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 8ruc_1_G DATA FIRST_RESID 9 DATA SEQUENCE ASVEFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.591 177.584 0.011 0.000 1.274 9 A CA 0.000 52.040 52.037 0.005 0.000 0.836 9 A CB 0.000 19.000 19.000 0.001 0.000 0.831 10 S N -0.954 114.754 115.700 0.014 0.000 2.633 10 S HA 0.767 5.421 4.470 0.305 0.000 0.271 10 S C -1.226 173.389 174.600 0.025 0.000 1.112 10 S CA -0.280 57.933 58.200 0.023 0.000 0.828 10 S CB 0.857 64.073 63.200 0.026 0.000 1.086 10 S HN 2.025 nan 8.310 nan 0.000 0.461 11 V N 0.541 120.478 119.914 0.038 0.000 3.178 11 V HA 0.516 4.820 4.120 0.305 0.000 0.302 11 V C -0.565 175.569 176.094 0.067 0.000 1.262 11 V CA -1.053 61.272 62.300 0.042 0.000 1.030 11 V CB 1.892 33.737 31.823 0.038 0.000 1.074 11 V HN 1.036 nan 8.190 nan 0.000 0.438 12 E N 1.164 121.403 120.200 0.065 0.000 2.351 12 E HA 0.421 4.954 4.350 0.305 0.000 0.255 12 E C -1.297 175.399 176.600 0.161 0.000 1.188 12 E CA -0.462 55.995 56.400 0.095 0.000 0.940 12 E CB 1.116 30.846 29.700 0.051 0.000 1.094 12 E HN 0.475 nan 8.360 nan 0.000 0.474 13 F N 1.323 121.291 119.950 0.030 0.000 2.408 13 F HA 0.434 5.144 4.527 0.305 0.000 0.344 13 F C -0.641 175.172 175.800 0.023 0.000 1.112 13 F CA -0.898 57.130 58.000 0.046 0.000 1.096 13 F CB 0.949 40.002 39.000 0.088 0.000 1.129 13 F HN 0.082 nan 8.300 nan 0.000 0.486 14 K N 5.134 125.181 120.400 -0.588 0.000 2.578 14 K HA 0.679 5.182 4.320 0.305 0.000 0.250 14 K C -0.988 175.186 176.600 -0.710 0.000 0.955 14 K CA -0.441 55.459 56.287 -0.646 0.000 0.825 14 K CB 1.348 33.692 32.500 -0.261 0.000 1.151 14 K HN 0.788 nan 8.250 nan 0.000 0.432 15 A N 2.246 124.567 122.820 -0.832 0.000 2.448 15 A HA 0.642 5.145 4.320 0.305 0.000 0.239 15 A C 0.508 177.974 177.584 -0.196 0.000 1.080 15 A CA 0.968 52.766 52.037 -0.400 0.000 0.779 15 A CB -0.337 18.521 19.000 -0.237 0.000 1.026 15 A HN 1.195 nan 8.150 nan 0.000 0.499 16 G N -1.720 107.010 108.800 -0.118 0.000 2.357 16 G HA2 0.465 4.608 3.960 0.305 0.000 0.643 16 G HA3 0.465 4.608 3.960 0.305 0.000 0.643 16 G C -0.523 174.318 174.900 -0.098 0.000 1.358 16 G CA -0.119 44.928 45.100 -0.088 0.000 0.986 16 G HN 2.278 nan 8.290 nan 0.000 0.620 17 V N -1.498 118.378 119.914 -0.062 0.000 2.481 17 V HA 0.930 5.233 4.120 0.305 0.000 0.286 17 V C 0.065 176.125 176.094 -0.057 0.000 1.042 17 V CA -0.651 61.609 62.300 -0.068 0.000 0.928 17 V CB 1.322 33.160 31.823 0.026 0.000 0.986 17 V HN 0.910 nan 8.190 nan 0.000 0.462 18 K N 2.808 123.155 120.400 -0.089 0.000 2.340 18 K HA 0.518 5.022 4.320 0.305 0.000 0.244 18 K C -1.102 175.436 176.600 -0.104 0.000 0.973 18 K CA -0.898 55.349 56.287 -0.067 0.000 0.828 18 K CB 1.468 33.940 32.500 -0.046 0.000 1.226 18 K HN 0.750 nan 8.250 nan 0.000 0.437 19 D N 0.947 121.320 120.400 -0.045 0.000 2.443 19 D HA -0.019 4.804 4.640 0.305 0.000 0.239 19 D C 0.722 177.034 176.300 0.021 0.000 1.136 19 D CA 0.435 54.423 54.000 -0.019 0.000 0.879 19 D CB 0.392 41.213 40.800 0.035 0.000 1.195 19 D HN 0.437 nan 8.370 nan 0.000 0.443 20 Y N 1.292 121.650 120.300 0.097 0.000 2.224 20 Y HA -0.216 4.517 4.550 0.306 0.000 0.289 20 Y C 2.323 178.345 175.900 0.205 0.000 1.146 20 Y CA 1.245 59.444 58.100 0.164 0.000 1.182 20 Y CB -0.273 38.217 38.460 0.050 0.000 0.983 20 Y HN 0.467 nan 8.280 nan 0.000 0.524 21 K N 0.457 121.019 120.400 0.271 0.000 2.281 21 K HA -0.155 4.348 4.320 0.305 0.000 0.203 21 K C 1.593 178.309 176.600 0.192 0.000 1.046 21 K CA 1.655 58.076 56.287 0.224 0.000 0.938 21 K CB -0.741 31.831 32.500 0.119 0.000 0.737 21 K HN 0.355 nan 8.250 nan 0.000 0.458 22 L N 1.087 122.390 121.223 0.132 0.000 2.191 22 L HA -0.092 4.431 4.340 0.305 0.000 0.212 22 L C 1.533 178.413 176.870 0.016 0.000 1.103 22 L CA 1.288 56.169 54.840 0.068 0.000 0.769 22 L CB -0.382 41.700 42.059 0.039 0.000 0.908 22 L HN 0.352 nan 8.230 nan 0.000 0.438 23 T N -3.268 111.283 114.554 -0.005 0.000 2.989 23 T HA 0.065 4.598 4.350 0.305 0.000 0.250 23 T C 0.999 175.454 174.700 -0.408 0.000 0.981 23 T CA 0.093 62.045 62.100 -0.248 0.000 0.980 23 T CB 0.180 68.793 68.868 -0.425 0.000 1.133 23 T HN 0.108 nan 8.240 nan 0.000 0.489 24 Y N -0.036 120.312 120.300 0.080 0.000 2.458 24 Y HA 0.412 5.145 4.550 0.305 0.000 0.256 24 Y C 0.033 175.990 175.900 0.095 0.000 1.159 24 Y CA -1.080 57.054 58.100 0.056 0.000 1.261 24 Y CB 0.374 38.864 38.460 0.050 0.000 1.119 24 Y HN 0.182 nan 8.280 nan 0.000 0.524 25 Y N 2.107 122.453 120.300 0.078 0.000 2.417 25 Y HA 0.431 5.164 4.550 0.305 0.000 0.336 25 Y C -0.146 175.778 175.900 0.041 0.000 0.961 25 Y CA -1.692 56.439 58.100 0.051 0.000 1.215 25 Y CB 0.667 39.149 38.460 0.037 0.000 1.120 25 Y HN 0.030 nan 8.280 nan 0.000 0.499 26 T N 5.695 120.073 114.554 -0.293 0.000 3.241 26 T HA 0.277 4.810 4.350 0.305 0.000 0.387 26 T C -2.311 172.260 174.700 -0.216 0.000 1.451 26 T CA -1.876 60.074 62.100 -0.250 0.000 1.363 26 T CB 1.163 69.973 68.868 -0.097 0.000 1.074 26 T HN 0.473 nan 8.240 nan 0.000 0.598 27 P HA -0.002 nan 4.420 nan 0.000 0.230 27 P C 0.550 177.855 177.300 0.008 0.000 1.158 27 P CA 0.840 63.823 63.100 -0.195 0.000 0.769 27 P CB 0.344 31.869 31.700 -0.292 0.000 0.807 28 E N -1.412 118.785 120.200 -0.005 0.000 2.465 28 E HA 0.048 4.581 4.350 0.305 0.000 0.195 28 E C 0.102 176.732 176.600 0.049 0.000 1.028 28 E CA -0.721 55.691 56.400 0.020 0.000 0.899 28 E CB -0.589 29.108 29.700 -0.006 0.000 1.032 28 E HN 0.355 nan 8.360 nan 0.000 0.468 29 Y N 2.396 122.676 120.300 -0.035 0.000 2.425 29 Y HA 0.067 4.800 4.550 0.305 0.000 0.331 29 Y C 0.096 175.929 175.900 -0.112 0.000 1.157 29 Y CA -0.197 57.866 58.100 -0.063 0.000 1.372 29 Y CB 0.576 39.009 38.460 -0.045 0.000 1.253 29 Y HN -0.168 nan 8.280 nan 0.000 0.536 30 E N 4.427 124.136 120.200 -0.819 0.000 2.109 30 E HA 0.179 4.713 4.350 0.305 0.000 0.278 30 E C -0.321 175.631 176.600 -1.080 0.000 0.954 30 E CA -0.701 55.285 56.400 -0.691 0.000 0.779 30 E CB 0.769 30.220 29.700 -0.415 0.000 1.093 30 E HN 0.724 nan 8.360 nan 0.000 0.401 31 T N 1.058 115.151 114.554 -0.769 0.000 2.940 31 T HA 0.220 4.753 4.350 0.305 0.000 0.309 31 T C 0.393 174.899 174.700 -0.323 0.000 1.056 31 T CA -0.423 61.359 62.100 -0.529 0.000 1.137 31 T CB 0.412 69.046 68.868 -0.390 0.000 0.976 31 T HN 0.251 nan 8.240 nan 0.000 0.547 32 L N 1.995 123.115 121.223 -0.172 0.000 2.399 32 L HA 0.365 4.888 4.340 0.305 0.000 0.265 32 L C 1.126 177.957 176.870 -0.065 0.000 1.089 32 L CA -1.057 53.722 54.840 -0.101 0.000 0.802 32 L CB 0.619 42.656 42.059 -0.036 0.000 1.180 32 L HN 0.647 nan 8.230 nan 0.000 0.454 33 D N -0.395 119.975 120.400 -0.050 0.000 2.371 33 D HA -0.082 4.741 4.640 0.305 0.000 0.221 33 D C 1.637 177.926 176.300 -0.018 0.000 0.986 33 D CA 1.113 55.093 54.000 -0.034 0.000 0.899 33 D CB 0.129 40.914 40.800 -0.024 0.000 0.902 33 D HN 0.729 nan 8.370 nan 0.000 0.530 34 T N -2.680 111.872 114.554 -0.004 0.000 3.040 34 T HA 0.041 4.574 4.350 0.305 0.000 0.250 34 T C 0.569 175.284 174.700 0.026 0.000 1.058 34 T CA -0.475 61.636 62.100 0.018 0.000 0.988 34 T CB 0.524 69.410 68.868 0.031 0.000 0.993 34 T HN -0.230 nan 8.240 nan 0.000 0.519 35 D N 1.597 122.010 120.400 0.022 0.000 2.372 35 D HA 0.374 5.197 4.640 0.305 0.000 0.243 35 D C -0.332 175.971 176.300 0.005 0.000 1.121 35 D CA -0.466 53.567 54.000 0.056 0.000 0.898 35 D CB 0.851 41.693 40.800 0.070 0.000 1.202 35 D HN 0.160 nan 8.370 nan 0.000 0.428 36 I N 2.113 122.713 120.570 0.049 0.000 2.342 36 I HA 0.163 4.516 4.170 0.305 0.000 0.291 36 I C 0.021 176.173 176.117 0.059 0.000 1.010 36 I CA -0.192 61.070 61.300 -0.063 0.000 1.308 36 I CB 0.670 38.512 38.000 -0.264 0.000 1.400 36 I HN 0.059 nan 8.210 nan 0.000 0.488 37 L N 6.000 127.134 121.223 -0.148 0.000 2.331 37 L HA 0.894 5.417 4.340 0.305 0.000 0.275 37 L C -0.034 176.720 176.870 -0.193 0.000 1.022 37 L CA -0.767 53.974 54.840 -0.165 0.000 0.812 37 L CB 1.553 43.307 42.059 -0.508 0.000 1.257 37 L HN 0.660 nan 8.230 nan 0.000 0.435 38 A N 1.867 124.782 122.820 0.157 0.000 2.393 38 A HA 0.859 5.362 4.320 0.305 0.000 0.306 38 A C -0.830 176.879 177.584 0.209 0.000 1.050 38 A CA -0.534 51.599 52.037 0.159 0.000 0.724 38 A CB 1.768 20.881 19.000 0.189 0.000 1.248 38 A HN 0.739 nan 8.150 nan 0.000 0.424 39 A N 1.875 124.693 122.820 -0.003 0.000 2.267 39 A HA 0.729 5.232 4.320 0.305 0.000 0.315 39 A C -1.138 176.142 177.584 -0.506 0.000 1.297 39 A CA -0.257 51.541 52.037 -0.399 0.000 0.865 39 A CB -0.178 18.385 19.000 -0.728 0.000 1.165 39 A HN 0.624 nan 8.150 nan 0.000 0.513 40 F N 1.183 120.954 119.950 -0.297 0.000 2.443 40 F HA 0.500 5.210 4.527 0.306 0.000 0.335 40 F C 0.943 176.603 175.800 -0.234 0.000 1.104 40 F CA -0.362 57.500 58.000 -0.229 0.000 1.013 40 F CB 1.767 40.647 39.000 -0.201 0.000 1.136 40 F HN 0.595 nan 8.300 nan 0.000 0.470 41 R N 3.466 123.971 120.500 0.008 0.000 2.235 41 R HA 0.519 5.042 4.340 0.305 0.000 0.338 41 R C -1.673 174.640 176.300 0.022 0.000 1.087 41 R CA -0.261 55.837 56.100 -0.004 0.000 0.948 41 R CB 0.352 30.650 30.300 -0.004 0.000 1.099 41 R HN 0.534 nan 8.270 nan 0.000 0.483 42 V N 3.497 123.426 119.914 0.026 0.000 2.394 42 V HA 0.248 4.552 4.120 0.305 0.000 0.282 42 V C -0.117 176.014 176.094 0.061 0.000 1.031 42 V CA -0.478 61.823 62.300 0.001 0.000 0.881 42 V CB 1.735 33.534 31.823 -0.041 0.000 0.982 42 V HN 0.707 nan 8.190 nan 0.000 0.451 43 S N 7.057 122.778 115.700 0.035 0.000 2.516 43 S HA 0.446 5.099 4.470 0.305 0.000 0.268 43 S C -2.539 172.090 174.600 0.048 0.000 1.251 43 S CA -0.989 57.247 58.200 0.059 0.000 1.153 43 S CB 1.145 64.377 63.200 0.053 0.000 1.009 43 S HN 0.571 nan 8.310 nan 0.000 0.479 44 P HA 0.169 nan 4.420 nan 0.000 0.274 44 P C -0.185 177.138 177.300 0.039 0.000 1.246 44 P CA -0.579 62.540 63.100 0.032 0.000 0.795 44 P CB 0.499 32.213 31.700 0.022 0.000 1.006 45 Q N 1.273 121.090 119.800 0.029 0.000 2.368 45 Q HA 0.239 4.762 4.340 0.305 0.000 0.237 45 Q C -2.066 173.951 176.000 0.029 0.000 0.987 45 Q CA -1.604 54.217 55.803 0.030 0.000 0.896 45 Q CB -0.634 28.122 28.738 0.030 0.000 1.241 45 Q HN 0.306 nan 8.270 nan 0.000 0.485 46 P HA -0.002 nan 4.420 nan 0.000 0.264 46 P C 0.428 177.740 177.300 0.021 0.000 1.193 46 P CA 1.057 64.172 63.100 0.025 0.000 0.763 46 P CB 0.328 32.041 31.700 0.021 0.000 0.810 47 G N 1.321 110.132 108.800 0.019 0.000 2.175 47 G HA2 -0.194 3.949 3.960 0.305 0.000 0.244 47 G HA3 -0.194 3.949 3.960 0.305 0.000 0.244 47 G C -0.056 174.849 174.900 0.007 0.000 0.982 47 G CA -0.225 44.883 45.100 0.013 0.000 0.641 47 G HN 0.522 nan 8.290 nan 0.000 0.527 48 V N 3.715 123.631 119.914 0.004 0.000 2.350 48 V HA 0.486 4.789 4.120 0.305 0.000 0.276 48 V C -1.353 174.713 176.094 -0.047 0.000 1.028 48 V CA -1.470 60.823 62.300 -0.012 0.000 0.860 48 V CB 1.556 33.376 31.823 -0.005 0.000 0.990 48 V HN 0.254 nan 8.190 nan 0.000 0.453 49 P HA 0.192 nan 4.420 nan 0.000 0.271 49 P C -2.080 175.075 177.300 -0.242 0.000 1.216 49 P CA -1.481 61.536 63.100 -0.138 0.000 0.776 49 P CB 0.729 32.355 31.700 -0.123 0.000 0.881 50 P HA -0.195 nan 4.420 nan 0.000 0.216 50 P C 1.016 178.018 177.300 -0.496 0.000 1.150 50 P CA 1.639 64.376 63.100 -0.605 0.000 0.843 50 P CB 0.168 31.143 31.700 -1.209 0.000 0.787 51 E N -0.098 119.791 120.200 -0.519 0.000 2.150 51 E HA -0.180 4.354 4.350 0.305 0.000 0.193 51 E C 2.094 178.447 176.600 -0.412 0.000 0.985 51 E CA 1.078 57.052 56.400 -0.710 0.000 0.814 51 E CB -0.671 28.512 29.700 -0.863 0.000 0.752 51 E HN 0.295 nan 8.360 nan 0.000 0.466 52 E N 0.409 120.459 120.200 -0.249 0.000 2.076 52 E HA 0.017 4.550 4.350 0.305 0.000 0.190 52 E C 1.842 178.357 176.600 -0.141 0.000 0.979 52 E CA 1.160 57.496 56.400 -0.108 0.000 0.807 52 E CB -0.289 29.388 29.700 -0.038 0.000 0.761 52 E HN 0.188 nan 8.360 nan 0.000 0.454 