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 2oq7_1_B DATA FIRST_RESID 7 DATA SEQUENCE TLNPSARIMT FYPTMEEFRN FSRYIAYIES QGAHRAGLAK VVPPKEWKPR DATA SEQUENCE ASYDDIDDLV IPAPIQQLVT GQSGLFTQYN IQKKAMTVRE FRKIANSDKY DATA SEQUENCE CTPRYSEFEE LERKYWKNLT FNPPIYGADV NGTLYEKHVD EWNIGRLRTI DATA SEQUENCE LDLVEKESGI TIEGVNTPYL YFGMWKTSFA WHTEDMDLYS INYLHFGEPK DATA SEQUENCE SWYSVPPEHG KRLERLAKGF FPGSAQSCEA FLRHKMTLIS PLMLKKYGIP DATA SEQUENCE FDKVTQEAGE FMITFPYGYH AGFNHGFNCA ESTNFATRRW IEYGKQAVLC DATA SEQUENCE SCRKDMVKIS MDVFVRKFQP ERYKLWKAGK DNTVIDHTLP TPEAAEF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.697 174.700 -0.005 0.000 1.109 7 T CA 0.000 62.102 62.100 0.003 0.000 1.349 7 T CB 0.000 68.874 68.868 0.009 0.000 0.612 8 L N 3.149 124.367 121.223 -0.008 0.000 2.313 8 L HA 0.445 4.785 4.340 0.001 0.000 0.282 8 L C 0.613 177.451 176.870 -0.053 0.000 1.092 8 L CA -0.451 54.377 54.840 -0.020 0.000 0.831 8 L CB 0.716 42.772 42.059 -0.005 0.000 1.159 8 L HN 0.535 nan 8.230 nan 0.000 0.442 9 N N 2.979 121.651 118.700 -0.047 0.000 2.696 9 N HA -0.132 4.608 4.740 0.001 0.000 0.256 9 N C -1.690 173.788 175.510 -0.055 0.000 1.031 9 N CA 0.264 53.278 53.050 -0.059 0.000 0.730 9 N CB -0.243 38.189 38.487 -0.093 0.000 0.894 9 N HN 0.375 nan 8.380 nan 0.000 0.544 10 P HA -0.116 nan 4.420 nan 0.000 0.219 10 P C 1.147 178.442 177.300 -0.010 0.000 1.146 10 P CA 1.665 64.754 63.100 -0.018 0.000 0.808 10 P CB -0.214 31.482 31.700 -0.007 0.000 0.779 11 S N -0.991 114.699 115.700 -0.016 0.000 2.603 11 S HA 0.326 4.796 4.470 0.001 0.000 0.220 11 S C 1.330 175.926 174.600 -0.008 0.000 0.967 11 S CA 0.333 58.527 58.200 -0.010 0.000 0.920 11 S CB -1.043 62.148 63.200 -0.015 0.000 0.773 11 S HN 0.236 nan 8.310 nan 0.000 0.529 12 A N 0.758 123.565 122.820 -0.022 0.000 2.799 12 A HA -0.185 4.136 4.320 0.001 0.000 0.287 12 A C 0.450 178.026 177.584 -0.014 0.000 1.484 12 A CA 0.773 52.793 52.037 -0.028 0.000 0.813 12 A CB -1.682 17.327 19.000 0.014 0.000 1.009 12 A HN 0.469 nan 8.150 nan 0.000 0.545 13 R N -0.717 119.769 120.500 -0.023 0.000 2.500 13 R HA 0.600 4.940 4.340 0.001 0.000 0.275 13 R C 0.500 176.789 176.300 -0.018 0.000 1.051 13 R CA -1.049 55.042 56.100 -0.015 0.000 1.088 13 R CB 0.235 30.521 30.300 -0.024 0.000 1.063 13 R HN 0.507 nan 8.270 nan 0.000 0.511 14 I N 3.230 123.799 120.570 -0.001 0.000 2.533 14 I HA 0.025 4.196 4.170 0.001 0.000 0.284 14 I C 0.704 176.792 176.117 -0.049 0.000 1.109 14 I CA 0.700 62.000 61.300 0.001 0.000 1.412 14 I CB 0.306 38.313 38.000 0.013 0.000 1.396 14 I HN 0.197 nan 8.210 nan 0.000 0.543 15 M N 5.246 124.808 119.600 -0.063 0.000 2.578 15 M HA 0.451 4.931 4.480 0.001 0.000 0.321 15 M C -0.449 175.653 176.300 -0.329 0.000 1.182 15 M CA -0.521 54.636 55.300 -0.238 0.000 0.965 15 M CB 2.061 34.473 32.600 -0.312 0.000 1.694 15 M HN 0.427 nan 8.290 nan 0.000 0.461 16 T N 1.837 116.091 114.554 -0.500 0.000 2.829 16 T HA 0.743 5.094 4.350 0.001 0.000 0.280 16 T C -1.123 173.199 174.700 -0.631 0.000 0.999 16 T CA -0.416 61.450 62.100 -0.390 0.000 0.983 16 T CB 0.868 69.631 68.868 -0.175 0.000 0.968 16 T HN 0.321 nan 8.240 nan 0.000 0.446 17 F N 1.051 120.983 119.950 -0.030 0.000 2.577 17 F HA 0.542 5.069 4.527 0.001 0.000 0.318 17 F C -0.769 174.929 175.800 -0.170 0.000 1.065 17 F CA -1.129 56.944 58.000 0.122 0.000 0.929 17 F CB 1.708 40.902 39.000 0.323 0.000 1.237 17 F HN 0.504 nan 8.300 nan 0.000 0.468 18 Y N 2.077 122.521 120.300 0.238 0.000 2.658 18 Y HA 0.333 4.883 4.550 0.001 0.000 0.362 18 Y C -2.316 173.579 175.900 -0.008 0.000 1.017 18 Y CA -2.575 55.554 58.100 0.048 0.000 1.134 18 Y CB -0.113 38.358 38.460 0.017 0.000 1.144 18 Y HN 0.234 nan 8.280 nan 0.000 0.655 19 P HA 0.048 nan 4.420 nan 0.000 0.268 19 P C 0.374 177.572 177.300 -0.170 0.000 1.205 19 P CA 0.030 63.017 63.100 -0.187 0.000 0.771 19 P CB 1.094 32.424 31.700 -0.617 0.000 0.858 20 T N -0.618 113.884 114.554 -0.085 0.000 2.766 20 T HA 0.092 4.442 4.350 0.001 0.000 0.295 20 T C 1.327 175.976 174.700 -0.084 0.000 1.024 20 T CA -0.528 61.528 62.100 -0.074 0.000 1.018 20 T CB 0.311 69.165 68.868 -0.023 0.000 1.002 20 T HN 0.221 nan 8.240 nan 0.000 0.532 21 M N 1.623 121.193 119.600 -0.050 0.000 2.108 21 M HA -0.006 4.474 4.480 0.001 0.000 0.261 21 M C 2.635 178.975 176.300 0.066 0.000 1.066 21 M CA 2.549 57.856 55.300 0.012 0.000 1.107 21 M CB -1.532 31.091 32.600 0.039 0.000 1.356 21 M HN 0.981 nan 8.290 nan 0.000 0.406 22 E N -0.034 120.191 120.200 0.042 0.000 2.085 22 E HA -0.249 4.101 4.350 0.001 0.000 0.194 22 E C 1.830 178.466 176.600 0.059 0.000 0.994 22 E CA 1.985 58.415 56.400 0.050 0.000 0.801 22 E CB -1.231 28.491 29.700 0.037 0.000 0.743 22 E HN 0.833 nan 8.360 nan 0.000 0.453 23 E N -1.281 118.945 120.200 0.044 0.000 2.150 23 E HA 0.004 4.355 4.350 0.001 0.000 0.193 23 E C 1.842 178.475 176.600 0.054 0.000 0.985 23 E CA 0.811 57.248 56.400 0.063 0.000 0.814 23 E CB -0.176 29.549 29.700 0.043 0.000 0.752 23 E HN 0.541 nan 8.360 nan 0.000 0.466 24 F N 1.866 121.694 119.950 -0.204 0.000 2.293 24 F HA -0.058 4.470 4.527 0.001 0.000 0.300 24 F C 1.982 177.806 175.800 0.040 0.000 1.086 24 F CA 1.069 58.908 58.000 -0.269 0.000 1.375 24 F CB 0.127 38.831 39.000 -0.495 0.000 1.045 24 F HN -0.166 nan 8.300 nan 0.000 0.516 25 R N -0.399 120.147 120.500 0.077 0.000 2.081 25 R HA -0.149 4.192 4.340 0.001 0.000 0.235 25 R C 0.550 176.857 176.300 0.013 0.000 1.131 25 R CA 1.057 57.186 56.100 0.049 0.000 0.960 25 R CB -0.763 29.580 30.300 0.072 0.000 0.856 25 R HN 0.126 nan 8.270 nan 0.000 0.436 26 N N 0.859 119.576 118.700 0.029 0.000 2.500 26 N HA -0.032 4.708 4.740 0.001 0.000 0.236 26 N C 0.265 175.741 175.510 -0.055 0.000 1.022 26 N CA -0.121 52.925 53.050 -0.006 0.000 0.935 26 N CB 0.584 39.083 38.487 0.020 0.000 1.147 26 N HN -0.042 nan 8.380 nan 0.000 0.512 27 F N 3.714 123.436 119.950 -0.379 0.000 2.051 27 F HA -0.213 4.315 4.527 0.001 0.000 0.296 27 F C 2.389 177.859 175.800 -0.550 0.000 1.122 27 F CA 2.182 59.716 58.000 -0.776 0.000 1.201 27 F CB -0.449 37.866 39.000 -1.141 0.000 0.978 27 F HN 0.554 nan 8.300 nan 0.000 0.472 28 S N 0.506 115.906 115.700 -0.499 0.000 2.383 28 S HA -0.235 4.236 4.470 0.001 0.000 0.227 28 S C 2.276 176.690 174.600 -0.310 0.000 1.026 28 S CA 1.055 58.962 58.200 -0.487 0.000 0.981 28 S CB -0.868 62.206 63.200 -0.210 0.000 0.818 28 S HN 0.588 nan 8.310 nan 0.000 0.472 29 R N -0.463 119.950 120.500 -0.144 0.000 2.096 29 R HA -0.112 4.229 4.340 0.001 0.000 0.235 29 R C 2.196 178.532 176.300 0.060 0.000 1.127 29 R CA 1.382 57.503 56.100 0.034 0.000 0.968 29 R CB -0.524 29.839 30.300 0.104 0.000 0.861 29 R HN 0.539 nan 8.270 nan 0.000 0.440 30 Y N 0.695 120.896 120.300 -0.165 0.000 2.314 30 Y HA -0.101 4.449 4.550 0.001 0.000 0.293 30 Y C 1.963 177.722 175.900 -0.234 0.000 1.129 30 Y CA 1.075 59.090 58.100 -0.141 0.000 1.201 30 Y CB 0.134 38.576 38.460 -0.030 0.000 0.999 30 Y HN 0.035 nan 8.280 nan 0.000 0.541 31 I N -0.150 120.175 120.570 -0.408 0.000 2.286 31 I HA -0.284 3.886 4.170 0.001 0.000 0.248 31 I C 2.554 178.529 176.117 -0.236 0.000 1.115 31 I CA 1.507 62.565 61.300 -0.403 0.000 1.392 31 I CB -1.837 35.781 38.000 -0.637 0.000 1.065 31 I HN 0.286 nan 8.210 nan 0.000 0.418 32 A N 0.111 122.835 122.820 -0.160 0.000 1.930 32 A HA -0.266 4.054 4.320 0.001 0.000 0.217 32 A C 2.353 179.903 177.584 -0.056 0.000 1.175 32 A CA 1.292 53.316 52.037 -0.021 0.000 0.627 32 A CB -1.031 18.037 19.000 0.113 0.000 0.815 32 A HN 0.454 nan 8.150 nan 0.000 0.443 33 Y N 1.647 121.702 120.300 -0.408 0.000 2.070 33 Y HA -0.279 4.272 4.550 0.001 0.000 0.280 33 Y C 2.166 177.614 175.900 -0.753 0.000 1.148 33 Y CA 2.137 59.656 58.100 -0.969 0.000 1.125 33 Y CB -0.470 37.136 38.460 -1.424 0.000 0.975 33 Y HN 0.433 nan 8.280 nan 0.000 0.492 34 I N -1.228 118.728 120.570 -1.023 0.000 2.208 34 I HA -0.261 3.909 4.170 0.001 0.000 0.245 34 I C 1.878 177.696 176.117 -0.499 0.000 1.097 34 I CA 2.176 62.817 61.300 -1.098 0.000 1.363 34 I CB -0.757 36.603 38.000 -1.067 0.000 1.051 34 I HN 0.304 nan 8.210 nan 0.000 0.413 35 E N 1.730 121.772 120.200 -0.263 0.000 2.160 35 E HA -0.205 4.146 4.350 0.001 0.000 0.195 35 E C 2.418 178.962 176.600 -0.094 0.000 0.991 35 E CA 1.836 58.169 56.400 -0.112 0.000 0.810 35 E CB -0.188 29.378 29.700 -0.224 0.000 0.742 35 E HN 0.794 nan 8.360 nan 0.000 0.466 36 S N 0.628 116.201 115.700 -0.213 0.000 2.447 36 S HA -0.107 4.364 4.470 0.001 0.000 0.233 36 S C 1.720 176.212 174.600 -0.181 0.000 1.006 36 S CA 0.648 58.763 58.200 -0.142 0.000 0.957 36 S CB 0.085 63.240 63.200 -0.074 0.000 0.773 36 S HN 0.130 nan 8.310 nan 0.000 0.507 37 Q N 0.462 120.079 119.800 -0.305 0.000 2.360 37 Q HA 0.261 4.601 4.340 0.001 0.000 0.202 37 Q C 1.373 177.347 176.000 -0.043 0.000 0.915 37 Q CA 0.639 56.335 55.803 -0.179 0.000 0.943 37 Q CB 0.299 28.926 28.738 -0.184 0.000 1.064 37 Q HN 0.814 nan 8.270 nan 0.000 0.511 38 G N 0.547 109.339 108.800 -0.013 0.000 2.141 38 G HA2 -0.338 3.623 3.960 0.001 0.000 0.242 38 G HA3 -0.338 3.623 3.960 0.001 0.000 0.242 38 G C 0.983 175.754 174.900 -0.216 0.000 0.982 38 G CA 0.528 45.573 45.100 -0.092 0.000 0.662 38 G HN 0.456 nan 8.290 nan 0.000 0.527 39 A N 0.796 123.586 122.820 -0.050 0.000 1.933 39 A HA -0.036 4.285 4.320 0.001 0.000 0.218 39 A C 2.087 179.347 177.584 -0.540 0.000 1.175 39 A CA 2.251 54.249 52.037 -0.065 0.000 0.628 39 A CB -0.780 18.361 19.000 0.235 0.000 0.814 39 A HN 1.295 nan 8.150 nan 0.000 0.444 40 H N -0.296 118.176 119.070 -0.997 0.000 2.457 40 H HA -0.085 4.471 4.556 0.001 0.000 0.297 40 H C 1.793 176.779 175.328 -0.572 0.000 1.092 40 H CA 1.470 56.674 56.048 -1.407 0.000 1.309 40 H CB -0.561 28.706 29.762 -0.825 0.000 1.382 40 H HN 0.541 nan 8.280 nan 0.000 0.535 41 R N 0.723 120.737 120.500 -0.810 0.000 2.120 41 R HA 0.054 4.395 4.340 0.001 0.000 0.234 41 R C 2.567 178.751 176.300 -0.194 0.000 1.123 41 R CA 1.057 56.896 56.100 -0.435 0.000 0.975 41 R CB -0.148 29.918 30.300 -0.390 0.000 0.866 41 R HN 0.423 nan 8.270 nan 0.000 0.446 42 A N 0.095 122.815 122.820 -0.166 0.000 2.119 42 A HA 0.098 4.419 4.320 0.001 0.000 0.217 42 A C 1.750 179.374 177.584 0.066 0.000 1.153 42 A CA 1.152 53.178 52.037 -0.017 0.000 0.692 42 A CB -0.319 18.686 19.000 0.007 0.000 0.799 42 A HN 0.474 nan 8.150 nan 0.000 0.458 43 G N -2.588 106.235 108.800 0.039 0.000 2.205 43 G HA2 -0.157 3.803 3.960 0.001 0.000 0.261 43 G HA3 -0.157 3.803 3.960 0.001 0.000 0.261 43 G C -0.023 175.113 174.900 0.394 0.000 0.980 43 G CA 0.669 45.892 45.100 0.205 0.000 0.632 43 G HN 1.358 nan 8.290 nan 0.000 0.533 44 L N -0.207 121.224 121.223 0.348 0.000 2.526 44 L HA 0.865 5.206 4.340 0.001 0.000 0.263 44 L C -0.514 176.524 176.870 0.279 0.000 0.943 44 L CA -0.048 54.941 54.840 0.248 0.000 0.859 44 L CB 1.786 43.895 42.059 0.084 0.000 1.313 44 L HN 1.237 nan 8.230 nan 0.000 0.406 45 A N 4.003 126.996 122.820 0.288 0.000 2.498 45 A HA 0.772 5.092 4.320 0.001 0.000 0.298 45 A C -1.517 176.137 177.584 0.117 0.000 1.075 45 A CA -0.733 51.479 52.037 0.292 0.000 0.714 45 A CB 1.709 21.083 19.000 0.624 0.000 1.299 45 A HN 0.666 nan 8.150 nan 0.000 0.407 46 K N 1.217 121.673 120.400 0.092 0.000 2.182 46 K HA 0.666 4.987 4.320 0.001 0.000 0.262 46 K C -1.648 175.041 176.600 0.148 0.000 0.957 46 K CA -0.386 55.920 56.287 0.032 0.000 0.842 46 K CB 1.513 33.956 32.500 -0.094 0.000 1.099 46 K HN 0.423 nan 8.250 nan 0.000 0.438 47 V N 4.682 124.687 119.914 0.152 0.000 2.407 47 V HA 0.226 4.346 4.120 0.001 0.000 0.291 47 V C -0.592 175.476 176.094 -0.042 0.000 1.018 47 V CA -1.013 61.350 62.300 0.105 0.000 0.842 47 V CB 1.588 33.504 31.823 0.154 0.000 0.996 47 V HN 0.548 nan 8.190 nan 0.000 0.426 48 V N 8.281 128.028 119.914 -0.277 0.000 2.408 48 V HA 0.307 4.427 4.120 0.001 0.000 0.267 48 V C -1.730 174.160 176.094 -0.340 0.000 1.047 48 V CA -1.449 60.672 62.300 -0.298 0.000 0.937 48 V CB 1.237 32.741 31.823 -0.531 0.000 0.999 48 V HN 0.701 nan 8.190 nan 0.000 0.472 49 P HA 0.291 nan 4.420 nan 0.000 0.274 49 P C -2.747 174.259 177.300 -0.490 0.000 