 314 F CA -0.156 57.685 58.000 -0.266 0.000 1.412 314 F CB 0.001 38.880 39.000 -0.202 0.000 1.113 314 F HN 0.486 nan 8.300 nan 0.000 0.579 315 D N -0.248 120.098 120.400 -0.090 0.000 2.385 315 D HA 0.473 5.114 4.640 0.001 0.000 0.254 315 D C -0.345 175.892 176.300 -0.105 0.000 1.053 315 D CA -0.509 53.448 54.000 -0.072 0.000 0.992 315 D CB 1.116 41.875 40.800 -0.069 0.000 1.145 315 D HN 0.031 nan 8.370 nan 0.000 0.523 316 K N -0.772 119.588 120.400 -0.067 0.000 2.533 316 K HA 0.472 4.793 4.320 0.001 0.000 0.272 316 K C -1.187 175.387 176.600 -0.043 0.000 0.985 316 K CA -1.090 55.160 56.287 -0.062 0.000 0.876 316 K CB 1.546 34.018 32.500 -0.048 0.000 1.452 316 K HN 0.041 nan 8.250 nan 0.000 0.439 317 K N 1.740 122.118 120.400 -0.038 0.000 2.229 317 K HA 0.097 4.417 4.320 0.001 0.000 0.247 317 K C -0.836 175.752 176.600 -0.019 0.000 1.117 317 K CA -0.211 56.059 56.287 -0.027 0.000 1.036 317 K CB 0.789 33.273 32.500 -0.027 0.000 1.654 317 K HN 0.443 nan 8.250 nan 0.000 0.405 318 E N 3.182 123.373 120.200 -0.016 0.000 1.993 318 E HA -0.001 4.349 4.350 0.001 0.000 0.271 318 E C -0.792 175.803 176.600 -0.008 0.000 1.008 318 E CA -0.391 56.003 56.400 -0.010 0.000 0.814 318 E CB 0.159 29.855 29.700 -0.006 0.000 1.098 318 E HN 0.467 nan 8.360 nan 0.000 0.407 319 N N 3.947 122.643 118.700 -0.007 0.000 2.537 319 N HA -0.263 4.477 4.740 0.001 0.000 0.286 319 N C 0.565 176.071 175.510 -0.007 0.000 1.245 319 N CA 1.576 54.623 53.050 -0.006 0.000 0.704 319 N CB -1.061 37.423 38.487 -0.004 0.000 0.910 319 N HN 0.869 nan 8.380 nan 0.000 0.542 320 G N 1.116 109.911 108.800 -0.009 0.000 5.359 320 G HA2 -0.445 3.516 3.960 0.001 0.000 0.333 320 G HA3 -0.445 3.516 3.960 0.001 0.000 0.333 320 G C 0.132 175.025 174.900 -0.011 0.000 1.365 320 G CA 0.788 45.882 45.100 -0.010 0.000 1.008 320 G HN 0.869 nan 8.290 nan 0.000 0.816 321 E N 0.826 121.020 120.200 -0.010 0.000 2.570 321 E HA 0.094 4.444 4.350 0.001 0.000 0.274 321 E C -0.338 176.254 176.600 -0.014 0.000 1.073 321 E CA 0.669 57.063 56.400 -0.011 0.000 1.005 321 E CB 0.374 30.069 29.700 -0.008 0.000 1.008 321 E HN 0.612 nan 8.360 nan 0.000 0.460 322 I N 4.867 125.428 120.570 -0.015 0.000 2.595 322 I HA 0.218 4.389 4.170 0.001 0.000 0.275 322 I C -1.177 174.929 176.117 -0.019 0.000 1.092 322 I CA -0.335 60.953 61.300 -0.020 0.000 1.145 322 I CB 0.529 38.516 38.000 -0.021 0.000 1.276 322 I HN 0.306 nan 8.210 nan 0.000 0.497 323 I N 5.633 126.191 120.570 -0.019 0.000 3.002 323 I HA 0.803 4.974 4.170 0.001 0.000 0.310 323 I C -0.130 175.978 176.117 -0.015 0.000 1.087 323 I CA -0.835 60.456 61.300 -0.015 0.000 1.017 323 I CB 2.141 40.136 38.000 -0.009 0.000 1.226 323 I HN 0.484 nan 8.210 nan 0.000 0.443 324 A N 2.878 125.691 122.820 -0.011 0.000 2.462 324 A HA 0.248 4.569 4.320 0.001 0.000 0.243 324 A C -0.331 177.261 177.584 0.012 0.000 1.076 324 A CA -0.090 51.945 52.037 -0.003 0.000 0.773 324 A CB -0.194 18.797 19.000 -0.015 0.000 1.010 324 A HN 0.659 nan 8.150 nan 0.000 0.493 325 D N 1.654 122.077 120.400 0.038 0.000 2.456 325 D HA 0.198 4.839 4.640 0.001 0.000 0.219 325 D C 0.891 177.244 176.300 0.089 0.000 1.126 325 D CA -0.032 54.002 54.000 0.056 0.000 0.890 325 D CB 0.589 41.419 40.800 0.050 0.000 1.025 325 D HN 0.551 nan 8.370 nan 0.000 0.511 326 K N 1.999 122.434 120.400 0.058 0.000 2.097 326 K HA -0.150 4.170 4.320 0.001 0.000 0.205 326 K C 1.760 178.410 176.600 0.084 0.000 1.050 326 K CA 0.698 57.016 56.287 0.052 0.000 0.938 326 K CB 0.233 32.751 32.500 0.030 0.000 0.718 326 K HN 0.456 nan 8.250 nan 0.000 0.442 327 Q N 1.394 121.250 119.800 0.094 0.000 2.084 327 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 327 Q C 1.753 177.862 176.000 0.182 0.000 0.978 327 Q CA 1.611 57.483 55.803 0.115 0.000 0.844 327 Q CB 0.153 28.948 28.738 0.094 0.000 0.898 327 Q HN 0.165 nan 8.270 nan 0.000 0.426 328 K N 0.046 120.586 120.400 0.234 0.000 2.057 328 K HA -0.130 4.190 4.320 0.001 0.000 0.207 328 K C 2.187 179.101 176.600 0.522 0.000 1.049 328 K CA 1.262 57.789 56.287 0.400 0.000 0.931 328 K CB -0.110 32.640 32.500 0.417 0.000 0.714 328 K HN 0.250 nan 8.250 nan 0.000 0.440 329 L