53 A N 0.266 122.969 122.820 -0.195 0.000 1.877 53 A HA -0.019 4.484 4.320 0.305 0.000 0.216 53 A C 2.462 179.864 177.584 -0.304 0.000 1.186 53 A CA 1.750 53.648 52.037 -0.232 0.000 0.620 53 A CB -1.354 17.530 19.000 -0.193 0.000 0.822 53 A HN 0.400 nan 8.150 nan 0.000 0.443 54 G N -0.563 108.071 108.800 -0.276 0.000 2.422 54 G HA2 0.008 4.151 3.960 0.305 0.000 0.218 54 G HA3 0.008 4.151 3.960 0.305 0.000 0.218 54 G C 1.715 176.481 174.900 -0.224 0.000 1.146 54 G CA 1.454 46.407 45.100 -0.245 0.000 0.769 54 G HN 0.793 nan 8.290 nan 0.000 0.547 55 A N 1.114 123.835 122.820 -0.165 0.000 1.898 55 A HA 0.328 4.832 4.320 0.305 0.000 0.216 55 A C 2.810 180.184 177.584 -0.349 0.000 1.181 55 A CA 2.095 54.091 52.037 -0.070 0.000 0.620 55 A CB -0.735 18.331 19.000 0.111 0.000 0.819 55 A HN 0.741 nan 8.150 nan 0.000 0.442 56 A N -0.479 121.999 122.820 -0.569 0.000 1.902 56 A HA -0.011 4.492 4.320 0.305 0.000 0.217 56 A C 2.232 179.187 177.584 -1.049 0.000 1.181 56 A CA 1.804 53.115 52.037 -1.211 0.000 0.623 56 A CB -0.950 17.441 19.000 -1.016 0.000 0.818 56 A HN 0.371 nan 8.150 nan 0.000 0.443 57 V N -0.143 119.308 119.914 -0.771 0.000 2.295 57 V HA -0.267 4.036 4.120 0.305 0.000 0.246 57 V C 3.075 178.855 176.094 -0.523 0.000 1.049 57 V CA 2.052 63.917 62.300 -0.725 0.000 1.024 57 V CB -1.252 30.090 31.823 -0.801 0.000 0.648 57 V HN 0.623 nan 8.190 nan 0.000 0.447 58 A N -0.231 122.346 122.820 -0.404 0.000 1.902 58 A HA -0.107 4.396 4.320 0.305 0.000 0.217 58 A C 2.390 179.775 177.584 -0.332 0.000 1.181 58 A CA 2.177 54.062 52.037 -0.253 0.000 0.623 58 A CB -0.727 18.195 19.000 -0.130 0.000 0.818 58 A HN 0.574 nan 8.150 nan 0.000 0.443 59 A N -0.523 121.881 122.820 -0.694 0.000 1.872 59 A HA -0.084 4.419 4.320 0.305 0.000 0.214 59 A C 1.819 179.079 177.584 -0.541 0.000 1.187 59 A CA 1.386 52.745 52.037 -1.131 0.000 0.614 59 A CB -0.365 17.761 19.000 -1.456 0.000 0.826 59 A HN 0.446 nan 8.150 nan 0.000 0.442 60 E N 0.526 120.433 120.200 -0.488 0.000 2.511 60 E HA -0.035 4.499 4.350 0.305 0.000 0.196 60 E C 1.147 177.693 176.600 -0.090 0.000 1.066 60 E CA 0.886 57.154 56.400 -0.220 0.000 0.871 60 E CB -0.076 29.487 29.700 -0.229 0.000 0.863 60 E HN 0.702 nan 8.360 nan 0.000 0.520 61 S N -1.161 114.495 115.700 -0.074 0.000 2.593 61 S HA 0.155 4.809 4.470 0.305 0.000 0.236 61 S C 1.299 175.985 174.600 0.144 0.000 0.991 61 S CA 0.177 58.420 58.200 0.071 0.000 0.963 61 S CB 0.383 63.679 63.200 0.160 0.000 0.865 61 S HN 0.136 nan 8.310 nan 0.000 0.488 62 S N 1.403 117.153 115.700 0.084 0.000 4.098 62 S HA 0.173 4.827 4.470 0.305 0.000 0.193 62 S C 1.312 175.942 174.600 0.049 0.000 1.049 62 S CA 0.609 58.876 58.200 0.111 0.000 1.034 62 S CB -0.178 63.159 63.200 0.228 0.000 1.380 62 S HN 0.544 nan 8.310 nan 0.000 0.629 63 T N -1.217 113.379 114.554 0.071 0.000 2.993 63 T HA 0.498 5.031 4.350 0.305 0.000 0.260 63 T C 0.775 175.531 174.700 0.094 0.000 0.939 63 T CA 0.387 62.538 62.100 0.086 0.000 0.886 63 T CB 0.246 69.215 68.868 0.169 0.000 1.209 63 T HN 0.732 nan 8.240 nan 0.000 0.518 64 G N 0.259 109.092 108.800 0.056 0.000 2.552 64 G HA2 0.598 4.741 3.960 0.305 0.000 0.324 64 G HA3 0.598 4.741 3.960 0.305 0.000 0.324 64 G C -0.958 174.009 174.900 0.112 0.000 1.217 64 G CA -0.319 44.844 45.100 0.106 0.000 0.989 64 G HN 0.276 nan 8.290 nan 0.000 0.490 65 T N -1.522 113.124 114.554 0.153 0.000 2.693 65 T HA 0.395 4.928 4.350 0.305 0.000 0.278 65 T C 0.718 175.560 174.700 0.237 0.000 0.994 65 T CA -0.381 61.849 62.100 0.217 0.000 1.033 65 T CB 0.817 69.759 68.868 0.123 0.000 1.342 65 T HN 0.695 nan 8.240 nan 0.000 0.538 66 W N 0.909 122.303 121.300 0.157 0.000 2.525 66 W HA 0.247 5.090 4.660 0.305 0.000 0.259 66 W C 0.294 176.790 176.519 -0.037 0.000 1.253 66 W CA 0.672 58.059 57.345 0.070 0.000 1.262 66 W CB -1.114 28.405 29.460 0.099 0.000 1.122 66 W HN 0.555 nan 8.180 nan 0.000 0.607 67 T N 0.628 114.745 114.554 -0.729 0.000 2.864 67 T HA 0.326 4.859 4.350 0.305 0.000 0.299 67 T C -0.525 173.955 174.700 -0.366 0.000 1.166 67 T CA -0.368 61.323 62.100 -0.682 0.000 1.007 67 T CB 1.748 69.842 68.868 -1.290 0.000 1.219 67 T HN -0.213 nan 8.240 nan 0.000 0.506 68 T N 2.552 116.996 114.554 -0.183 0.000 2.834 68 T HA 0.461 4.994 4.350 0.305 0.000 0.298 68 T C 0.185 174.950 174.700 0.109 0.000 0.966 68 T CA -0.349 61.752 62.100 0.002 0.000 1.141 68 T CB 0.070 68.992 68.868 0.090 0.000 0.905 68 T HN 0.672 nan 8.240 nan 0.000 0.535 69 V N 3.277 123.207 119.914 0.027 0.000 2.513 69 V HA 0.477 4.780 4.120 0.305 0.000 0.299 69 V C 1.225 177.146 176.094 -0.287 0.000 1.035 69 V CA -1.181 61.047 62.300 -0.120 0.000 0.889 69 V CB 1.299 32.979 31.823 -0.238 0.000 0.988 69 V HN 1.041 nan 8.190 nan 0.000 0.440 70 W N 2.745 123.570 121.300 -0.791 0.000 2.402 70 W HA -0.128 4.715 4.660 0.306 0.000 0.286 70 W C 1.515 177.785 176.519 -0.414 0.000 1.221 70 W CA 1.675 58.401 57.345 -1.032 0.000 1.257 70 W CB -1.713 26.895 29.460 -1.420 0.000 1.120 70 W HN 0.764 nan 8.180 nan 0.000 0.551 71 T N -0.726 113.147 114.554 -1.136 0.000 2.897 71 T HA -0.254 4.279 4.350 0.305 0.000 0.271 71 T C 1.100 175.559 174.700 -0.401 0.000 1.084 71 T CA 1.761 63.265 62.100 -0.993 0.000 1.123 71 T CB -0.683 67.555 68.868 -1.051 0.000 0.865 71 T HN -0.058 nan 8.240 nan 0.000 0.496 72 D N 1.977 122.221 120.400 -0.260 0.000 2.182 72 D HA -0.025 4.798 4.640 0.305 0.000 0.201 72 D C 2.292 178.562 176.300 -0.049 0.000 0.986 72 D CA 1.332 55.266 54.000 -0.110 0.000 0.847 72 D CB -0.901 39.872 40.800 -0.044 0.000 0.942 72 D HN 0.613 nan 8.370 nan 0.000 0.467 73 G N -0.189 108.598 108.800 -0.021 0.000 2.679 73 G HA2 -0.099 4.044 3.960 0.305 0.000 0.212 73 G HA3 -0.099 4.044 3.960 0.305 0.000 0.212 73 G C 1.464 176.388 174.900 0.040 0.000 1.137 73 G CA 0.008 45.131 45.100 0.039 0.000 0.787 73 G HN 0.280 nan 8.290 nan 0.000 0.534 74 L N 0.448 121.672 121.223 0.001 0.000 2.446 74 L HA 0.161 4.684 4.340 0.305 0.000 0.219 74 L C 1.070 177.946 176.870 0.010 0.000 1.116 74 L CA 0.379 55.226 54.840 0.012 0.000 0.844 74 L CB -0.099 41.944 42.059 -0.027 0.000 0.970 74 L HN 0.101 nan 8.230 nan 0.000 0.457 75 T N -2.056 112.504 114.554 0.010 0.000 2.841 75 T HA 0.231 4.764 4.350 0.305 0.000 0.276 75 T C -0.387 174.364 174.700 0.084 0.000 1.003 75 T CA -0.595 61.543 62.100 0.063 0.000 0.995 75 T CB 1.552 70.462 68.868 0.069 0.000 1.260 75 T HN -0.163 nan 8.240 nan 0.000 0.581 76 N N 0.983 119.766 118.700 0.139 0.000 2.816 76 N HA 0.195 5.118 4.740 0.305 0.000 0.236 76 N C 0.428 175.994 175.510 0.093 0.000 1.076 76 N CA -0.593 52.497 53.050 0.068 0.000 0.902 76 N CB 0.211 38.702 38.487 0.006 0.000 1.149 76 N HN 0.458 nan 8.380 nan 0.000 0.506 77 L N 2.059 123.329 121.223 0.078 0.000 2.187 77 L HA -0.085 4.438 4.340 0.305 0.000 0.213 77 L C 1.249 178.122 176.870 0.005 0.000 1.100 77 L CA 1.511 56.399 54.840 0.080 0.000 0.765 77 L CB -0.164 41.910 42.059 0.025 0.000 0.904 77 L HN 0.478 nan 8.230 nan 0.000 0.437 78 D N -0.542 119.831 120.400 -0.046 0.000 2.218 78 D HA -0.183 4.640 4.640 0.305 0.000 0.204 78 D C 2.095 178.325 176.300 -0.117 0.000 0.976 78 D CA 1.148 55.097 54.000 -0.085 0.000 0.853 78 D CB -0.031 40.726 40.800 -0.070 0.000 0.939 78 D HN 0.533 nan 8.370 nan 0.000 0.481 79 R N -0.892 119.493 120.500 -0.192 0.000 2.300 79 R HA 0.014 4.538 4.340 0.305 0.000 0.199 79 R C 0.956 176.996 176.300 -0.433 0.000 0.920 79 R CA 0.460 56.362 56.100 -0.330 0.000 1.046 79 R CB -0.130 29.904 30.300 -0.444 0.000 0.984 79 R HN 0.177 nan 8.270 nan 0.000 0.493 80 Y N 2.054 122.341 120.300 -0.020 0.000 2.535 80 Y HA 0.191 4.924 4.550 0.305 0.000 0.264 80 Y C 0.379 176.284 175.900 0.008 0.000 1.087 80 Y CA -0.586 57.506 58.100 -0.013 0.000 1.285 80 Y CB 0.309 38.757 38.460 -0.020 0.000 1.200 80 Y HN -0.010 nan 8.280 nan 0.000 0.514 81 K N 1.236 121.721 120.400 0.142 0.000 2.414 81 K HA 0.307 4.810 4.320 0.305 0.000 0.272 81 K C 0.599 177.258 176.600 0.098 0.000 0.993 81 K CA 0.205 56.589 56.287 0.163 0.000 0.964 81 K CB 0.514 33.057 32.500 0.071 0.000 0.925 81 K HN 0.136 nan 8.250 nan 0.000 0.487 82 G N 2.331 111.228 108.800 0.162 0.000 2.503 82 G HA2 0.304 4.447 3.960 0.305 0.000 0.257 82 G HA3 0.304 4.447 3.960 0.305 0.000 0.257 82 G C -0.839 174.051 174.900 -0.018 0.000 1.214 82 G CA -0.965 44.106 45.100 -0.049 0.000 0.839 82 G HN 0.641 nan 8.290 nan 0.000 0.559 83 R N 0.070 120.477 120.500 -0.155 0.000 2.538 83 R HA 0.313 4.836 4.340 0.305 0.000 0.292 83 R C -1.214 175.111 176.300 0.042 0.000 1.008 83 R CA -0.649 55.404 56.100 -0.079 0.000 0.896 83 R CB 1.964 32.074 30.300 -0.318 0.000 1.187 83 R HN 0.517 nan 8.270 nan 0.000 0.440 84 C N 5.186 124.548 119.300 0.104 0.000 2.322 84 C HA 0.252 4.895 4.460 0.305 0.000 0.343 84 C C 1.084 176.199 174.990 0.208 0.000 1.190 84 C CA -0.542 58.563 59.018 0.146 0.000 1.704 84 C CB -1.219 26.631 27.740 0.184 0.000 2.293 84 C HN 0.991 nan 8.230 nan 0.000 0.523 85 Y N 2.713 123.124 120.300 0.186 0.000 2.478 85 Y HA 0.441 5.174 4.550 0.305 0.000 0.261 85 Y C 0.814 176.882 175.900 0.279 0.000 1.127 85 Y CA -0.028 58.181 58.100 0.181 0.000 1.288 85 Y CB -0.418 38.200 38.460 0.263 0.000 1.084 85 Y HN 0.779 nan 8.280 nan 0.000 0.530 86 H N -0.023 118.986 119.070 -0.102 0.000 3.112 86 H HA 0.555 5.294 4.556 0.305 0.000 0.347 86 H C -2.014 173.422 175.328 0.181 0.000 1.188 86 H CA -0.928 55.136 56.048 0.027 0.000 1.240 86 H CB 1.963 31.635 29.762 -0.149 0.000 1.920 86 H HN 0.105 nan 8.280 nan 0.000 0.535 87 I N 3.781 124.144 120.570 -0.346 0.000 2.619 87 I HA 0.227 4.580 4.170 0.305 0.000 0.292 87 I C -1.029 174.907 176.117 -0.302 0.000 1.100 87 I CA -0.557 60.626 61.300 -0.194 0.000 1.043 87 I CB 2.400 40.333 38.000 -0.111 0.000 1.239 87 I HN 0.572 nan 8.210 nan 0.000 0.420 88 E N 5.777 125.958 120.200 -0.032 0.000 2.331 88 E HA 0.595 5.128 4.350 0.305 0.000 0.275 88 E C -2.993 173.713 176.600 0.178 0.000 0.895 88 E CA -2.225 54.213 56.400 0.062 0.000 0.753 88 E CB 2.361 32.122 29.700 0.102 0.000 1.216 88 E HN 0.103 nan 8.360 nan 0.000 0.434 89 P HA 0.072 nan 4.420 nan 0.000 0.274 89 P C -0.694 176.569 177.300 -0.063 0.000 1.231 89 P CA -0.504 62.568 63.100 -0.046 0.000 0.790 89 P CB 0.741 32.408 31.700 -0.055 0.000 0.951 90 V N 2.088 121.909 119.914 -0.155 0.000 2.432 90 V HA 0.407 4.710 4.120 0.305 0.000 0.275 90 V C 0.640 176.690 176.094 -0.073 0.000 1.043 90 V CA -0.689 61.568 62.300 -0.072 0.000 0.925 90 V CB 0.595 32.376 31.823 -0.070 0.000 0.985 90 V HN 0.680 nan 8.190 nan 0.000 0.466 91 A N 4.141 126.943 122.820 -0.030 0.000 2.511 91 A HA 0.502 5.005 4.320 0.305 0.000 0.242 91 A C 1.582 179.150 177.584 -0.027 0.000 1.069 91 A CA 0.602 52.624 52.037 -0.025 0.000 0.763 91 A CB -0.376 18.620 19.000 -0.008 0.000 1.001 91 A HN 2.138 nan 8.150 nan 0.000 0.498 92 G N 0.956 109.739 108.800 -0.028 0.000 2.189 92 G HA2 -0.205 3.938 3.960 0.305 0.000 0.267 92 G HA3 -0.205 3.938 3.960 0.305 0.000 0.267 92 G C 0.074 174.955 174.900 -0.031 0.000 0.975 92 G CA 0.704 45.790 45.100 -0.022 0.000 0.644 92 G HN 0.809 nan 8.290 nan 0.000 0.537 93 E N 0.722 120.890 120.200 -0.054 0.000 2.158 93 E HA 0.433 4.966 4.350 0.305 0.000 0.271 93 E C -0.289 176.250 176.600 -0.103 0.000 0.911 93 E CA -0.596 55.764 56.400 -0.066 0.000 0.767 93 E CB 1.400 31.059 29.700 -0.068 0.000 1.120 93 E HN 0.289 nan 8.360 nan 0.000 0.405 94 E N 1.839 121.995 120.200 -0.074 0.000 2.259 94 E HA 0.066 4.599 4.350 0.305 0.000 0.281 94 E C 0.046 176.591 176.600 -0.092 0.000 1.027 94 E CA -0.278 56.076 56.400 -0.077 0.000 0.838 94 E CB 0.452 30.131 29.700 -0.035 0.000 1.066 94 E HN 0.449 nan 8.360 nan 0.000 0.401 95 N N 2.713 121.335 118.700 -0.130 0.000 2.740 95 N HA -0.256 4.667 4.740 0.305 0.000 0.248 95 N C -1.046 174.392 175.510 -0.121 0.000 1.062 95 N CA 1.001 54.010 53.050 -0.069 0.000 0.704 95 N CB -0.648 37.865 38.487 0.044 0.000 0.968 95 N HN 0.544 nan 8.380 nan 0.000 0.547 96 Q N 0.443 120.004 119.800 -0.398 0.000 2.323 96 Q HA 0.543 5.066 4.340 0.305 0.000 0.271 96 Q C -1.429 174.246 176.000 -0.541 0.000 1.048 96 Q CA -0.706 54.941 55.803 -0.261 0.000 0.792 96 Q CB 1.059 29.719 28.738 -0.129 0.000 1.280 96 Q HN 0.283 nan 8.270 nan 0.000 0.441 97 Y N 1.508 121.793 120.300 -0.025 0.000 2.609 97 Y HA 0.527 5.260 4.550 0.305 0.000 0.342 97 Y C -0.408 175.469 175.900 -0.039 0.000 1.058 97 Y CA -1.135 56.947 58.100 -0.030 0.000 1.055 97 Y CB 1.480 39.908 38.460 -0.053 0.000 1.292 97 Y HN 0.455 nan 8.280 nan 0.000 0.476 98 I N 2.088 122.737 120.570 0.132 0.000 2.354 98 I HA 0.257 4.610 4.170 0.305 0.000 0.286 98 I C -0.881 175.212 176.117 -0.039 0.000 1.007 98 I CA -0.694 60.602 61.300 -0.007 0.000 1.167 98 I CB 0.484 38.495 38.000 0.018 0.000 1.320 98 I HN 0.571 nan 8.210 nan 0.000 0.458 99 C N 7.036 126.281 119.300 -0.091 0.000 2.295 99 C HA 0.464 5.107 4.460 0.305 0.000 0.331 99 C C -0.033 174.880 174.990 -0.128 0.000 1.280 99 C CA -0.667 58.321 59.018 -0.050 0.000 1.746 99 C CB -0.034 27.678 27.740 -0.046 0.000 2.328 99 C HN 0.483 nan 8.230 nan 0.000 0.521 100 Y N 1.999 122.249 120.300 -0.084 0.000 2.326 100 Y HA 0.536 5.269 4.550 0.305 0.000 0.337 100 Y C 0.350 176.109 175.900 -0.235 0.000 1.023 100 Y CA -0.248 57.749 58.100 -0.172 0.000 1.143 100 Y CB 0.830 38.983 38.460 -0.512 0.000 1.183 100 Y HN 0.402 nan 8.280 nan 0.000 0.485 101 V N 3.042 123.068 119.914 0.188 0.000 2.604 101 V HA 0.807 5.111 4.120 0.305 0.000 0.305 101 V C -0.397 175.820 176.094 0.204 0.000 1.043 101 V CA -1.085 61.299 62.300 0.140 0.000 0.888 101 V CB 1.673 33.524 31.823 0.046 0.000 0.995 101 V HN 0.841 nan 8.190 nan 0.000 0.429 102 A N 4.202 127.096 122.820 0.122 0.000 2.318 102 A HA 0.861 5.364 4.320 0.305 0.000 0.324 102 A C -1.482 175.987 177.584 -0.191 0.000 1.170 102 A CA -0.385 51.695 52.037 0.070 0.000 0.810 102 A CB 0.633 19.717 19.000 0.141 0.000 1.198 102 A HN 0.736 nan 8.150 nan 0.000 0.484 103 Y N 2.408 122.817 120.300 0.182 0.000 2.341 103 Y HA 0.443 5.176 4.550 0.305 0.000 0.338 103 Y C -2.360 173.664 175.900 0.206 0.000 0.965 103 Y CA -2.380 55.846 58.100 0.210 0.000 1.108 103 Y CB 1.706 40.407 38.460 0.402 0.000 1.180 103 Y HN 0.493 nan 8.280 nan 0.000 0.458 104 P HA -0.035 nan 4.420 nan 0.000 0.269 104 P C 0.754 178.191 177.300 0.229 0.000 1.209 104 P CA -0.205 63.000 63.100 0.176 0.000 0.776 104 P CB 0.934 32.685 31.700 0.086 0.000 0.876 105 L N 2.832 124.157 121.223 0.169 0.000 2.081 105 L HA -0.215 4.308 4.340 0.305 0.000 0.212 105 L C 1.280 178.245 176.870 0.159 0.000 1.080 105 L CA 2.100 57.039 54.840 0.166 0.000 0.754 105 L CB -1.104 41.015 42.059 0.101 0.000 0.893 105 L HN 0.276 nan 8.230 nan 0.000 0.433 106 D N -0.694 119.775 120.400 0.115 0.000 2.309 106 D HA -0.140 4.683 4.640 0.305 0.000 0.212 106 D C 2.148 178.457 176.300 0.016 0.000 0.968 106 D CA 0.953 55.020 54.000 0.112 0.000 0.882 106 D CB -0.113 40.815 40.800 0.214 0.000 0.918 106 D HN 0.409 nan 8.370 nan 0.000 0.503 107 L N -0.792 120.341 121.223 -0.150 0.000 2.478 107 L HA 0.039 4.562 4.340 0.305 0.000 0.223 107 L C 0.128 176.540 176.870 -0.763 0.000 1.140 107 L CA 0.280 54.819 54.840 -0.501 0.000 0.842 107 L CB -0.109 41.515 42.059 -0.725 0.000 0.953 107 L HN -0.110 nan 8.230 nan 0.000 0.452 108 F N -0.490 119.407 119.950 -0.089 0.000 2.492 108 F HA 0.325 5.035 4.527 0.306 0.000 0.327 108 F C 0.602 176.416 175.800 0.023 0.000 1.079 108 F CA -1.172 56.768 58.000 -0.100 0.000 0.967 108 F CB 1.028 39.803 39.000 -0.375 0.000 1.169 108 F HN -0.194 nan 8.300 nan 0.000 0.472 109 E N 1.599 121.943 120.200 0.239 0.000 2.316 109 E HA 0.153 4.686 4.350 0.305 0.000 0.275 109 E C -0.834 175.901 176.600 0.224 0.000 1.029 109 E CA -0.610 55.891 56.400 0.167 0.000 0.871 109 E CB 0.614 30.369 29.700 0.091 0.000 1.022 109 E HN 0.519 nan 8.360 nan 0.000 0.418 110 E N 2.412 122.683 120.200 0.117 0.000 2.452 110 E HA 0.168 4.701 4.350 0.305 0.000 0.261 110 E C 0.846 177.226 176.600 -0.366 0.000 0.987 110 E CA 1.258 57.619 56.400 -0.065 0.000 0.926 110 E CB 0.536 30.195 29.700 -0.069 0.000 0.934 110 E HN 0.800 nan 8.360 nan 0.000 0.452 111 G N 2.557 110.735 108.800 -1.037 0.000 2.203 111 G HA2 -0.333 3.811 3.960 0.305 0.000 0.263 111 G HA3 -0.333 3.811 3.960 0.305 0.000 0.263 111 G C 0.238 174.790 174.900 -0.581 0.000 1.012 111 G CA 0.622 44.923 45.100 -1.332 0.000 0.749 111 G HN 0.527 nan 8.290 nan 0.000 0.512 112 S N -0.762 114.786 115.700 -0.254 0.000 2.622 112 S HA 0.518 5.171 4.470 0.305 0.000 0.283 112 S C 1.421 176.129 174.600 0.179 0.000 1.197 112 S CA 0.101 58.340 58.200 0.065 0.000 1.146 112 S CB 1.299 64.528 63.200 0.048 0.000 1.007 112 S HN 0.546 nan 8.310 nan 0.000 0.478 113 V N 4.656 124.649 119.914 0.131 0.000 2.490 113 V HA -0.122 4.181 4.120 0.305 0.000 0.250 113 V C 2.595 178.452 176.094 -0.395 0.000 1.061 113 V CA 2.442 64.554 62.300 -0.313 0.000 1.064 113 V CB -0.984 30.443 31.823 -0.661 0.000 0.670 113 V HN 0.837 nan 8.190 nan 0.000 0.461 114 T N 0.087 114.562 114.554 -0.131 0.000 2.665 114 T HA -0.255 4.278 4.350 0.305 0.000 0.268 114 T C 1.932 176.661 174.700 0.048 0.000 1.035 114 T CA 1.981 64.085 62.100 0.007 0.000 1.151 114 T CB -0.468 68.460 68.868 0.100 0.000 0.862 114 T HN 0.590 nan 8.240 nan 0.000 0.438 115 N N 0.507 119.249 118.700 0.071 0.000 2.142 115 N HA -0.074 4.849 4.740 0.305 0.000 0.186 115 N C 2.127 177.742 175.510 0.175 0.000 1.023 115 N CA 1.100 54.222 53.050 0.119 0.000 0.852 115 N CB -0.227 38.344 38.487 0.140 0.000 0.998 115 N HN 0.393 nan 8.380 nan 0.000 0.424 116 M N -0.177 119.516 119.600 0.155 0.000 2.080 116 M HA -0.186 4.477 4.480 0.305 0.000 0.260 116 M C 1.446 177.833 176.300 0.145 0.000 1.068 116 M CA 1.621 57.000 55.300 0.131 0.000 1.109 116 M CB -0.149 32.369 32.600 -0.136 0.000 1.342 116 M HN 0.044 nan 8.290 nan 0.000 0.405 117 F N 0.358 120.297 119.950 -0.018 0.000 2.186 117 F HA -0.104 4.606 4.527 0.305 0.000 0.299 117 F C 2.571 178.384 175.800 0.023 0.000 1.090 117 F CA 1.466 59.446 58.000 -0.034 0.000 1.307 117 F CB -1.630 37.311 39.000 -0.098 0.000 1.019 117 F HN 0.191 nan 8.300 nan 0.000 0.489 118 T N -0.836 113.854 114.554 0.226 0.000 2.720 118 T HA -0.183 4.350 4.350 0.305 0.000 0.268 118 T C 2.379 177.152 174.700 0.123 0.000 1.037 118 T CA 1.824 64.012 62.100 0.147 0.000 1.144 118 T CB -0.389 68.544 68.868 0.108 0.000 0.864 118 T HN 0.150 nan 8.240 nan 0.000 0.444 119 S N 0.709 116.478 115.700 0.115 0.000 2.329 119 S HA 0.096 4.749 4.470 0.305 0.000 0.215 119 S C 2.080 176.725 174.600 0.075 0.000 1.031 119 S CA 0.775 59.008 58.200 0.054 0.000 0.985 119 S CB -0.334 62.845 63.200 -0.035 0.000 0.917 119 S HN 0.398 nan 8.310 nan 0.000 0.441 120 I N 0.799 121.420 120.570 0.085 0.000 2.286 120 I HA -0.070 4.283 4.170 0.305 0.000 0.248 120 I C 1.440 177.775 176.117 0.363 0.000 1.115 120 I CA 1.030 62.418 61.300 0.147 0.000 1.392 120 I CB -0.064 37.989 38.000 0.089 0.000 1.065 120 I HN 0.140 nan 8.210 nan 0.000 0.418 121 V N 0.201 120.290 119.914 0.291 0.000 3.477 121 V HA 0.220 4.523 4.120 0.305 0.000 0.297 121 V C 1.944 178.163 176.094 0.209 0.000 1.433 121 V CA 0.633 63.121 62.300 0.312 0.000 1.052 121 V CB 0.443 32.262 31.823 -0.007 0.000 0.895 121 V HN 0.422 nan 8.190 nan 0.000 0.438 122 G N 1.430 110.339 108.800 0.182 0.000 2.587 122 G HA2 -0.244 3.899 3.960 0.305 0.000 0.217 122 G HA3 -0.244 3.899 3.960 0.305 0.000 0.217 122 G C 1.196 176.191 174.900 0.159 0.000 1.240 122 G CA 1.454 46.638 45.100 0.139 0.000 0.794 122 G HN 0.546 nan 8.290 nan 0.000 0.580 123 N N -0.313 118.501 118.700 0.190 0.000 2.317 123 N HA 0.004 4.927 4.740 0.305 0.000 0.199 123 N C 2.292 177.984 175.510 0.304 0.000 1.145 123 N CA 0.900 54.077 53.050 0.212 0.000 0.882 123 N CB 0.191 38.790 38.487 0.186 0.000 1.113 123 N HN 0.310 nan 8.380 nan 0.000 0.486 124 V N -0.830 119.234 119.914 0.249 0.000 2.546 124 V HA -0.163 4.140 4.120 0.305 0.000 0.254 124 V C 1.730 177.877 176.094 0.089 0.000 1.076 124 V CA 1.410 63.767 62.300 0.096 0.000 1.087 124 V CB -1.301 30.344 31.823 -0.298 0.000 0.674 124 V HN -0.053 nan 8.190 nan 0.000 0.470 125 F N 2.371 122.372 119.950 0.085 0.000 2.546 125 F HA 0.249 4.959 4.527 0.305 0.000 0.298 125 F C 2.305 178.216 175.800 0.185 0.000 1.120 125 F CA 1.212 59.270 58.000 0.097 0.000 1.456 125 F CB -0.664 38.369 39.000 0.056 0.000 1.088 125 F HN 0.354 nan 8.300 nan 0.000 0.572 126 G N -1.718 107.271 108.800 0.315 0.000 3.233 126 G HA2 0.056 4.199 3.960 0.305 0.000 0.234 126 G HA3 0.056 4.199 3.960 0.305 0.000 0.234 126 G C 0.067 175.036 174.900 0.114 0.000 1.137 126 G CA -0.245 44.968 45.100 0.189 0.000 0.763 126 G HN 0.017 nan 8.290 nan 0.000 0.549 127 F N 1.444 121.396 119.950 0.003 0.000 2.578 127 F HA 0.185 4.895 4.527 0.305 0.000 0.376 127 F C 1.780 177.571 175.800 -0.015 0.000 1.085 127 F CA 0.222 58.207 58.000 -0.025 0.000 1.260 127 F CB 1.104 40.058 39.000 -0.077 0.000 1.095 127 F HN -0.034 nan 8.300 nan 0.000 0.573 128 K N 2.765 123.168 120.400 0.006 0.000 2.209 128 K HA -0.159 4.344 4.320 0.305 0.000 0.204 128 K C 1.984 178.629 176.600 0.075 0.000 1.048 128 K CA 1.192 57.490 56.287 0.019 0.000 0.940 128 K CB -0.153 32.327 32.500 -0.034 0.000 0.729 128 K HN 0.720 nan 8.250 nan 0.000 0.451 129 A N 0.990 123.899 122.820 0.149 0.000 2.172 129 A HA -0.002 4.502 4.320 0.305 0.000 0.216 129 A C 0.855 178.480 177.584 0.069 0.000 1.154 129 A CA 0.757 52.866 52.037 0.122 0.000 0.701 129 A CB -0.206 18.897 19.000 0.172 0.000 0.789 129 A HN 0.105 nan 8.150 nan 0.000 0.465 130 L N -1.850 119.419 121.223 0.077 0.000 2.334 130 L HA 0.445 4.968 4.340 0.305 0.000 0.273 130 L C 1.249 178.153 176.870 0.057 0.000 1.013 130 L CA -0.766 54.096 54.840 0.036 0.000 0.816 130 L CB 1.607 43.663 42.059 -0.005 0.000 1.278 130 L HN 0.127 nan 8.230 nan 0.000 0.431 131 R N 1.134 121.666 120.500 0.053 0.000 2.128 131 R HA 0.388 4.911 4.340 0.305 0.000 0.211 131 R C 0.040 176.399 176.300 0.098 0.000 1.067 131 R CA 0.617 56.752 56.100 0.058 0.000 1.010 131 R CB 0.484 30.811 30.300 0.046 0.000 0.922 131 R HN 0.738 nan 8.270 nan 0.000 0.457 132 A N 0.437 123.336 122.820 0.131 0.000 2.608 132 A HA 0.601 5.104 4.320 0.305 0.000 0.292 132 A C -2.102 175.568 177.584 0.144 0.000 1.066 132 A CA -0.624 51.584 52.037 0.285 0.000 0.676 132 A CB 1.651 20.797 19.000 0.245 0.000 1.277 132 A HN 0.038 nan 8.150 nan 0.000 0.413 133 L N 0.396 121.667 121.223 0.081 0.000 2.513 133 L HA 0.808 5.332 4.340 0.305 0.000 0.261 133 L C -0.711 176.089 176.870 -0.116 0.000 0.945 133 L CA -0.105 54.611 54.840 -0.207 0.000 0.848 133 L CB 1.991 43.662 42.059 -0.646 0.000 1.334 133 L HN 0.865 nan 8.230 nan 0.000 0.407 134 R N 3.939 124.469 120.500 0.050 0.000 2.574 134 R HA 0.597 5.120 4.340 0.305 0.000 0.288 134 R C -1.917 174.470 176.300 0.146 0.000 1.004 134 R CA -0.875 55.329 56.100 0.173 0.000 0.895 134 R CB 1.778 32.140 30.300 0.104 0.000 1.191 134 R HN 0.668 nan 8.270 nan 0.000 0.444 135 L N 4.554 125.871 121.223 0.155 0.000 2.260 135 L HA 0.264 4.788 4.340 0.305 0.000 0.289 135 L C 0.740 177.516 176.870 -0.157 0.000 1.057 135 L CA 0.457 55.189 54.840 -0.180 0.000 0.811 135 L CB 1.181 43.136 42.059 -0.173 0.000 1.184 135 L HN 0.718 nan 8.230 nan 0.000 0.429 136 E N 2.276 122.299 120.200 -0.294 0.000 2.140 136 E HA 0.078 4.611 4.350 0.305 0.000 0.191 136 E C -0.208 176.269 176.600 -0.204 0.000 0.973 136 E CA 0.557 56.784 56.400 -0.289 0.000 0.829 136 E CB 0.409 29.694 29.700 -0.691 0.000 0.781 136 E HN 0.690 nan 8.360 nan 0.000 0.466 137 D N -1.227 119.050 120.400 -0.205 0.000 2.653 137 D HA 0.412 5.235 4.640 0.305 0.000 0.258 137 D C -1.588 174.822 176.300 0.184 0.000 1.252 137 D CA -0.482 