1.237 49 P CA -1.963 60.653 63.100 -0.806 0.000 0.793 49 P CB -0.078 31.211 31.700 -0.686 0.000 0.977 50 P HA -0.030 nan 4.420 nan 0.000 0.262 50 P C 1.041 178.302 177.300 -0.065 0.000 1.182 50 P CA 0.214 63.157 63.100 -0.262 0.000 0.761 50 P CB 0.035 31.576 31.700 -0.266 0.000 0.795 51 K N 2.110 122.499 120.400 -0.017 0.000 2.189 51 K HA -0.230 4.090 4.320 0.001 0.000 0.207 51 K C 1.570 178.195 176.600 0.042 0.000 1.046 51 K CA 1.979 58.281 56.287 0.025 0.000 0.928 51 K CB -0.908 31.604 32.500 0.019 0.000 0.720 51 K HN 0.660 nan 8.250 nan 0.000 0.458 52 E N -1.423 118.802 120.200 0.042 0.000 2.152 52 E HA -0.050 4.301 4.350 0.001 0.000 0.192 52 E C 0.684 177.344 176.600 0.099 0.000 0.983 52 E CA 0.527 56.961 56.400 0.057 0.000 0.818 52 E CB -0.140 29.593 29.700 0.055 0.000 0.758 52 E HN 0.631 nan 8.360 nan 0.000 0.467 53 W N 3.466 124.721 121.300 -0.075 0.000 2.345 53 W HA 0.141 4.802 4.660 0.001 0.000 0.308 53 W C -0.225 176.284 176.519 -0.017 0.000 1.273 53 W CA -0.649 56.671 57.345 -0.042 0.000 1.243 53 W CB 0.522 29.920 29.460 -0.104 0.000 1.260 53 W HN -0.233 nan 8.180 nan 0.000 0.509 54 K N 7.430 127.496 120.400 -0.558 0.000 2.316 54 K HA 0.458 4.779 4.320 0.001 0.000 0.251 54 K C -2.331 173.605 176.600 -1.107 0.000 0.934 54 K CA -1.587 54.287 56.287 -0.688 0.000 0.802 54 K CB 2.634 34.967 32.500 -0.279 0.000 1.171 54 K HN 0.223 nan 8.250 nan 0.000 0.426 55 P HA -0.011 nan 4.420 nan 0.000 0.235 55 P C -0.431 176.579 177.300 -0.483 0.000 1.177 55 P CA 0.479 63.019 63.100 -0.933 0.000 0.785 55 P CB 0.569 31.508 31.700 -1.269 0.000 0.885 56 R N -1.018 119.245 120.500 -0.395 0.000 2.535 56 R HA 0.522 4.863 4.340 0.001 0.000 0.274 56 R C 0.667 176.751 176.300 -0.359 0.000 1.090 56 R CA -0.186 55.694 56.100 -0.368 0.000 0.930 56 R CB 1.477 31.456 30.300 -0.535 0.000 1.223 56 R HN -0.199 nan 8.270 nan 0.000 0.441 57 A N 2.295 124.957 122.820 -0.262 0.000 1.851 57 A HA -0.083 4.237 4.320 0.001 0.000 0.216 57 A C 0.644 178.103 177.584 -0.208 0.000 1.195 57 A CA 1.944 53.867 52.037 -0.190 0.000 0.622 57 A CB -0.249 18.675 19.000 -0.127 0.000 0.831 57 A HN 0.703 nan 8.150 nan 0.000 0.444 58 S N -3.470 112.063 115.700 -0.278 0.000 2.549 58 S HA 0.618 5.088 4.470 0.001 0.000 0.280 58 S C -0.461 173.906 174.600 -0.389 0.000 1.109 58 S CA -0.568 57.492 58.200 -0.234 0.000 0.905 58 S CB 0.880 64.018 63.200 -0.104 0.000 1.081 58 S HN 0.258 nan 8.310 nan 0.000 0.477 59 Y N 0.460 120.725 120.300 -0.058 0.000 2.571 59 Y HA 0.303 4.854 4.550 0.001 0.000 0.275 59 Y C 0.528 176.354 175.900 -0.122 0.000 1.179 59 Y CA -0.508 57.534 58.100 -0.097 0.000 1.242 59 Y CB 0.289 38.615 38.460 -0.223 0.000 1.126 59 Y HN 0.598 nan 8.280 nan 0.000 0.524 60 D N 0.215 120.617 120.400 0.003 0.000 2.370 60 D HA -0.023 4.617 4.640 0.001 0.000 0.230 60 D C 0.440 176.738 176.300 -0.003 0.000 1.143 60 D CA 0.483 54.480 54.000 -0.005 0.000 0.834 60 D CB -0.004 40.790 40.800 -0.010 0.000 0.944 60 D HN 0.532 nan 8.370 nan 0.000 0.504 61 D N -0.064 120.337 120.400 0.002 0.000 2.620 61 D HA 0.005 4.646 4.640 0.001 0.000 0.260 61 D C 1.071 177.386 176.300 0.026 0.000 1.367 61 D CA -0.272 53.730 54.000 0.003 0.000 0.805 61 D CB -0.708 40.081 40.800 -0.017 0.000 1.096 61 D HN 0.350 nan 8.370 nan 0.000 0.488 62 I N -3.762 116.842 120.570 0.057 0.000 4.009 62 I HA 0.299 4.470 4.170 0.001 0.000 0.331 62 I C 0.425 176.579 176.117 0.063 0.000 1.462 62 I CA -0.407 60.945 61.300 0.087 0.000 1.117 62 I CB 0.500 38.611 38.000 0.185 0.000 1.091 62 I HN -0.357 nan 8.210 nan 0.000 0.410 63 D N 2.404 122.827 120.400 0.039 0.000 2.190 63 D HA -0.190 4.450 4.640 0.001 0.000 0.200 63 D C 0.943 177.241 176.300 -0.003 0.000 0.992 63 D CA 1.509 55.521 54.000 0.019 0.000 0.854 63 D CB 0.085 40.891 40.800 0.009 0.000 0.936 63 D HN 0.508 nan 8.370 nan 0.000 0.462 64 D N 0.166 120.566 120.400 0.000 0.000 2.349 64 D HA 0.009 4.650 4.640 0.001 0.000 0.215 64 D C 0.770 177.060 176.300 -0.016 0.000 1.016 64 D CA -0.209 53.786 54.000 -0.008 0.000 0.870 64 D CB 0.038 40.837 40.800 -0.002 0.000 0.917 64 D HN 0.114 nan 8.370 nan 0.000 0.524 65 L N 1.553 122.766 121.223 -0.015 0.000 2.601 65 L HA -0.046 4.294 4.340 0.001 0.000 0.277 65 L C -0.321 176.505 176.870 -0.074 0.000 1.219 65 L CA 0.263 55.089 54.840 -0.024 0.000 0.915 65 L CB 0.652 42.715 42.059 0.006 0.000 1.160 65 L HN -0.274 nan 8.230 nan 0.000 0.494 66 V N 7.424 127.306 119.914 -0.053 0.000 2.406 66 V HA 0.236 4.357 4.120 0.001 0.000 0.272 66 V C 0.481 176.523 176.094 -0.086 0.000 1.043 66 V CA -0.368 61.894 62.300 -0.064 0.000 0.915 66 V CB 1.030 32.832 31.823 -0.035 0.000 0.988 66 V HN 0.536 nan 8.190 nan 0.000 0.466 67 I N 8.509 129.002 120.570 -0.128 0.000 2.269 67 I HA 0.227 4.397 4.170 0.001 0.000 0.293 67 I C -1.355 174.714 176.117 -0.080 0.000 1.106 67 I CA -1.521 59.699 61.300 -0.132 0.000 1.248 67 I CB 1.277 39.153 38.000 -0.207 0.000 1.444 67 I HN 0.497 nan 8.210 nan 0.000 0.497 68 P HA -0.005 nan 4.420 nan 0.000 0.231 68 P C 0.412 177.687 177.300 -0.041 0.000 1.168 68 P CA 0.576 63.648 63.100 -0.047 0.000 0.779 68 P CB 0.502 32.177 31.700 -0.042 0.000 0.844 69 A N -0.348 122.436 122.820 -0.060 0.000 3.355 69 A HA 0.508 4.829 4.320 0.001 0.000 0.290 69 A C -2.764 174.794 177.584 -0.043 0.000 0.973 69 A CA -1.306 50.702 52.037 -0.048 0.000 0.933 69 A CB -0.031 18.930 19.000 -0.065 0.000 1.138 69 A HN -0.028 nan 8.150 nan 0.000 0.490 70 P HA 0.261 nan 4.420 nan 0.000 0.269 70 P C -0.403 176.933 177.300 0.059 0.000 1.209 70 P CA 0.134 63.260 63.100 0.044 0.000 0.776 70 P CB 0.758 32.529 31.700 0.118 0.000 0.876 71 I N 2.332 122.958 120.570 0.094 0.000 2.389 71 I HA 0.274 4.444 4.170 0.001 0.000 0.288 71 I C 0.428 176.620 176.117 0.124 0.000 0.999 71 I CA -0.621 60.736 61.300 0.094 0.000 1.129 71 I CB 1.124 39.180 38.000 0.094 0.000 1.288 71 I HN 0.411 nan 8.210 nan 0.000 0.444 72 Q N 5.978 125.832 119.800 0.091 0.000 2.288 72 Q HA 0.239 4.580 4.340 0.001 0.000 0.258 72 Q C -0.804 175.247 176.000 0.084 0.000 0.957 72 Q CA -0.348 55.502 55.803 0.078 0.000 0.919 72 Q CB 0.888 29.665 28.738 0.066 0.000 1.185 72 Q HN 0.500 nan 8.270 nan 0.000 0.408 73 Q N 4.086 123.928 119.800 0.070 0.000 2.430 73 Q HA 0.290 4.630 4.340 0.001 0.000 0.245 73 Q C -1.084 174.940 176.000 0.040 0.000 1.021 73 Q CA -0.418 55.422 55.803 0.062 0.000 0.867 73 Q CB 0.962 29.723 28.738 0.039 0.000 1.210 73 Q HN 0.523 nan 8.270 nan 0.000 0.487 74 L N 2.868 124.140 121.223 0.083 0.000 2.305 74 L HA 0.325 4.666 4.340 0.001 0.000 0.281 74 L C -0.598 176.346 176.870 0.123 0.000 1.085 74 L CA -0.278 54.613 54.840 0.085 0.000 0.813 74 L CB 1.330 43.444 42.059 0.091 0.000 1.157 74 L HN 0.335 nan 8.230 nan 0.000 0.436 75 V N 2.270 122.215 119.914 0.052 0.000 2.525 75 V HA 0.441 4.561 4.120 0.001 0.000 0.299 75 V C -0.111 176.036 176.094 0.089 0.000 1.034 75 V CA -0.601 61.732 62.300 0.056 0.000 0.863 75 V CB 1.833 33.571 31.823 -0.142 0.000 0.999 75 V HN 0.737 nan 8.190 nan 0.000 0.423 76 T N 3.196 117.882 114.554 0.221 0.000 2.823 76 T HA 0.880 5.231 4.350 0.001 0.000 0.279 76 T C -0.034 174.868 174.700 0.338 0.000 0.998 76 T CA 0.513 62.745 62.100 0.221 0.000 0.994 76 T CB 1.259 70.237 68.868 0.184 0.000 0.960 76 T HN 1.457 nan 8.240 nan 0.000 0.448 77 G N 2.989 111.970 108.800 0.302 0.000 2.337 77 G HA2 0.493 4.453 3.960 0.001 0.000 0.298 77 G HA3 0.493 4.453 3.960 0.001 0.000 0.298 77 G C -1.992 172.920 174.900 0.020 0.000 1.335 77 G CA -0.490 44.695 45.100 0.143 0.000 0.875 77 G HN 0.951 nan 8.290 nan 0.000 0.579 78 Q N -1.755 117.851 119.800 -0.323 0.000 2.630 78 Q HA 0.681 5.022 4.340 0.001 0.000 0.295 78 Q C -0.086 175.656 176.000 -0.431 0.000 0.944 78 Q CA -0.417 55.239 55.803 -0.245 0.000 0.766 78 Q CB 1.252 29.932 28.738 -0.097 0.000 1.471 78 Q HN 1.636 nan 8.270 nan 0.000 0.416 79 S N -0.323 115.225 115.700 -0.252 0.000 3.549 79 S HA -0.170 4.301 4.470 0.001 0.000 0.366 79 S C 0.949 175.330 174.600 -0.365 0.000 1.012 79 S CA 1.399 59.453 58.200 -0.243 0.000 1.141 79 S CB -1.923 61.144 63.200 -0.222 0.000 0.910 79 S HN 1.776 nan 8.310 nan 0.000 0.471 80 G N -0.846 107.718 108.800 -0.393 0.000 2.179 80 G HA2 -0.291 3.670 3.960 0.001 0.000 0.260 80 G HA3 -0.291 3.670 3.960 0.001 0.000 0.260 80 G C -0.124 174.448 174.900 -0.546 0.000 0.977 80 G CA 0.375 45.272 45.100 -0.338 0.000 0.641 80 G HN 0.763 nan 8.290 nan 0.000 0.533 81 L N -0.124 120.508 121.223 -0.985 0.000 2.349 81 L HA 0.792 5.132 4.340 0.001 0.000 0.278 81 L C -0.521 175.905 176.870 -0.739 0.000 0.996 81 L CA -0.963 53.502 54.840 -0.626 0.000 0.825 81 L CB 1.281 42.953 42.059 -0.645 0.000 1.243 81 L HN 0.044 nan 8.230 nan 0.000 0.412 82 F N -0.091 120.024 119.950 0.275 0.000 2.599 82 F HA 0.581 5.108 4.527 0.001 0.000 0.311 82 F C 0.139 176.047 175.800 0.181 0.000 1.076 82 F CA -0.762 57.362 58.000 0.207 0.000 0.937 82 F CB 2.428 41.497 39.000 0.115 0.000 1.282 82 F HN 0.161 nan 8.300 nan 0.000 0.460 83 T N 1.013 115.761 114.554 0.323 0.000 2.823 83 T HA 0.347 4.697 4.350 0.001 0.000 0.279 83 T C -0.981 173.790 174.700 0.118 0.000 0.998 83 T CA -0.721 61.445 62.100 0.110 0.000 0.994 83 T CB 1.637 70.527 68.868 0.036 0.000 0.960 83 T HN 0.566 nan 8.240 nan 0.000 0.448 84 Q N 2.183 121.973 119.800 -0.017 0.000 2.290 84 Q HA 0.424 4.765 4.340 0.001 0.000 0.259 84 Q C -1.670 174.256 176.000 -0.123 0.000 0.941 84 Q CA -0.638 55.173 55.803 0.013 0.000 0.912 84 Q CB 0.668 29.416 28.738 0.018 0.000 1.244 84 Q HN 0.643 nan 8.270 nan 0.000 0.441 85 Y N 2.471 122.798 120.300 0.044 0.000 2.364 85 Y HA 0.376 4.926 4.550 0.001 0.000 0.340 85 Y C -0.321 175.603 175.900 0.040 0.000 0.975 85 Y CA -1.032 57.093 58.100 0.042 0.000 1.089 85 Y CB 1.524 40.008 38.460 0.039 0.000 1.192 85 Y HN 0.606 nan 8.280 nan 0.000 0.454 86 N N 3.829 122.623 118.700 0.157 0.000 2.455 86 N HA 0.458 5.198 4.740 0.001 0.000 0.280 86 N C -0.956 174.619 175.510 0.108 0.000 1.055 86 N CA -0.301 52.816 53.050 0.113 0.000 0.961 86 N CB 1.303 39.835 38.487 0.076 0.000 1.121 86 N HN 0.539 nan 8.380 nan 0.000 0.476 87 I N 1.209 121.833 120.570 0.090 0.000 2.382 87 I HA 0.202 4.372 4.170 0.001 0.000 0.286 87 I C 0.393 176.545 176.117 0.058 0.000 1.002 87 I CA -0.688 60.654 61.300 0.070 0.000 1.135 87 I CB 1.672 39.711 38.000 0.065 0.000 1.288 87 I HN 0.244 nan 8.210 nan 0.000 0.448 88 Q N 6.015 125.842 119.800 0.045 0.000 2.313 88 Q HA 0.182 4.523 4.340 0.001 0.000 0.266 88 Q C -0.744 175.277 176.000 0.035 0.000 0.989 88 Q CA -0.195 55.628 55.803 0.034 0.000 0.890 88 Q CB 0.912 29.663 28.738 0.022 0.000 1.200 88 Q HN 0.393 nan 8.270 nan 0.000 0.396 89 K N 1.813 122.236 120.400 0.038 0.000 2.245 89 K HA 0.433 4.753 4.320 0.001 0.000 0.234 89 K C -0.161 176.456 176.600 0.028 0.000 1.021 89 K CA -0.503 55.807 56.287 0.038 0.000 0.898 89 K CB 0.517 33.047 32.500 0.049 0.000 1.163 89 K HN 0.574 nan 8.250 nan 0.000 0.459 90 K N 0.510 120.926 120.400 0.027 0.000 2.276 90 K HA 0.431 4.752 4.320 0.001 0.000 0.259 90 K C 0.359 176.970 176.600 0.018 0.000 1.001 90 K CA 0.422 56.720 56.287 0.019 0.000 0.927 90 K CB -0.268 32.243 32.500 0.018 0.000 0.969 90 K HN 0.717 nan 8.250 nan 0.000 0.490 91 A N 1.224 124.049 122.820 0.008 0.000 2.555 91 A HA 0.515 4.835 4.320 0.001 0.000 0.233 91 A C 0.502 178.090 177.584 0.007 0.000 1.060 91 A CA 0.856 52.893 52.037 -0.000 0.000 0.759 91 A CB -0.653 18.341 19.000 -0.009 0.000 0.995 91 A HN 1.395 nan 8.150 nan 0.000 0.506 92 M N 0.865 120.468 119.600 0.004 0.000 2.683 92 M HA 0.689 5.169 4.480 0.001 0.000 0.274 92 M C -0.223 176.065 176.300 -0.019 0.000 1.272 92 M CA -0.393 54.914 55.300 0.012 0.000 0.833 92 M CB 1.774 34.408 32.600 0.057 0.000 1.708 92 M HN 0.721 nan 8.290 nan 0.000 0.463 93 T N -1.100 113.443 114.554 -0.018 0.000 2.881 93 T HA 0.460 4.810 4.350 0.001 0.000 0.278 93 T C 0.949 175.608 174.700 -0.068 0.000 0.982 93 T CA -0.726 61.342 62.100 -0.053 0.000 0.989 93 T CB 1.322 70.169 68.868 -0.033 0.000 1.058 93 T HN 0.519 nan 8.240 nan 0.000 0.529 94 V N 1.121 120.948 119.914 -0.146 0.000 2.392 94 V HA -0.128 3.993 4.120 0.001 0.000 0.249 94 V C 