N 1.154 122.578 121.223 0.336 0.000 2.046 329 L HA -0.235 4.105 4.340 0.001 0.000 0.208 329 L C 1.988 178.961 176.870 0.170 0.000 1.077 329 L CA 1.065 55.965 54.840 0.100 0.000 0.747 329 L CB -0.469 41.529 42.059 -0.101 0.000 0.896 329 L HN 0.218 nan 8.230 nan 0.000 0.432 330 N N -0.087 118.705 118.700 0.155 0.000 2.142 330 N HA -0.162 4.579 4.740 0.001 0.000 0.186 330 N C 1.756 177.365 175.510 0.165 0.000 1.023 330 N CA 1.146 54.273 53.050 0.129 0.000 0.852 330 N CB -0.132 38.411 38.487 0.092 0.000 0.998 330 N HN 0.404 nan 8.380 nan 0.000 0.424 331 E N -0.329 119.998 120.200 0.212 0.000 2.150 331 E HA -0.124 4.226 4.350 0.001 0.000 0.193 331 E C 1.516 178.273 176.600 0.262 0.000 0.985 331 E CA 0.470 56.993 56.400 0.206 0.000 0.814 331 E CB -0.126 29.704 29.700 0.217 0.000 0.752 331 E HN 0.264 nan 8.360 nan 0.000 0.466 332 F N 1.362 121.477 119.950 0.274 0.000 2.060 332 F HA -0.165 4.363 4.527 0.001 0.000 0.295 332 F C 2.028 178.007 175.800 0.298 0.000 1.120 332 F CA 1.368 59.591 58.000 0.371 0.000 1.205 332 F CB -0.181 39.105 39.000 0.476 0.000 0.986 332 F HN -0.118 nan 8.300 nan 0.000 0.470 333 I N 0.464 121.216 120.570 0.302 0.000 2.151 333 I HA -0.361 3.810 4.170 0.001 0.000 0.243 333 I C 1.908 178.066 176.117 0.068 0.000 1.080 333 I CA 1.828 63.225 61.300 0.162 0.000 1.339 333 I CB -0.658 37.423 38.000 0.135 0.000 1.039 333 I HN 0.152 nan 8.210 nan 0.000 0.409 334 D N 0.428 120.865 120.400 0.062 0.000 2.178 334 D HA -0.181 4.460 4.640 0.001 0.000 0.202 334 D C 2.093 178.360 176.300 -0.056 0.000 0.974 334 D CA 1.085 55.102 54.000 0.029 0.000 0.841 334 D CB -0.112 40.714 40.800 0.043 0.000 0.953 334 D HN 0.339 nan 8.370 nan 0.000 0.478 335 K N -0.812 119.498 120.400 -0.151 0.000 2.098 335 K HA -0.074 4.247 4.320 0.001 0.000 0.203 335 K C 1.587 177.856 176.600 -0.552 0.000 1.051 335 K CA 0.681 56.733 56.287 -0.392 0.000 0.957 335 K CB -0.086 32.098 32.500 -0.527 0.000 0.738 335 K HN 0.119 nan 8.250 nan 0.000 0.447 336 W N 1.331 122.463 121.300 -0.280 0.000 2.942 336 W HA 0.157 4.818 4.660 0.001 0.000 0.263 336 W C 0.222 176.702 176.519 -0.065 0.000 1.296 336 W CA -0.184 57.016 57.345 -0.243 0.000 1.504 336 W CB 0.112 29.231 29.460 -0.569 0.000 1.096 336 W HN -0.190 nan 8.180 nan 0.000 0.639 337 T N 0.989 115.613 114.554 0.117 0.000 2.829 337 T HA 0.330 4.680 4.350 0.001 0.000 0.293 337 T C 1.103 175.890 174.700 0.145 0.000 0.970 337 T CA 1.497 63.687 62.100 0.150 0.000 1.168 337 T CB 0.105 69.054 68.868 0.136 0.000 0.911 337 T HN 0.477 nan 8.240 nan 0.000 0.535 338 G N 2.941 111.856 108.800 0.192 0.000 2.175 338 G HA2 -0.192 3.769 3.960 0.001 0.000 0.244 338 G HA3 -0.192 3.769 3.960 0.001 0.000 0.244 338 G C 0.137 175.127 174.900 0.150 0.000 0.982 338 G CA -0.404 44.797 45.100 0.169 0.000 0.641 338 G HN 0.546 nan 8.290 nan 0.000 0.527 339 K N 0.987 121.507 120.400 0.200 0.000 2.118 339 K HA 0.516 4.837 4.320 0.001 0.000 0.267 339 K C 0.226 176.990 176.600 0.273 0.000 0.991 339 K CA -0.389 56.032 56.287 0.222 0.000 0.916 339 K CB 1.153 33.849 32.500 0.327 0.000 1.041 339 K HN 0.482 nan 8.250 nan 0.000 0.455 340 E N 2.392 122.715 120.200 0.206 0.000 2.109 340 E HA 0.264 4.614 4.350 0.001 0.000 0.278 340 E C -0.277 176.409 176.600 0.144 0.000 0.954 340 E CA -0.482 56.011 56.400 0.155 0.000 0.779 340 E CB 0.986 30.735 29.700 0.081 0.000 1.093 340 E HN 0.241 nan 8.360 nan 0.000 0.401 341 I N 3.626 124.261 120.570 0.109 0.000 2.315 341 I HA 0.089 4.259 4.170 0.001 0.000 0.291 341 I C 0.654 176.626 176.117 -0.243 0.000 1.006 341 I CA -0.338 60.945 61.300 -0.029 0.000 1.265 341 I CB 0.754 38.732 38.000 -0.037 0.000 1.387 341 I HN 0.624 nan 8.210 nan 0.000 0.475 342 E N 7.565 127.631 120.200 -0.222 0.000 2.277 342 E HA 0.328 4.678 4.350 0.001 0.000 0.274 342 E C -1.005 175.373 176.600 -0.370 0.000 1.022 342 E CA -0.655 55.575 56.400 -0.283 0.000 0.853 342 E CB 1.303 30.899 29.700 -0.174 0.000 1.086 342 E HN 0.503 nan 8.360 nan 0.000 0.397 343 N N 4.326 122.775 118.700 -0.418 0.000 2.573 343 N HA 0.109 4.850 4.740 0.001 0.000 0.262 343 N C -0.043 175.302 175.510 -0.275 0.000 1.029 343 N CA -0.368 52.463 53.050 -0.366 0.000 