53.553 54.000 0.059 0.000 0.777 137 D CB 1.380 42.283 40.800 0.172 0.000 1.339 137 D HN -0.152 nan 8.370 nan 0.000 0.422 138 L N 1.266 122.607 121.223 0.197 0.000 2.464 138 L HA 0.481 5.004 4.340 0.305 0.000 0.266 138 L C -0.446 176.361 176.870 -0.105 0.000 0.965 138 L CA -0.898 53.948 54.840 0.009 0.000 0.833 138 L CB 2.253 44.288 42.059 -0.041 0.000 1.296 138 L HN 0.206 nan 8.230 nan 0.000 0.405 139 R N 4.087 124.295 120.500 -0.487 0.000 2.198 139 R HA 0.473 4.996 4.340 0.305 0.000 0.339 139 R C -1.019 175.098 176.300 -0.306 0.000 1.020 139 R CA -0.440 55.407 56.100 -0.422 0.000 0.864 139 R CB 0.386 30.284 30.300 -0.671 0.000 1.105 139 R HN 0.562 nan 8.270 nan 0.000 0.463 140 I N 8.044 128.451 120.570 -0.272 0.000 2.301 140 I HA 0.227 4.580 4.170 0.305 0.000 0.292 140 I C -1.652 174.345 176.117 -0.200 0.000 1.046 140 I CA -1.980 59.184 61.300 -0.226 0.000 1.282 140 I CB 1.560 39.408 38.000 -0.253 0.000 1.409 140 I HN 0.321 nan 8.210 nan 0.000 0.484 141 P HA -0.035 nan 4.420 nan 0.000 0.269 141 P C 1.083 178.371 177.300 -0.019 0.000 1.209 141 P CA -0.147 62.917 63.100 -0.060 0.000 0.776 141 P CB 1.245 32.934 31.700 -0.019 0.000 0.876 142 V N 0.358 120.256 119.914 -0.026 0.000 2.594 142 V HA -0.206 4.097 4.120 0.305 0.000 0.253 142 V C 2.235 178.363 176.094 0.056 0.000 1.069 142 V CA 1.992 64.293 62.300 0.003 0.000 1.082 142 V CB -2.104 29.725 31.823 0.010 0.000 0.680 142 V HN 0.539 nan 8.190 nan 0.000 0.469 143 A N -0.986 121.878 122.820 0.074 0.000 2.015 143 A HA -0.089 4.415 4.320 0.305 0.000 0.219 143 A C 2.125 179.813 177.584 0.173 0.000 1.163 143 A CA 1.723 53.819 52.037 0.100 0.000 0.646 143 A CB -0.716 18.336 19.000 0.088 0.000 0.806 143 A HN 0.691 nan 8.150 nan 0.000 0.448 144 Y N 0.065 120.389 120.300 0.040 0.000 2.314 144 Y HA -0.012 4.721 4.550 0.305 0.000 0.294 144 Y C 2.326 178.356 175.900 0.216 0.000 1.119 144 Y CA 0.973 59.128 58.100 0.092 0.000 1.179 144 Y CB -0.277 38.212 38.460 0.047 0.000 1.025 144 Y HN 0.048 nan 8.280 nan 0.000 0.541 145 V N 0.800 120.801 119.914 0.145 0.000 2.324 145 V HA -0.330 3.973 4.120 0.305 0.000 0.250 145 V C 2.262 178.466 176.094 0.183 0.000 1.060 145 V CA 2.083 64.458 62.300 0.126 0.000 1.042 145 V CB -0.532 31.321 31.823 0.050 0.000 0.650 145 V HN 0.245 nan 8.190 nan 0.000 0.450 146 K N 0.533 120.998 120.400 0.109 0.000 2.442 146 K HA -0.089 4.414 4.320 0.305 0.000 0.198 146 K C 2.048 178.657 176.600 0.014 0.000 1.042 146 K CA 1.550 57.879 56.287 0.071 0.000 0.958 146 K CB -0.731 31.800 32.500 0.052 0.000 0.766 146 K HN 0.767 nan 8.250 nan 0.000 0.474 147 T N -2.140 112.376 114.554 -0.064 0.000 3.129 147 T HA 0.112 4.645 4.350 0.305 0.000 0.251 147 T C 0.541 174.987 174.700 -0.423 0.000 1.117 147 T CA -0.153 61.790 62.100 -0.262 0.000 1.034 147 T CB -0.212 68.414 68.868 -0.402 0.000 0.968 147 T HN -0.162 nan 8.240 nan 0.000 0.526 148 F N 0.974 120.844 119.950 -0.134 0.000 2.483 148 F HA 0.505 5.215 4.527 0.306 0.000 0.329 148 F C 1.592 177.365 175.800 -0.045 0.000 1.064 148 F CA -1.316 56.632 58.000 -0.087 0.000 0.986 148 F CB 1.845 40.778 39.000 -0.111 0.000 1.218 148 F HN -0.147 nan 8.300 nan 0.000 0.484 149 Q N 1.625 121.529 119.800 0.174 0.000 2.137 149 Q HA 0.241 4.765 4.340 0.305 0.000 0.198 149 Q C 0.965 177.000 176.000 0.058 0.000 0.960 149 Q CA 1.132 56.961 55.803 0.044 0.000 0.847 149 Q CB -0.006 28.697 28.738 -0.058 0.000 0.915 149 Q HN 1.005 nan 8.270 nan 0.000 0.448 150 G N 0.467 109.328 108.800 0.102 0.000 2.632 150 G HA2 -0.231 3.912 3.960 0.305 0.000 0.224 150 G HA3 -0.231 3.912 3.960 0.305 0.000 0.224 150 G C -2.595 172.294 174.900 -0.017 0.000 1.341 150 G CA -0.457 44.658 45.100 0.025 0.000 0.880 150 G HN 0.302 nan 8.290 nan 0.000 0.566 151 P HA 0.222 nan 4.420 nan 0.000 0.265 151 P C -1.766 175.465 177.300 -0.115 0.000 1.193 151 P CA -0.483 62.570 63.100 -0.080 0.000 0.765 151 P CB 0.410 32.062 31.700 -0.080 0.000 0.823 152 P HA -0.169 nan 4.420 nan 0.000 0.219 152 P C 0.648 177.515 177.300 -0.721 0.000 1.146 152 P CA 1.829 64.699 63.100 -0.384 0.000 0.808 152 P CB 0.065 31.560 31.700 -0.341 0.000 0.779 153 H N -3.768 115.285 119.070 -0.028 0.000 1.855 153 H HA 0.346 5.085 4.556 0.306 0.000 0.178 153 H C 1.141 176.464 175.328 -0.010 0.000 0.923 153 H CA 1.019 57.057 56.048 -0.016 0.000 0.993 153 H CB 0.181 29.936 29.762 -0.013 0.000 1.078 153 H HN 0.057 nan 8.280 nan 0.000 0.349 154 G N 1.145 110.009 108.800 0.107 0.000 2.663 154 G HA2 -0.184 3.959 3.960 0.305 0.000 0.686 154 G HA3 -0.184 3.959 3.960 0.305 0.000 0.686 154 G C 0.837 175.785 174.900 0.080 0.000 1.288 154 G CA -0.099 45.034 45.100 0.055 0.000 0.836 154 G HN 0.193 nan 8.290 nan 0.000 0.584 155 I N 0.144 120.748 120.570 0.057 0.000 2.087 155 I HA -0.328 4.025 4.170 0.305 0.000 0.240 155 I C 2.921 179.087 176.117 0.081 0.000 1.054 155 I CA 2.572 63.912 61.300 0.067 0.000 1.311 155 I CB -0.329 37.699 38.000 0.047 0.000 1.024 155 I HN 0.788 nan 8.210 nan 0.000 0.402 156 Q N 1.022 120.869 119.800 0.078 0.000 2.002 156 Q HA -0.215 4.308 4.340 0.305 0.000 0.204 156 Q C 2.380 178.440 176.000 0.101 0.000 0.988 156 Q CA 2.641 58.502 55.803 0.095 0.000 0.843 156 Q CB -0.103 28.683 28.738 0.079 0.000 0.908 156 Q HN 0.395 nan 8.270 nan 0.000 0.420 157 V N 1.221 121.190 119.914 0.092 0.000 2.407 157 V HA -0.266 4.037 4.120 0.305 0.000 0.248 157 V C 2.316 178.441 176.094 0.052 0.000 1.055 157 V CA 2.262 64.613 62.300 0.086 0.000 1.049 157 V CB -0.797 31.101 31.823 0.126 0.000 0.662 157 V HN 0.501 nan 8.190 nan 0.000 0.455 158 E N 0.376 120.615 120.200 0.065 0.000 2.031 158 E HA -0.244 4.289 4.350 0.305 0.000 0.193 158 E C 2.486 179.099 176.600 0.023 0.000 0.994 158 E CA 1.419 57.848 56.400 0.048 0.000 0.800 158 E CB -0.124 29.643 29.700 0.112 0.000 0.752 158 E HN 0.489 nan 8.360 nan 0.000 0.447 159 R N 0.344 120.855 120.500 0.019 0.000 2.105 159 R HA -0.151 4.373 4.340 0.305 0.000 0.239 159 R C 1.973 178.170 176.300 -0.172 0.000 1.135 159 R CA 1.567 57.602 56.100 -0.109 0.000 0.967 159 R CB -0.210 30.073 30.300 -0.028 0.000 0.861 159 R HN 0.309 nan 8.270 nan 0.000 0.442 160 D N 0.268 120.693 120.400 0.042 0.000 2.144 160 D HA -0.099 4.724 4.640 0.305 0.000 0.200 160 D C 1.806 178.127 176.300 0.035 0.000 0.978 160 D CA 0.981 55.051 54.000 0.116 0.000 0.833 160 D CB 0.035 40.919 40.800 0.141 0.000 0.961 160 D HN 0.039 nan 8.370 nan 0.000 0.470 161 K N 0.403 120.800 120.400 -0.004 0.000 2.025 161 K HA 0.010 4.513 4.320 0.305 0.000 0.207 161 K C 2.195 178.780 176.600 -0.025 0.000 1.049 161 K CA 0.483 56.756 56.287 -0.023 0.000 0.933 161 K CB -0.322 32.138 32.500 -0.065 0.000 0.714 161 K HN 0.256 nan 8.250 nan 0.000 0.438 162 L N 0.292 121.487 121.223 -0.047 0.000 2.509 162 L HA 0.074 4.597 4.340 0.305 0.000 0.222 162 L C 0.498 177.293 176.870 -0.125 0.000 1.123 162 L CA 0.012 54.816 54.840 -0.060 0.000 0.856 162 L CB -0.546 41.491 42.059 -0.038 0.000 0.985 162 L HN 0.385 nan 8.230 nan 0.000 0.456 163 N N 1.247 119.835 118.700 -0.187 0.000 2.758 163 N HA -0.174 4.750 4.740 0.305 0.000 0.248 163 N C -0.579 174.681 175.510 -0.417 0.000 1.076 163 N CA 0.365 53.279 53.050 -0.226 0.000 0.696 163 N CB -0.366 38.098 38.487 -0.038 0.000 0.979 163 N HN 0.382 nan 8.380 nan 0.000 0.550 164 K N 1.431 121.412 120.400 -0.699 0.000 2.413 164 K HA 0.427 4.930 4.320 0.305 0.000 0.257 164 K C -1.378 174.800 176.600 -0.702 0.000 0.946 164 K CA -0.352 55.626 56.287 -0.514 0.000 0.823 164 K CB 1.121 33.453 32.500 -0.280 0.000 1.109 164 K HN 0.101 nan 8.250 nan 0.000 0.427 165 Y N -0.737 119.567 120.300 0.005 0.000 2.588 165 Y HA 0.431 5.164 4.550 0.304 0.000 0.343 165 Y C 1.042 176.948 175.900 0.010 0.000 1.065 165 Y CA -0.875 57.232 58.100 0.012 0.000 1.038 165 Y CB 2.365 40.833 38.460 0.012 0.000 1.297 165 Y HN 0.746 nan 8.280 nan 0.000 0.467 166 G N 1.297 110.211 108.800 0.189 0.000 2.148 166 G HA2 -0.210 3.934 3.960 0.305 0.000 0.254 166 G HA3 -0.210 3.934 3.960 0.305 0.000 0.254 166 G C -0.240 174.704 174.900 0.074 0.000 0.981 166 G CA 0.398 45.564 45.100 0.111 0.000 0.670 166 G HN 0.957 nan 8.290 nan 0.000 0.528 167 R N -2.179 118.358 120.500 0.063 0.000 2.753 167 R HA 0.568 5.092 4.340 0.305 0.000 0.272 167 R C -3.522 172.799 176.300 0.036 0.000 1.034 167 R CA -1.710 54.418 56.100 0.047 0.000 0.869 167 R CB 0.213 30.534 30.300 0.035 0.000 1.264 167 R HN 0.025 nan 8.270 nan 0.000 0.481 168 P HA 0.116 nan 4.420 nan 0.000 0.269 168 P C -0.524 176.783 177.300 0.012 0.000 1.215 168 P CA -0.291 62.825 63.100 0.028 0.000 0.780 168 P CB 0.505 32.231 31.700 0.043 0.000 0.898 169 L N 1.733 122.958 121.223 0.003 0.000 2.421 169 L HA 0.389 4.912 4.340 0.305 0.000 0.263 169 L C 0.199 177.088 176.870 0.031 0.000 1.122 169 L CA -0.574 54.264 54.840 -0.003 0.000 0.804 169 L CB 0.228 42.323 42.059 0.060 0.000 1.150 169 L HN 0.174 nan 8.230 nan 0.000 0.457 170 L N 1.044 122.275 121.223 0.012 0.000 2.333 170 L HA 0.672 5.196 4.340 0.305 0.000 0.280 170 L C 0.227 177.158 176.870 0.101 0.000 1.004 170 L CA -0.245 54.642 54.840 0.078 0.000 0.820 170 L CB 1.779 43.874 42.059 0.062 0.000 1.247 170 L HN 0.689 nan 8.230 nan 0.000 0.416 171 G N 0.822 109.696 108.800 0.123 0.000 3.042 171 G HA2 0.663 4.807 3.960 0.305 0.000 0.278 171 G HA3 0.663 4.807 3.960 0.305 0.000 0.278 171 G C -1.856 173.056 174.900 0.020 0.000 1.371 171 G CA -0.533 44.613 45.100 0.076 0.000 1.009 171 G HN 0.674 nan 8.290 nan 0.000 0.523 172 C N -0.309 118.949 119.300 -0.069 0.000 3.146 172 C HA 0.665 5.309 4.460 0.305 0.000 0.405 172 C C -0.345 174.596 174.990 -0.082 0.000 1.012 172 C CA -0.452 58.547 59.018 -0.033 0.000 1.217 172 C CB 0.571 28.317 27.740 0.010 0.000 1.599 172 C HN 0.827 nan 8.230 nan 0.000 0.567 173 T N 6.956 121.489 114.554 -0.034 0.000 2.806 173 T HA 0.430 4.963 4.350 0.305 0.000 0.290 173 T C 0.412 175.107 174.700 -0.009 0.000 0.966 173 T CA -0.283 61.809 62.100 -0.013 0.000 1.060 173 T CB 0.443 69.336 68.868 0.042 0.000 0.927 173 T HN 0.565 nan 8.240 nan 0.000 0.485 174 I N 3.910 124.460 120.570 -0.033 0.000 2.692 174 I HA 0.235 4.588 4.170 0.305 0.000 0.284 174 I C 0.648 176.751 176.117 -0.023 0.000 1.159 174 I CA 0.022 61.246 61.300 -0.127 0.000 1.423 174 I CB 0.094 37.788 38.000 -0.510 0.000 1.380 174 I HN 0.435 nan 8.210 nan 0.000 0.580 175 K N 6.258 126.647 120.400 -0.019 0.000 2.443 175 K HA 0.569 5.072 4.320 0.305 0.000 0.251 175 K C -2.402 174.214 176.600 0.027 0.000 0.972 175 K CA -1.633 54.674 56.287 0.033 0.000 0.833 175 K CB 1.512 34.039 32.500 0.044 0.000 1.317 175 K HN 0.308 nan 8.250 nan 0.000 0.441 176 P HA 0.141 nan 4.420 nan 0.000 0.270 176 P C 0.272 177.612 177.300 0.067 0.000 1.223 176 P CA -0.169 62.953 63.100 0.037 0.000 0.785 176 P CB 0.899 32.601 31.700 0.004 0.000 0.923 177 K N 0.161 120.596 120.400 0.059 0.000 2.034 177 K HA -0.094 4.410 4.320 0.305 0.000 0.214 177 K C 0.761 177.426 176.600 0.108 0.000 1.051 177 K CA 1.324 57.664 56.287 0.088 0.000 0.931 177 K CB -0.320 32.214 32.500 0.056 0.000 0.715 177 K HN 0.398 nan 8.250 nan 0.000 0.446 178 L N -2.124 119.101 121.223 0.002 0.000 2.333 178 L HA 0.426 4.949 4.340 0.305 0.000 0.263 178 L C 0.705 177.287 176.870 -0.480 0.000 1.014 178 L CA -0.320 54.430 54.840 -0.151 0.000 0.820 178 L CB 2.300 44.312 42.059 -0.078 0.000 1.352 178 L HN 0.471 nan 8.230 nan 0.000 0.421 179 G N 1.093 109.165 108.800 -1.213 0.000 2.284 179 G HA2 -0.165 3.978 3.960 0.305 0.000 0.201 179 G HA3 -0.165 3.978 3.960 0.305 0.000 0.201 179 G C -0.158 174.523 174.900 -0.365 0.000 0.998 179 G CA -0.603 43.972 45.100 -0.875 0.000 0.651 179 G HN 0.310 nan 8.290 nan 0.000 0.489 180 L N 2.405 123.578 121.223 -0.082 0.000 2.418 180 L HA 0.567 5.090 4.340 0.305 0.000 0.265 180 L C 1.470 178.506 176.870 0.276 0.000 1.143 180 L CA -0.007 54.923 54.840 0.149 0.000 0.809 180 L CB 