3.010 179.110 176.094 0.010 0.000 1.059 94 V CA 2.094 64.301 62.300 -0.154 0.000 1.051 94 V CB -1.025 30.675 31.823 -0.204 0.000 0.658 94 V HN 0.908 nan 8.190 nan 0.000 0.455 95 R N -0.020 120.475 120.500 -0.008 0.000 2.073 95 R HA -0.197 4.144 4.340 0.001 0.000 0.234 95 R C 2.334 178.621 176.300 -0.022 0.000 1.134 95 R CA 2.002 58.091 56.100 -0.018 0.000 0.952 95 R CB -0.176 30.114 30.300 -0.017 0.000 0.850 95 R HN 0.616 nan 8.270 nan 0.000 0.433 96 E N -0.576 119.625 120.200 0.002 0.000 2.077 96 E HA -0.216 4.134 4.350 0.001 0.000 0.193 96 E C 1.720 178.331 176.600 0.018 0.000 0.989 96 E CA 1.429 57.833 56.400 0.007 0.000 0.800 96 E CB -0.197 29.514 29.700 0.019 0.000 0.746 96 E HN 0.293 nan 8.360 nan 0.000 0.452 97 F N 1.580 121.481 119.950 -0.082 0.000 2.134 97 F HA -0.160 4.368 4.527 0.001 0.000 0.299 97 F C 2.455 178.189 175.800 -0.110 0.000 1.097 97 F CA 1.468 59.432 58.000 -0.059 0.000 1.264 97 F CB 0.063 39.048 39.000 -0.025 0.000 1.001 97 F HN -0.203 nan 8.300 nan 0.000 0.479 98 R N 0.267 120.721 120.500 -0.078 0.000 2.120 98 R HA -0.145 4.195 4.340 0.001 0.000 0.234 98 R C 2.317 178.395 176.300 -0.370 0.000 1.123 98 R CA 1.542 57.310 56.100 -0.554 0.000 0.975 98 R CB -0.140 29.725 30.300 -0.725 0.000 0.866 98 R HN 0.121 nan 8.270 nan 0.000 0.446 99 K N 0.303 120.579 120.400 -0.207 0.000 2.062 99 K HA 0.040 4.361 4.320 0.001 0.000 0.205 99 K C 2.042 178.581 176.600 -0.102 0.000 1.051 99 K CA 1.299 57.509 56.287 -0.128 0.000 0.941 99 K CB -0.390 32.065 32.500 -0.075 0.000 0.719 99 K HN 0.313 nan 8.250 nan 0.000 0.440 100 I N 0.713 121.201 120.570 -0.137 0.000 2.226 100 I HA -0.227 3.943 4.170 0.001 0.000 0.245 100 I C 2.653 178.725 176.117 -0.075 0.000 1.100 100 I CA 1.424 62.671 61.300 -0.088 0.000 1.374 100 I CB -0.514 37.366 38.000 -0.200 0.000 1.057 100 I HN 0.235 nan 8.210 nan 0.000 0.413 101 A N 0.845 123.498 122.820 -0.278 0.000 1.902 101 A HA -0.172 4.148 4.320 0.001 0.000 0.217 101 A C 1.933 179.544 177.584 0.046 0.000 1.181 101 A CA 1.748 53.701 52.037 -0.141 0.000 0.623 101 A CB -0.478 18.443 19.000 -0.131 0.000 0.818 101 A HN 0.406 nan 8.150 nan 0.000 0.443 102 N N 0.192 118.878 118.700 -0.022 0.000 2.336 102 N HA 0.023 4.764 4.740 0.001 0.000 0.189 102 N C 0.575 176.106 175.510 0.035 0.000 1.113 102 N CA 0.724 53.787 53.050 0.022 0.000 0.858 102 N CB -0.011 38.456 38.487 -0.034 0.000 0.970 102 N HN 0.594 nan 8.380 nan 0.000 0.471 103 S N -0.021 115.707 115.700 0.048 0.000 2.600 103 S HA 0.151 4.621 4.470 0.001 0.000 0.265 103 S C 0.851 175.473 174.600 0.036 0.000 1.325 103 S CA -0.509 57.713 58.200 0.037 0.000 1.002 103 S CB 1.285 64.513 63.200 0.047 0.000 0.921 103 S HN -0.044 nan 8.310 nan 0.000 0.554 104 D N 0.632 121.033 120.400 0.000 0.000 2.182 104 D HA -0.108 4.532 4.640 0.001 0.000 0.201 104 D C 1.705 177.975 176.300 -0.051 0.000 0.986 104 D CA 1.154 55.144 54.000 -0.018 0.000 0.847 104 D CB -0.191 40.592 40.800 -0.029 0.000 0.942 104 D HN 0.616 nan 8.370 nan 0.000 0.467 105 K N -0.347 119.985 120.400 -0.114 0.000 2.009 105 K HA -0.157 4.163 4.320 0.001 0.000 0.210 105 K C 1.263 177.674 176.600 -0.316 0.000 1.049 105 K CA 1.220 57.321 56.287 -0.311 0.000 0.929 105 K CB -0.036 32.151 32.500 -0.521 0.000 0.714 105 K HN 0.290 nan 8.250 nan 0.000 0.440 106 Y N -0.534 119.802 120.300 0.059 0.000 2.500 106 Y HA 0.093 4.644 4.550 0.001 0.000 0.246 106 Y C 0.948 176.964 175.900 0.194 0.000 1.146 106 Y CA -1.023 57.147 58.100 0.115 0.000 1.230 106 Y CB 0.314 38.799 38.460 0.041 0.000 1.214 106 Y HN 0.164 nan 8.280 nan 0.000 0.526 107 C N 0.135 119.580 119.300 0.241 0.000 2.563 107 C HA 0.429 4.890 4.460 0.001 0.000 0.358 107 C C 1.006 176.030 174.990 0.056 0.000 1.336 107 C CA -0.646 58.480 59.018 0.180 0.000 2.454 107 C CB 0.229 28.026 27.740 0.095 0.000 2.448 107 C HN 0.287 nan 8.230 nan 0.000 0.670 108 T N 4.111 118.648 114.554 -0.029 0.000 2.853 108 T HA 0.331 4.682 4.350 0.001 0.000 0.298 108 T C -1.726 172.748 174.700 -0.377 0.000 0.978 108 T CA 0.048 61.921 62.100 -0.379 0.000 1.152 108 T CB -0.093 68.721 68.868 -0.090 0.000 0.914 108 T HN 0.754 nan 8.240 nan 0.000 0.539 109 P HA 0.264 nan 4.420 nan 0.000 0.272 109 P C 0.121 177.363 177.300 -0.097 0.000 1.248 109 P CA -0.422 62.498 63.100 -0.301 0.000 0.799 109 P CB 0.357 31.856 31.700 -0.336 0.000 0.997 110 R N 0.292 120.768 120.500 -0.040 0.000 2.438 110 R HA 0.475 4.816 4.340 0.001 0.000 0.287 110 R C -0.173 176.178 176.300 0.085 0.000 1.077 110 R CA -0.015 56.082 56.100 -0.006 0.000 1.034 110 R CB -0.782 29.502 30.300 -0.028 0.000 0.993 110 R HN 0.818 nan 8.270 nan 0.000 0.459 111 Y N -1.330 118.927 120.300 -0.071 0.000 2.558 111 Y HA 0.560 5.111 4.550 0.001 0.000 0.333 111 Y C 0.783 176.679 175.900 -0.006 0.000 1.125 111 Y CA -0.456 57.615 58.100 -0.048 0.000 1.039 111 Y CB 1.150 39.564 38.460 -0.077 0.000 1.331 111 Y HN 0.513 nan 8.280 nan 0.000 0.456 112 S N 1.404 117.143 115.700 0.066 0.000 2.310 112 S HA 0.088 4.558 4.470 0.001 0.000 0.201 112 S C 0.072 174.778 174.600 0.176 0.000 1.032 112 S CA 1.171 59.389 58.200 0.029 0.000 0.993 112 S CB -0.400 62.834 63.200 0.056 0.000 0.970 112 S HN 0.800 nan 8.310 nan 0.000 0.446 113 E N 0.499 120.857 120.200 0.264 0.000 2.280 113 E HA 0.318 4.668 4.350 0.001 0.000 0.261 113 E C 0.371 177.225 176.600 0.422 0.000 1.088 113 E CA -0.421 56.169 56.400 0.316 0.000 0.915 113 E CB 0.037 29.868 29.700 0.219 0.000 1.141 113 E HN 0.412 nan 8.360 nan 0.000 0.433 114 F N 1.132 121.244 119.950 0.270 0.000 2.161 114 F HA -0.205 4.323 4.527 0.001 0.000 0.300 114 F C 2.187 178.070 175.800 0.139 0.000 1.089 114 F CA 2.309 60.405 58.000 0.161 0.000 1.282 114 F CB -0.405 38.712 39.000 0.195 0.000 1.010 114 F HN 0.597 nan 8.300 nan 0.000 0.485 115 E N 0.769 120.932 120.200 -0.062 0.000 2.160 115 E HA -0.283 4.067 4.350 0.001 0.000 0.195 115 E C 1.998 178.525 176.600 -0.121 0.000 0.991 115 E CA 1.478 57.795 56.400 -0.139 0.000 0.810 115 E CB -1.089 28.661 29.700 0.082 0.000 0.742 115 E HN 0.770 nan 8.360 nan 0.000 0.466 116 E N -0.708 119.474 120.200 -0.030 0.000 2.051 116 E HA -0.131 4.219 4.350 0.001 0.000 0.192 116 E C 2.177 178.728 176.600 -0.082 0.000 0.991 116 E CA 1.252 57.654 56.400 0.003 0.000 0.799 116 E CB -0.156 29.602 29.700 0.095 0.000 0.748 116 E HN 0.425 nan 8.360 nan 0.000 0.449 117 L N 1.595 122.677 121.223 -0.234 0.000 2.093 117 L HA -0.146 4.194 4.340 0.001 0.000 0.208 117 L C 2.298 179.050 176.870 -0.196 0.000 1.085 117 L CA 2.110 56.726 54.840 -0.373 0.000 0.755 117 L CB -0.447 41.110 42.059 -0.837 0.000 0.904 117 L HN 0.231 nan 8.230 nan 0.000 0.435 118 E N -0.664 119.340 120.200 -0.326 0.000 2.077 118 E HA -0.258 4.093 4.350 0.001 0.000 0.193 118 E C 2.320 178.980 176.600 0.100 0.000 0.989 118 E CA 1.059 57.379 56.400 -0.133 0.000 0.800 118 E CB -0.115 29.384 29.700 -0.336 0.000 0.746 118 E HN 0.463 nan 8.360 nan 0.000 0.452 119 R N 0.344 120.879 120.500 0.059 0.000 2.096 119 R HA -0.106 4.234 4.340 0.001 0.000 0.235 119 R C 2.476 178.837 176.300 0.100 0.000 1.127 119 R CA 1.596 57.771 56.100 0.124 0.000 0.968 119 R CB -0.096 30.250 30.300 0.077 0.000 0.861 119 R HN 0.128 nan 8.270 nan 0.000 0.440 120 K N -0.492 119.945 120.400 0.062 0.000 2.097 120 K HA -0.211 4.109 4.320 0.001 0.000 0.206 120 K C 1.948 178.602 176.600 0.089 0.000 1.049 120 K CA 1.471 57.818 56.287 0.099 0.000 0.933 120 K CB -0.259 32.292 32.500 0.086 0.000 0.717 120 K HN 0.179 nan 8.250 nan 0.000 0.442 121 Y N -0.045 120.157 120.300 -0.163 0.000 2.114 121 Y HA -0.264 4.286 4.550 0.001 0.000 0.284 121 Y C 1.663 177.136 175.900 -0.711 0.000 1.143 121 Y CA 1.631 59.319 58.100 -0.686 0.000 1.135 121 Y CB -0.430 37.134 38.460 -1.494 0.000 0.980 121 Y HN 0.085 nan 8.280 nan 0.000 0.499 122 W N 0.791 121.868 121.300 -0.371 0.000 2.467 122 W HA -0.028 4.633 4.660 0.001 0.000 0.275 122 W C 2.574 178.903 176.519 -0.315 0.000 1.239 122 W CA 1.206 58.323 57.345 -0.381 0.000 1.266 122 W CB -0.174 29.232 29.460 -0.090 0.000 1.112 122 W HN -0.044 nan 8.180 nan 0.000 0.576 123 K N 0.300 120.686 120.400 -0.023 0.000 2.103 123 K HA -0.107 4.213 4.320 0.001 0.000 0.204 123 K C 1.087 177.607 176.600 -0.133 0.000 1.052 123 K CA 1.221 57.504 56.287 -0.006 0.000 0.945 123 K CB -0.129 32.416 32.500 0.076 0.000 0.722 123 K HN 0.065 nan 8.250 nan 0.000 0.443 124 N N 0.675 119.229 118.700 -0.245 0.000 2.187 124 N HA -0.033 4.707 4.740 0.001 0.000 0.212 124 N C 1.123 176.313 175.510 -0.534 0.000 1.152 124 N CA 0.007 52.931 53.050 -0.210 0.000 0.872 124 N CB 0.573 39.109 38.487 0.081 0.000 1.025 124 N HN 0.082 nan 8.380 nan 0.000 0.514 125 L N 1.844 122.569 121.223 -0.831 0.000 2.043 125 L HA -0.137 4.204 4.340 0.001 0.000 0.212 125 L C 2.207 178.633 176.870 -0.740 0.000 1.075 125 L CA 1.951 56.184 54.840 -1.011 0.000 0.752 125 L CB -1.186 40.058 42.059 -1.359 0.000 0.891 125 L HN 0.207 nan 8.230 nan 0.000 0.432 126 T N -3.726 110.353 114.554 -0.792 0.000 3.129 126 T HA 0.113 4.464 4.350 0.001 0.000 0.251 126 T C 0.528 175.012 174.700 -0.360 0.000 1.117 126 T CA -0.274 61.497 62.100 -0.549 0.000 1.034 126 T CB -0.745 67.841 68.868 -0.470 0.000 0.968 126 T HN 0.118 nan 8.240 nan 0.000 0.526 127 F N 1.339 121.209 119.950 -0.133 0.000 2.470 127 F HA 0.487 5.015 4.527 0.001 0.000 0.329 127 F C 0.779 176.539 175.800 -0.067 0.000 1.072 127 F CA -1.365 56.589 58.000 -0.077 0.000 0.989 127 F CB 0.749 39.714 39.000 -0.059 0.000 1.193 127 F HN -0.048 nan 8.300 nan 0.000 0.481 128 N N 1.947 120.753 118.700 0.177 0.000 2.642 128 N HA -0.139 4.602 4.740 0.001 0.000 0.269 128 N C -2.659 172.925 175.510 0.123 0.000 1.073 128 N CA -0.310 52.807 53.050 0.112 0.000 0.748 128 N CB -0.669 37.873 38.487 0.091 0.000 0.894 128 N HN 0.138 nan 8.380 nan 0.000 0.548 129 P HA 0.102 nan 4.420 nan 0.000 0.258 129 P C -2.425 174.951 177.300 0.126 0.000 1.187 129 P CA -0.528 62.615 63.100 0.072 0.000 0.767 129 P CB 0.344 32.084 31.700 0.066 0.000 0.770 130 P HA 0.361 nan 4.420 nan 0.000 0.282 130 P C -0.277 176.975 177.300 -0.080 0.000 1.287 130 P CA -0.457 62.612 63.100 -0.052 0.000 0.792 130 P CB 1.072 32.713 31.700 -0.098 0.000 1.163 131 I N 0.096 120.573 120.570 -0.155 0.000 2.406 131 I HA 0.249 4.420 4.170 0.001 0.000 0.290 131 I C -0.526 175.790 176.117 0.333 0.000 0.999 131 I CA -0.821 60.507 61.300 0.046 0.000 1.124 131 I CB 1.248 39.227 38.000 -0.035 0.000 1.289 131 I HN 0.231 nan 8.210 nan 0.000 0.441 132 Y N 4.667 125.092 120.300 0.209 0.000 2.342 132 Y HA 0.501 5.052 4.550 0.001 0.000 0.338 132 Y C 0.662 176.631 175.900 0.115 0.000 0.965 132 Y CA -1.950 56.281 58.100 0.218 0.000 1.159 132 Y CB 1.845 40.381 38.460 0.128 0.000 1.157 132 Y HN 0.600 nan 8.280 nan 0.000 0.486 133 G N 4.966 113.836 108.800 0.116 0.000 3.213 133 G HA2 0.454 4.415 3.960 0.001 0.000 0.263 133 G HA3 0.454 4.415 3.960 0.001 0.000 0.263 133 G C -0.128 174.580 174.900 -0.320 0.000 0.829 133 G CA 0.038 45.008 45.100 -0.217 0.000 1.983 133 G HN 0.762 nan 8.290 nan 0.000 0.616 134 A N 1.302 123.835 122.820 -0.480 0.000 2.282 134 A HA 0.624 4.945 4.320 0.001 0.000 0.319 134 A C 0.651 177.756 177.584 -0.799 0.000 1.121 134 A CA -0.377 51.176 52.037 -0.806 0.000 0.836 134 A CB 0.530 19.081 19.000 -0.749 0.000 1.146 134 A HN 0.476 nan 8.150 nan 0.000 0.494 135 D N -0.614 119.013 120.400 -1.287 0.000 2.800 135 D HA -0.126 4.515 4.640 0.001 0.000 0.232 135 D C -0.361 175.245 176.300 -1.156 0.000 1.137 135 D CA 1.139 54.239 54.000 -1.500 0.000 0.718 135 D CB -1.892 38.308 40.800 -1.001 0.000 1.084 135 D HN 0.301 nan 8.370 nan 0.000 0.432 136 V N 1.327 120.777 119.914 -0.774 0.000 2.408 136 V HA 0.087 4.208 4.120 0.001 0.000 0.267 136 V C 0.903 176.909 176.094 -0.145 0.000 1.047 136 V CA -0.735 61.361 62.300 -0.341 0.000 0.937 136 V CB 1.074 32.813 31.823 -0.140 0.000 0.999 136 V HN 0.140 nan 8.190 nan 0.000 0.472 137 N N 4.694 123.390 118.700 -0.008 0.000 2.434 137 N HA 0.396 5.137 4.740 0.001 0.000 0.268 137 N C 0.402 175.962 175.510 0.084 0.000 1.256 137 N CA 0.861 53.993 53.050 0.137 0.000 0.914 137 N CB 1.238 39.792 38.487 0.112 0.000 1.088 137 N