0.882 343 N CB 1.426 39.623 38.487 -0.483 0.000 1.204 343 N HN 0.458 nan 8.380 nan 0.000 0.519 344 L N 0.942 122.036 121.223 -0.214 0.000 2.141 344 L HA -0.048 4.292 4.340 0.001 0.000 0.209 344 L C 1.477 178.205 176.870 -0.237 0.000 1.094 344 L CA 1.353 56.071 54.840 -0.203 0.000 0.763 344 L CB -0.707 41.257 42.059 -0.158 0.000 0.908 344 L HN 0.461 nan 8.230 nan 0.000 0.437 345 S N -1.760 113.830 115.700 -0.183 0.000 2.681 345 S HA 0.388 4.858 4.470 0.001 0.000 0.270 345 S C -0.005 174.451 174.600 -0.240 0.000 1.209 345 S CA -0.795 57.308 58.200 -0.162 0.000 0.988 345 S CB 0.223 63.453 63.200 0.051 0.000 1.006 345 S HN -0.016 nan 8.310 nan 0.000 0.558 346 F N 1.242 121.188 119.950 -0.006 0.000 2.506 346 F HA 0.322 4.850 4.527 0.001 0.000 0.351 346 F C 1.056 176.873 175.800 0.028 0.000 1.136 346 F CA -0.101 57.863 58.000 -0.061 0.000 1.298 346 F CB 0.415 39.259 39.000 -0.260 0.000 1.145 346 F HN 0.448 nan 8.300 nan 0.000 0.593 347 S N 1.137 116.944 115.700 0.179 0.000 2.449 347 S HA 0.328 4.798 4.470 0.001 0.000 0.310 347 S C -0.347 174.336 174.600 0.138 0.000 1.096 347 S CA -0.890 57.403 58.200 0.156 0.000 1.095 347 S CB 1.580 64.887 63.200 0.179 0.000 1.007 347 S HN 0.560 nan 8.310 nan 0.000 0.474 348 S N 2.071 117.837 115.700 0.110 0.000 2.548 348 S HA 0.547 5.018 4.470 0.001 0.000 0.277 348 S C 0.004 174.620 174.600 0.027 0.000 1.315 348 S CA 0.018 58.243 58.200 0.042 0.000 1.050 348 S CB 0.442 63.637 63.200 -0.008 0.000 0.918 348 S HN 0.718 nan 8.310 nan 0.000 0.497 349 T N 2.401 116.953 114.554 -0.003 0.000 2.896 349 T HA 0.625 4.976 4.350 0.001 0.000 0.297 349 T C -1.094 173.597 174.700 -0.015 0.000 1.108 349 T CA -0.515 61.582 62.100 -0.006 0.000 1.004 349 T CB 1.789 70.644 68.868 -0.021 0.000 1.159 349 T HN 0.529 nan 8.240 nan 0.000 0.499 350 S N 0.773 116.495 115.700 0.037 0.000 2.595 350 S HA 0.540 5.010 4.470 0.001 0.000 0.281 350 S C 0.190 174.880 174.600 0.151 0.000 1.117 350 S CA -0.624 57.611 58.200 0.059 0.000 0.873 350 S CB 1.214 64.458 63.200 0.074 0.000 1.108 350 S HN 0.438 nan 8.310 nan 0.000 0.477 351 L N 2.177 123.499 121.223 0.165 0.000 2.291 351 L HA 0.311 4.652 4.340 0.001 0.000 0.214 351 L C 0.815 177.865 176.870 0.299 0.000 1.120 351 L CA 1.520 56.505 54.840 0.241 0.000 0.799 351 L CB -0.657 41.530 42.059 0.214 0.000 0.925 351 L HN 0.578 nan 8.230 nan 0.000 0.446 352 K N -0.948 119.569 120.400 0.195 0.000 2.201 352 K HA 0.139 4.460 4.320 0.001 0.000 0.278 352 K C 1.388 177.983 176.600 -0.009 0.000 1.027 352 K CA 0.333 56.675 56.287 0.091 0.000 0.909 352 K CB 1.349 33.892 32.500 0.071 0.000 1.062 352 K HN 0.057 nan 8.250 nan 0.000 0.465 353 S N 1.048 116.549 115.700 -0.331 0.000 2.406 353 S HA -0.068 4.403 4.470 0.001 0.000 0.228 353 S C 0.775 175.279 174.600 -0.161 0.000 1.020 353 S CA 0.626 58.424 58.200 -0.670 0.000 0.965 353 S CB 0.122 62.727 63.200 -0.992 0.000 0.798 353 S HN 0.549 nan 8.310 nan 0.000 0.488 354 T N 3.281 117.789 114.554 -0.077 0.000 3.542 354 T HA 0.411 4.762 4.350 0.001 0.000 0.276 354 T C -3.131 171.599 174.700 0.050 0.000 1.412 354 T CA -1.261 60.845 62.100 0.009 0.000 1.664 354 T CB 1.204 70.057 68.868 -0.025 0.000 0.863 354 T HN 0.176 nan 8.240 nan 0.000 0.661 355 P HA 0.107 nan 4.420 nan 0.000 0.267 355 P C 1.151 178.500 177.300 0.082 0.000 1.209 355 P CA 0.050 63.233 63.100 0.138 0.000 0.763 355 P CB 0.754 32.630 31.700 0.294 0.000 0.816 356 S N 1.188 116.880 115.700 -0.013 0.000 2.442 356 S HA -0.138 4.333 4.470 0.001 0.000 0.236 356 S C 1.685 176.195 174.600 -0.150 0.000 1.007 356 S CA 1.182 59.347 58.200 -0.058 0.000 0.965 356 S CB -0.972 62.194 63.200 -0.056 0.000 0.773 356 S HN 0.339 nan 8.310 nan 0.000 0.504 357 S N 0.945 116.464 115.700 -0.301 0.000 2.469 357 S HA 0.149 4.620 4.470 0.001 0.000 0.238 357 S C 0.394 174.517 174.600 -0.795 0.000 0.998 357 S CA 0.789 58.630 58.200 -0.597 0.000 0.957 357 S CB -0.398 62.299 63.200 -0.838 0.000 0.764 357 S HN 0.728 nan 8.310 nan 0.000 0.514 358 F N 0.626 120.580 119.950 0.007 0.000 2.791 358 F HA 0.244 4.772 4.527 0.001 0.000 0.308 358 F C 1.850 177.656 175.800 0.011 0.000 1.138 358 F CA -0.330 57.682 58.000 