1.394 43.628 42.059 0.292 0.000 1.124 180 L HN 0.468 nan 8.230 nan 0.000 0.456 181 S N 1.197 117.014 115.700 0.195 0.000 2.632 181 S HA 0.372 5.026 4.470 0.305 0.000 0.267 181 S C 0.970 175.657 174.600 0.145 0.000 1.276 181 S CA -0.194 58.105 58.200 0.165 0.000 0.998 181 S CB 1.605 64.849 63.200 0.073 0.000 0.953 181 S HN 0.696 nan 8.310 nan 0.000 0.547 182 A N 1.464 124.345 122.820 0.103 0.000 1.883 182 A HA -0.132 4.371 4.320 0.305 0.000 0.217 182 A C 2.125 179.662 177.584 -0.079 0.000 1.186 182 A CA 2.092 54.208 52.037 0.133 0.000 0.624 182 A CB -1.134 18.046 19.000 0.300 0.000 0.822 182 A HN 0.971 nan 8.150 nan 0.000 0.444 183 K N 0.047 120.149 120.400 -0.495 0.000 2.097 183 K HA -0.124 4.379 4.320 0.305 0.000 0.206 183 K C 1.686 178.110 176.600 -0.293 0.000 1.049 183 K CA 1.919 57.695 56.287 -0.853 0.000 0.933 183 K CB -0.383 31.630 32.500 -0.813 0.000 0.717 183 K HN 0.649 nan 8.250 nan 0.000 0.442 184 N N -1.196 117.442 118.700 -0.102 0.000 2.270 184 N HA -0.134 4.789 4.740 0.305 0.000 0.181 184 N C 1.393 176.939 175.510 0.061 0.000 1.016 184 N CA 0.738 53.785 53.050 -0.006 0.000 0.870 184 N CB -0.117 38.390 38.487 0.032 0.000 0.979 184 N HN 0.148 nan 8.380 nan 0.000 0.431 185 Y N 1.307 121.600 120.300 -0.013 0.000 2.145 185 Y HA -0.108 4.626 4.550 0.307 0.000 0.286 185 Y C 2.478 178.379 175.900 0.001 0.000 1.145 185 Y CA 1.692 59.810 58.100 0.029 0.000 1.148 185 Y CB -0.705 37.802 38.460 0.078 0.000 0.981 185 Y HN 0.003 nan 8.280 nan 0.000 0.507 186 G N -0.348 108.539 108.800 0.146 0.000 2.422 186 G HA2 -0.316 3.827 3.960 0.305 0.000 0.218 186 G HA3 -0.316 3.827 3.960 0.305 0.000 0.218 186 G C 1.755 176.697 174.900 0.069 0.000 1.146 186 G CA 0.943 46.099 45.100 0.095 0.000 0.769 186 G HN 0.404 nan 8.290 nan 0.000 0.547 187 R N 0.659 121.181 120.500 0.037 0.000 2.081 187 R HA 0.075 4.598 4.340 0.305 0.000 0.235 187 R C 2.707 179.049 176.300 0.070 0.000 1.131 187 R CA 1.646 57.791 56.100 0.074 0.000 0.960 187 R CB -0.503 29.813 30.300 0.027 0.000 0.856 187 R HN 0.234 nan 8.270 nan 0.000 0.436 188 A N 0.730 123.546 122.820 -0.006 0.000 1.898 188 A HA -0.063 4.440 4.320 0.305 0.000 0.216 188 A C 2.326 179.877 177.584 -0.055 0.000 1.181 188 A CA 1.494 53.500 52.037 -0.053 0.000 0.620 188 A CB -0.550 18.369 19.000 -0.134 0.000 0.819 188 A HN 0.227 nan 8.150 nan 0.000 0.442 189 V N -1.065 118.816 119.914 -0.055 0.000 2.261 189 V HA -0.296 4.007 4.120 0.305 0.000 0.246 189 V C 2.390 178.503 176.094 0.032 0.000 1.047 189 V CA 2.257 64.542 62.300 -0.024 0.000 1.015 189 V CB -1.038 30.741 31.823 -0.073 0.000 0.642 189 V HN 0.748 nan 8.190 nan 0.000 0.446 190 Y N 1.469 121.754 120.300 -0.025 0.000 2.128 190 Y HA -0.242 4.493 4.550 0.308 0.000 0.284 190 Y C 2.561 178.458 175.900 -0.004 0.000 1.154 190 Y CA 2.042 60.139 58.100 -0.005 0.000 1.149 190 Y CB -0.399 38.066 38.460 0.009 0.000 0.976 190 Y HN 0.286 nan 8.280 nan 0.000 0.505 191 E N -0.453 119.550 120.200 -0.329 0.000 2.110 191 E HA -0.205 4.328 4.350 0.305 0.000 0.193 191 E C 2.479 178.927 176.600 -0.253 0.000 0.988 191 E CA 1.413 57.580 56.400 -0.388 0.000 0.804 191 E CB -0.876 28.730 29.700 -0.157 0.000 0.745 191 E HN 0.560 nan 8.360 nan 0.000 0.458 192 C N 0.624 119.835 119.300 -0.147 0.000 2.462 192 C HA -0.041 4.602 4.460 0.305 0.000 0.278 192 C C 2.859 177.787 174.990 -0.104 0.000 1.253 192 C CA 0.275 59.234 59.018 -0.098 0.000 1.713 192 C CB -1.106 26.602 27.740 -0.053 0.000 2.049 192 C HN 0.359 nan 8.230 nan 0.000 0.477 193 L N 1.325 122.493 121.223 -0.092 0.000 2.131 193 L HA -0.150 4.373 4.340 0.305 0.000 0.210 193 L C 2.833 179.646 176.870 -0.095 0.000 1.092 193 L CA 1.642 56.442 54.840 -0.067 0.000 0.759 193 L CB -0.736 41.316 42.059 -0.011 0.000 0.903 193 L HN 0.498 nan 8.230 nan 0.000 0.435 194 R N 0.483 120.875 120.500 -0.180 0.000 2.280 194 R HA -0.033 4.490 4.340 0.305 0.000 0.207 194 R C 1.808 178.031 176.300 -0.127 0.000 1.043 194 R CA 1.124 57.121 56.100 -0.172 0.000 1.006 194 R CB -0.512 29.578 30.300 -0.349 0.000 0.885 194 R HN 0.223 nan 8.270 nan 0.000 0.467 195 G N -0.538 108.184 108.800 -0.129 0.000 2.985 195 G HA2 0.276 4.419 3.960 0.305 0.000 0.209 195 G HA3 0.276 4.419 3.960 0.305 0.000 0.209 195 G C 0.859 175.713 174.900 -0.077 0.000 1.165 195 G CA 0.217 45.258 45.100 -0.099 0.000 0.776 195 G HN 0.559 nan 8.290 nan 0.000 0.541 196 G N -0.696 108.061 108.800 -0.072 0.000 2.260 196 G HA2 -0.182 3.961 3.960 0.305 0.000 0.179 196 G HA3 -0.182 3.961 3.960 0.305 0.000 0.179 196 G C 0.317 175.174 174.900 -0.071 0.000 1.002 196 G CA -0.291 44.772 45.100 -0.062 0.000 0.677 196 G HN 0.332 nan 8.290 nan 0.000 0.486 197 L N 1.326 122.507 121.223 -0.071 0.000 2.417 197 L HA 0.360 4.883 4.340 0.305 0.000 0.268 197 L C 1.073 177.870 176.870 -0.122 0.000 1.158 197 L CA -0.523 54.277 54.840 -0.068 0.000 0.819 197 L CB 0.554 42.593 42.059 -0.034 0.000 1.112 197 L HN 0.015 nan 8.230 nan 0.000 0.458 198 D N 1.114 121.388 120.400 -0.210 0.000 2.216 198 D HA 0.072 4.895 4.640 0.305 0.000 0.208 198 D C -0.113 175.893 176.300 -0.491 0.000 0.960 198 D CA 1.393 55.117 54.000 -0.461 0.000 0.861 198 D CB 0.381 40.717 40.800 -0.773 0.000 0.985 198 D HN 0.142 nan 8.370 nan 0.000 0.493 199 F N -0.136 119.781 119.950 -0.056 0.000 2.629 199 F HA 0.362 5.073 4.527 0.307 0.000 0.316 199 F C 0.574 176.230 175.800 -0.241 0.000 1.081 199 F CA -1.010 56.901 58.000 -0.148 0.000 0.954 199 F CB 1.693 40.568 39.000 -0.209 0.000 1.337 199 F HN -0.333 nan 8.300 nan 0.000 0.474 203 D N 0.878 121.413 120.400 0.225 0.000 2.368 203 D HA -0.013 4.810 4.640 0.305 0.000 0.240 203 D C 1.469 177.771 176.300 0.003 0.000 1.169 203 D CA 0.018 54.081 54.000 0.105 0.000 0.906 203 D CB 1.073 41.947 40.800 0.125 0.000 1.187 203 D HN 0.413 nan 8.370 nan 0.000 0.435 204 E N 2.105 122.194 120.200 -0.184 0.000 2.160 204 E HA -0.255 4.278 4.350 0.305 0.000 0.195 204 E C 0.772 177.283 176.600 -0.147 0.000 0.991 204 E CA 1.236 57.429 56.400 -0.346 0.000 0.810 204 E CB -0.433 28.699 29.700 -0.946 0.000 0.742 204 E HN 0.494 nan 8.360 nan 0.000 0.466 205 N N 0.992 119.652 118.700 -0.067 0.000 2.336 205 N HA -0.009 4.914 4.740 0.305 0.000 0.189 205 N C 0.144 175.691 175.510 0.061 0.000 1.113 205 N CA 0.010 53.058 53.050 -0.003 0.000 0.858 205 N CB 0.024 38.519 38.487 0.014 0.000 0.970 205 N HN -0.040 nan 8.380 nan 0.000 0.471 206 V N 2.011 121.975 119.914 0.084 0.000 2.352 206 V HA 0.152 4.455 4.120 0.305 0.000 0.253 206 V C 0.326 176.472 176.094 0.087 0.000 1.083 206 V CA -0.162 62.207 62.300 0.114 0.000 0.993 206 V CB -0.864 31.039 31.823 0.132 0.000 1.111 206 V HN 0.305 nan 8.190 nan 0.000 0.490 207 N N 2.394 121.127 118.700 0.055 0.000 2.784 207 N HA 0.224 5.147 4.740 0.305 0.000 0.227 207 N C 0.017 175.561 175.510 0.057 0.000 1.109 207 N CA -0.221 52.862 53.050 0.055 0.000 1.184 207 N CB 0.421 38.915 38.487 0.012 0.000 1.554 207 N HN 0.485 nan 8.380 nan 0.000 0.589 208 S N 0.679 116.381 115.700 0.002 0.000 2.720 208 S HA 0.233 4.886 4.470 0.305 0.000 0.278 208 S C -1.939 172.584 174.600 -0.129 0.000 1.172 208 S CA -0.751 57.447 58.200 -0.003 0.000 1.019 208 S CB 0.544 63.847 63.200 0.172 0.000 1.049 208 S HN 0.278 nan 8.310 nan 0.000 0.483 209 Q N 3.567 123.172 119.800 -0.325 0.000 2.615 209 Q HA 0.483 5.007 4.340 0.305 0.000 0.298 209 Q C -2.727 173.007 176.000 -0.443 0.000 1.023 209 Q CA -2.059 53.505 55.803 -0.399 0.000 0.768 209 Q CB 0.194 28.635 28.738 -0.495 0.000 1.500 209 Q HN 0.225 nan 8.270 nan 0.000 0.441 210 P HA -0.172 nan 4.420 nan 0.000 0.217 210 P C 1.193 178.438 177.300 -0.091 0.000 1.151 210 P CA 1.838 64.868 63.100 -0.118 0.000 0.849 210 P CB -0.164 31.540 31.700 0.005 0.000 0.787 211 F N -2.696 117.262 119.950 0.014 0.000 2.558 211 F HA 0.273 4.983 4.527 0.305 0.000 0.298 211 F C 0.980 176.789 175.800 0.015 0.000 1.119 211 F CA 0.133 58.143 58.000 0.016 0.000 1.451 211 F CB -0.551 38.463 39.000 0.023 0.000 1.091 211 F HN -0.178 nan 8.300 nan 0.000 0.563 212 M N 1.359 120.724 119.600 -0.392 0.000 2.331 212 M HA 0.330 4.993 4.480 0.305 0.000 0.228 212 M C -1.462 174.682 176.300 -0.260 0.000 0.986 212 M CA -0.521 54.667 55.300 -0.188 0.000 0.972 212 M CB 1.019 33.615 32.600 -0.008 0.000 2.359 212 M HN -0.194 nan 8.290 nan 0.000 0.459 213 R N 3.812 124.214 120.500 -0.163 0.000 2.490 213 R HA 0.231 4.754 4.340 0.305 0.000 0.278 213 R C 1.133 177.342 176.300 -0.152 0.000 1.069 213 R CA -0.179 55.819 56.100 -0.171 0.000 1.080 213 R CB 0.573 30.742 30.300 -0.219 0.000 1.030 213 R HN 0.958 nan 8.270 nan 0.000 0.491 214 W N 4.474 125.671 121.300 -0.173 0.000 2.321 214 W HA -0.225 4.618 4.660 0.305 0.000 0.306 214 W C 1.115 177.461 176.519 -0.288 0.000 1.217 214 W CA 0.938 58.150 57.345 -0.221 0.000 1.257 214 W CB -0.481 28.769 29.460 -0.349 0.000 1.145 214 W HN 0.574 nan 8.180 nan 0.000 0.509 215 R N 0.939 120.619 120.500 -1.366 0.000 2.115 215 R HA -0.133 4.391 4.340 0.305 0.000 0.230 215 R C 1.883 177.967 176.300 -0.360 0.000 1.111 215 R CA 1.950 57.344 56.100 -1.176 0.000 0.976 215 R CB -0.358 28.941 30.300 -1.669 0.000 0.870 215 R HN 0.007 nan 8.270 nan 0.000 0.445 216 D N -0.173 120.068 120.400 -0.266 0.000 2.144 216 D HA -0.177 4.646 4.640 0.305 0.000 0.200 216 D C 1.835 178.252 176.300 0.194 0.000 0.978 216 D CA 0.945 54.921 54.000 -0.039 0.000 0.833 216 D CB -0.145 40.682 40.800 0.046 0.000 0.961 216 D HN 0.248 nan 8.370 nan 0.000 0.470 217 R N -0.243 120.385 120.500 0.214 0.000 2.066 217 R HA -0.129 4.394 4.340 0.305 0.000 0.232 217 R C 2.219 178.788 176.300 0.447 0.000 1.131 217 R CA 0.953 57.248 56.100 0.325 0.000 0.955 217 R CB -0.291 30.155 30.300 0.243 0.000 0.851 217 R HN 0.005 nan 8.270 nan 0.000 0.432 218 F N 0.896 120.979 119.950 0.221 0.000 2.126 218 F HA -0.204 4.507 4.527 0.306 0.000 0.299 218 F C 2.159 178.052 175.800 0.156 0.000 1.096 218 F CA 0.947 59.099 58.000 0.254 0.000 1.255 218 F CB -0.908 38.371 39.000 0.465 0.000 0.997 218 F HN 0.090 nan 8.300 nan 0.000 0.479 219 L N -1.069 120.371 121.223 0.361 0.000 1.994 219 L HA -0.206 4.317 4.340 0.305 0.000 0.208 219 L C 2.279 179.164 176.870 0.024 0.000 1.071 219 L CA 1.768 56.683 54.840 0.125 0.000 0.745 219 L CB -1.022 41.014 42.059 -0.037 0.000 0.892 219 L HN -0.025 nan 8.230 nan 0.000 0.431 220 F N -1.310 118.712 119.950 0.120 0.000 2.171 220 F HA -0.215 4.495 4.527 0.305 0.000 0.300 220 F C 2.666 178.491 175.800 0.041 0.000 1.090 220 F CA 1.308 59.355 58.000 0.078 0.000 1.293 220 F CB -1.246 37.804 39.000 0.084 0.000 1.013 220 F HN 0.153 nan 8.300 nan 0.000 0.486 221 C N -0.437 118.984 119.300 0.202 0.000 2.435 221 C HA -0.055 4.588 4.460 0.305 0.000 0.279 221 C C 3.082 178.039 174.990 -0.055 0.000 1.321 221 C CA 0.867 59.883 59.018 -0.003 0.000 1.752 221 C CB -1.568 26.061 27.740 -0.183 0.000 1.959 221 C HN 0.497 nan 8.230 nan 0.000 0.500 222 A N 0.191 122.991 122.820 -0.034 0.000 1.898 222 A HA -0.205 4.298 4.320 0.305 0.000 0.216 222 A C 2.172 179.712 177.584 -0.074 0.000 1.181 222 A CA 1.712 53.660 52.037 -0.150 0.000 0.620 222 A CB -0.648 18.319 19.000 -0.056 0.000 0.819 222 A HN 0.682 nan 8.150 nan 0.000 0.442 223 E N -0.038 120.207 120.200 0.075 0.000 2.077 223 E HA -0.164 4.369 4.350 0.305 0.000 0.193 223 E C 2.172 178.827 176.600 0.092 0.000 0.989 223 E CA 1.082 57.561 56.400 0.131 0.000 0.800 223 E CB -0.232 29.548 29.700 0.133 0.000 0.746 223 E HN 0.531 nan 8.360 nan 0.000 0.452 224 A N 1.307 124.171 122.820 0.073 0.000 1.877 224 A HA -0.185 4.318 4.320 0.305 0.000 0.216 224 A C 2.237 179.882 177.584 0.102 0.000 1.186 224 A CA 1.764 53.855 52.037 0.090 0.000 0.620 224 A CB -0.822 18.244 19.000 0.109 0.000 0.822 224 A HN 0.391 nan 8.150 nan 0.000 0.443 225 L N -3.170 118.046 121.223 -0.011 0.000 2.083 225 L HA -0.088 4.435 4.340 0.305 0.000 0.209 225 L C 2.248 179.118 