HN 1.025 nan 8.380 nan 0.000 0.478 138 G N -0.042 108.818 108.800 0.100 0.000 2.336 138 G HA2 0.213 4.173 3.960 0.001 0.000 0.300 138 G HA3 0.213 4.173 3.960 0.001 0.000 0.300 138 G C -1.536 173.424 174.900 0.101 0.000 1.375 138 G CA -0.705 44.444 45.100 0.082 0.000 0.885 138 G HN 0.436 nan 8.290 nan 0.000 0.599 139 T N -0.517 114.102 114.554 0.108 0.000 2.900 139 T HA 0.591 4.941 4.350 0.001 0.000 0.295 139 T C 0.578 175.372 174.700 0.158 0.000 1.044 139 T CA -0.594 61.608 62.100 0.170 0.000 0.995 139 T CB 1.351 70.311 68.868 0.154 0.000 1.072 139 T HN 0.561 nan 8.240 nan 0.000 0.473 140 L N 3.109 124.433 121.223 0.167 0.000 2.667 140 L HA 0.352 4.692 4.340 0.001 0.000 0.232 140 L C -0.303 176.620 176.870 0.089 0.000 1.138 140 L CA -0.294 54.561 54.840 0.025 0.000 0.921 140 L CB -0.059 41.837 42.059 -0.272 0.000 1.180 140 L HN 0.620 nan 8.230 nan 0.000 0.487 141 Y N 1.854 122.211 120.300 0.096 0.000 2.359 141 Y HA 0.232 4.783 4.550 0.001 0.000 0.330 141 Y C 1.233 177.128 175.900 -0.009 0.000 1.143 141 Y CA -0.293 57.850 58.100 0.071 0.000 1.318 141 Y CB 0.350 38.868 38.460 0.096 0.000 1.234 141 Y HN 0.142 nan 8.280 nan 0.000 0.522 142 E N 2.122 122.362 120.200 0.067 0.000 2.398 142 E HA 0.306 4.656 4.350 0.001 0.000 0.263 142 E C 1.317 177.921 176.600 0.006 0.000 1.046 142 E CA 0.085 56.489 56.400 0.007 0.000 0.908 142 E CB 0.061 29.747 29.700 -0.023 0.000 0.963 142 E HN 0.786 nan 8.360 nan 0.000 0.431 143 K N 0.842 121.159 120.400 -0.138 0.000 2.127 143 K HA -0.202 4.119 4.320 0.001 0.000 0.208 143 K C 1.573 178.027 176.600 -0.243 0.000 1.047 143 K CA 2.279 58.410 56.287 -0.261 0.000 0.927 143 K CB -0.732 31.477 32.500 -0.484 0.000 0.716 143 K HN 0.796 nan 8.250 nan 0.000 0.450 144 H N -0.818 118.277 119.070 0.041 0.000 2.539 144 H HA 0.184 4.740 4.556 0.001 0.000 0.269 144 H C 0.004 175.374 175.328 0.070 0.000 0.980 144 H CA 0.044 56.117 56.048 0.042 0.000 1.152 144 H CB -0.190 29.587 29.762 0.024 0.000 1.407 144 H HN 0.169 nan 8.280 nan 0.000 0.564 145 V N 3.027 123.051 119.914 0.183 0.000 2.415 145 V HA -0.045 4.076 4.120 0.001 0.000 0.267 145 V C 0.862 177.099 176.094 0.238 0.000 1.042 145 V CA 0.202 62.642 62.300 0.233 0.000 1.000 145 V CB 0.977 32.972 31.823 0.288 0.000 1.015 145 V HN 0.202 nan 8.190 nan 0.000 0.478 146 D N 2.623 123.161 120.400 0.231 0.000 2.327 146 D HA 0.045 4.685 4.640 0.001 0.000 0.205 146 D C 0.557 176.942 176.300 0.143 0.000 0.989 146 D CA 0.515 54.604 54.000 0.148 0.000 0.873 146 D CB 0.466 41.337 40.800 0.119 0.000 0.955 146 D HN 0.660 nan 8.370 nan 0.000 0.515 147 E N -0.308 120.069 120.200 0.295 0.000 2.174 147 E HA 0.229 4.580 4.350 0.001 0.000 0.282 147 E C -0.469 176.257 176.600 0.211 0.000 0.992 147 E CA -0.617 55.892 56.400 0.181 0.000 0.803 147 E CB 0.404 30.204 29.700 0.168 0.000 1.090 147 E HN -0.020 nan 8.360 nan 0.000 0.396 148 W N 1.213 122.215 121.300 -0.496 0.000 5.121 148 W HA -0.253 4.407 4.660 0.001 0.000 0.372 148 W C 0.002 176.333 176.519 -0.315 0.000 1.394 148 W CA 0.221 57.197 57.345 -0.613 0.000 0.885 148 W CB -1.640 27.238 29.460 -0.970 0.000 2.520 148 W HN 0.469 nan 8.180 nan 0.000 1.455 149 N N 1.747 120.300 118.700 -0.245 0.000 2.402 149 N HA 0.147 4.888 4.740 0.001 0.000 0.252 149 N C 1.224 176.345 175.510 -0.647 0.000 1.118 149 N CA 0.160 52.877 53.050 -0.555 0.000 0.945 149 N CB 0.227 38.539 38.487 -0.292 0.000 1.147 149 N HN 0.247 nan 8.380 nan 0.000 0.495 150 I N 1.945 122.051 120.570 -0.773 0.000 2.423 150 I HA -0.211 3.959 4.170 0.001 0.000 0.254 150 I C 2.009 177.933 176.117 -0.322 0.000 1.151 150 I CA 1.102 62.159 61.300 -0.406 0.000 1.421 150 I CB -0.144 37.786 38.000 -0.116 0.000 1.079 150 I HN 0.555 nan 8.210 nan 0.000 0.431 151 G N 1.369 109.971 108.800 -0.329 0.000 2.511 151 G HA2 -0.126 3.835 3.960 0.001 0.000 0.217 151 G HA3 -0.126 3.835 3.960 0.001 0.000 0.217 151 G C 0.974 175.754 174.900 -0.201 0.000 1.133 151 G CA -0.053 44.925 45.100 -0.203 0.000 0.792 151 G HN 0.506 nan 8.290 nan 0.000 0.539 152 R N -0.161 120.184 120.500 -0.259 0.000 2.684 152 R HA 0.414 4.755 4.340 0.001 0.000 0.252 152 R C 0.098 176.220 176.300 -0.296 0.000 1.628 152 R CA -0.418 55.549 56.100 -0.221 0.000 1.622 152 R CB -0.383 29.825 30.300 -0.153 0.000 1.418 152 R HN 0.105 nan 8.270 nan 0.000 0.697 153 L N 0.795 121.785 121.223 -0.387 0.000 2.270 153 L HA 0.158 4.499 4.340 0.001 0.000 0.210 153 L C 0.237 176.896 176.870 -0.351 0.000 1.104 153 L CA 0.240 54.730 54.840 -0.584 0.000 0.804 153 L CB -0.191 41.321 42.059 -0.912 0.000 0.937 153 L HN 0.518 nan 8.230 nan 0.000 0.450 154 R N 0.657 121.030 120.500 -0.211 0.000 3.055 154 R HA -0.116 4.225 4.340 0.001 0.000 0.265 154 R C -0.144 176.113 176.300 -0.073 0.000 0.947 154 R CA 0.606 56.638 56.100 -0.113 0.000 0.652 154 R CB -2.390 27.850 30.300 -0.100 0.000 1.367 154 R HN 0.455 nan 8.270 nan 0.000 0.441 155 T N -2.683 111.842 114.554 -0.048 0.000 2.926 155 T HA 0.639 4.989 4.350 0.001 0.000 0.289 155 T C 1.488 176.214 174.700 0.043 0.000 1.054 155 T CA -0.642 61.457 62.100 -0.000 0.000 1.015 155 T CB 1.533 70.426 68.868 0.041 0.000 1.167 155 T HN 0.382 nan 8.240 nan 0.000 0.526 156 I N -0.426 120.190 120.570 0.077 0.000 2.850 156 I HA 0.072 4.242 4.170 0.001 0.000 0.266 156 I C 1.862 178.166 176.117 0.311 0.000 1.257 156 I CA 0.827 62.241 61.300 0.191 0.000 1.465 156 I CB -0.502 37.586 38.000 0.147 0.000 1.091 156 I HN 0.460 nan 8.210 nan 0.000 0.467 157 L N 1.949 123.264 121.223 0.154 0.000 2.191 157 L HA -0.165 4.175 4.340 0.001 0.000 0.212 157 L C 1.792 178.753 176.870 0.151 0.000 1.103 157 L CA 1.765 56.682 54.840 0.128 0.000 0.769 157 L CB -0.954 41.036 42.059 -0.116 0.000 0.908 157 L HN 0.238 nan 8.230 nan 0.000 0.438 158 D N -0.421 120.030 120.400 0.085 0.000 2.265 158 D HA -0.207 4.433 4.640 0.001 0.000 0.208 158 D C 2.303 178.632 176.300 0.049 0.000 0.977 158 D CA 1.054 55.079 54.000 0.043 0.000 0.871 158 D CB -0.168 40.638 40.800 0.009 0.000 0.925 158 D HN 0.397 nan 8.370 nan 0.000 0.485 159 L N 0.391 121.652 121.223 0.064 0.000 2.137 159 L HA -0.206 4.135 4.340 0.001 0.000 0.213 159 L C 2.435 179.286 176.870 -0.031 0.000 1.085 159 L CA 0.696 55.509 54.840 -0.045 0.000 0.760 159 L CB -0.501 41.402 42.059 -0.261 0.000 0.893 159 L HN 0.003 nan 8.230 nan 0.000 0.434 160 V N -0.573 119.395 119.914 0.090 0.000 2.343 160 V HA -0.292 3.828 4.120 0.001 0.000 0.247 160 V C 2.581 178.706 176.094 0.052 0.000 1.051 160 V CA 2.145 64.511 62.300 0.111 0.000 1.036 160 V CB -0.292 31.641 31.823 0.182 0.000 0.654 160 V HN 0.423 nan 8.190 nan 0.000 0.451 161 E N -0.525 119.695 120.200 0.034 0.000 2.042 161 E HA -0.159 4.191 4.350 0.001 0.000 0.189 161 E C 2.478 179.079 176.600 0.001 0.000 0.974 161 E CA 1.249 57.656 56.400 0.013 0.000 0.806 161 E CB -0.074 29.627 29.700 0.001 0.000 0.769 161 E HN 0.617 nan 8.360 nan 0.000 0.451 162 K N 0.261 120.658 120.400 -0.005 0.000 1.987 162 K HA -0.241 4.079 4.320 0.001 0.000 0.216 162 K C 2.413 178.999 176.600 -0.023 0.000 1.051 162 K CA 2.761 59.039 56.287 -0.016 0.000 0.942 162 K CB -1.266 31.223 32.500 -0.018 0.000 0.722 162 K HN 0.550 nan 8.250 nan 0.000 0.444 163 E N -0.204 119.974 120.200 -0.037 0.000 2.051 163 E HA -0.008 4.343 4.350 0.001 0.000 0.189 163 E C 2.067 178.653 176.600 -0.024 0.000 0.979 163 E CA 1.686 58.059 56.400 -0.045 0.000 0.803 163 E CB -0.691 28.959 29.700 -0.082 0.000 0.761 163 E HN 0.719 nan 8.360 nan 0.000 0.451 164 S N -1.474 114.220 115.700 -0.010 0.000 2.540 164 S HA 0.436 4.907 4.470 0.001 0.000 0.218 164 S C 1.750 176.361 174.600 0.019 0.000 0.977 164 S CA 0.418 58.625 58.200 0.011 0.000 0.918 164 S CB 0.908 64.127 63.200 0.032 0.000 0.806 164 S HN 1.303 nan 8.310 nan 0.000 0.496 165 G N 1.699 110.507 108.800 0.012 0.000 2.184 165 G HA2 -0.268 3.692 3.960 0.001 0.000 0.264 165 G HA3 -0.268 3.692 3.960 0.001 0.000 0.264 165 G C 0.037 174.947 174.900 0.017 0.000 0.975 165 G CA -0.012 45.096 45.100 0.012 0.000 0.642 165 G HN 0.522 nan 8.290 nan 0.000 0.536 166 I N 1.893 122.479 120.570 0.027 0.000 2.304 166 I HA 0.345 4.516 4.170 0.001 0.000 0.291 166 I C 0.445 176.576 176.117 0.023 0.000 1.018 166 I CA -0.247 61.072 61.300 0.032 0.000 1.260 166 I CB 1.507 39.538 38.000 0.051 0.000 1.390 166 I HN 0.001 nan 8.210 nan 0.000 0.475 167 T N 7.691 122.253 114.554 0.013 0.000 2.806 167 T HA 0.563 4.913 4.350 0.001 0.000 0.290 167 T C -0.071 174.628 174.700 -0.003 0.000 0.966 167 T CA -0.181 61.918 62.100 -0.001 0.000 1.060 167 T CB 0.549 69.414 68.868 -0.006 0.000 0.927 167 T HN 0.269 nan 8.240 nan 0.000 0.485 168 I N 3.302 123.858 120.570 -0.023 0.000 2.448 168 I HA 0.259 4.429 4.170 0.001 0.000 0.281 168 I C 0.290 176.350 176.117 -0.095 0.000 1.027 168 I CA -0.737 60.544 61.300 -0.033 0.000 1.111 168 I CB 1.686 39.676 38.000 -0.017 0.000 1.236 168 I HN 0.547 nan 8.210 nan 0.000 0.452 169 E N 4.275 124.421 120.200 -0.090 0.000 2.415 169 E HA 0.176 4.527 4.350 0.001 0.000 0.263 169 E C 1.188 177.473 176.600 -0.524 0.000 0.995 169 E CA 0.898 57.190 56.400 -0.179 0.000 0.915 169 E CB 0.600 30.303 29.700 0.006 0.000 0.951 169 E HN 0.936 nan 8.360 nan 0.000 0.449 170 G N 1.887 110.136 108.800 -0.919 0.000 2.245 170 G HA2 -0.343 3.618 3.960 0.001 0.000 0.264 170 G HA3 -0.343 3.618 3.960 0.001 0.000 0.264 170 G C 0.870 175.487 174.900 -0.471 0.000 0.985 170 G CA 0.520 44.852 45.100 -1.279 0.000 0.625 170 G HN 0.424 nan 8.290 nan 0.000 0.536 171 V N 1.330 121.066 119.914 -0.296 0.000 2.502 171 V HA 0.099 4.220 4.120 0.001 0.000 0.234 171 V C 1.914 177.926 176.094 -0.138 0.000 1.072 171 V CA 2.062 64.265 62.300 -0.161 0.000 1.094 171 V CB -0.210 31.550 31.823 -0.104 0.000 0.761 171 V HN 0.636 nan 8.190 nan 0.000 0.489 172 N N 1.017 119.646 118.700 -0.119 0.000 2.251 172 N HA 0.051 4.791 4.740 0.001 0.000 0.217 172 N C 0.106 175.551 175.510 -0.108 0.000 1.124 172 N CA 0.368 53.359 53.050 -0.099 0.000 0.843 172 N CB -0.084 38.366 38.487 -0.062 0.000 1.024 172 N HN 0.609 nan 8.380 nan 0.000 0.501 173 T N -3.295 111.170 114.554 -0.148 0.000 2.907 173 T HA 0.623 4.974 4.350 0.001 0.000 0.292 173 T C -3.317 171.288 174.700 -0.159 0.000 1.043 173 T CA -2.112 59.909 62.100 -0.132 0.000 1.003 173 T CB 2.714 71.520 68.868 -0.104 0.000 1.084 173 T HN -0.177 nan 8.240 nan 0.000 0.483 174 P HA 0.347 nan 4.420 nan 0.000 0.282 174 P C -1.326 176.026 177.300 0.086 0.000 1.249 174 P CA -0.554 62.543 63.100 -0.005 0.000 0.806 174 P CB 0.435 32.157 31.700 0.037 0.000 0.984 175 Y N 0.947 121.259 120.300 0.021 0.000 2.429 175 Y HA 0.443 4.993 4.550 0.001 0.000 0.342 175 Y C 0.353 176.172 175.900 -0.134 0.000 1.004 175 Y CA -1.347 56.697 58.100 -0.093 0.000 1.075 175 Y CB 1.896 40.284 38.460 -0.120 0.000 1.214 175 Y HN 0.057 nan 8.280 nan 0.000 0.455 176 L N 3.183 124.305 121.223 -0.169 0.000 2.334 176 L HA 0.406 4.747 4.340 0.001 0.000 0.275 176 L C -1.488 174.940 176.870 -0.737 0.000 1.036 176 L CA -0.838 53.810 54.840 -0.319 0.000 0.807 176 L CB 1.139 43.027 42.059 -0.286 0.000 1.231 176 L HN 0.530 nan 8.230 nan 0.000 0.438 177 Y N 1.490 121.488 120.300 -0.503 0.000 2.402 177 Y HA 0.395 4.945 4.550 0.001 0.000 0.325 177 Y C -0.795 174.786 175.900 -0.532 0.000 1.009 177 Y CA -0.444 57.372 58.100 -0.473 0.000 1.278 177 Y CB 1.012 39.269 38.460 -0.338 0.000 1.105 177 Y HN 0.267 nan 8.280 nan 0.000 0.476 178 F N 2.147 121.997 119.950 -0.167 0.000 2.390 178 F HA 0.583 5.111 4.527 0.001 0.000 0.361 178 F C 0.998 176.879 175.800 0.136 0.000 1.124 178 F CA -0.608 57.279 58.000 -0.189 0.000 1.149 178 F CB 0.989 39.669 39.000 -0.533 0.000 1.160 178 F HN 0.533 nan 8.300 nan 0.000 0.501 179 G N 3.921 112.965 108.800 0.407 0.000 2.461 179 G HA2 0.749 4.709 3.960 0.001 0.000 0.329 179 G HA3 0.749 4.709 3.960 0.001 0.000 0.329 179 G C -0.867 174.379 174.900 0.577 0.000 1.170 179 G CA -0.910 44.452 45.100 0.436 0.000 0.935 179 G HN 0.628 nan 8.290 nan 0.000 0.492 180 M N -0.342 119.490 119.600 0.386 0.000 2.704 180 M HA 0.514 4.994 4.480 0.001 0.000 0.284 180 M C -0.473 175.972 176.300 0.241 0.000 1.275 180 M CA -1.196 54.304 55.300 0.333 0.000 