0.020 0.000 1.294 358 F CB -0.192 38.830 39.000 0.037 0.000 0.975 358 F HN 0.104 nan 8.300 nan 0.000 0.512 359 S N 0.178 115.913 115.700 0.058 0.000 2.419 359 S HA -0.172 4.299 4.470 0.001 0.000 0.233 359 S C 1.526 176.142 174.600 0.027 0.000 1.016 359 S CA 0.986 59.203 58.200 0.029 0.000 0.974 359 S CB -0.268 62.922 63.200 -0.017 0.000 0.786 359 S HN 0.449 nan 8.310 nan 0.000 0.492 360 K N 1.399 121.822 120.400 0.037 0.000 2.387 360 K HA 0.270 4.591 4.320 0.001 0.000 0.198 360 K C -0.319 176.320 176.600 0.065 0.000 1.022 360 K CA -0.094 56.211 56.287 0.031 0.000 1.128 360 K CB 0.347 32.859 32.500 0.019 0.000 0.853 360 K HN 0.196 nan 8.250 nan 0.000 0.523 361 S N 1.625 117.394 115.700 0.115 0.000 2.405 361 S HA 0.172 4.642 4.470 0.001 0.000 0.291 361 S C 0.806 175.446 174.600 0.066 0.000 1.137 361 S CA -0.256 58.033 58.200 0.148 0.000 1.061 361 S CB 0.745 64.068 63.200 0.205 0.000 1.001 361 S HN 0.241 nan 8.310 nan 0.000 0.507 362 R N 1.493 121.990 120.500 -0.006 0.000 2.280 362 R HA 0.066 4.407 4.340 0.001 0.000 0.207 362 R C -0.561 175.449 176.300 -0.483 0.000 1.043 362 R CA 0.788 56.727 56.100 -0.269 0.000 1.006 362 R CB 0.025 30.067 30.300 -0.429 0.000 0.885 362 R HN 0.467 nan 8.270 nan 0.000 0.467 363 F N 0.715 120.607 119.950 -0.097 0.000 2.347 363 F HA 0.375 4.902 4.527 0.001 0.000 0.366 363 F C -0.092 175.546 175.800 -0.269 0.000 1.107 363 F CA -0.871 56.984 58.000 -0.242 0.000 1.058 363 F CB 0.965 39.859 39.000 -0.178 0.000 1.236 363 F HN -0.221 nan 8.300 nan 0.000 0.456 364 I N 4.460 124.917 120.570 -0.188 0.000 2.347 364 I HA 0.224 4.394 4.170 0.001 0.000 0.283 364 I C -0.706 175.337 176.117 -0.124 0.000 1.058 364 I CA -0.531 60.700 61.300 -0.115 0.000 1.202 364 I CB 0.207 38.109 38.000 -0.164 0.000 1.386 364 I HN 0.319 nan 8.210 nan 0.000 0.475 365 F N 5.123 125.115 119.950 0.070 0.000 2.506 365 F HA 0.216 4.743 4.527 0.001 0.000 0.371 365 F C 1.087 176.835 175.800 -0.087 0.000 1.078 365 F CA -0.189 57.781 58.000 -0.049 0.000 1.195 365 F CB 0.311 39.185 39.000 -0.210 0.000 1.099 365 F HN 0.397 nan 8.300 nan 0.000 0.548 366 R N 4.522 125.052 120.500 0.050 0.000 2.278 366 R HA 0.430 4.771 4.340 0.001 0.000 0.322 366 R C -1.685 174.505 176.300 -0.184 0.000 1.058 366 R CA -0.695 55.305 56.100 -0.168 0.000 0.991 366 R CB 0.132 30.454 30.300 0.036 0.000 1.140 366 R HN 0.419 nan 8.270 nan 0.000 0.518 367 L N 4.312 125.346 121.223 -0.315 0.000 2.264 367 L HA 0.398 4.739 4.340 0.001 0.000 0.289 367 L C 0.449 177.211 176.870 -0.181 0.000 1.044 367 L CA -0.254 54.432 54.840 -0.257 0.000 0.807 367 L CB 1.181 43.001 42.059 -0.399 0.000 1.192 367 L HN 0.526 nan 8.230 nan 0.000 0.425 368 R N 4.391 124.863 120.500 -0.048 0.000 2.296 368 R HA 0.379 4.719 4.340 0.001 0.000 0.323 368 R C -1.071 175.207 176.300 -0.037 0.000 1.067 368 R CA -0.319 55.761 56.100 -0.033 0.000 0.946 368 R CB 0.199 30.516 30.300 0.028 0.000 0.991 368 R HN 0.562 nan 8.270 nan 0.000 0.448 369 L N 4.151 125.341 121.223 -0.055 0.000 2.265 369 L HA 0.312 4.653 4.340 0.001 0.000 0.289 369 L C 0.081 176.956 176.870 0.008 0.000 1.033 369 L CA -0.654 54.175 54.840 -0.018 0.000 0.814 369 L CB 1.738 43.781 42.059 -0.026 0.000 1.203 369 L HN 0.630 nan 8.230 nan 0.000 0.423 370 S N 1.488 117.201 115.700 0.021 0.000 2.585 370 S HA 0.066 4.536 4.470 0.001 0.000 0.273 370 S C 0.065 174.699 174.600 0.056 0.000 1.339 370 S CA -0.648 57.569 58.200 0.028 0.000 1.028 370 S CB 1.041 64.252 63.200 0.018 0.000 0.906 370 S HN 0.663 nan 8.310 nan 0.000 0.528 371 E N 0.500 120.737 120.200 0.061 0.000 2.529 371 E HA 0.232 4.583 4.350 0.001 0.000 0.259 371 E C 1.158 177.799 176.600 0.068 0.000 0.966 371 E CA 0.726 57.173 56.400 0.079 0.000 0.937 371 E CB -0.357 29.382 29.700 0.065 0.000 0.923 371 E HN 0.911 nan 8.360 nan 0.000 0.468 372 G N 2.384 111.234 108.800 0.084 0.000 2.175 372 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 372 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 372 G C 0.326 175.272 174.900 0.076 0.000 0.982 372 G CA -0.006 45.137 45.100 0.072 0.000 0.641 372 G HN 0.971 nan 8.290 nan 0.000 0.527 373 A N 1.049 123.920 122.820 0.085 0.000 