176.870 0.001 0.000 1.083 225 L CA 1.862 56.678 54.840 -0.040 0.000 0.752 225 L CB -1.251 40.722 42.059 -0.143 0.000 0.899 225 L HN 0.267 nan 8.230 nan 0.000 0.433 226 Y N 0.667 121.009 120.300 0.070 0.000 2.242 226 Y HA -0.096 4.637 4.550 0.305 0.000 0.291 226 Y C 2.773 178.705 175.900 0.053 0.000 1.137 226 Y CA 1.327 59.456 58.100 0.050 0.000 1.181 226 Y CB -0.662 37.816 38.460 0.029 0.000 0.989 226 Y HN 0.309 nan 8.280 nan 0.000 0.527 227 K N 0.161 120.677 120.400 0.194 0.000 2.026 227 K HA -0.148 4.356 4.320 0.305 0.000 0.208 227 K C 2.273 179.002 176.600 0.215 0.000 1.048 227 K CA 1.190 57.542 56.287 0.110 0.000 0.929 227 K CB -0.231 32.211 32.500 -0.098 0.000 0.713 227 K HN 0.223 nan 8.250 nan 0.000 0.439 228 A N 1.034 124.040 122.820 0.310 0.000 1.930 228 A HA -0.210 4.293 4.320 0.305 0.000 0.217 228 A C 2.057 179.732 177.584 0.152 0.000 1.175 228 A CA 1.541 53.744 52.037 0.278 0.000 0.627 228 A CB -0.541 18.578 19.000 0.198 0.000 0.815 228 A HN 0.556 nan 8.150 nan 0.000 0.443 229 Q N -0.548 119.338 119.800 0.143 0.000 2.119 229 Q HA -0.086 4.437 4.340 0.305 0.000 0.201 229 Q C 2.122 178.182 176.000 0.100 0.000 0.972 229 Q CA 1.399 57.270 55.803 0.113 0.000 0.847 229 Q CB -0.308 28.519 28.738 0.149 0.000 0.903 229 Q HN 0.599 nan 8.270 nan 0.000 0.433 230 A N 0.746 123.635 122.820 0.114 0.000 1.930 230 A HA -0.214 4.289 4.320 0.305 0.000 0.217 230 A C 1.869 179.497 177.584 0.074 0.000 1.175 230 A CA 1.513 53.599 52.037 0.082 0.000 0.627 230 A CB -0.572 18.473 19.000 0.074 0.000 0.815 230 A HN 0.614 nan 8.150 nan 0.000 0.443 231 E N -0.258 120.002 120.200 0.100 0.000 2.072 231 E HA -0.170 4.363 4.350 0.305 0.000 0.191 231 E C 2.016 178.653 176.600 0.062 0.000 0.985 231 E CA 1.858 58.314 56.400 0.093 0.000 0.801 231 E CB -0.095 29.694 29.700 0.149 0.000 0.750 231 E HN 0.711 nan 8.360 nan 0.000 0.452 232 T N -3.872 110.715 114.554 0.054 0.000 3.044 232 T HA 0.232 4.765 4.350 0.305 0.000 0.255 232 T C 1.564 176.278 174.700 0.022 0.000 1.073 232 T CA 0.695 62.813 62.100 0.029 0.000 1.125 232 T CB 0.423 69.298 68.868 0.013 0.000 0.908 232 T HN 0.352 nan 8.240 nan 0.000 0.480 233 G N 1.200 110.018 108.800 0.029 0.000 2.159 233 G HA2 -0.198 3.945 3.960 0.305 0.000 0.256 233 G HA3 -0.198 3.945 3.960 0.305 0.000 0.256 233 G C -0.285 174.623 174.900 0.013 0.000 0.977 233 G CA 0.146 45.259 45.100 0.023 0.000 0.652 233 G HN 0.674 nan 8.290 nan 0.000 0.531 234 E N -0.357 119.847 120.200 0.006 0.000 2.199 234 E HA 0.557 5.091 4.350 0.305 0.000 0.269 234 E C 0.361 176.953 176.600 -0.013 0.000 0.899 234 E CA -1.070 55.321 56.400 -0.015 0.000 0.772 234 E CB 1.794 31.471 29.700 -0.038 0.000 1.155 234 E HN 0.301 nan 8.360 nan 0.000 0.408 235 I N 3.270 123.826 120.570 -0.024 0.000 2.683 235 I HA -0.017 4.336 4.170 0.305 0.000 0.286 235 I C 0.468 176.559 176.117 -0.043 0.000 1.175 235 I CA 0.515 61.810 61.300 -0.009 0.000 1.429 235 I CB 0.066 38.061 38.000 -0.008 0.000 1.371 235 I HN 0.193 nan 8.210 nan 0.000 0.569 236 K N 4.394 124.797 120.400 0.006 0.000 2.350 236 K HA 0.818 5.321 4.320 0.305 0.000 0.241 236 K C -0.287 176.367 176.600 0.090 0.000 0.994 236 K CA -0.776 55.509 56.287 -0.002 0.000 0.839 236 K CB 2.230 34.740 32.500 0.017 0.000 1.244 236 K HN 0.785 nan 8.250 nan 0.000 0.443 237 G N 0.129 109.050 108.800 0.202 0.000 2.720 237 G HA2 0.340 4.483 3.960 0.305 0.000 0.295 237 G HA3 0.340 4.483 3.960 0.305 0.000 0.295 237 G C -1.984 173.106 174.900 0.317 0.000 1.437 237 G CA -0.329 44.966 45.100 0.325 0.000 0.886 237 G HN 0.558 nan 8.290 nan 0.000 0.509 238 H N 1.193 120.316 119.070 0.088 0.000 2.823 238 H HA 0.322 5.061 4.556 0.305 0.000 0.332 238 H C -0.938 174.410 175.328 0.033 0.000 0.980 238 H CA -0.584 55.461 56.048 -0.006 0.000 1.286 238 H CB 1.151 30.901 29.762 -0.021 0.000 1.541 238 H HN 0.360 nan 8.280 nan 0.000 0.521 239 Y N 5.609 125.605 120.300 -0.506 0.000 2.784 239 Y HA 0.029 4.763 4.550 0.306 0.000 0.355 239 Y C 0.658 176.366 175.900 -0.319 0.000 1.198 239 Y CA -0.327 57.540 58.100 -0.389 0.000 1.588 239 Y CB -0.622 37.591 38.460 -0.412 0.000 1.220 239 Y HN 0.383 nan 8.280 nan 0.000 0.517 240 L N 4.016 125.194 121.223 -0.074 0.000 2.313 240 L HA 0.192 4.715 4.340 0.305 0.000 0.282 240 L C 0.701 177.552 176.870 -0.032 0.000 1.092 240 L CA -0.062 54.642 54.840 -0.227 0.000 0.831 240 L CB 0.401 41.941 42.059 -0.865 0.000 1.159 240 L HN 0.591 nan 8.230 nan 0.000 0.442 241 N N 2.012 120.800 118.700 0.148 0.000 2.431 241 N HA 0.186 5.109 4.740 0.305 0.000 0.265 241 N C 0.544 176.232 175.510 0.296 0.000 1.184 241 N CA -0.083 53.095 53.050 0.213 0.000 0.943 241 N CB 0.985 39.585 38.487 0.188 0.000 1.080 241 N HN 0.777 nan 8.380 nan 0.000 0.477 242 A N 2.740 125.683 122.820 0.206 0.000 2.308 242 A HA 0.096 4.599 4.320 0.305 0.000 0.217 242 A C 0.598 178.222 177.584 0.066 0.000 1.216 242 A CA -0.123 51.984 52.037 0.116 0.000 0.864 242 A CB 0.108 19.142 19.000 0.058 0.000 0.902 242 A HN 0.579 nan 8.150 nan 0.000 0.499 243 T N 1.814 116.462 114.554 0.158 0.000 2.908 243 T HA 0.456 4.989 4.350 0.305 0.000 0.301 243 T C 0.280 174.993 174.700 0.021 0.000 1.019 243 T CA 0.921 63.115 62.100 0.158 0.000 1.152 243 T CB 0.751 69.653 68.868 0.056 0.000 0.966 243 T HN 0.700 nan 8.240 nan 0.000 0.540 244 A N 2.414 125.236 122.820 0.003 0.000 2.533 244 A HA 0.825 5.329 4.320 0.305 0.000 0.293 244 A C 1.314 178.876 177.584 -0.037 0.000 1.228 244 A CA -0.273 51.727 52.037 -0.062 0.000 0.689 244 A CB 0.553 19.466 19.000 -0.144 0.000 1.303 244 A HN 0.752 nan 8.150 nan 0.000 0.444 245 G N -0.903 107.867 108.800 -0.050 0.000 2.464 245 G HA2 0.357 4.500 3.960 0.305 0.000 0.217 245 G HA3 0.357 4.500 3.960 0.305 0.000 0.217 245 G C 0.654 175.534 174.900 -0.033 0.000 1.138 245 G CA 1.725 46.805 45.100 -0.035 0.000 0.793 245 G HN 1.542 nan 8.290 nan 0.000 0.539 246 T N -4.010 110.516 114.554 -0.047 0.000 2.901 246 T HA 0.306 4.839 4.350 0.305 0.000 0.293 246 T C 0.942 175.605 174.700 -0.062 0.000 1.084 246 T CA -0.270 61.803 62.100 -0.045 0.000 1.008 246 T CB 1.412 70.253 68.868 -0.045 0.000 1.170 246 T HN -0.066 nan 8.240 nan 0.000 0.509 247 C N 0.651 119.917 119.300 -0.056 0.000 2.425 247 C HA -0.027 4.616 4.460 0.305 0.000 0.277 247 C C 2.619 177.548 174.990 -0.101 0.000 1.280 247 C CA 0.861 59.833 59.018 -0.076 0.000 1.744 247 C CB -1.376 26.329 27.740 -0.059 0.000 1.989 247 C HN 1.019 nan 8.230 nan 0.000 0.491 248 E N 1.297 121.446 120.200 -0.084 0.000 2.077 248 E HA -0.164 4.369 4.350 0.305 0.000 0.193 248 E C 1.691 178.215 176.600 -0.126 0.000 0.989 248 E CA 1.390 57.736 56.400 -0.090 0.000 0.800 248 E CB -0.309 29.355 29.700 -0.061 0.000 0.746 248 E HN 0.556 nan 8.360 nan 0.000 0.452 249 D N -0.180 120.139 120.400 -0.135 0.000 2.144 249 D HA -0.129 4.694 4.640 0.305 0.000 0.200 249 D C 1.852 177.975 176.300 -0.295 0.000 0.978 249 D CA 0.776 54.656 54.000 -0.200 0.000 0.833 249 D CB -0.203 40.495 40.800 -0.171 0.000 0.961 249 D HN 0.174 nan 8.370 nan 0.000 0.470 250 M N -0.252 119.211 119.600 -0.229 0.000 2.086 250 M HA -0.175 4.488 4.480 0.305 0.000 0.261 250 M C 1.748 177.879 176.300 -0.281 0.000 1.067 250 M CA 1.239 56.396 55.300 -0.239 0.000 1.116 250 M CB 0.036 32.527 32.600 -0.182 0.000 1.348 250 M HN -0.107 nan 8.290 nan 0.000 0.407 251 M N 0.356 119.797 119.600 -0.265 0.000 2.159 251 M HA -0.185 4.478 4.480 0.305 0.000 0.263 251 M C 1.998 178.121 176.300 -0.294 0.000 1.063 251 M CA 1.669 56.776 55.300 -0.322 0.000 1.110 251 M CB -1.284 31.159 32.600 -0.262 0.000 1.374 251 M HN 0.317 nan 8.290 nan 0.000 0.411 252 K N -0.147 120.105 120.400 -0.247 0.000 2.063 252 K HA -0.158 4.345 4.320 0.305 0.000 0.208 252 K C 2.151 178.592 176.600 -0.266 0.000 1.048 252 K CA 1.362 57.535 56.287 -0.191 0.000 0.928 252 K CB -0.036 32.361 32.500 -0.171 0.000 0.713 252 K HN 0.328 nan 8.250 nan 0.000 0.442 253 R N -0.097 120.059 120.500 -0.573 0.000 2.075 253 R HA -0.075 4.449 4.340 0.305 0.000 0.232 253 R C 2.355 178.687 176.300 0.053 0.000 1.126 253 R CA 1.218 56.930 56.100 -0.647 0.000 0.963 253 R CB -0.300 29.515 30.300 -0.810 0.000 0.858 253 R HN 0.162 nan 8.270 nan 0.000 0.435 254 A N 0.747 123.539 122.820 -0.047 0.000 1.902 254 A HA -0.106 4.397 4.320 0.305 0.000 0.217 254 A C 2.356 180.022 177.584 0.136 0.000 1.181 254 A CA 1.283 53.339 52.037 0.032 0.000 0.623 254 A CB -0.568 18.301 19.000 -0.219 0.000 0.818 254 A HN 0.114 nan 8.150 nan 0.000 0.443 255 V N -1.249 118.682 119.914 0.028 0.000 2.332 255 V HA -0.246 4.057 4.120 0.305 0.000 0.248 255 V C 2.275 178.572 176.094 0.338 0.000 1.055 255 V CA 2.226 64.640 62.300 0.190 0.000 1.038 255 V CB -0.837 31.051 31.823 0.108 0.000 0.651 255 V HN 0.633 nan 8.190 nan 0.000 0.450 256 F N 1.249 121.341 119.950 0.237 0.000 2.206 256 F HA -0.013 4.697 4.527 0.306 0.000 0.298 256 F C 2.229 178.246 175.800 0.361 0.000 1.090 256 F CA 0.877 59.070 58.000 0.321 0.000 1.323 256 F CB -0.665 38.609 39.000 0.456 0.000 1.028 256 F HN 0.085 nan 8.300 nan 0.000 0.492 257 A N 0.605 123.641 122.820 0.360 0.000 1.933 257 A HA -0.188 4.315 4.320 0.305 0.000 0.218 257 A C 2.466 180.101 177.584 0.085 0.000 1.175 257 A CA 1.452 53.587 52.037 0.162 0.000 0.628 257 A CB -0.715 18.392 19.000 0.178 0.000 0.814 257 A HN 0.296 nan 8.150 nan 0.000 0.444 258 R N -0.004 120.597 120.500 0.169 0.000 2.073 258 R HA -0.150 4.373 4.340 0.305 0.000 0.234 258 R C 2.135 178.492 176.300 0.095 0.000 1.134 258 R CA 1.934 58.124 56.100 0.150 0.000 0.952 258 R CB -0.602 29.840 30.300 0.237 0.000 0.850 258 R HN 0.780 nan 8.270 nan 0.000 0.433 259 E N 0.337 120.597 120.200 0.100 0.000 2.118 259 E HA -0.172 4.361 4.350 0.305 0.000 0.195 259 E C 2.066 178.659 176.600 -0.012 0.000 0.992 259 E CA 1.065 57.508 56.400 0.072 0.000 0.804 259 E CB -0.095 29.701 29.700 0.160 0.000 0.741 259 E HN 0.327 nan 8.360 nan 0.000 0.458 260 L N -0.443 120.699 121.223 -0.136 0.000 2.362 260 L HA -0.012 4.511 4.340 0.305 0.000 0.219 260 L C 1.662 178.572 176.870 0.066 0.000 1.134 260 L CA 0.676 55.453 54.840 -0.106 0.000 0.807 260 L CB -0.256 41.656 42.059 -0.245 0.000 0.927 260 L HN 0.488 nan 8.230 nan 0.000 0.447 261 G N 0.273 109.111 108.800 0.063 0.000 2.143 261 G HA2 -0.268 3.875 3.960 0.305 0.000 0.248 261 G HA3 -0.268 3.875 3.960 0.305 0.000 0.248 261 G C 0.429 175.417 174.900 0.146 0.000 0.991 261 G CA 0.283 45.448 45.100 0.109 0.000 0.689 261 G HN 0.285 nan 8.290 nan 0.000 0.522 262 V N -2.071 117.894 119.914 0.085 0.000 3.185 262 V HA 0.640 4.944 4.120 0.305 0.000 0.305 262 V C 0.141 176.262 176.094 0.045 0.000 1.090 262 V CA -0.551 61.770 62.300 0.035 0.000 1.107 262 V CB 1.039 32.828 31.823 -0.056 0.000 1.061 262 V HN 0.111 nan 8.190 nan 0.000 0.480 263 P HA 0.290 nan 4.420 nan 0.000 0.234 263 P C 0.141 177.449 177.300 0.013 0.000 1.175 263 P CA 0.670 63.796 63.100 0.043 0.000 0.801 263 P CB 0.710 32.461 31.700 0.085 0.000 0.891 264 I N 0.122 120.697 120.570 0.008 0.000 2.827 264 I HA 0.352 4.705 4.170 0.305 0.000 0.298 264 I C -1.339 174.747 176.117 -0.052 0.000 1.235 264 I CA -1.313 59.955 61.300 -0.053 0.000 1.021 264 I CB 2.608 40.531 38.000 -0.129 0.000 1.259 264 I HN -0.293 nan 8.210 nan 0.000 0.427 265 V N 4.160 124.031 119.914 -0.072 0.000 3.074 265 V HA 0.721 5.024 4.120 0.305 0.000 0.314 265 V C -0.534 175.532 176.094 -0.048 0.000 1.117 265 V CA -0.819 61.458 62.300 -0.037 0.000 1.014 265 V CB 1.785 33.622 31.823 0.023 0.000 1.057 265 V HN 0.902 nan 8.190 nan 0.000 0.438 266 M N 1.314 120.937 119.600 0.038 0.000 2.658 266 M HA 0.844 5.507 4.480 0.305 0.000 0.295 266 M C -1.205 175.204 176.300 0.181 0.000 1.248 266 M CA -0.462 54.900 55.300 0.102 0.000 0.843 266 M CB 2.329 35.058 32.600 0.214 0.000 1.749 266 M HN 0.997 nan 8.290 nan 0.000 0.464 267 H N -0.393 118.704 119.070 0.046 0.000 2.974 267 H HA 