0.811 180 M CB 2.254 34.959 32.600 0.176 0.000 1.741 180 M HN 0.645 nan 8.290 nan 0.000 0.458 181 W N 2.948 124.335 121.300 0.146 0.000 2.409 181 W HA -0.008 4.653 4.660 0.001 0.000 0.338 181 W C 0.127 176.697 176.519 0.084 0.000 1.273 181 W CA 1.155 58.577 57.345 0.128 0.000 1.299 181 W CB 0.430 29.968 29.460 0.130 0.000 1.192 181 W HN 1.039 nan 8.180 nan 0.000 0.565 182 K N 1.825 121.745 120.400 -0.800 0.000 3.548 182 K HA -0.213 4.108 4.320 0.001 0.000 0.296 182 K C 0.426 176.764 176.600 -0.436 0.000 1.324 182 K CA 1.366 57.047 56.287 -1.011 0.000 0.976 182 K CB -1.657 30.011 32.500 -1.388 0.000 1.294 182 K HN 0.687 nan 8.250 nan 0.000 0.464 183 T N -0.745 113.612 114.554 -0.328 0.000 2.916 183 T HA 0.407 4.757 4.350 0.001 0.000 0.303 183 T C 0.198 174.683 174.700 -0.358 0.000 1.025 183 T CA -0.279 61.586 62.100 -0.391 0.000 1.142 183 T CB 1.663 70.137 68.868 -0.657 0.000 0.947 183 T HN 0.142 nan 8.240 nan 0.000 0.544 184 S N 1.636 117.181 115.700 -0.259 0.000 2.566 184 S HA 0.730 5.201 4.470 0.001 0.000 0.298 184 S C -0.754 173.878 174.600 0.053 0.000 1.083 184 S CA -0.982 57.134 58.200 -0.139 0.000 0.978 184 S CB 0.783 63.928 63.200 -0.091 0.000 1.073 184 S HN 0.763 nan 8.310 nan 0.000 0.491 185 F N 0.531 120.413 119.950 -0.115 0.000 2.477 185 F HA 0.894 5.422 4.527 0.001 0.000 0.335 185 F C 0.108 175.871 175.800 -0.062 0.000 1.130 185 F CA -1.304 56.660 58.000 -0.059 0.000 0.948 185 F CB 0.458 39.406 39.000 -0.088 0.000 1.154 185 F HN 0.598 nan 8.300 nan 0.000 0.439 186 A N 3.089 125.959 122.820 0.082 0.000 2.346 186 A HA 0.267 4.588 4.320 0.001 0.000 0.252 186 A C -0.767 176.910 177.584 0.156 0.000 1.089 186 A CA -0.602 51.471 52.037 0.060 0.000 0.797 186 A CB 0.226 19.292 19.000 0.110 0.000 1.047 186 A HN 0.894 nan 8.150 nan 0.000 0.494 187 W N 2.149 123.547 121.300 0.164 0.000 2.347 187 W HA 0.339 5.000 4.660 0.001 0.000 0.333 187 W C 0.910 177.576 176.519 0.245 0.000 1.383 187 W CA 1.581 59.020 57.345 0.157 0.000 1.283 187 W CB 0.215 29.707 29.460 0.053 0.000 1.253 187 W HN 0.795 nan 8.180 nan 0.000 0.563 188 H N 0.330 119.583 119.070 0.305 0.000 3.003 188 H HA 0.469 5.026 4.556 0.001 0.000 0.327 188 H C -0.724 174.500 175.328 -0.172 0.000 1.353 188 H CA -0.877 55.249 56.048 0.130 0.000 1.142 188 H CB 0.704 30.466 29.762 0.000 0.000 1.864 188 H HN 0.241 nan 8.280 nan 0.000 0.529 189 T N -0.826 113.515 114.554 -0.355 0.000 2.948 189 T HA 0.345 4.696 4.350 0.001 0.000 0.285 189 T C 0.055 174.793 174.700 0.064 0.000 1.019 189 T CA -0.968 60.926 62.100 -0.343 0.000 1.013 189 T CB 1.879 70.454 68.868 -0.489 0.000 1.117 189 T HN 0.500 nan 8.240 nan 0.000 0.533 190 E N 1.411 121.685 120.200 0.124 0.000 2.408 190 E HA 0.116 4.466 4.350 0.001 0.000 0.259 190 E C -0.119 176.554 176.600 0.121 0.000 1.110 190 E CA -0.277 56.221 56.400 0.163 0.000 0.929 190 E CB 0.222 29.965 29.700 0.071 0.000 0.971 190 E HN 0.596 nan 8.360 nan 0.000 0.438 191 D N 2.704 123.171 120.400 0.113 0.000 2.583 191 D HA -0.119 4.522 4.640 0.001 0.000 0.232 191 D C 0.991 177.365 176.300 0.123 0.000 1.128 191 D CA 0.610 54.673 54.000 0.105 0.000 0.859 191 D CB 0.307 41.155 40.800 0.080 0.000 1.169 191 D HN 0.292 nan 8.370 nan 0.000 0.481 192 M N 1.207 120.914 119.600 0.177 0.000 2.762 192 M HA -0.260 4.220 4.480 0.001 0.000 0.190 192 M C -0.257 176.279 176.300 0.394 0.000 0.586 192 M CA 0.684 56.152 55.300 0.281 0.000 0.620 192 M CB -1.862 30.960 32.600 0.370 0.000 2.269 192 M HN 0.501 nan 8.290 nan 0.000 0.563 193 D N -0.213 120.345 120.400 0.263 0.000 2.708 193 D HA -0.184 4.456 4.640 0.001 0.000 0.236 193 D C 0.307 176.737 176.300 0.216 0.000 1.146 193 D CA 0.797 54.942 54.000 0.241 0.000 0.662 193 D CB -1.265 39.729 40.800 0.323 0.000 1.059 193 D HN 0.531 nan 8.370 nan 0.000 0.428 194 L N -0.699 120.543 121.223 0.031 0.000 2.468 194 L HA 0.131 4.471 4.340 0.001 0.000 0.253 194 L C 1.180 177.824 176.870 -0.378 0.000 1.237 194 L CA -0.231 54.395 54.840 -0.357 0.000 0.823 194 L CB 0.177 41.942 42.059 -0.491 0.000 1.124 194 L HN -0.032 nan 8.230 nan 0.000 0.504 195 Y N -0.448 119.438 120.300 -0.690 0.000 2.314 195 Y HA 0.275 4.825 4.550 0.001 0.000 0.334 195 Y C 0.636 176.130 175.900 -0.676 0.000 1.266 195 Y CA -0.233 57.352 58.100 -0.858 0.000 1.391 195 Y CB 1.147 38.524 38.460 -1.806 0.000 1.306 195 Y HN 0.515 nan 8.280 nan 0.000 0.558 196 S N 2.329 117.874 115.700 -0.259 0.000 2.599 196 S HA 0.740 5.210 4.470 0.001 0.000 0.294 196 S C -1.146 173.556 174.600 0.170 0.000 1.094 196 S CA -0.918 57.263 58.200 -0.032 0.000 0.931 196 S CB 1.907 65.117 63.200 0.017 0.000 1.093 196 S HN 0.674 nan 8.310 nan 0.000 0.488 197 I N 1.745 122.485 120.570 0.284 0.000 2.530 197 I HA 0.575 4.745 4.170 0.001 0.000 0.297 197 I C -1.402 174.866 176.117 0.252 0.000 1.011 197 I CA -0.624 60.855 61.300 0.298 0.000 1.107 197 I CB 1.686 39.822 38.000 0.227 0.000 1.285 197 I HN 0.855 nan 8.210 nan 0.000 0.436 198 N N 6.349 125.222 118.700 0.289 0.000 2.500 198 N HA 0.181 4.921 4.740 0.001 0.000 0.291 198 N C -2.246 173.386 175.510 0.203 0.000 1.092 198 N CA -0.336 52.846 53.050 0.220 0.000 0.890 198 N CB 1.601 40.224 38.487 0.228 0.000 1.466 198 N HN 0.580 nan 8.380 nan 0.000 0.507 199 Y N 3.861 124.132 120.300 -0.049 0.000 2.331 199 Y HA 0.483 5.033 4.550 0.001 0.000 0.338 199 Y C -0.861 174.793 175.900 -0.410 0.000 0.992 199 Y CA -0.959 56.888 58.100 -0.421 0.000 1.121 199 Y CB 0.965 39.066 38.460 -0.598 0.000 1.184 199 Y HN 0.451 nan 8.280 nan 0.000 0.469 200 L N 7.587 128.219 121.223 -0.985 0.000 2.334 200 L HA 0.207 4.548 4.340 0.001 0.000 0.286 200 L C 1.052 177.279 176.870 -1.072 0.000 1.108 200 L CA 0.376 54.744 54.840 -0.786 0.000 0.875 200 L CB -0.432 41.326 42.059 -0.502 0.000 1.246 200 L HN 0.821 nan 8.230 nan 0.000 0.439 201 H N 4.999 123.601 119.070 -0.780 0.000 2.319 201 H HA -0.059 4.498 4.556 0.001 0.000 0.299 201 H C -0.011 174.971 175.328 -0.576 0.000 1.092 201 H CA 1.986 57.682 56.048 -0.588 0.000 1.302 201 H CB 0.092 29.539 29.762 -0.526 0.000 1.373 201 H HN 0.586 nan 8.280 nan 0.000 0.497 202 F N -3.066 116.625 119.950 -0.431 0.000 2.773 202 F HA 0.530 5.058 4.527 0.001 0.000 0.314 202 F C 0.349 175.975 175.800 -0.291 0.000 1.160 202 F CA -0.460 57.315 58.000 -0.374 0.000 0.920 202 F CB 0.842 39.562 39.000 -0.467 0.000 1.323 202 F HN 0.333 nan 8.300 nan 0.000 0.457 203 G N 0.724 109.604 108.800 0.133 0.000 2.548 203 G HA2 0.124 4.084 3.960 0.001 0.000 0.208 203 G HA3 0.124 4.084 3.960 0.001 0.000 0.208 203 G C -1.268 173.647 174.900 0.026 0.000 1.308 203 G CA -0.489 44.663 45.100 0.087 0.000 0.924 203 G HN 0.881 nan 8.290 nan 0.000 0.540 204 E N 1.268 121.505 120.200 0.062 0.000 2.374 204 E HA 0.448 4.798 4.350 0.001 0.000 0.260 204 E C -1.965 174.599 176.600 -0.060 0.000 1.101 204 E CA -1.394 55.051 56.400 0.075 0.000 0.907 204 E CB 0.151 29.977 29.700 0.211 0.000 1.014 204 E HN 0.285 nan 8.360 nan 0.000 0.427 205 P HA 0.024 nan 4.420 nan 0.000 0.270 205 P C -0.421 176.618 177.300 -0.435 0.000 1.227 205 P CA 0.191 63.032 63.100 -0.432 0.000 0.788 205 P CB 0.489 31.727 31.700 -0.770 0.000 0.926 206 K N 1.189 121.394 120.400 -0.325 0.000 2.274 206 K HA 0.435 4.756 4.320 0.001 0.000 0.262 206 K C -0.805 175.637 176.600 -0.264 0.000 0.961 206 K CA -0.354 55.783 56.287 -0.251 0.000 0.833 206 K CB 0.639 33.060 32.500 -0.133 0.000 1.102 206 K HN 0.345 nan 8.250 nan 0.000 0.436 207 S N 2.835 118.241 115.700 -0.491 0.000 2.565 207 S HA 0.513 4.983 4.470 0.001 0.000 0.290 207 S C -1.396 172.875 174.600 -0.548 0.000 1.150 207 S CA -0.624 57.282 58.200 -0.489 0.000 1.058 207 S CB 0.500 63.294 63.200 -0.676 0.000 1.032 207 S HN 0.459 nan 8.310 nan 0.000 0.510 208 W N 1.260 122.288 121.300 -0.453 0.000 2.915 208 W HA 0.579 5.239 4.660 0.001 0.000 0.337 208 W C -1.326 174.940 176.519 -0.421 0.000 1.102 208 W CA -0.695 56.478 57.345 -0.288 0.000 1.224 208 W CB 0.687 30.129 29.460 -0.030 0.000 1.416 208 W HN 0.544 nan 8.180 nan 0.000 0.503 209 Y N 1.266 121.696 120.300 0.217 0.000 2.429 209 Y HA 0.659 5.210 4.550 0.001 0.000 0.342 209 Y C 0.297 176.420 175.900 0.373 0.000 1.004 209 Y CA -1.011 57.257 58.100 0.281 0.000 1.075 209 Y CB 2.512 41.051 38.460 0.131 0.000 1.214 209 Y HN 0.246 nan 8.280 nan 0.000 0.455 210 S N 1.465 117.578 115.700 0.688 0.000 2.548 210 S HA 0.719 5.190 4.470 0.001 0.000 0.276 210 S C -1.743 173.214 174.600 0.596 0.000 1.129 210 S CA -0.605 57.961 58.200 0.610 0.000 0.931 210 S CB 1.104 64.546 63.200 0.404 0.000 1.068 210 S HN 0.385 nan 8.310 nan 0.000 0.480 211 V N 5.764 125.991 119.914 0.520 0.000 2.417 211 V HA 0.470 4.591 4.120 0.001 0.000 0.291 211 V C -2.334 173.904 176.094 0.241 0.000 1.024 211 V CA -2.125 60.383 62.300 0.347 0.000 0.861 211 V CB 1.580 33.527 31.823 0.207 0.000 0.985 211 V HN 0.711 nan 8.190 nan 0.000 0.436 212 P HA 0.095 nan 4.420 nan 0.000 0.261 212 P C -2.069 175.255 177.300 0.040 0.000 1.183 212 P CA -0.843 62.325 63.100 0.113 0.000 0.761 212 P CB 0.144 31.931 31.700 0.147 0.000 0.785 213 P HA -0.255 nan 4.420 nan 0.000 0.218 213 P C 1.222 178.342 177.300 -0.300 0.000 1.150 213 P CA 1.602 64.628 63.100 -0.125 0.000 0.841 213 P CB -0.309 31.344 31.700 -0.080 0.000 0.784 214 E N -1.942 118.114 120.200 -0.241 0.000 2.478 214 E HA -0.179 4.172 4.350 0.001 0.000 0.198 214 E C 0.728 177.062 176.600 -0.444 0.000 1.046 214 E CA 0.916 57.168 56.400 -0.247 0.000 0.870 214 E CB -0.662 28.901 29.700 -0.228 0.000 0.818 214 E HN 0.461 nan 8.360 nan 0.000 0.527 215 H N -0.359 118.750 119.070 0.065 0.000 2.674 215 H HA 0.227 4.783 4.556 0.001 0.000 0.274 215 H C 1.764 177.129 175.328 0.062 0.000 1.121 215 H CA 0.361 56.450 56.048 0.068 0.000 1.132 215 H CB 0.857 30.650 29.762 0.052 0.000 1.606 215 H HN 0.299 nan 8.280 nan 0.000 0.558 216 G N 1.696 110.581 108.800 0.142 0.000 2.503 216 G HA2 -0.277 3.684 3.960 0.001 0.000 0.221 216 G HA3 -0.277 3.684 3.960 0.001 0.000 0.221 216 G C 1.831 176.828 174.900 0.162 0.000 1.131 216 G CA 0.545 45.708 45.100 0.105 0.000 0.756 216 G HN 0.170 nan 8.290 nan 0.000 0.572 217 K N -0.004 120.552 120.400 0.260 0.000 2.228 217 K HA 0.091 4.411 4.320 0.001 0.000 0.202 217 K C 2.418 179.066 176.600 0.081 0.000 1.051 217 K CA 0.366 56.779 56.287 0.210 0.000 0.960 217 K CB -0.162 32.454 32.500 0.193 0.000 0.743 217 K HN 0.287 nan 8.250 nan 0.000 0.458 218 R N 0.759 121.299 120.500 0.067 0.000 2.070 218 R HA -0.110 4.230 4.340 0.001 0.000 0.233 218 R C 2.302 178.551 176.300 -0.084 0.000 1.137 218 R CA 1.127 57.237 56.100 0.017 0.000 0.945 218 R CB -0.477 29.859 30.300 0.059 0.000 0.845 218 R HN 0.022 nan 8.270 nan 0.000 0.430 219 L N 1.590 122.707 121.223 -0.177 0.000 2.021 219 L HA -0.231 4.110 4.340 0.001 0.000 0.215 219 L C 1.708 178.361 176.870 -0.362 0.000 1.074 219 L CA 1.961 56.574 54.840 -0.379 0.000 0.760 219 L CB -0.420 41.235 42.059 -0.672 0.000 0.889 219 L HN 0.281 nan 8.230 nan 0.000 0.433 220 E N -1.082 118.943 120.200 -0.291 0.000 2.110 220 E HA -0.221 4.129 4.350 0.001 0.000 0.193 220 E C 2.290 178.853 176.600 -0.061 0.000 0.988 220 E CA 1.078 57.371 56.400 -0.179 0.000 0.804 220 E CB -0.099 29.590 29.700 -0.018 0.000 0.745 220 E HN 0.511 nan 8.360 nan 0.000 0.458 221 R N 0.354 120.826 120.500 -0.046 0.000 2.066 221 R HA -0.117 4.223 4.340 0.001 0.000 0.232 221 R C 2.495 178.748 176.300 -0.079 0.000 1.131 221 R CA 0.759 56.838 56.100 -0.035 0.000 0.955 221 R CB -0.394 29.891 30.300 -0.025 0.000 0.851 221 R HN 0.103 nan 8.270 nan 0.000 0.432 222 L N 0.982 122.139 121.223 -0.110 0.000 1.990 222 L HA -0.212 4.128 4.340 0.001 0.000 0.213 222 L C 2.300 179.146 176.870 -0.041 0.000 1.072 222 L CA 2.245 56.996 54.840 -0.148 0.000 0.755 222 L CB -0.692 41.284 42.059 -0.138 0.000 0.889 222 L HN 0.167 nan 8.230 nan 0.000 0.432 223 A N -0.602 122.240 122.820 0.035 0.000 1.908 223 A HA -0.231 4.089 4.320 0.001 0.000 0.218 223 A C 2.543 180.395 177.584 0.446 0.000 1.181 223 A CA 2.858 55.068 52.037 0.288 0.000 0.627 223 A CB -1.088 17.996 19.000 0.139 0.000 0.818 223 A HN 0.499 nan 8.150 nan 0.000 0.445 224 K N -0.892 119.671 120.400 0.272 0.000 