2.531 373 A HA 0.502 4.823 4.320 0.001 0.000 0.236 373 A C 0.837 178.475 177.584 0.088 0.000 1.062 373 A CA 0.256 52.340 52.037 0.077 0.000 0.760 373 A CB 0.122 19.167 19.000 0.075 0.000 0.995 373 A HN 0.716 nan 8.150 nan 0.000 0.501 374 I N 2.512 123.126 120.570 0.073 0.000 2.421 374 I HA 0.469 4.640 4.170 0.001 0.000 0.291 374 I C 0.943 177.103 176.117 0.073 0.000 1.089 374 I CA 1.030 62.377 61.300 0.079 0.000 1.354 374 I CB -0.815 37.226 38.000 0.070 0.000 1.413 374 I HN 0.804 nan 8.210 nan 0.000 0.513 375 G N 4.274 113.115 108.800 0.067 0.000 2.322 375 G HA2 0.714 4.675 3.960 0.001 0.000 0.295 375 G HA3 0.714 4.675 3.960 0.001 0.000 0.295 375 G C -2.131 172.722 174.900 -0.079 0.000 1.369 375 G CA -0.099 45.005 45.100 0.006 0.000 0.821 375 G HN 0.790 nan 8.290 nan 0.000 0.536 376 A N -0.921 121.737 122.820 -0.271 0.000 2.594 376 A HA 0.678 4.999 4.320 0.001 0.000 0.296 376 A C -1.520 175.660 177.584 -0.673 0.000 1.061 376 A CA -0.607 50.980 52.037 -0.751 0.000 0.689 376 A CB 1.312 19.750 19.000 -0.938 0.000 1.280 376 A HN 1.881 nan 8.150 nan 0.000 0.406 377 F N 3.239 122.470 119.950 -1.199 0.000 2.504 377 F HA 0.428 4.955 4.527 0.001 0.000 0.369 377 F C 0.312 175.983 175.800 -0.215 0.000 1.082 377 F CA -0.691 57.038 58.000 -0.451 0.000 1.216 377 F CB 0.523 39.455 39.000 -0.113 0.000 1.108 377 F HN 0.386 nan 8.300 nan 0.000 0.554 378 I N 8.595 128.984 120.570 -0.302 0.000 2.349 378 I HA -0.043 4.127 4.170 0.001 0.000 0.302 378 I C -0.664 175.639 176.117 0.311 0.000 1.180 378 I CA 0.045 61.264 61.300 -0.133 0.000 1.405 378 I CB -1.584 36.097 38.000 -0.531 0.000 1.474 378 I HN 0.523 nan 8.210 nan 0.000 0.632 379 Y N 3.802 124.476 120.300 0.623 0.000 2.352 379 Y HA 0.587 5.138 4.550 0.001 0.000 0.339 379 Y C 1.172 177.322 175.900 0.417 0.000 0.992 379 Y CA -0.085 58.386 58.100 0.619 0.000 1.100 379 Y CB 1.807 40.627 38.460 0.600 0.000 1.192 379 Y HN 0.731 nan 8.280 nan 0.000 0.458 380 G N 3.926 112.535 108.800 -0.318 0.000 2.148 380 G HA2 -0.317 3.643 3.960 0.001 0.000 0.254 380 G HA3 -0.317 3.643 3.960 0.001 0.000 0.254 380 G C -0.434 174.364 174.900 -0.170 0.000 0.981 380 G CA -0.008 44.919 45.100 -0.289 0.000 0.670 380 G HN 0.497 nan 8.290 nan 0.000 0.528 381 F N 2.059 122.017 119.950 0.013 0.000 2.394 381 F HA 0.539 5.067 4.527 0.001 0.000 0.340 381 F C 1.395 177.298 175.800 0.171 0.000 1.105 381 F CA -0.169 57.865 58.000 0.057 0.000 1.124 381 F CB 1.472 40.411 39.000 -0.101 0.000 1.145 381 F HN 0.241 nan 8.300 nan 0.000 0.505 382 S N 1.486 117.404 115.700 0.363 0.000 2.525 382 S HA 0.408 4.878 4.470 0.001 0.000 0.285 382 S C 0.993 175.872 174.600 0.464 0.000 1.283 382 S CA -0.121 58.260 58.200 0.302 0.000 1.072 382 S CB 0.593 63.904 63.200 0.185 0.000 0.867 382 S HN 1.449 nan 8.310 nan 0.000 0.492 383 G N 1.931 110.913 108.800 0.304 0.000 2.159 383 G HA2 -0.246 3.715 3.960 0.001 0.000 0.256 383 G HA3 -0.246 3.715 3.960 0.001 0.000 0.256 383 G C -0.019 174.932 174.900 0.085 0.000 0.977 383 G CA 0.252 45.478 45.100 0.210 0.000 0.652 383 G HN 0.745 nan 8.290 nan 0.000 0.531 384 F N 1.212 121.234 119.950 0.119 0.000 2.698 384 F HA 0.318 4.845 4.527 0.001 0.000 0.304 384 F C 1.280 177.113 175.800 0.056 0.000 1.108 384 F CA -0.510 57.527 58.000 0.063 0.000 1.263 384 F CB 0.484 39.506 39.000 0.037 0.000 1.013 384 F HN 0.206 nan 8.300 nan 0.000 0.532 385 Q N 1.431 121.325 119.800 0.157 0.000 2.317 385 Q HA -0.002 4.339 4.340 0.001 0.000 0.286 385 Q C -0.221 175.824 176.000 0.074 0.000 1.198 385 Q CA 0.465 56.328 55.803 0.099 0.000 0.973 385 Q CB -0.250 28.528 28.738 0.066 0.000 1.207 385 Q HN 0.160 nan 8.270 nan 0.000 0.416 386 D N 2.383 122.845 120.400 0.104 0.000 3.026 386 D HA -0.176 4.464 4.640 0.001 0.000 0.248 386 D C -0.413 175.932 176.300 0.074 0.000 1.100 386 D CA 0.939 54.998 54.000 0.098 0.000 0.855 386 D CB -0.720 40.121 40.800 0.068 0.000 1.011 386 D HN 0.858 nan 8.370 nan 0.000 0.423 387 E N 0.001 120.253 120.200 0.086 0.000 2.617 387 E HA 0.094 4.444 4.350 0.001 0.000 0.208 387 E C 0.212 176.836 176.600 0.040 0.000 0.888 387 E CA -0.062 56.369 56.400 0.052 0.000 1.485 387 E CB 0.346 30.049 29.700 0.006 