0.449 5.189 4.556 0.305 0.000 0.366 267 H C -2.015 173.357 175.328 0.074 0.000 1.155 267 H CA -0.521 55.551 56.048 0.039 0.000 1.186 267 H CB 1.819 31.587 29.762 0.010 0.000 1.799 267 H HN 0.774 nan 8.280 nan 0.000 0.541 268 D N 4.758 124.890 120.400 -0.447 0.000 2.468 268 D HA 0.007 4.830 4.640 0.305 0.000 0.218 268 D C 0.785 176.770 176.300 -0.524 0.000 1.155 268 D CA -0.180 53.649 54.000 -0.285 0.000 0.924 268 D CB -0.114 40.561 40.800 -0.208 0.000 1.029 268 D HN 0.598 nan 8.370 nan 0.000 0.515 269 Y N 1.387 121.416 120.300 -0.452 0.000 2.333 269 Y HA -0.116 4.617 4.550 0.305 0.000 0.290 269 Y C 1.285 176.915 175.900 -0.451 0.000 1.144 269 Y CA 1.033 58.897 58.100 -0.394 0.000 1.228 269 Y CB -0.532 37.782 38.460 -0.244 0.000 0.985 269 Y HN 0.257 nan 8.280 nan 0.000 0.542 270 L N 0.347 121.099 121.223 -0.785 0.000 2.127 270 L HA -0.063 4.460 4.340 0.305 0.000 0.203 270 L C 2.653 179.300 176.870 -0.372 0.000 1.080 270 L CA 1.559 55.967 54.840 -0.719 0.000 0.768 270 L CB -0.794 40.893 42.059 -0.620 0.000 0.924 270 L HN 0.419 nan 8.230 nan 0.000 0.444 271 T N -3.500 110.890 114.554 -0.274 0.000 2.942 271 T HA -0.015 4.518 4.350 0.305 0.000 0.265 271 T C 1.871 176.479 174.700 -0.153 0.000 1.062 271 T CA 0.841 62.835 62.100 -0.177 0.000 1.139 271 T CB -0.506 68.282 68.868 -0.134 0.000 0.883 271 T HN 0.324 nan 8.240 nan 0.000 0.468 272 G N 1.312 109.988 108.800 -0.207 0.000 2.396 272 G HA2 0.436 4.579 3.960 0.305 0.000 0.214 272 G HA3 0.436 4.579 3.960 0.305 0.000 0.214 272 G C 0.860 175.747 174.900 -0.023 0.000 1.166 272 G CA 0.195 45.249 45.100 -0.076 0.000 0.793 272 G HN 1.226 nan 8.290 nan 0.000 0.533 273 G N -1.871 106.858 108.800 -0.120 0.000 2.587 273 G HA2 -0.031 4.112 3.960 0.305 0.000 0.686 273 G HA3 -0.031 4.112 3.960 0.305 0.000 0.686 273 G C 0.132 175.001 174.900 -0.051 0.000 1.236 273 G CA -0.195 44.843 45.100 -0.103 0.000 0.820 273 G HN 0.079 nan 8.290 nan 0.000 0.645 274 F N 0.624 120.632 119.950 0.096 0.000 2.186 274 F HA -0.008 4.702 4.527 0.305 0.000 0.299 274 F C 3.113 178.959 175.800 0.077 0.000 1.090 274 F CA 2.300 60.372 58.000 0.119 0.000 1.307 274 F CB -0.496 38.572 39.000 0.114 0.000 1.019 274 F HN 0.557 nan 8.300 nan 0.000 0.489 275 T N -0.242 114.445 114.554 0.223 0.000 2.708 275 T HA -0.189 4.344 4.350 0.305 0.000 0.266 275 T C 2.295 177.026 174.700 0.052 0.000 1.037 275 T CA 1.427 63.594 62.100 0.113 0.000 1.146 275 T CB -0.656 68.261 68.868 0.083 0.000 0.865 275 T HN 0.288 nan 8.240 nan 0.000 0.435 276 A N 1.800 124.653 122.820 0.055 0.000 1.929 276 A HA -0.090 4.413 4.320 0.305 0.000 0.216 276 A C 2.249 179.800 177.584 -0.056 0.000 1.176 276 A CA 1.418 53.453 52.037 -0.005 0.000 0.628 276 A CB -0.737 18.281 19.000 0.029 0.000 0.816 276 A HN 0.554 nan 8.150 nan 0.000 0.444 277 N N -0.326 118.416 118.700 0.070 0.000 2.120 277 N HA -0.147 4.776 4.740 0.305 0.000 0.188 277 N C 1.523 177.032 175.510 -0.002 0.000 1.024 277 N CA 1.992 55.084 53.050 0.070 0.000 0.852 277 N CB -0.126 38.512 38.487 0.251 0.000 1.003 277 N HN 0.416 nan 8.380 nan 0.000 0.424 278 T N -0.249 114.308 114.554 0.005 0.000 2.788 278 T HA -0.075 4.458 4.350 0.305 0.000 0.268 278 T C 1.832 176.319 174.700 -0.355 0.000 1.044 278 T CA 1.499 63.511 62.100 -0.147 0.000 1.139 278 T CB -0.503 68.292 68.868 -0.121 0.000 0.867 278 T HN 0.300 nan 8.240 nan 0.000 0.454 279 T N 2.195 116.623 114.554 -0.211 0.000 2.708 279 T HA -0.020 4.513 4.350 0.305 0.000 0.266 279 T C 1.884 176.549 174.700 -0.058 0.000 1.037 279 T CA 0.849 62.859 62.100 -0.150 0.000 1.146 279 T CB -0.439 68.372 68.868 -0.095 0.000 0.865 279 T HN 0.119 nan 8.240 nan 0.000 0.435 280 L N 1.121 122.286 121.223 -0.098 0.000 2.046 280 L HA -0.002 4.521 4.340 0.305 0.000 0.208 280 L C 2.633 179.537 176.870 0.056 0.000 1.077 280 L CA 1.889 56.695 54.840 -0.057 0.000 0.747 280 L CB -1.071 40.847 42.059 -0.235 0.000 0.896 280 L HN 0.206 nan 8.230 nan 0.000 0.432 281 S N -1.425 114.291 115.700 0.027 0.000 2.374 281 S HA -0.272 4.381 4.470 0.305 0.000 0.227 281 S C 2.082 176.796 174.600 0.190 0.000 1.037 281 S CA 1.590 59.842 58.200 0.087 0.000 1.024 281 S CB -0.441 62.816 63.200 0.095 0.000 0.861 281 S HN 0.691 nan 8.310 nan 0.000 0.456 282 H N -0.912 118.171 119.070 0.022 0.000 2.389 282 H HA 0.025 4.764 4.556 0.305 0.000 0.299 282 H C 1.735 177.078 175.328 0.025 0.000 1.081 282 H CA 1.516 57.572 56.048 0.013 0.000 1.345 282 H CB -0.982 28.796 29.762 0.027 0.000 1.393 282 H HN 0.656 nan 8.280 nan 0.000 0.520 283 Y N 0.318 120.676 120.300 0.096 0.000 2.242 283 Y HA -0.207 4.526 4.550 0.305 0.000 0.291 283 Y C 2.356 178.276 175.900 0.033 0.000 1.137 283 Y CA 1.126 59.253 58.100 0.046 0.000 1.181 283 Y CB -0.521 37.951 38.460 0.020 0.000 0.989 283 Y HN 0.143 nan 8.280 nan 0.000 0.527 284 C N 0.227 119.584 119.300 0.095 0.000 2.440 284 C HA -0.112 4.531 4.460 0.305 0.000 0.278 284 C C 2.750 177.708 174.990 -0.054 0.000 1.295 284 C CA 1.385 60.424 59.018 0.036 0.000 1.738 284 C CB -1.152 26.636 27.740 0.079 0.000 1.987 284 C HN 0.577 nan 8.230 nan 0.000 0.492 285 R N 1.843 122.271 120.500 -0.119 0.000 2.066 285 R HA -0.082 4.441 4.340 0.305 0.000 0.232 285 R C 1.539 177.757 176.300 -0.136 0.000 1.131 285 R CA 1.966 57.940 56.100 -0.210 0.000 0.955 285 R CB -0.919 29.263 30.300 -0.197 0.000 0.851 285 R HN 0.418 nan 8.270 nan 0.000 0.432 286 D N -0.148 120.159 120.400 -0.154 0.000 2.264 286 D HA -0.067 4.756 4.640 0.305 0.000 0.208 286 D C 0.384 176.565 176.300 -0.198 0.000 0.966 286 D CA 0.900 54.801 54.000 -0.164 0.000 0.864 286 D CB -0.013 40.686 40.800 -0.168 0.000 0.933 286 D HN 0.361 nan 8.370 nan 0.000 0.499 287 N N -0.618 117.923 118.700 -0.264 0.000 2.200 287 N HA 0.123 5.046 4.740 0.305 0.000 0.224 287 N C 0.837 176.310 175.510 -0.062 0.000 1.179 287 N CA 0.274 53.189 53.050 -0.226 0.000 0.877 287 N CB 1.810 40.013 38.487 -0.472 0.000 1.072 287 N HN 0.057 nan 8.380 nan 0.000 0.519 288 G N 1.566 110.391 108.800 0.042 0.000 2.198 288 G HA2 -0.276 3.867 3.960 0.305 0.000 0.260 288 G HA3 -0.276 3.867 3.960 0.305 0.000 0.260 288 G C -0.116 174.824 174.900 0.065 0.000 1.025 288 G CA 0.166 45.333 45.100 0.113 0.000 0.769 288 G HN 0.268 nan 8.290 nan 0.000 0.507 289 L N 0.060 121.374 121.223 0.152 0.000 2.289 289 L HA 0.536 5.059 4.340 0.305 0.000 0.285 289 L C 1.097 178.050 176.870 0.138 0.000 1.049 289 L CA -1.010 53.887 54.840 0.096 0.000 0.804 289 L CB 1.253 43.375 42.059 0.105 0.000 1.195 289 L HN 0.058 nan 8.230 nan 0.000 0.428 290 L N 3.912 125.135 121.223 -0.001 0.000 2.439 290 L HA 0.219 4.742 4.340 0.305 0.000 0.269 290 L C -0.369 176.441 176.870 -0.100 0.000 1.179 290 L CA -0.236 54.587 54.840 -0.029 0.000 0.828 290 L CB 0.926 42.892 42.059 -0.154 0.000 1.106 290 L HN 0.396 nan 8.230 nan 0.000 0.467 291 L N 2.958 124.095 121.223 -0.144 0.000 2.342 291 L HA 0.354 4.877 4.340 0.305 0.000 0.276 291 L C -0.544 176.136 176.870 -0.317 0.000 0.997 291 L CA -0.241 54.496 54.840 -0.171 0.000 0.838 291 L CB 1.082 43.098 42.059 -0.073 0.000 1.224 291 L HN 0.474 nan 8.230 nan 0.000 0.416 292 H N 5.402 124.170 119.070 -0.502 0.000 2.527 292 H HA 0.585 5.325 4.556 0.306 0.000 0.321 292 H C -0.930 174.265 175.328 -0.220 0.000 1.087 292 H CA -0.499 55.208 56.048 -0.568 0.000 1.337 292 H CB 0.824 29.970 29.762 -1.028 0.000 1.440 292 H HN 0.514 nan 8.280 nan 0.000 0.490 293 I N 5.705 125.869 120.570 -0.677 0.000 2.378 293 I HA 0.123 4.476 4.170 0.305 0.000 0.291 293 I C -0.010 175.895 176.117 -0.353 0.000 0.992 293 I CA -0.434 60.630 61.300 -0.393 0.000 1.154 293 I CB 0.922 38.694 38.000 -0.381 0.000 1.315 293 I HN 0.735 nan 8.210 nan 0.000 0.448 294 H N 7.459 126.430 119.070 -0.166 0.000 2.467 294 H HA 0.315 5.054 4.556 0.305 0.000 0.326 294 H C 0.305 175.611 175.328 -0.035 0.000 1.094 294 H CA -0.507 55.452 56.048 -0.148 0.000 1.253 294 H CB 1.403 31.116 29.762 -0.081 0.000 1.439 294 H HN 0.578 nan 8.280 nan 0.000 0.479 295 R N 3.282 123.595 120.500 -0.312 0.000 2.752 295 R HA 0.387 4.910 4.340 0.305 0.000 0.279 295 R C 0.116 176.459 176.300 0.072 0.000 1.212 295 R CA -0.432 55.685 56.100 0.027 0.000 1.169 295 R CB -0.189 30.081 30.300 -0.049 0.000 1.286 295 R HN 0.355 nan 8.270 nan 0.000 0.564 296 A N 1.589 124.547 122.820 0.230 0.000 2.584 296 A HA 0.070 4.573 4.320 0.305 0.000 0.239 296 A C 0.978 178.583 177.584 0.036 0.000 1.043 296 A CA 0.839 52.998 52.037 0.205 0.000 0.756 296 A CB -0.128 18.968 19.000 0.160 0.000 0.963 296 A HN 0.891 nan 8.150 nan 0.000 0.511 297 M N 0.603 120.196 119.600 -0.012 0.000 2.995 297 M HA -0.307 4.357 4.480 0.305 0.000 0.207 297 M C 0.994 177.225 176.300 -0.115 0.000 0.593 297 M CA 2.001 57.249 55.300 -0.087 0.000 0.791 297 M CB -2.138 30.404 32.600 -0.097 0.000 2.827 297 M HN 1.277 nan 8.290 nan 0.000 0.293 298 H N -0.372 118.640 119.070 -0.096 0.000 2.353 298 H HA 0.158 4.897 4.556 0.305 0.000 0.298 298 H C 1.741 177.028 175.328 -0.068 0.000 1.103 298 H CA 2.220 58.230 56.048 -0.063 0.000 1.293 298 H CB -0.676 29.085 29.762 -0.002 0.000 1.372 298 H HN 0.525 nan 8.280 nan 0.000 0.501 299 A N 1.053 123.340 122.820 -0.889 0.000 2.121 299 A HA -0.002 4.501 4.320 0.305 0.000 0.218 299 A C 2.483 179.914 177.584 -0.255 0.000 1.154 299 A CA 1.088 52.788 52.037 -0.561 0.000 0.679 299 A CB -0.687 17.956 19.000 -0.593 0.000 0.795 299 A HN 0.372 nan 8.150 nan 0.000 0.458 300 V N -0.235 119.555 119.914 -0.207 0.000 2.515 300 V HA -0.216 4.087 4.120 0.305 0.000 0.250 300 V C 2.227 178.267 176.094 -0.091 0.000 1.058 300 V CA 1.990 64.215 62.300 -0.126 0.000 1.064 300 V CB -0.456 31.302 31.823 -0.109 0.000 0.675 300 V HN 0.613 nan 8.190 nan 0.000 0.461 301 I N 0.669 121.181 120.570 -0.097 0.000 2.810 301 I HA -0.029 4.324 4.170 0.305 0.000 0.262 301 I C 1.794 177.882 176.117 -0.048 0.000 1.131 301 I CA 1.155 62.410 61.300 -0.076 0.000 1.453 301 I CB -0.187 37.753 38.000 -0.099 0.000 1.161 301 I HN 0.451 nan 8.210 nan 0.000 0.444 302 D N -0.079 120.295 120.400 -0.043 0.000 2.369 302 D HA -0.062 4.762 4.640 0.305 0.000 0.211 302 D C 1.835 178.114 176.300 -0.035 0.000 1.077 302 D CA 0.025 54.007 54.000 -0.030 0.000 0.842 302 D CB -0.021 40.785 40.800 0.009 0.000 0.947 302 D HN -0.013 nan 8.370 nan 0.000 0.509 303 R N 0.218 120.694 120.500 -0.040 0.000 2.062 303 R HA 0.014 4.537 4.340 0.305 0.000 0.229 303 R C 0.426 176.739 176.300 0.023 0.000 1.128 303 R CA 1.071 57.156 56.100 -0.024 0.000 0.960 303 R CB -0.115 30.152 30.300 -0.054 0.000 0.855 303 R HN 0.060 nan 8.270 nan 0.000 0.432 304 Q N 0.737 120.560 119.800 0.039 0.000 2.288 304 Q HA 0.029 4.552 4.340 0.305 0.000 0.254 304 Q C 0.154 176.214 176.000 0.100 0.000 0.932 304 Q CA 0.096 55.940 55.803 0.067 0.000 0.902 304 Q CB 1.541 30.321 28.738 0.069 0.000 1.203 304 Q HN 0.179 nan 8.270 nan 0.000 0.415 305 K N 2.544 123.006 120.400 0.103 0.000 2.211 305 K HA -0.155 4.349 4.320 0.305 0.000 0.203 305 K C 1.174 177.842 176.600 0.114 0.000 1.050 305 K CA 1.509 57.867 56.287 0.118 0.000 0.945 305 K CB 0.323 32.885 32.500 0.103 0.000 0.732 305 K HN 0.574 nan 8.250 nan 0.000 0.451 306 N N -0.907 117.863 118.700 0.116 0.000 2.405 306 N HA -0.098 4.826 4.740 0.305 0.000 0.175 306 N C -0.265 175.364 175.510 0.198 0.000 1.051 306 N CA 0.603 53.730 53.050 0.128 0.000 0.899 306 N CB 0.048 38.600 38.487 0.109 0.000 1.000 306 N HN 0.253 nan 8.380 nan 0.000 0.451 307 H N -1.444 117.687 119.070 0.102 0.000 2.974 307 H HA 0.570 5.309 4.556 0.305 0.000 0.366 307 H C 0.095 175.507 175.328 0.140 0.000 1.155 307 H CA 0.312 56.451 56.048 0.151 0.000 1.186 307 H CB 1.560 31.398 29.762 0.127 0.000 1.799 307 H HN 0.331 nan 8.280 nan 0.000 0.541 308 G N 2.315 111.116 108.800 0.002 0.000 2.295 308 G HA2 -0.025 4.118 3.960 0.305 0.000 0.195 308 G HA3 -0.025 4.118 3.960 0.305 0.000 0.195 308 G C -1.449 173.431 