2.155 224 K HA 0.121 4.441 4.320 0.001 0.000 0.203 224 K C 2.319 178.931 176.600 0.020 0.000 1.052 224 K CA 1.557 57.985 56.287 0.234 0.000 0.948 224 K CB -1.694 30.912 32.500 0.176 0.000 0.728 224 K HN 0.670 nan 8.250 nan 0.000 0.448 225 G N -0.359 108.366 108.800 -0.126 0.000 2.440 225 G HA2 -0.133 3.827 3.960 0.001 0.000 0.218 225 G HA3 -0.133 3.827 3.960 0.001 0.000 0.218 225 G C 1.580 176.204 174.900 -0.459 0.000 1.154 225 G CA 1.050 45.940 45.100 -0.351 0.000 0.767 225 G HN 0.527 nan 8.290 nan 0.000 0.552 226 F N -1.259 118.540 119.950 -0.251 0.000 2.569 226 F HA 0.365 4.892 4.527 0.001 0.000 0.295 226 F C 0.484 175.823 175.800 -0.767 0.000 1.115 226 F CA -0.099 57.579 58.000 -0.536 0.000 1.450 226 F CB 0.451 39.018 39.000 -0.721 0.000 1.107 226 F HN -0.026 nan 8.300 nan 0.000 0.563 227 F N 0.671 120.648 119.950 0.045 0.000 2.542 227 F HA 0.291 4.819 4.527 0.001 0.000 0.323 227 F C -1.762 173.902 175.800 -0.227 0.000 1.411 227 F CA -1.967 55.963 58.000 -0.117 0.000 1.124 227 F CB 0.197 39.062 39.000 -0.225 0.000 1.331 227 F HN -0.221 nan 8.300 nan 0.000 0.560 228 P HA -0.106 nan 4.420 nan 0.000 0.217 228 P C 1.836 179.098 177.300 -0.065 0.000 1.151 228 P CA 1.399 64.463 63.100 -0.059 0.000 0.828 228 P CB 0.300 31.963 31.700 -0.062 0.000 0.788 229 G N 0.521 109.294 108.800 -0.046 0.000 2.491 229 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 229 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 229 G C 1.822 176.670 174.900 -0.086 0.000 1.180 229 G CA 1.295 46.373 45.100 -0.037 0.000 0.774 229 G HN 0.225 nan 8.290 nan 0.000 0.562 230 S N 1.036 116.623 115.700 -0.189 0.000 2.370 230 S HA -0.082 4.388 4.470 0.001 0.000 0.226 230 S C 2.777 177.146 174.600 -0.386 0.000 1.033 230 S CA 1.396 59.363 58.200 -0.390 0.000 1.011 230 S CB -0.447 62.224 63.200 -0.881 0.000 0.852 230 S HN 0.638 nan 8.310 nan 0.000 0.457 231 A N 1.051 123.650 122.820 -0.369 0.000 1.902 231 A HA -0.149 4.171 4.320 0.001 0.000 0.217 231 A C 2.093 179.696 177.584 0.032 0.000 1.181 231 A CA 1.889 53.903 52.037 -0.037 0.000 0.623 231 A CB -1.086 17.943 19.000 0.048 0.000 0.818 231 A HN 0.458 nan 8.150 nan 0.000 0.443 232 Q N -0.223 119.575 119.800 -0.004 0.000 2.297 232 Q HA -0.115 4.225 4.340 0.001 0.000 0.208 232 Q C 2.196 178.219 176.000 0.038 0.000 0.981 232 Q CA 2.069 57.884 55.803 0.019 0.000 0.876 232 Q CB -0.596 28.145 28.738 0.006 0.000 0.921 232 Q HN 0.831 nan 8.270 nan 0.000 0.446 233 S N -1.769 113.956 115.700 0.043 0.000 2.470 233 S HA 0.232 4.703 4.470 0.001 0.000 0.222 233 S C 0.491 175.161 174.600 0.117 0.000 1.024 233 S CA 0.382 58.626 58.200 0.072 0.000 0.931 233 S CB 0.410 63.655 63.200 0.074 0.000 0.791 233 S HN 0.649 nan 8.310 nan 0.000 0.513 234 C N 2.748 122.136 119.300 0.146 0.000 2.752 234 C HA 0.315 4.776 4.460 0.001 0.000 0.360 234 C C 0.944 176.048 174.990 0.189 0.000 1.081 234 C CA -0.822 58.307 59.018 0.185 0.000 1.272 234 C CB 1.106 29.008 27.740 0.270 0.000 1.754 234 C HN 0.642 nan 8.230 nan 0.000 0.483 235 E N 3.222 123.508 120.200 0.143 0.000 2.478 235 E HA 0.105 4.455 4.350 0.001 0.000 0.198 235 E C 0.733 177.404 176.600 0.119 0.000 1.046 235 E CA 0.948 57.425 56.400 0.129 0.000 0.870 235 E CB 0.267 30.023 29.700 0.095 0.000 0.818 235 E HN 0.675 nan 8.360 nan 0.000 0.527 236 A N 1.168 124.044 122.820 0.094 0.000 3.176 236 A HA 0.310 4.631 4.320 0.001 0.000 0.265 236 A C 0.529 178.020 177.584 -0.155 0.000 0.936 236 A CA -0.696 51.347 52.037 0.010 0.000 1.033 236 A CB -0.890 18.138 19.000 0.047 0.000 1.158 236 A HN 0.377 nan 8.150 nan 0.000 0.485 237 F N -1.054 118.771 119.950 -0.209 0.000 2.333 237 F HA -0.026 4.501 4.527 0.001 0.000 0.300 237 F C 1.103 176.622 175.800 -0.468 0.000 1.083 237 F CA 1.055 58.723 58.000 -0.553 0.000 1.395 237 F CB -0.558 38.307 39.000 -0.226 0.000 1.056 237 F HN 0.248 nan 8.300 nan 0.000 0.529 238 L N 0.588 121.250 121.223 -0.934 0.000 2.265 238 L HA -0.094 4.246 4.340 0.001 0.000 0.215 238 L C 2.516 179.308 176.870 -0.131 0.000 1.117 238 L CA 0.898 55.448 54.840 -0.482 0.000 0.782 238 L CB -0.639 41.222 42.059 -0.329 0.000 0.914 238 L HN 0.147 nan 8.230 nan 0.000 0.441 239 R N -0.694 119.723 120.500 -0.139 0.000 2.241 239 R HA -0.131 4.209 4.340 0.001 0.000 0.224 239 R C 1.748 178.108 176.300 0.100 0.000 1.101 239 R CA 0.936 57.044 56.100 0.013 0.000 0.995 239 R CB -0.492 29.837 30.300 0.048 0.000 0.870 239 R HN 0.609 nan 8.270 nan 0.000 0.463 240 H N 0.743 119.848 119.070 0.059 0.000 2.524 240 H HA 0.046 4.603 4.556 0.001 0.000 0.282 240 H C 0.156 175.497 175.328 0.020 0.000 1.016 240 H CA 0.013 56.088 56.048 0.046 0.000 1.270 240 H CB 0.106 29.903 29.762 0.059 0.000 1.394 240 H HN -0.019 nan 8.280 nan 0.000 0.568 241 K N -0.361 120.113 120.400 0.124 0.000 3.150 241 K HA -0.223 4.097 4.320 0.001 0.000 0.267 241 K C -0.030 176.608 176.600 0.064 0.000 1.028 241 K CA 0.582 56.911 56.287 0.069 0.000 0.753 241 K CB -1.124 31.367 32.500 -0.014 0.000 1.288 241 K HN 0.444 nan 8.250 nan 0.000 0.473 242 M N -0.877 118.758 119.600 0.059 0.000 2.300 242 M HA 0.030 4.510 4.480 0.001 0.000 0.313 242 M C -0.134 176.160 176.300 -0.009 0.000 0.988 242 M CA 0.171 55.467 55.300 -0.006 0.000 1.012 242 M CB 1.305 33.853 32.600 -0.086 0.000 1.586 242 M HN -0.008 nan 8.290 nan 0.000 0.562 243 T N 2.443 117.020 114.554 0.038 0.000 2.743 243 T HA 0.609 4.960 4.350 0.001 0.000 0.292 243 T C -0.488 174.356 174.700 0.240 0.000 0.972 243 T CA -0.193 61.919 62.100 0.019 0.000 0.967 243 T CB 1.036 69.870 68.868 -0.056 0.000 0.926 243 T HN 0.106 nan 8.240 nan 0.000 0.459 244 L N 4.766 126.180 121.223 0.318 0.000 2.341 244 L HA 0.677 5.017 4.340 0.001 0.000 0.278 244 L C -0.540 176.698 176.870 0.613 0.000 1.005 244 L CA -0.809 54.329 54.840 0.497 0.000 0.818 244 L CB 1.549 43.856 42.059 0.414 0.000 1.259 244 L HN 0.527 nan 8.230 nan 0.000 0.418 245 I N 1.921 122.886 120.570 0.659 0.000 2.548 245 I HA 0.243 4.413 4.170 0.001 0.000 0.287 245 I C 0.065 176.200 176.117 0.029 0.000 1.103 245 I CA -0.444 61.035 61.300 0.298 0.000 1.049 245 I CB 2.350 40.389 38.000 0.066 0.000 1.232 245 I HN 0.625 nan 8.210 nan 0.000 0.429 246 S N 6.232 121.662 115.700 -0.450 0.000 2.603 246 S HA 0.374 4.844 4.470 0.001 0.000 0.268 246 S C -1.679 172.411 174.600 -0.850 0.000 1.317 246 S CA -0.957 56.467 58.200 -1.292 0.000 1.012 246 S CB 0.957 63.415 63.200 -1.236 0.000 0.926 246 S HN 0.465 nan 8.310 nan 0.000 0.539 247 P HA -0.082 nan 4.420 nan 0.000 0.219 247 P C 1.495 178.580 177.300 -0.358 0.000 1.146 247 P CA 0.973 63.617 63.100 -0.759 0.000 0.808 247 P CB -0.165 31.254 31.700 -0.469 0.000 0.779 248 L N -1.838 119.191 121.223 -0.324 0.000 2.083 248 L HA -0.140 4.201 4.340 0.001 0.000 0.209 248 L C 2.746 179.549 176.870 -0.112 0.000 1.083 248 L CA 1.243 55.991 54.840 -0.154 0.000 0.752 248 L CB -0.841 41.132 42.059 -0.144 0.000 0.899 248 L HN -0.047 nan 8.230 nan 0.000 0.433 249 M N -0.528 118.964 119.600 -0.180 0.000 2.123 249 M HA -0.118 4.362 4.480 0.001 0.000 0.263 249 M C 2.409 178.738 176.300 0.049 0.000 1.069 249 M CA 1.590 56.860 55.300 -0.051 0.000 1.133 249 M CB -0.792 31.689 32.600 -0.198 0.000 1.356 249 M HN 0.228 nan 8.290 nan 0.000 0.415 250 L N -0.130 121.016 121.223 -0.127 0.000 2.013 250 L HA -0.288 4.053 4.340 0.001 0.000 0.212 250 L C 2.614 179.553 176.870 0.115 0.000 1.073 250 L CA 1.574 56.366 54.840 -0.079 0.000 0.753 250 L CB -0.941 40.919 42.059 -0.333 0.000 0.890 250 L HN 0.363 nan 8.230 nan 0.000 0.432 251 K N 0.783 121.279 120.400 0.161 0.000 2.057 251 K HA -0.238 4.083 4.320 0.001 0.000 0.207 251 K C 2.257 178.896 176.600 0.065 0.000 1.049 251 K CA 1.519 57.921 56.287 0.192 0.000 0.931 251 K CB -0.010 32.615 32.500 0.207 0.000 0.714 251 K HN 0.134 nan 8.250 nan 0.000 0.440 252 K N -0.393 120.020 120.400 0.021 0.000 2.147 252 K HA -0.164 4.156 4.320 0.001 0.000 0.205 252 K C 0.915 177.342 176.600 -0.288 0.000 1.049 252 K CA 1.409 57.615 56.287 -0.136 0.000 0.936 252 K CB 0.002 32.396 32.500 -0.177 0.000 0.722 252 K HN 0.205 nan 8.250 nan 0.000 0.446 253 Y N -0.419 119.882 120.300 0.003 0.000 2.485 253 Y HA 0.240 4.791 4.550 0.001 0.000 0.260 253 Y C 1.064 176.959 175.900 -0.010 0.000 1.173 253 Y CA 0.273 58.375 58.100 0.003 0.000 1.252 253 Y CB 1.068 39.542 38.460 0.023 0.000 1.123 253 Y HN 0.300 nan 8.280 nan 0.000 0.524 254 G N 0.711 109.554 108.800 0.072 0.000 2.147 254 G HA2 -0.257 3.704 3.960 0.001 0.000 0.244 254 G HA3 -0.257 3.704 3.960 0.001 0.000 0.244 254 G C -0.223 174.696 174.900 0.032 0.000 1.005 254 G CA -0.106 45.014 45.100 0.033 0.000 0.713 254 G HN 0.124 nan 8.290 nan 0.000 0.515 255 I N 1.992 122.607 120.570 0.075 0.000 2.379 255 I HA 0.287 4.457 4.170 0.001 0.000 0.290 255 I C -1.518 174.691 176.117 0.153 0.000 1.063 255 I CA -3.430 57.905 61.300 0.058 0.000 1.351 255 I CB 0.111 38.107 38.000 -0.006 0.000 1.410 255 I HN -0.044 nan 8.210 nan 0.000 0.505 256 P HA 0.362 nan 4.420 nan 0.000 0.271 256 P C -0.882 176.573 177.300 0.258 0.000 1.216 256 P CA 0.119 63.264 63.100 0.074 0.000 0.776 256 P CB 0.665 32.334 31.700 -0.051 0.000 0.881 257 F N -0.782 119.234 119.950 0.110 0.000 2.713 257 F HA 0.728 5.255 4.527 0.001 0.000 0.311 257 F C -1.731 174.193 175.800 0.208 0.000 1.141 257 F CA -1.066 57.053 58.000 0.198 0.000 0.939 257 F CB 1.232 40.390 39.000 0.263 0.000 1.325 257 F HN 0.113 nan 8.300 nan 0.000 0.453 258 D N 0.562 121.151 120.400 0.314 0.000 2.523 258 D HA 0.544 5.185 4.640 0.001 0.000 0.236 258 D C -1.642 174.918 176.300 0.434 0.000 1.094 258 D CA -0.521 53.594 54.000 0.191 0.000 0.942 258 D CB 2.705 43.573 40.800 0.113 0.000 1.447 258 D HN 0.702 nan 8.370 nan 0.000 0.479 259 K N 0.155 120.735 120.400 0.299 0.000 2.328 259 K HA 0.765 5.085 4.320 0.001 0.000 0.246 259 K C -1.317 175.317 176.600 0.056 0.000 0.955 259 K CA -1.120 55.299 56.287 0.219 0.000 0.817 259 K CB 3.024 35.694 32.500 0.283 0.000 1.208 259 K HN 0.138 nan 8.250 nan 0.000 0.432 260 V N 0.762 120.656 119.914 -0.033 0.000 3.048 260 V HA 0.393 4.513 4.120 0.001 0.000 0.303 260 V C -1.603 174.395 176.094 -0.161 0.000 1.214 260 V CA -0.350 61.884 62.300 -0.109 0.000 0.984 260 V CB 2.649 34.412 31.823 -0.101 0.000 1.054 260 V HN 0.847 nan 8.190 nan 0.000 0.430 261 T N 5.215 119.623 114.554 -0.243 0.000 2.771 261 T HA 0.399 4.749 4.350 0.001 0.000 0.281 261 T C -0.638 173.967 174.700 -0.157 0.000 0.982 261 T CA -0.085 61.866 62.100 -0.250 0.000 0.978 261 T CB 1.205 69.822 68.868 -0.419 0.000 0.930 261 T HN 0.776 nan 8.240 nan 0.000 0.447 262 Q N 3.048 122.804 119.800 -0.074 0.000 2.274 262 Q HA 0.280 4.620 4.340 0.001 0.000 0.256 262 Q C -0.474 175.437 176.000 -0.148 0.000 0.927 262 Q CA -0.379 55.370 55.803 -0.089 0.000 0.939 262 Q CB 0.856 29.627 28.738 0.055 0.000 1.201 262 Q HN 0.620 nan 8.270 nan 0.000 0.426 263 E N 1.297 121.404 120.200 -0.156 0.000 2.239 263 E HA 0.517 4.867 4.350 0.001 0.000 0.261 263 E C -0.825 175.656 176.600 -0.198 0.000 1.016 263 E CA -0.871 55.433 56.400 -0.159 0.000 0.882 263 E CB 1.285 30.921 29.700 -0.106 0.000 1.190 263 E HN 0.770 nan 8.360 nan 0.000 0.415 264 A N 0.186 122.897 122.820 -0.182 0.000 2.540 264 A HA 0.373 4.693 4.320 0.001 0.000 0.239 264 A C 1.057 178.505 177.584 -0.227 0.000 1.061 264 A CA 0.974 52.870 52.037 -0.235 0.000 0.758 264 A CB -0.633 18.289 19.000 -0.131 0.000 0.991 264 A HN 0.810 nan 8.150 nan 0.000 0.502 265 G N 1.482 110.050 108.800 -0.387 0.000 2.157 265 G HA2 -0.169 3.791 3.960 0.001 0.000 0.239 265 G HA3 -0.169 3.791 3.960 0.001 0.000 0.239 265 G C -0.133 174.693 174.900 -0.123 0.000 0.982 265 G CA 0.455 45.452 45.100 -0.171 0.000 0.650 265 G HN 0.886 nan 8.290 nan 0.000 0.527 266 E N -0.789 119.201 120.200 -0.351 0.000 2.238 266 E HA 0.651 5.002 4.350 0.001 0.000 0.267 266 E C -0.817 175.642 176.600 -0.234 0.000 0.887 266 E CA -0.908 55.385 56.400 -0.179 0.000 0.769 266 E CB 1.332 30.942 29.700 -0.150 0.000 1.187 266 E HN 0.108 nan 8.360 nan 0.000 0.416 267 F N 1.938 121.936 119.950 0.081 0.000 2.399 267 F HA 0.380 4.907 4.527 0.001 0.000 0.334 267 F C 0.333 176.129 175.800 -0.006 0.000 