0.000 1.482 387 E HN 0.383 nan 8.360 nan 0.000 0.813 388 Q N 1.344 121.157 119.800 0.021 0.000 2.470 388 Q HA -0.214 4.126 4.340 0.001 0.000 0.294 388 Q C -0.465 175.306 176.000 -0.381 0.000 1.356 388 Q CA 0.771 56.525 55.803 -0.081 0.000 0.805 388 Q CB -1.546 27.335 28.738 0.238 0.000 1.157 388 Q HN 0.328 nan 8.270 nan 0.000 0.431 389 E N 0.848 120.751 120.200 -0.495 0.000 2.289 389 E HA 0.385 4.736 4.350 0.001 0.000 0.278 389 E C -0.580 175.713 176.600 -0.512 0.000 1.032 389 E CA -0.293 55.902 56.400 -0.341 0.000 0.854 389 E CB 0.691 30.320 29.700 -0.119 0.000 1.046 389 E HN 0.296 nan 8.360 nan 0.000 0.409 390 I N 5.374 125.792 120.570 -0.254 0.000 2.339 390 I HA 0.176 4.346 4.170 0.001 0.000 0.290 390 I C -0.632 175.406 176.117 -0.130 0.000 0.994 390 I CA -1.009 60.181 61.300 -0.182 0.000 1.191 390 I CB 1.278 39.238 38.000 -0.067 0.000 1.343 390 I HN 0.506 nan 8.210 nan 0.000 0.458 391 L N 8.271 129.400 121.223 -0.158 0.000 2.265 391 L HA 0.450 4.790 4.340 0.001 0.000 0.288 391 L C -0.587 176.258 176.870 -0.042 0.000 1.058 391 L CA 0.056 54.838 54.840 -0.097 0.000 0.809 391 L CB 0.572 42.530 42.059 -0.169 0.000 1.179 391 L HN 0.424 nan 8.230 nan 0.000 0.429 392 L N 4.312 125.555 121.223 0.034 0.000 2.334 392 L HA 0.372 4.713 4.340 0.001 0.000 0.277 392 L C 0.541 177.489 176.870 0.130 0.000 1.075 392 L CA -0.822 54.061 54.840 0.071 0.000 0.804 392 L CB 0.909 43.028 42.059 0.099 0.000 1.174 392 L HN 0.643 nan 8.230 nan 0.000 0.438 393 N N 2.599 121.372 118.700 0.122 0.000 2.283 393 N HA -0.079 4.662 4.740 0.001 0.000 0.236 393 N C -0.320 175.159 175.510 -0.051 0.000 1.252 393 N CA 0.103 53.243 53.050 0.151 0.000 0.856 393 N CB 0.538 39.068 38.487 0.072 0.000 1.099 393 N HN 0.536 nan 8.380 nan 0.000 0.444 394 K N 2.040 122.182 120.400 -0.431 0.000 2.455 394 K HA -0.077 4.244 4.320 0.001 0.000 0.269 394 K C -0.325 176.085 176.600 -0.317 0.000 0.972 394 K CA 0.014 55.926 56.287 -0.624 0.000 0.938 394 K CB 0.208 32.063 32.500 -1.075 0.000 0.931 394 K HN 0.618 nan 8.250 nan 0.000 0.507 395 N N -0.277 118.251 118.700 -0.286 0.000 2.735 395 N HA -0.148 4.593 4.740 0.001 0.000 0.248 395 N C -1.296 174.102 175.510 -0.186 0.000 1.083 395 N CA 1.109 54.030 53.050 -0.215 0.000 0.703 395 N CB -1.431 36.954 38.487 -0.169 0.000 1.005 395 N HN 0.569 nan 8.380 nan 0.000 0.550 396 S N 0.519 116.088 115.700 -0.219 0.000 2.452 396 S HA 0.338 4.808 4.470 0.001 0.000 0.284 396 S C 0.555 174.920 174.600 -0.390 0.000 1.171 396 S CA -0.293 57.792 58.200 -0.193 0.000 1.064 396 S CB 1.454 64.602 63.200 -0.088 0.000 0.967 396 S HN 0.121 nan 8.310 nan 0.000 0.484 397 T N 4.126 118.533 114.554 -0.246 0.000 2.875 397 T HA 0.449 4.800 4.350 0.001 0.000 0.284 397 T C -0.422 174.238 174.700 -0.067 0.000 0.995 397 T CA -0.237 61.704 62.100 -0.265 0.000 1.060 397 T CB 0.214 69.017 68.868 -0.109 0.000 0.967 397 T HN 0.426 nan 8.240 nan 0.000 0.476 398 F N 2.468 122.345 119.950 -0.121 0.000 2.361 398 F HA 0.419 4.946 4.527 0.001 0.000 0.364 398 F C 0.731 176.539 175.800 0.012 0.000 1.117 398 F CA -1.174 56.753 58.000 -0.122 0.000 1.071 398 F CB 1.173 39.946 39.000 -0.377 0.000 1.188 398 F HN 0.196 nan 8.300 nan 0.000 0.464 399 K N 5.794 126.352 120.400 0.265 0.000 2.264 399 K HA 0.455 4.776 4.320 0.001 0.000 0.277 399 K C -0.636 176.156 176.600 0.320 0.000 1.067 399 K CA -0.450 55.984 56.287 0.246 0.000 0.900 399 K CB 0.764 33.375 32.500 0.184 0.000 1.124 399 K HN 0.665 nan 8.250 nan 0.000 0.469 400 I N 6.414 127.177 120.570 0.321 0.000 2.416 400 I HA 0.076 4.247 4.170 0.001 0.000 0.288 400 I C 0.653 176.960 176.117 0.317 0.000 1.051 400 I CA -0.231 61.251 61.300 0.303 0.000 1.375 400 I CB 0.439 38.640 38.000 0.336 0.000 1.407 400 I HN 0.701 nan 8.210 nan 0.000 0.516 401 F N 4.517 124.577 119.950 0.184 0.000 2.789 401 F HA 0.490 5.017 4.527 0.001 0.000 0.320 401 F C 0.485 176.428 175.800 0.237 0.000 1.079 401 F CA -0.540 57.567 58.000 0.179 0.000 1.205 401 F CB 0.379 39.445 39.000 0.110 0.000 1.046 401 F HN 0.285 nan 8.300 nan 0.000 0.586 402 R N 1.130 121.491 120.500 -0.232 0.000 2.561 402 R HA 0.591 4.932 4.340 0.001 0.000 0.266 402 R C -2.273 173.998 176.300 -0.049 0.000 1.091 402 R CA -0.590 55.482 56.100 -0.046 0.000 0.927 402 R CB 1.947 32.266 30.300 0.032 0.000 1.240 402 R HN 0.262 nan 8.270 nan 0.000 0.449 403 I N 2.772 123.366 120.570 0.041 0.000 2.447 403 I HA 0.334 4.505 4.170 0.001 0.000 0.287 403 I C -0.676 175.452 176.117 0.018 0.000 1.023 403 I CA -0.699 60.626 61.300 0.042 0.000 1.083 403 I CB 2.496 40.576 38.000 0.134 0.000 1.245 403 I HN 0.497 nan 8.210 nan 0.000 0.434 404 T N 6.644 121.181 114.554 -0.028 0.000 2.815 404 T HA 0.381 4.731 4.350 0.001 0.000 0.289 404 T C -2.614 171.992 174.700 -0.157 0.000 1.000 404 T CA -1.485 60.597 62.100 -0.031 0.000 0.958 404 T CB 1.606 70.532 68.868 0.098 0.000 0.944 404 T HN 0.201 nan 8.240 nan 0.000 0.442 405 P HA 0.351 nan 4.420 nan 0.000 0.271 405 P C -0.477 176.708 177.300 -0.191 0.000 1.220 405 P CA -0.339 62.614 63.100 -0.245 0.000 0.768 405 P CB 0.288 31.869 31.700 -0.197 0.000 0.848 406 I N -1.484 118.948 120.570 -0.229 0.000 3.174 406 I HA 0.632 4.803 4.170 0.001 0.000 0.313 406 I C -0.877 175.148 176.117 -0.154 0.000 1.155 406 I CA -0.874 60.323 61.300 -0.171 0.000 0.977 406 I CB 2.490 40.374 38.000 -0.193 0.000 1.248 406 I HN -0.042 nan 8.210 nan 0.000 0.453 407 T N 1.995 116.478 114.554 -0.117 0.000 3.154 407 T HA 0.254 4.605 4.350 0.001 0.000 0.381 407 T C -0.113 174.518 174.700 -0.115 0.000 1.368 407 T CA -0.259 61.781 62.100 -0.099 0.000 1.155 407 T CB 0.345 69.177 68.868 -0.061 0.000 1.120 407 T HN 0.651 nan 8.240 nan 0.000 0.570 408 S N 2.879 118.512 115.700 -0.112 0.000 2.562 408 S HA 0.377 4.848 4.470 0.001 0.000 0.281 408 S C 0.233 174.773 174.600 -0.100 0.000 1.333 408 S CA -0.545 57.590 58.200 -0.107 0.000 1.052 408 S CB -0.056 63.094 63.200 -0.083 0.000 0.884 408 S HN 0.503 nan 8.310 nan 0.000 0.506 409 I N 6.021 126.519 120.570 -0.119 0.000 2.331 409 I HA 0.271 4.442 4.170 0.001 0.000 0.292 409 I C 0.714 176.792 176.117 -0.065 0.000 0.998 409 I CA -0.046 61.201 61.300 -0.088 0.000 1.267 409 I CB 1.241 39.181 38.000 -0.099 0.000 1.386 409 I HN 0.706 nan 8.210 nan 0.000 0.476 410 I N 4.979 125.521 120.570 -0.046 0.000 2.685 410 I HA 0.069 4.240 4.170 0.001 0.000 0.251 410 I C 0.750 176.847 176.117 -0.033 0.000 1.102 410 I CA 0.498 61.775 61.300 -0.039 0.000 1.442 410 I CB -0.076 37.903 38.000 -0.034 0.000 1.194 410 I HN 0.778 nan 8.210 nan 0.000 0.448 411 N N -0.281 118.403 118.700 -0.027 0.000 3.506 411 N HA 0.194 4.934 4.740 0.001 0.000 0.331 411 N C 0.440 175.941 175.510 -0.015 0.000 1.631 411 N CA -0.776 52.261 53.050 -0.021 0.000 0.786 411 N CB 0.285 38.759 38.487 -0.022 0.000 2.023 411 N HN -0.172 nan 8.380 nan 0.000 0.621 412 R N -0.912 119.580 120.500 -0.013 0.000 2.139 412 R HA -0.005 4.336 4.340 0.001 0.000 0.243 412 R C 0.944 177.237 176.300 -0.011 0.000 1.145 412 R CA 1.595 57.689 56.100 -0.011 0.000 0.976 412 R CB -0.575 29.717 30.300 -0.013 0.000 0.866 412 R HN 0.294 nan 8.270 nan 0.000 0.449 413 V N 0.990 120.896 119.914 -0.013 0.000 3.346 413 V HA 0.125 4.245 4.120 0.001 0.000 0.309 413 V C -0.720 175.365 176.094 -0.014 0.000 1.457 413 V CA 0.336 62.629 62.300 -0.013 0.000 1.069 413 V CB 1.037 32.851 31.823 -0.014 0.000 0.944 413 V HN 0.231 nan 8.190 nan 0.000 0.449 414 T N 1.926 116.470 114.554 -0.016 0.000 2.937 414 T HA 0.485 4.836 4.350 0.001 0.000 0.297 414 T C -0.688 173.998 174.700 -0.023 0.000 0.991 414 T CA -0.528 61.560 62.100 -0.020 0.000 0.990 414 T CB 1.757 70.611 68.868 -0.024 0.000 0.991 414 T HN 0.247 nan 8.240 nan 0.000 0.440 415 K N 2.652 123.038 120.400 -0.023 0.000 2.238 415 K HA 0.827 5.147 4.320 0.001 0.000 0.239 415 K C -0.741 175.836 176.600 -0.039 0.000 0.987 415 K CA -1.079 55.189 56.287 -0.031 0.000 0.857 415 K CB 2.378 34.865 32.500 -0.021 0.000 1.154 415 K HN 0.497 nan 8.250 nan 0.000 0.439 416 M N 0.764 120.334 119.600 -0.050 0.000 2.365 416 M HA 0.186 4.667 4.480 0.001 0.000 0.288 416 M C -1.501 174.757 176.300 -0.070 0.000 1.152 416 M CA -0.378 54.889 55.300 -0.054 0.000 0.948 416 M CB 2.480 35.048 32.600 -0.053 0.000 1.729 416 M HN 0.537 nan 8.290 nan 0.000 0.487 417 T N 4.585 119.102 114.554 -0.062 0.000 2.834 417 T HA 0.339 4.690 