1.097 267 F CA -0.653 57.437 58.000 0.150 0.000 1.076 267 F CB 0.875 40.047 39.000 0.287 0.000 1.162 267 F HN 0.132 nan 8.300 nan 0.000 0.495 268 M N 4.417 124.081 119.600 0.107 0.000 2.528 268 M HA 0.478 4.959 4.480 0.001 0.000 0.321 268 M C -0.914 175.364 176.300 -0.036 0.000 1.153 268 M CA -0.701 54.495 55.300 -0.174 0.000 0.951 268 M CB 2.041 34.149 32.600 -0.820 0.000 1.705 268 M HN 0.279 nan 8.290 nan 0.000 0.451 269 I N 1.976 122.495 120.570 -0.086 0.000 2.436 269 I HA 0.385 4.555 4.170 0.001 0.000 0.289 269 I C 0.298 176.201 176.117 -0.355 0.000 1.010 269 I CA -0.359 60.866 61.300 -0.125 0.000 1.098 269 I CB 1.932 39.870 38.000 -0.103 0.000 1.266 269 I HN 0.715 nan 8.210 nan 0.000 0.434 270 T N 3.544 117.867 114.554 -0.386 0.000 2.895 270 T HA 0.735 5.085 4.350 0.001 0.000 0.283 270 T C -0.635 173.737 174.700 -0.546 0.000 1.014 270 T CA -0.324 61.543 62.100 -0.388 0.000 1.037 270 T CB 1.235 69.821 68.868 -0.470 0.000 1.006 270 T HN 0.139 nan 8.240 nan 0.000 0.468 271 F N 1.675 121.493 119.950 -0.219 0.000 2.523 271 F HA 0.555 5.082 4.527 0.001 0.000 0.329 271 F C -2.150 173.315 175.800 -0.559 0.000 1.061 271 F CA -2.768 54.950 58.000 -0.470 0.000 0.967 271 F CB 1.252 40.115 39.000 -0.229 0.000 1.218 271 F HN 0.379 nan 8.300 nan 0.000 0.480 272 P HA -0.116 nan 4.420 nan 0.000 0.261 272 P C -0.399 176.728 177.300 -0.289 0.000 1.173 272 P CA 0.798 63.515 63.100 -0.638 0.000 0.760 272 P CB -0.082 30.824 31.700 -1.324 0.000 0.783 273 Y N 1.294 121.469 120.300 -0.208 0.000 4.604 273 Y HA -0.235 4.316 4.550 0.001 0.000 0.230 273 Y C 0.758 176.588 175.900 -0.116 0.000 1.066 273 Y CA 1.372 59.413 58.100 -0.097 0.000 1.990 273 Y CB -1.730 36.808 38.460 0.129 0.000 1.619 273 Y HN 0.485 nan 8.280 nan 0.000 0.649 274 G N 0.955 109.680 108.800 -0.125 0.000 2.391 274 G HA2 0.344 4.305 3.960 0.001 0.000 0.305 274 G HA3 0.344 4.305 3.960 0.001 0.000 0.305 274 G C -0.700 174.219 174.900 0.031 0.000 1.072 274 G CA -0.352 44.741 45.100 -0.012 0.000 1.016 274 G HN 0.325 nan 8.290 nan 0.000 0.418 275 Y N 3.686 124.022 120.300 0.060 0.000 2.442 275 Y HA 0.235 4.785 4.550 0.001 0.000 0.330 275 Y C 1.282 177.467 175.900 0.475 0.000 1.129 275 Y CA 0.235 58.439 58.100 0.174 0.000 1.365 275 Y CB 0.628 39.158 38.460 0.115 0.000 1.233 275 Y HN 0.660 nan 8.280 nan 0.000 0.529 276 H N 1.084 120.380 119.070 0.378 0.000 2.980 276 H HA 0.928 5.484 4.556 0.001 0.000 0.367 276 H C -1.657 173.592 175.328 -0.132 0.000 1.206 276 H CA -1.435 54.745 56.048 0.221 0.000 1.126 276 H CB 1.470 31.438 29.762 0.343 0.000 1.838 276 H HN 0.661 nan 8.280 nan 0.000 0.552 277 A N 0.373 122.917 122.820 -0.460 0.000 2.610 277 A HA 0.849 5.170 4.320 0.001 0.000 0.291 277 A C -0.455 176.465 177.584 -1.106 0.000 1.086 277 A CA -0.186 51.281 52.037 -0.949 0.000 0.677 277 A CB 1.793 19.777 19.000 -1.693 0.000 1.278 277 A HN 1.447 nan 8.150 nan 0.000 0.414 278 G N -1.120 106.617 108.800 -1.770 0.000 2.335 278 G HA2 0.706 4.667 3.960 0.001 0.000 0.291 278 G HA3 0.706 4.667 3.960 0.001 0.000 0.291 278 G C -1.293 172.965 174.900 -1.070 0.000 1.261 278 G CA 0.273 44.590 45.100 -1.305 0.000 0.871 278 G HN 2.155 nan 8.290 nan 0.000 0.491 279 F N -1.229 118.242 119.950 -0.798 0.000 2.668 279 F HA 0.742 5.270 4.527 0.001 0.000 0.309 279 F C -1.052 174.585 175.800 -0.272 0.000 1.117 279 F CA -1.582 56.040 58.000 -0.630 0.000 0.951 279 F CB 1.155 39.429 39.000 -1.210 0.000 1.323 279 F HN 0.374 nan 8.300 nan 0.000 0.451 280 N N 0.878 119.556 118.700 -0.037 0.000 2.498 280 N HA 0.212 4.953 4.740 0.001 0.000 0.287 280 N C 0.340 176.100 175.510 0.417 0.000 1.097 280 N CA -0.466 52.633 53.050 0.082 0.000 0.973 280 N CB 1.185 39.676 38.487 0.007 0.000 1.153 280 N HN 0.838 nan 8.380 nan 0.000 0.472 281 H N 0.303 119.525 119.070 0.252 0.000 2.448 281 H HA 0.111 4.667 4.556 0.001 0.000 0.292 281 H C 1.093 176.709 175.328 0.481 0.000 1.035 281 H CA 0.267 56.580 56.048 0.440 0.000 1.349 281 H CB 0.821 30.723 29.762 0.233 0.000 1.425 281 H HN 0.679 nan 8.280 nan 0.000 0.539 282 G N -0.158 108.930 108.800 0.479 0.000 2.428 282 G HA2 0.158 4.119 3.960 0.001 0.000 0.305 282 G HA3 0.158 4.119 3.960 0.001 0.000 0.305 282 G C -1.743 173.386 174.900 0.382 0.000 1.260 282 G CA -0.899 44.457 45.100 0.427 0.000 0.853 282 G HN 0.075 nan 8.290 nan 0.000 0.480 283 F N 2.919 123.029 119.950 0.266 0.000 2.578 283 F HA 0.497 5.024 4.527 0.001 0.000 0.381 283 F C 0.285 176.252 175.800 0.279 0.000 1.069 283 F CA -0.390 57.793 58.000 0.304 0.000 1.231 283 F CB 0.066 39.242 39.000 0.294 0.000 1.086 283 F HN 0.796 nan 8.300 nan 0.000 0.564 284 N N 4.324 122.744 118.700 -0.467 0.000 3.046 284 N HA 0.362 5.103 4.740 0.001 0.000 0.243 284 N C -2.083 172.992 175.510 -0.724 0.000 1.452 284 N CA -0.888 51.821 53.050 -0.568 0.000 0.882 284 N CB 1.224 39.541 38.487 -0.284 0.000 1.425 284 N HN 0.673 nan 8.380 nan 0.000 0.517 285 C N 0.586 119.241 119.300 -1.076 0.000 2.535 285 C HA 0.958 5.418 4.460 0.001 0.000 0.319 285 C C -0.804 173.768 174.990 -0.697 0.000 1.171 285 C CA 0.073 58.445 59.018 -1.078 0.000 1.394 285 C CB -0.068 26.725 27.740 -1.578 0.000 1.990 285 C HN 0.980 nan 8.230 nan 0.000 0.466 286 A N 4.280 126.851 122.820 -0.415 0.000 2.413 286 A HA 0.878 5.198 4.320 0.001 0.000 0.307 286 A C -1.113 176.485 177.584 0.024 0.000 1.087 286 A CA -0.409 51.514 52.037 -0.190 0.000 0.750 286 A CB 1.350 20.255 19.000 -0.158 0.000 1.296 286 A HN 0.908 nan 8.150 nan 0.000 0.423 287 E N 0.431 120.709 120.200 0.130 0.000 2.248 287 E HA 0.635 4.986 4.350 0.001 0.000 0.267 287 E C -1.252 175.503 176.600 0.259 0.000 0.877 287 E CA -0.354 56.211 56.400 0.274 0.000 0.759 287 E CB 1.789 31.781 29.700 0.486 0.000 1.182 287 E HN 0.613 nan 8.360 nan 0.000 0.418 288 S N 2.080 117.951 115.700 0.285 0.000 2.556 288 S HA 0.695 5.165 4.470 0.001 0.000 0.271 288 S C -1.319 173.384 174.600 0.171 0.000 1.135 288 S CA -0.258 58.080 58.200 0.230 0.000 0.858 288 S CB 2.144 65.481 63.200 0.229 0.000 1.114 288 S HN 0.531 nan 8.310 nan 0.000 0.468 289 T N 2.085 116.702 114.554 0.106 0.000 2.693 289 T HA 0.468 4.819 4.350 0.001 0.000 0.304 289 T C -1.688 173.036 174.700 0.040 0.000 1.471 289 T CA -0.639 61.475 62.100 0.024 0.000 0.993 289 T CB 0.997 69.843 68.868 -0.037 0.000 1.554 289 T HN 0.720 nan 8.240 nan 0.000 0.496 290 N N 0.023 118.710 118.700 -0.022 0.000 2.472 290 N HA 0.801 5.542 4.740 0.001 0.000 0.289 290 N C -1.078 174.426 175.510 -0.011 0.000 1.156 290 N CA -0.640 52.370 53.050 -0.066 0.000 0.940 290 N CB 1.210 39.604 38.487 -0.155 0.000 1.200 290 N HN 0.534 nan 8.380 nan 0.000 0.511 291 F N -1.326 118.504 119.950 -0.200 0.000 2.685 291 F HA 0.902 5.429 4.527 0.001 0.000 0.315 291 F C -1.498 174.108 175.800 -0.322 0.000 1.126 291 F CA -1.302 56.545 58.000 -0.254 0.000 0.950 291 F CB 0.896 39.768 39.000 -0.213 0.000 1.360 291 F HN 0.446 nan 8.300 nan 0.000 0.469 292 A N 0.733 123.404 122.820 -0.249 0.000 2.380 292 A HA 0.880 5.200 4.320 0.001 0.000 0.315 292 A C -0.469 177.030 177.584 -0.142 0.000 1.101 292 A CA -0.154 51.686 52.037 -0.327 0.000 0.771 292 A CB 1.363 20.078 19.000 -0.475 0.000 1.287 292 A HN 1.290 nan 8.150 nan 0.000 0.436 293 T N -1.718 112.802 114.554 -0.057 0.000 2.807 293 T HA 0.498 4.849 4.350 0.001 0.000 0.277 293 T C 0.895 175.625 174.700 0.050 0.000 1.006 293 T CA -0.598 61.482 62.100 -0.032 0.000 1.006 293 T CB 1.129 69.960 68.868 -0.061 0.000 1.274 293 T HN 0.522 nan 8.240 nan 0.000 0.569 294 R N -0.446 120.028 120.500 -0.043 0.000 2.120 294 R HA 0.038 4.379 4.340 0.001 0.000 0.234 294 R C 2.705 179.004 176.300 -0.002 0.000 1.123 294 R CA 1.196 57.226 56.100 -0.117 0.000 0.975 294 R CB -0.273 29.952 30.300 -0.125 0.000 0.866 294 R HN 0.635 nan 8.270 nan 0.000 0.446 295 R N -0.202 120.351 120.500 0.088 0.000 2.127 295 R HA -0.213 4.127 4.340 0.001 0.000 0.238 295 R C 1.829 178.272 176.300 0.238 0.000 1.134 295 R CA 1.724 57.910 56.100 0.144 0.000 0.975 295 R CB -0.324 30.080 30.300 0.173 0.000 0.865 295 R HN 0.374 nan 8.270 nan 0.000 0.447 296 W N 1.062 122.419 121.300 0.096 0.000 2.374 296 W HA -0.112 4.548 4.660 0.001 0.000 0.288 296 W C 1.328 177.851 176.519 0.006 0.000 1.218 296 W CA 1.209 58.592 57.345 0.063 0.000 1.245 296 W CB -0.164 29.286 29.460 -0.017 0.000 1.126 296 W HN 0.050 nan 8.180 nan 0.000 0.545 297 I N 0.822 121.120 120.570 -0.454 0.000 2.185 297 I HA -0.362 3.809 4.170 0.001 0.000 0.246 297 I C 2.356 178.063 176.117 -0.683 0.000 1.088 297 I CA 2.106 62.941 61.300 -0.774 0.000 1.347 297 I CB -0.713 37.089 38.000 -0.331 0.000 1.041 297 I HN -0.016 nan 8.210 nan 0.000 0.415 298 E N 0.259 120.213 120.200 -0.410 0.000 2.106 298 E HA -0.191 4.160 4.350 0.001 0.000 0.192 298 E C 2.018 178.364 176.600 -0.424 0.000 0.984 298 E CA 1.410 57.588 56.400 -0.369 0.000 0.806 298 E CB -0.264 29.252 29.700 -0.307 0.000 0.750 298 E HN 0.473 nan 8.360 nan 0.000 0.458 299 Y N -0.224 119.818 120.300 -0.430 0.000 2.128 299 Y HA -0.140 4.410 4.550 0.001 0.000 0.284 299 Y C 2.373 178.028 175.900 -0.407 0.000 1.154 299 Y CA 1.537 59.433 58.100 -0.340 0.000 1.149 299 Y CB -0.941 37.403 38.460 -0.194 0.000 0.976 299 Y HN 0.195 nan 8.280 nan 0.000 0.505 300 G N 0.080 108.442 108.800 -0.731 0.000 2.529 300 G HA2 -0.329 3.631 3.960 0.001 0.000 0.219 300 G HA3 -0.329 3.631 3.960 0.001 0.000 0.219 300 G C 1.585 176.326 174.900 -0.265 0.000 1.177 300 G CA 1.517 46.245 45.100 -0.620 0.000 0.773 300 G HN 0.352 nan 8.290 nan 0.000 0.573 301 K N 0.050 120.276 120.400 -0.291 0.000 2.148 301 K HA -0.020 4.300 4.320 0.001 0.000 0.204 301 K C 2.474 179.081 176.600 0.012 0.000 1.050 301 K CA 1.175 57.436 56.287 -0.043 0.000 0.942 301 K CB -0.030 32.434 32.500 -0.060 0.000 0.724 301 K HN 0.380 nan 8.250 nan 0.000 0.446 302 Q N -0.005 119.744 119.800 -0.085 0.000 2.282 302 Q HA 0.224 4.564 4.340 0.001 0.000 0.206 302 Q C -0.189 175.784 176.000 -0.045 0.000 0.878 302 Q CA -0.358 55.400 55.803 -0.075 0.000 0.944 302 Q CB 0.930 29.572 28.738 -0.159 0.000 1.100 302 Q HN 0.178 nan 8.270 nan 0.000 0.509 303 A N 1.260 124.078 122.820 -0.003 0.000 2.548 303 A HA 0.178 4.498 4.320 0.001 0.000 0.247 303 A C 0.172 177.795 177.584 0.065 0.000 1.067 303 A CA -0.011 52.060 52.037 0.057 0.000 0.757 303 A CB 0.259 19.329 19.000 0.117 0.000 0.996 303 A HN 0.092 nan 8.150 nan 0.000 0.504 304 V N 5.231 125.190 119.914 0.075 0.000 2.408 304 V HA 0.229 4.349 4.120 0.001 0.000 0.267 304 V C 0.386 176.538 176.094 0.097 0.000 1.047 304 V CA 0.056 62.403 62.300 0.079 0.000 0.937 304 V CB 0.430 32.300 31.823 0.079 0.000 0.999 304 V HN 0.706 nan 8.190 nan 0.000 0.472 305 L N 3.993 125.271 121.223 0.091 0.000 2.352 305 L HA 0.475 4.816 4.340 0.001 0.000 0.269 305 L C 0.475 177.406 176.870 0.101 0.000 1.034 305 L CA -0.540 54.360 54.840 0.100 0.000 0.806 305 L CB 1.626 43.745 42.059 0.100 0.000 1.244 305 L HN 0.705 nan 8.230 nan 0.000 0.447 306 C N 1.556 120.924 119.300 0.113 0.000 2.592 306 C HA 0.060 4.521 4.460 0.001 0.000 0.408 306 C C 1.597 176.669 174.990 0.137 0.000 1.436 306 C CA -0.145 58.958 59.018 0.143 0.000 1.595 306 C CB -0.559 27.299 27.740 0.197 0.000 2.487 306 C HN 0.890 nan 8.230 nan 0.000 0.610 307 S N 2.935 118.718 115.700 0.138 0.000 2.582 307 S HA 0.087 4.557 4.470 0.001 0.000 0.234 307 S C 0.838 175.505 174.600 0.112 0.000 0.961 307 S CA 0.226 58.493 58.200 0.111 0.000 0.953 307 S CB -0.570 62.687 63.200 0.095 0.000 0.800 307 S HN 1.155 nan 8.310 nan 0.000 0.471 308 C N -0.144 119.238 119.300 0.136 0.000 3.836 308 C HA 0.511 4.971 4.460 0.001 0.000 0.470 308 C C 0.511 175.544 174.990 0.071 0.000 1.496 308 C CA -0.754 58.330 59.018 0.109 0.000 2.135 308 C CB -0.468 27.358 27.740 0.142 0.000 3.162 308 C HN 0.375 nan 8.230 nan 0.000 0.666 309 R N 1.276 121.822 120.500 0.076 0.000 2.343 309 R HA 0.591 4.932 4.340 0.001 0.000 0.320 309 R C 1.054 177.390 176.300 0.059 0.000 0.956 309 R CA 0.450 56.576 56.100 0.044 0.000 0.836 309 R CB 1.347 31.660 30.300 0.022 0.000 1.151 309 R HN 0.333 nan 8.270 nan 0.000 0.450 310 K N 1.542 121.971 120.400 0.048 0.000 2.147 310 K HA -0.126 4.194 4.320 0.001 