4.350 0.001 0.000 0.298 417 T C -0.496 174.138 174.700 -0.109 0.000 0.966 417 T CA -0.091 61.957 62.100 -0.086 0.000 1.141 417 T CB 0.510 69.346 68.868 -0.053 0.000 0.905 417 T HN 0.600 nan 8.240 nan 0.000 0.535 418 Q N 1.061 120.734 119.800 -0.210 0.000 2.587 418 Q HA 0.748 5.089 4.340 0.001 0.000 0.293 418 Q C -1.036 174.689 176.000 -0.459 0.000 1.083 418 Q CA -1.259 54.368 55.803 -0.293 0.000 0.792 418 Q CB 2.410 31.007 28.738 -0.235 0.000 1.484 418 Q HN 0.567 nan 8.270 nan 0.000 0.446 419 V N -2.073 117.516 119.914 -0.542 0.000 2.588 419 V HA 0.594 4.714 4.120 0.001 0.000 0.304 419 V C -0.483 175.358 176.094 -0.422 0.000 1.042 419 V CA -0.883 61.104 62.300 -0.522 0.000 0.877 419 V CB 1.555 32.990 31.823 -0.647 0.000 0.996 419 V HN 0.497 nan 8.190 nan 0.000 0.425 420 V N 6.194 125.861 119.914 -0.412 0.000 2.385 420 V HA 0.417 4.538 4.120 0.001 0.000 0.269 420 V C 0.144 176.114 176.094 -0.206 0.000 1.043 420 V CA -0.036 62.007 62.300 -0.429 0.000 0.906 420 V CB 0.972 32.365 31.823 -0.716 0.000 0.995 420 V HN 0.792 nan 8.190 nan 0.000 0.467 421 I N 4.520 124.999 120.570 -0.150 0.000 2.347 421 I HA 0.293 4.464 4.170 0.001 0.000 0.283 421 I C -0.085 176.037 176.117 0.008 0.000 1.058 421 I CA -0.389 60.892 61.300 -0.031 0.000 1.202 421 I CB 0.851 38.838 38.000 -0.023 0.000 1.386 421 I HN 0.467 nan 8.210 nan 0.000 0.475 422 D N 6.465 126.774 120.400 -0.153 0.000 2.371 422 D HA 0.484 5.124 4.640 0.001 0.000 0.256 422 D C -0.129 175.919 176.300 -0.419 0.000 1.193 422 D CA 0.415 54.172 54.000 -0.404 0.000 0.881 422 D CB 1.661 41.913 40.800 -0.914 0.000 1.143 422 D HN 0.600 nan 8.370 nan 0.000 0.473 423 A N 3.033 125.834 122.820 -0.032 0.000 2.539 423 A HA 0.482 4.802 4.320 0.001 0.000 0.296 423 A C -0.645 177.123 177.584 0.308 0.000 1.073 423 A CA -0.804 51.365 52.037 0.220 0.000 0.700 423 A CB 1.537 20.644 19.000 0.178 0.000 1.296 423 A HN 0.430 nan 8.150 nan 0.000 0.405 424 E N 0.750 121.145 120.200 0.325 0.000 2.175 424 E HA 0.463 4.814 4.350 0.001 0.000 0.278 424 E C 0.298 176.988 176.600 0.149 0.000 0.969 424 E CA -0.626 55.881 56.400 0.178 0.000 0.796 424 E CB 1.679 31.438 29.700 0.099 0.000 1.104 424 E HN 0.790 nan 8.360 nan 0.000 0.395 425 G N 3.665 112.528 108.800 0.104 0.000 2.334 425 G HA2 0.278 4.239 3.960 0.001 0.000 0.261 425 G HA3 0.278 4.239 3.960 0.001 0.000 0.261 425 G C -0.189 174.773 174.900 0.104 0.000 1.257 425 G CA -0.138 45.056 45.100 0.155 0.000 0.935 425 G HN 0.425 nan 8.290 nan 0.000 0.480 426 I N 1.825 122.454 120.570 0.098 0.000 2.465 426 I HA 0.264 4.435 4.170 0.001 0.000 0.291 426 I C -0.356 175.771 176.117 0.016 0.000 1.014 426 I CA -0.551 60.777 61.300 0.046 0.000 1.093 426 I CB 2.281 40.305 38.000 0.039 0.000 1.267 426 I HN 0.384 nan 8.210 nan 0.000 0.431 427 Q N 5.683 125.488 119.800 0.008 0.000 2.401 427 Q HA 0.377 4.718 4.340 0.001 0.000 0.260 427 Q C -1.158 174.833 176.000 -0.014 0.000 1.034 427 Q CA -0.585 55.212 55.803 -0.010 0.000 0.737 427 Q CB 1.503 30.242 28.738 0.002 0.000 1.227 427 Q HN 0.603 nan 8.270 nan 0.000 0.488 428 N N 2.304 120.987 118.700 -0.028 0.000 2.509 428 N HA 0.443 5.184 4.740 0.001 0.000 0.287 428 N C -0.942 174.545 175.510 -0.038 0.000 1.121 428 N CA -0.697 52.336 53.050 -0.027 0.000 0.977 428 N CB 1.195 39.664 38.487 -0.030 0.000 1.167 428 N HN 0.248 nan 8.380 nan 0.000 0.476 429 K N 0.425 120.806 120.400 -0.031 0.000 2.477 429 K HA 0.511 4.831 4.320 0.001 0.000 0.255 429 K C -1.204 175.377 176.600 -0.031 0.000 0.952 429 K CA -0.848 55.420 56.287 -0.032 0.000 0.826 429 K CB 2.395 34.887 32.500 -0.013 0.000 1.331 429 K HN 0.427 nan 8.250 nan 0.000 0.437 430 E N 1.770 121.949 120.200 -0.036 0.000 2.317 430 E HA 0.563 4.913 4.350 0.001 0.000 0.270 430 E C -1.156 175.441 176.600 -0.006 0.000 0.885 430 E CA -0.699 55.686 56.400 -0.025 0.000 0.760 430 E CB 1.247 30.925 29.700 -0.038 0.000 1.227 430 E HN 0.520 nan 8.360 nan 0.000 0.434 431 I N 0.000 120.575 120.570 0.008 0.000 2.984 431 I HA 0.000 4.171 4.170 0.001 0.000 0.288 431 I CA 0.000 61.315 61.300 0.026 0.000 1.566 431 I CB 0.000 38.016 38.000 0.027 0.000 1.214 431 I HN 0.000 nan 8.210 nan 0.000 0.494