0.000 0.205 310 K C 0.992 177.625 176.600 0.054 0.000 1.049 310 K CA 1.628 57.945 56.287 0.050 0.000 0.936 310 K CB -0.278 32.247 32.500 0.041 0.000 0.722 310 K HN 0.492 nan 8.250 nan 0.000 0.446 311 D N 0.290 120.720 120.400 0.050 0.000 2.352 311 D HA 0.098 4.739 4.640 0.001 0.000 0.236 311 D C -0.102 176.236 176.300 0.063 0.000 1.148 311 D CA 0.002 54.033 54.000 0.052 0.000 0.844 311 D CB -0.159 40.667 40.800 0.043 0.000 0.933 311 D HN 0.308 nan 8.370 nan 0.000 0.507 312 M N 0.206 119.851 119.600 0.074 0.000 2.227 312 M HA 0.137 4.618 4.480 0.001 0.000 0.316 312 M C 0.462 176.814 176.300 0.086 0.000 1.144 312 M CA -0.738 54.614 55.300 0.088 0.000 1.121 312 M CB 0.934 33.598 32.600 0.106 0.000 1.440 312 M HN -0.332 nan 8.290 nan 0.000 0.473 313 V N 2.492 122.459 119.914 0.088 0.000 2.479 313 V HA 0.145 4.266 4.120 0.001 0.000 0.281 313 V C 0.358 176.514 176.094 0.102 0.000 1.031 313 V CA 0.047 62.399 62.300 0.086 0.000 1.038 313 V CB -0.113 31.755 31.823 0.075 0.000 0.981 313 V HN 0.698 nan 8.190 nan 0.000 0.478 314 K N 5.747 126.211 120.400 0.107 0.000 2.535 314 K HA 0.594 4.914 4.320 0.001 0.000 0.250 314 K C -1.483 175.203 176.600 0.143 0.000 0.948 314 K CA -0.674 55.689 56.287 0.126 0.000 0.796 314 K CB 1.695 34.263 32.500 0.113 0.000 1.216 314 K HN 0.592 nan 8.250 nan 0.000 0.432 315 I N 2.580 123.259 120.570 0.183 0.000 2.354 315 I HA 0.119 4.290 4.170 0.001 0.000 0.292 315 I C 0.237 176.507 176.117 0.255 0.000 0.989 315 I CA -0.751 60.685 61.300 0.226 0.000 1.188 315 I CB 1.950 40.117 38.000 0.278 0.000 1.342 315 I HN 0.581 nan 8.210 nan 0.000 0.457 316 S N 6.656 122.510 115.700 0.255 0.000 2.481 316 S HA 0.096 4.567 4.470 0.001 0.000 0.282 316 S C 1.138 175.967 174.600 0.381 0.000 1.243 316 S CA -0.446 57.925 58.200 0.286 0.000 1.078 316 S CB 0.407 63.750 63.200 0.238 0.000 0.916 316 S HN 0.517 nan 8.310 nan 0.000 0.495 317 M N 3.505 123.342 119.600 0.395 0.000 2.595 317 M HA 0.004 4.485 4.480 0.001 0.000 0.248 317 M C 1.785 178.238 176.300 0.255 0.000 1.119 317 M CA 0.480 55.978 55.300 0.331 0.000 1.079 317 M CB -1.235 31.444 32.600 0.131 0.000 1.472 317 M HN 0.787 nan 8.290 nan 0.000 0.501 318 D N 0.420 121.067 120.400 0.411 0.000 2.116 318 D HA -0.163 4.477 4.640 0.001 0.000 0.193 318 D C 1.939 178.380 176.300 0.234 0.000 0.998 318 D CA 1.325 55.601 54.000 0.460 0.000 0.836 318 D CB 0.308 41.422 40.800 0.524 0.000 0.951 318 D HN 0.202 nan 8.370 nan 0.000 0.449 319 V N -0.053 119.939 119.914 0.129 0.000 2.490 319 V HA -0.232 3.889 4.120 0.001 0.000 0.250 319 V C 2.113 178.120 176.094 -0.146 0.000 1.061 319 V CA 1.530 63.787 62.300 -0.073 0.000 1.064 319 V CB -0.664 31.054 31.823 -0.176 0.000 0.670 319 V HN 0.145 nan 8.190 nan 0.000 0.461 320 F N -0.401 119.615 119.950 0.110 0.000 2.163 320 F HA -0.069 4.459 4.527 0.001 0.000 0.297 320 F C 2.292 178.148 175.800 0.094 0.000 1.094 320 F CA 1.936 60.047 58.000 0.186 0.000 1.290 320 F CB -0.571 38.496 39.000 0.112 0.000 1.017 320 F HN 0.039 nan 8.300 nan 0.000 0.483 321 V N -0.166 119.773 119.914 0.041 0.000 2.358 321 V HA -0.223 3.898 4.120 0.001 0.000 0.246 321 V C 2.418 178.522 176.094 0.017 0.000 1.047 321 V CA 1.584 63.836 62.300 -0.079 0.000 1.035 321 V CB -0.650 30.879 31.823 -0.490 0.000 0.658 321 V HN 0.221 nan 8.190 nan 0.000 0.452 322 R N 0.152 120.591 120.500 -0.101 0.000 2.081 322 R HA -0.211 4.130 4.340 0.001 0.000 0.235 322 R C 2.456 178.600 176.300 -0.259 0.000 1.131 322 R CA 2.069 57.940 56.100 -0.382 0.000 0.960 322 R CB -0.164 29.848 30.300 -0.480 0.000 0.856 322 R HN 0.504 nan 8.270 nan 0.000 0.436 323 K N -0.812 119.443 120.400 -0.242 0.000 2.098 323 K HA -0.055 4.265 4.320 0.001 0.000 0.203 323 K C 1.221 177.496 176.600 -0.542 0.000 1.051 323 K CA 1.203 57.218 56.287 -0.453 0.000 0.957 323 K CB 0.141 32.242 32.500 -0.665 0.000 0.738 323 K HN 0.062 nan 8.250 nan 0.000 0.447 324 F N 0.279 120.213 119.950 -0.025 0.000 2.720 324 F HA 0.246 4.773 4.527 0.001 0.000 0.301 324 F C 0.328 176.118 175.800 -0.016 0.000 1.103 324 F CA -0.219 57.781 58.000 -0.001 0.000 1.291 324 F CB 0.789 39.818 39.000 0.048 0.000 1.086 324 F HN -0.079 nan 8.300 nan 0.000 0.592 325 Q N 0.770 120.632 119.800 0.103 0.000 2.632 325 Q HA 0.162 4.502 4.340 0.001 0.000 0.352 325 Q C -2.045 173.987 176.000 0.054 0.000 0.821 325 Q CA -1.318 54.520 55.803 0.059 0.000 1.060 325 Q CB 0.801 29.553 28.738 0.024 0.000 1.429 325 Q HN 0.032 nan 8.270 nan 0.000 0.391 326 P HA -0.244 nan 4.420 nan 0.000 0.219 326 P C 1.033 178.380 177.300 0.080 0.000 1.146 326 P CA 1.415 64.526 63.100 0.018 0.000 0.808 326 P CB 0.348 32.022 31.700 -0.043 0.000 0.779 327 E N 0.626 120.863 120.200 0.061 0.000 2.285 327 E HA -0.113 4.237 4.350 0.001 0.000 0.194 327 E C 1.655 178.305 176.600 0.082 0.000 0.997 327 E CA 0.659 57.096 56.400 0.060 0.000 0.845 327 E CB -0.470 29.251 29.700 0.035 0.000 0.782 327 E HN 0.271 nan 8.360 nan 0.000 0.491 328 R N -0.596 119.962 120.500 0.098 0.000 2.334 328 R HA 0.094 4.434 4.340 0.001 0.000 0.216 328 R C 1.384 177.800 176.300 0.193 0.000 0.905 328 R CA 0.001 56.167 56.100 0.110 0.000 1.064 328 R CB -0.063 30.275 30.300 0.063 0.000 1.046 328 R HN 0.165 nan 8.270 nan 0.000 0.508 329 Y N 1.886 122.245 120.300 0.099 0.000 2.220 329 Y HA -0.114 4.436 4.550 0.001 0.000 0.291 329 Y C 2.304 178.337 175.900 0.222 0.000 1.129 329 Y CA 1.467 59.677 58.100 0.182 0.000 1.161 329 Y CB 0.153 38.682 38.460 0.116 0.000 0.997 329 Y HN -0.192 nan 8.280 nan 0.000 0.522 330 K N -0.142 120.354 120.400 0.160 0.000 2.026 330 K HA -0.213 4.107 4.320 0.001 0.000 0.208 330 K C 2.053 178.649 176.600 -0.007 0.000 1.048 330 K CA 1.622 57.935 56.287 0.044 0.000 0.929 330 K CB -0.476 32.076 32.500 0.086 0.000 0.713 330 K HN 0.332 nan 8.250 nan 0.000 0.439 331 L N 0.199 121.448 121.223 0.044 0.000 1.990 331 L HA -0.203 4.138 4.340 0.001 0.000 0.213 331 L C 2.087 178.984 176.870 0.045 0.000 1.072 331 L CA 1.956 56.819 54.840 0.038 0.000 0.755 331 L CB -0.595 41.502 42.059 0.064 0.000 0.889 331 L HN 0.430 nan 8.230 nan 0.000 0.432 332 W N 0.137 121.367 121.300 -0.116 0.000 2.355 332 W HA -0.251 4.409 4.660 0.001 0.000 0.309 332 W C 2.738 179.148 176.519 -0.182 0.000 1.206 332 W CA 2.251 59.517 57.345 -0.132 0.000 1.284 332 W CB -0.433 28.959 29.460 -0.114 0.000 1.145 332 W HN -0.198 nan 8.180 nan 0.000 0.502 333 K N 0.263 120.458 120.400 -0.342 0.000 2.063 333 K HA -0.114 4.206 4.320 0.001 0.000 0.208 333 K C 2.051 178.418 176.600 -0.388 0.000 1.048 333 K CA 1.447 57.408 56.287 -0.544 0.000 0.928 333 K CB -1.324 30.905 32.500 -0.451 0.000 0.713 333 K HN 0.373 nan 8.250 nan 0.000 0.442 334 A N -0.876 121.800 122.820 -0.241 0.000 2.239 334 A HA 0.327 4.648 4.320 0.001 0.000 0.209 334 A C 1.687 179.167 177.584 -0.172 0.000 1.171 334 A CA 1.100 53.037 52.037 -0.167 0.000 0.768 334 A CB -0.727 18.215 19.000 -0.096 0.000 0.790 334 A HN 0.855 nan 8.150 nan 0.000 0.478 335 G N -2.718 105.937 108.800 -0.241 0.000 2.153 335 G HA2 -0.126 3.835 3.960 0.001 0.000 0.252 335 G HA3 -0.126 3.835 3.960 0.001 0.000 0.252 335 G C 0.718 175.555 174.900 -0.105 0.000 0.994 335 G CA 1.137 46.117 45.100 -0.199 0.000 0.698 335 G HN 1.406 nan 8.290 nan 0.000 0.521 336 K N -0.128 120.231 120.400 -0.069 0.000 2.437 336 K HA 0.473 4.794 4.320 0.001 0.000 0.205 336 K C 0.502 177.105 176.600 0.004 0.000 1.026 336 K CA 0.664 56.933 56.287 -0.029 0.000 1.153 336 K CB 0.267 32.752 32.500 -0.026 0.000 0.863 336 K HN 0.397 nan 8.250 nan 0.000 0.502 337 D N 1.340 121.762 120.400 0.037 0.000 2.422 337 D HA 0.103 4.744 4.640 0.001 0.000 0.227 337 D C -0.553 175.770 176.300 0.037 0.000 1.190 337 D CA -0.401 53.643 54.000 0.074 0.000 0.905 337 D CB 0.419 41.336 40.800 0.194 0.000 1.034 337 D HN 0.186 nan 8.370 nan 0.000 0.507 338 N N 2.188 120.892 118.700 0.006 0.000 2.295 338 N HA 0.009 4.750 4.740 0.001 0.000 0.221 338 N C -0.250 175.239 175.510 -0.036 0.000 1.129 338 N CA -0.035 53.005 53.050 -0.017 0.000 0.836 338 N CB 0.374 38.850 38.487 -0.019 0.000 1.040 338 N HN 0.283 nan 8.380 nan 0.000 0.494 339 T N 0.832 115.362 114.554 -0.041 0.000 2.871 339 T HA 0.062 4.413 4.350 0.001 0.000 0.296 339 T C 0.657 175.291 174.700 -0.109 0.000 0.998 339 T CA 0.095 62.151 62.100 -0.074 0.000 1.162 339 T CB 1.100 69.914 68.868 -0.089 0.000 0.947 339 T HN -0.158 nan 8.240 nan 0.000 0.536 340 V N 5.518 125.363 119.914 -0.116 0.000 2.407 340 V HA 0.295 4.415 4.120 0.001 0.000 0.278 340 V C 0.619 176.583 176.094 -0.215 0.000 1.037 340 V CA -0.744 61.466 62.300 -0.150 0.000 0.900 340 V CB 0.943 32.699 31.823 -0.112 0.000 0.983 340 V HN 0.751 nan 8.190 nan 0.000 0.459 341 I N 4.097 124.470 120.570 -0.327 0.000 2.471 341 I HA 0.159 4.329 4.170 0.001 0.000 0.286 341 I C 0.188 176.024 176.117 -0.468 0.000 1.079 341 I CA 0.122 61.139 61.300 -0.472 0.000 1.398 341 I CB 0.665 38.189 38.000 -0.792 0.000 1.403 341 I HN 0.580 nan 8.210 nan 0.000 0.530 342 D N 5.830 126.036 120.400 -0.324 0.000 2.359 342 D HA 0.124 4.764 4.640 0.001 0.000 0.230 342 D C 0.908 177.119 176.300 -0.149 0.000 1.118 342 D CA -0.172 53.700 54.000 -0.213 0.000 0.844 342 D CB 0.655 41.400 40.800 -0.091 0.000 1.059 342 D HN 0.389 nan 8.370 nan 0.000 0.493 343 H N 1.948 121.054 119.070 0.061 0.000 2.524 343 H HA -0.044 4.513 4.556 0.001 0.000 0.282 343 H C 1.704 177.125 175.328 0.155 0.000 1.016 343 H CA 1.456 57.598 56.048 0.157 0.000 1.270 343 H CB 0.097 29.938 29.762 0.132 0.000 1.394 343 H HN 0.520 nan 8.280 nan 0.000 0.568 344 T N -1.570 113.093 114.554 0.181 0.000 3.043 344 T HA 0.060 4.410 4.350 0.001 0.000 0.263 344 T C 1.095 175.951 174.700 0.260 0.000 1.094 344 T CA -0.076 62.104 62.100 0.132 0.000 1.127 344 T CB -0.269 68.632 68.868 0.055 0.000 0.905 344 T HN 0.024 nan 8.240 nan 0.000 0.490 345 L N 3.795 125.131 121.223 0.189 0.000 2.410 345 L HA 0.314 4.655 4.340 0.001 0.000 0.273 345 L C -1.841 175.062 176.870 0.055 0.000 1.144 345 L CA -2.185 52.731 54.840 0.126 0.000 0.863 345 L CB 0.524 42.610 42.059 0.046 0.000 1.140 345 L HN 0.144 nan 8.230 nan 0.000 0.463 346 P HA -0.005 nan 4.420 nan 0.000 0.273 346 P C -0.130 177.085 177.300 -0.140 0.000 1.250 346 P CA -0.402 62.511 63.100 -0.311 0.000 0.793 346 P CB 0.526 32.139 31.700 -0.145 0.000 1.011 347 T N 1.387 115.865 114.554 -0.128 0.000 2.926 347 T HA 0.131 4.482 4.350 0.001 0.000 0.307 347 T C -1.186 173.505 174.700 -0.016 0.000 1.059 347 T CA -1.532 60.552 62.100 -0.028 0.000 1.122 347 T CB -0.212 68.662 68.868 0.010 0.000 0.972 347 T HN 0.315 nan 8.240 nan 0.000 0.545 348 P HA -0.048 nan 4.420 nan 0.000 0.220 348 P C 0.790 178.086 177.300 -0.006 0.000 1.148 348 P CA 1.008 64.107 63.100 -0.002 0.000 0.803 348 P CB 0.156 31.859 31.700 0.006 0.000 0.782 349 E N 0.337 120.533 120.200 -0.006 0.000 2.333 349 E HA -0.076 4.274 4.350 0.001 0.000 0.198 349 E C 2.053 178.651 176.600 -0.003 0.000 1.007 349 E CA 1.122 57.513 56.400 -0.016 0.000 0.845 349 E CB -0.845 28.846 29.700 -0.016 0.000 0.766 349 E HN 0.257 nan 8.360 nan 0.000 0.507 350 A N 0.827 123.674 122.820 0.045 0.000 2.168 350 A HA 0.132 4.452 4.320 0.001 0.000 0.215 350 A C 2.249 179.878 177.584 0.075 0.000 1.152 350 A CA 0.964 53.092 52.037 0.152 0.000 0.716 350 A CB -0.449 18.611 19.000 0.100 0.000 0.794 350 A HN 0.287 nan 8.150 nan 0.000 0.465 351 A N 0.282 123.094 122.820 -0.014 0.000 1.903 351 A HA -0.293 4.027 4.320 0.001 0.000 0.219 351 A C 1.899 179.423 177.584 -0.099 0.000 1.191 351 A CA 1.983 53.997 52.037 -0.037 0.000 0.638 351 A CB -0.718 18.256 19.000 -0.043 0.000 0.823 351 A HN 0.652 nan 8.150 nan 0.000 0.451 352 E N -1.151 118.903 120.200 -0.244 0.000 2.200 352 E HA -0.234 4.117 4.350 0.001 0.000 0.211 352 E C 0.024 176.368 176.600 -0.427 0.000 1.048 352 E CA 1.367 57.491 56.400 -0.460 0.000 0.851 352 E CB -0.163 29.001 29.700 -0.893 0.000 0.747 352 E HN 0.652 nan 8.360 nan 0.000 0.462 353 F N 0.000 119.966 119.950 0.026 0.000 2.286 353 F HA 0.000 4.527 4.527 0.001 0.000 0.279 353 F CA 0.000 58.030 58.000 0.050 0.000 1.383 353 F CB 0.000 39.057 39.000 0.095 0.000 1.145 353 F HN 0.000 nan 8.300 nan 0.000 0.574