174.900 -0.034 0.000 1.269 308 G CA -0.371 44.717 45.100 -0.021 0.000 1.170 308 G HN 0.644 nan 8.290 nan 0.000 0.511 309 M N 0.826 120.386 119.600 -0.067 0.000 2.326 309 M HA 0.373 5.036 4.480 0.305 0.000 0.292 309 M C -0.305 175.995 176.300 0.001 0.000 1.081 309 M CA -0.799 54.463 55.300 -0.064 0.000 0.919 309 M CB 2.321 34.799 32.600 -0.203 0.000 1.634 309 M HN 0.757 nan 8.290 nan 0.000 0.451 310 H N 1.940 121.005 119.070 -0.007 0.000 2.690 310 H HA 0.061 4.800 4.556 0.305 0.000 0.365 310 H C 0.166 175.521 175.328 0.045 0.000 1.142 310 H CA 0.764 56.846 56.048 0.056 0.000 1.417 310 H CB 0.879 30.686 29.762 0.074 0.000 1.446 310 H HN 0.779 nan 8.280 nan 0.000 0.599 311 F N 4.839 124.492 119.950 -0.494 0.000 2.202 311 F HA -0.212 4.499 4.527 0.306 0.000 0.301 311 F C 2.632 178.351 175.800 -0.136 0.000 1.082 311 F CA 1.747 59.567 58.000 -0.301 0.000 1.313 311 F CB -0.118 38.581 39.000 -0.502 0.000 1.024 311 F HN 0.680 nan 8.300 nan 0.000 0.495 312 R N -0.302 120.239 120.500 0.068 0.000 2.159 312 R HA -0.124 4.399 4.340 0.305 0.000 0.237 312 R C 1.748 178.001 176.300 -0.079 0.000 1.131 312 R CA 1.884 57.976 56.100 -0.013 0.000 0.982 312 R CB -1.395 29.081 30.300 0.294 0.000 0.868 312 R HN 0.304 nan 8.270 nan 0.000 0.453 313 V N 1.882 121.783 119.914 -0.022 0.000 2.323 313 V HA -0.163 4.140 4.120 0.305 0.000 0.244 313 V C 2.489 178.600 176.094 0.028 0.000 1.041 313 V CA 1.494 63.811 62.300 0.028 0.000 1.025 313 V CB -0.409 31.434 31.823 0.034 0.000 0.656 313 V HN 0.271 nan 8.190 nan 0.000 0.451 314 L N 0.171 121.329 121.223 -0.108 0.000 2.191 314 L HA -0.134 4.389 4.340 0.305 0.000 0.212 314 L C 2.664 179.441 176.870 -0.155 0.000 1.103 314 L CA 1.361 56.199 54.840 -0.003 0.000 0.769 314 L CB -0.753 41.277 42.059 -0.048 0.000 0.908 314 L HN 0.372 nan 8.230 nan 0.000 0.438 315 A N 0.128 122.572 122.820 -0.625 0.000 1.897 315 A HA -0.163 4.340 4.320 0.305 0.000 0.215 315 A C 2.352 179.839 177.584 -0.163 0.000 1.181 315 A CA 1.273 52.995 52.037 -0.525 0.000 0.620 315 A CB -0.230 18.370 19.000 -0.668 0.000 0.821 315 A HN 0.261 nan 8.150 nan 0.000 0.443 316 K N -0.226 120.151 120.400 -0.039 0.000 2.057 316 K HA -0.066 4.437 4.320 0.305 0.000 0.207 316 K C 2.304 178.929 176.600 0.043 0.000 1.049 316 K CA 1.093 57.461 56.287 0.135 0.000 0.931 316 K CB -0.333 32.282 32.500 0.191 0.000 0.714 316 K HN 0.425 nan 8.250 nan 0.000 0.440 317 A N 1.916 124.740 122.820 0.006 0.000 1.940 317 A HA -0.166 4.337 4.320 0.305 0.000 0.219 317 A C 2.046 179.646 177.584 0.026 0.000 1.176 317 A CA 1.114 53.094 52.037 -0.095 0.000 0.631 317 A CB -0.538 18.436 19.000 -0.043 0.000 0.814 317 A HN 0.249 nan 8.150 nan 0.000 0.446 318 L N -0.422 120.851 121.223 0.084 0.000 2.056 318 L HA -0.102 4.422 4.340 0.305 0.000 0.207 318 L C 2.471 179.260 176.870 -0.135 0.000 1.078 318 L CA 2.284 57.082 54.840 -0.069 0.000 0.749 318 L CB -0.841 40.975 42.059 -0.405 0.000 0.901 318 L HN 0.545 nan 8.230 nan 0.000 0.433 319 R N -0.397 120.001 120.500 -0.171 0.000 2.127 319 R HA -0.169 4.354 4.340 0.305 0.000 0.238 319 R C 2.325 178.522 176.300 -0.171 0.000 1.134 319 R CA 1.348 57.305 56.100 -0.238 0.000 0.975 319 R CB -0.064 29.958 30.300 -0.464 0.000 0.865 319 R HN 0.416 nan 8.270 nan 0.000 0.447 320 L N -0.906 120.212 121.223 -0.177 0.000 2.034 320 L HA -0.085 4.439 4.340 0.305 0.000 0.203 320 L C 2.591 179.386 176.870 -0.124 0.000 1.074 320 L CA 1.297 55.941 54.840 -0.327 0.000 0.748 320 L CB -0.680 40.837 42.059 -0.902 0.000 0.905 320 L HN 0.227 nan 8.230 nan 0.000 0.439 321 S N -0.702 114.967 115.700 -0.051 0.000 2.359 321 S HA -0.034 4.620 4.470 0.305 0.000 0.223 321 S C 0.846 175.511 174.600 0.108 0.000 1.039 321 S CA 1.281 59.558 58.200 0.128 0.000 1.042 321 S CB -0.317 63.044 63.200 0.268 0.000 0.915 321 S HN 0.622 nan 8.310 nan 0.000 0.439 322 G N -1.743 107.073 108.800 0.027 0.000 2.760 322 G HA2 0.443 4.586 3.960 0.305 0.000 0.540 322 G HA3 0.443 4.586 3.960 0.305 0.000 0.540 322 G C -0.353 174.511 174.900 -0.060 0.000 1.476 322 G CA -0.397 44.701 45.100 -0.003 0.000 0.949 322 G HN 1.113 nan 8.290 nan 0.000 0.633 323 G N 0.669 109.410 108.800 -0.099 0.000 2.658 323 G HA2 0.568 4.711 3.960 0.305 0.000 0.301 323 G HA3 0.568 4.711 3.960 0.305 0.000 0.301 323 G C -0.139 174.689 174.900 -0.120 0.000 1.481 323 G CA 0.200 45.218 45.100 -0.136 0.000 0.931 323 G HN 0.366 nan 8.290 nan 0.000 0.573 324 D N -0.089 120.237 120.400 -0.124 0.000 2.249 324 D HA 0.074 4.897 4.640 0.305 0.000 0.205 324 D C 0.506 176.855 176.300 0.082 0.000 0.962 324 D CA 1.159 55.126 54.000 -0.055 0.000 0.860 324 D CB 0.339 41.088 40.800 -0.086 0.000 0.955 324 D HN 0.611 nan 8.370 nan 0.000 0.505 325 H N -1.043 117.917 119.070 -0.183 0.000 2.865 325 H HA 0.646 5.386 4.556 0.306 0.000 0.372 325 H C -0.771 174.379 175.328 -0.298 0.000 1.173 325 H CA -0.892 55.033 56.048 -0.204 0.000 1.147 325 H CB 3.157 32.810 29.762 -0.182 0.000 1.805 325 H HN -0.164 nan 8.280 nan 0.000 0.553 326 I N 1.198 121.707 120.570 -0.103 0.000 2.743 326 I HA 0.129 4.482 4.170 0.305 0.000 0.292 326 I C -0.779 175.303 176.117 -0.058 0.000 1.343 326 I CA -0.514 60.705 61.300 -0.135 0.000 1.038 326 I CB 1.919 39.849 38.000 -0.117 0.000 1.311 326 I HN 0.690 nan 8.210 nan 0.000 0.426 327 H N 4.787 123.732 119.070 -0.209 0.000 2.815 327 H HA 0.134 4.873 4.556 0.306 0.000 0.350 327 H C 0.487 175.699 175.328 -0.195 0.000 1.080 327 H CA 0.691 56.612 56.048 -0.211 0.000 1.433 327 H CB 1.153 30.725 29.762 -0.317 0.000 1.432 327 H HN 0.655 nan 8.280 nan 0.000 0.592 328 S N 1.456 117.137 115.700 -0.031 0.000 2.733 328 S HA 0.326 4.979 4.470 0.305 0.000 0.247 328 S C 0.880 175.574 174.600 0.156 0.000 1.043 328 S CA 0.074 58.366 58.200 0.154 0.000 1.066 328 S CB 1.137 64.574 63.200 0.394 0.000 1.045 328 S HN 1.093 nan 8.310 nan 0.000 0.586 329 G N 1.180 109.978 108.800 -0.004 0.000 2.661 329 G HA2 -0.013 4.130 3.960 0.305 0.000 0.685 329 G HA3 -0.013 4.130 3.960 0.305 0.000 0.685 329 G C 0.217 175.174 174.900 0.094 0.000 1.298 329 G CA 0.190 45.310 45.100 0.034 0.000 0.855 329 G HN 0.982 nan 8.290 nan 0.000 0.560 330 T N -3.415 111.181 114.554 0.069 0.000 2.958 330 T HA 0.472 5.005 4.350 0.305 0.000 0.256 330 T C 1.771 176.538 174.700 0.112 0.000 0.983 330 T CA 1.373 63.527 62.100 0.091 0.000 0.924 330 T CB 0.510 69.330 68.868 -0.081 0.000 1.136 330 T HN 2.283 nan 8.240 nan 0.000 0.506 331 V N 0.764 120.712 119.914 0.057 0.000 0.473 331 V HA -0.327 3.976 4.120 0.305 0.000 0.092 331 V C 2.009 178.101 176.094 -0.003 0.000 2.433 331 V CA 1.963 64.275 62.300 0.020 0.000 3.661 331 V CB -1.872 29.942 31.823 -0.015 0.000 0.941 331 V HN 0.749 nan 8.190 nan 0.000 0.987 332 V N -1.024 118.855 119.914 -0.058 0.000 3.647 332 V HA 0.673 4.976 4.120 0.305 0.000 0.279 332 V C 1.265 177.260 176.094 -0.164 0.000 1.314 332 V CA 1.308 63.539 62.300 -0.115 0.000 1.125 332 V CB -0.063 31.619 31.823 -0.234 0.000 0.907 332 V HN 0.898 nan 8.190 nan 0.000 0.434 333 G N 1.480 110.171 108.800 -0.183 0.000 2.531 333 G HA2 0.247 4.390 3.960 0.305 0.000 0.253 333 G HA3 0.247 4.390 3.960 0.305 0.000 0.253 333 G C 0.765 175.397 174.900 -0.446 0.000 1.439 333 G CA 0.061 44.999 45.100 -0.270 0.000 1.056 333 G HN 0.519 nan 8.290 nan 0.000 0.555 334 K N -1.257 118.669 120.400 -0.789 0.000 2.366 334 K HA 0.152 4.655 4.320 0.305 0.000 0.198 334 K C 0.420 176.837 176.600 -0.305 0.000 1.044 334 K CA 0.430 56.213 56.287 -0.839 0.000 0.973 334 K CB -0.207 31.789 32.500 -0.840 0.000 0.767 334 K HN 0.213 nan 8.250 nan 0.000 0.475 335 L N 1.795 122.897 121.223 -0.202 0.000 2.334 335 L HA 0.306 4.829 4.340 0.305 0.000 0.272 335 L C 0.084 176.929 176.870 -0.043 0.000 1.020 335 L CA -1.081 53.697 54.840 -0.103 0.000 0.812 335 L CB 1.713 43.726 42.059 -0.078 0.000 1.264 335 L HN 0.127 nan 8.230 nan 0.000 0.439 336 E N 0.769 120.960 120.200 -0.015 0.000 2.398 336 E HA 0.420 4.953 4.350 0.305 0.000 0.263 336 E C -0.337 176.295 176.600 0.053 0.000 1.046 336 E CA 0.083 56.500 56.400 0.028 0.000 0.908 336 E CB 0.796 30.513 29.700 0.027 0.000 0.963 336 E HN 0.751 nan 8.360 nan 0.000 0.431 337 G N 3.714 112.559 108.800 0.075 0.000 1.824 337 G HA2 0.023 4.166 3.960 0.305 0.000 0.294 337 G HA3 0.023 4.166 3.960 0.305 0.000 0.294 337 G C -1.220 173.726 174.900 0.077 0.000 1.796 337 G CA -0.755 44.406 45.100 0.102 0.000 0.919 337 G HN 0.378 nan 8.290 nan 0.000 0.595 338 E N 1.640 121.893 120.200 0.089 0.000 2.331 338 E HA 0.210 4.744 4.350 0.305 0.000 0.272 338 E C 1.415 178.010 176.600 -0.009 0.000 1.036 338 E CA -0.649 55.780 56.400 0.049 0.000 0.864 338 E CB 2.093 31.834 29.700 0.068 0.000 1.035 338 E HN 0.649 nan 8.360 nan 0.000 0.408 339 R N 2.354 122.831 120.500 -0.039 0.000 2.115 339 R HA -0.211 4.312 4.340 0.305 0.000 0.239 339 R C 0.918 177.142 176.300 -0.127 0.000 1.133 339 R CA 2.061 58.100 56.100 -0.100 0.000 0.935 339 R CB 0.083 30.332 30.300 -0.085 0.000 0.853 339 R HN 0.449 nan 8.270 nan 0.000 0.433 340 D N 0.208 120.560 120.400 -0.079 0.000 2.117 340 D HA -0.152 4.671 4.640 0.305 0.000 0.197 340 D C 1.977 178.222 176.300 -0.092 0.000 0.987 340 D CA 1.335 55.287 54.000 -0.080 0.000 0.829 340 D CB -0.187 40.586 40.800 -0.046 0.000 0.961 340 D HN 0.366 nan 8.370 nan 0.000 0.460 341 I N 0.852 121.392 120.570 -0.049 0.000 2.179 341 I HA -0.235 4.118 4.170 0.305 0.000 0.242 341 I C 2.300 178.273 176.117 -0.240 0.000 1.088 341 I CA 1.066 62.367 61.300 0.002 0.000 1.357 341 I CB -0.411 37.703 38.000 0.191 0.000 1.051 341 I HN -0.022 nan 8.210 nan 0.000 0.409 342 T N 1.486 115.792 114.554 -0.413 0.000 2.708 342 T HA -0.144 4.389 4.350 0.305 0.000 0.266 342 T C 1.967 176.187 174.700 -0.799 0.000 1.037 342 T CA 1.287 62.812 62.100 -0.958 0.000 1.146 342 T CB -0.393 68.201 68.868 -0.458 0.000 0.865 342 T HN 0.237 nan 8.240 nan 0.000 0.435 343 L N 0.695 121.661 121.223 -0.427 0.000 2.127 343 L HA -0.044 4.479 4.340 0.305 0.000 0.211 343 L C 2.920 179.673 176.870 -0.195 0.000 1.089 343 L CA 1.199 55.868 54.840 -0.285 0.000 0.757 343 L CB -0.967 40.968 42.059 -0.207 0.000 0.899 343 L HN 0.368 nan 8.230 nan 0.000 0.434 344 G N 1.044 109.735 108.800 -0.183 0.000 2.453 344 G HA2 -0.317 3.826 3.960 0.305 0.000 0.215 344 G HA3 -0.317 3.826 3.960 0.305 0.000 0.215 344 G C 1.294 176.233 174.900 0.065 0.000 1.201 344 G CA 0.992 46.067 45.100 -0.042 0.000 0.784 344 G HN 0.475 nan 8.290 nan 0.000 0.545 345 F N 0.692 120.720 119.950 0.130 0.000 2.407 345 F HA 0.198 4.908 4.527 0.305 0.000 0.299 345 F C 2.186 178.070 175.800 0.138 0.000 1.097 345 F CA 0.142 58.236 58.000 0.158 0.000 1.422 345 F CB -0.876 38.263 39.000 0.232 0.000 1.067 345 F HN 0.001 nan 8.300 nan 0.000 0.539 346 V N 1.203 121.200 119.914 0.138 0.000 2.427 346 V HA -0.236 4.067 4.120 0.305 0.000 0.248 346 V C 2.086 178.251 176.094 0.119 0.000 1.051 346 V CA 2.248 64.647 62.300 0.164 0.000 1.048 346 V CB -0.662 31.192 31.823 0.052 0.000 0.666 346 V HN 0.240 nan 8.190 nan 0.000 0.456 347 D N 0.050 120.500 120.400 0.083 0.000 2.144 347 D HA -0.088 4.736 4.640 0.305 0.000 0.200 347 D C 2.078 178.453 176.300 0.124 0.000 0.978 347 D CA 1.085 55.136 54.000 0.085 0.000 0.833 347 D CB -0.185 40.657 40.800 0.069 0.000 0.961 347 D HN 0.340 nan 8.370 nan 0.000 0.470 348 L N -0.007 121.325 121.223 0.182 0.000 2.201 348 L HA -0.072 4.451 4.340 0.305 0.000 0.212 348 L C 2.298 179.210 176.870 0.071 0.000 1.105 348 L CA 0.459 55.454 54.840 0.259 0.000 0.775 348 L CB -0.136 42.116 42.059 0.322 0.000 0.913 348 L HN 0.034 nan 8.230 nan 0.000 0.440 349 L N -1.093 120.148 121.223 0.030 0.000 2.209 349 L HA -0.033 4.490 4.340 0.305 0.000 0.207 349 L C 2.618 179.384 176.870 -0.174 0.000 1.094 349 L CA 0.797 55.572 54.840 -0.109 0.000 0.790 349 L CB -0.134 41.942 42.059 0.028 0.000 0.932 349 L HN 0.161 nan 8.230 nan 0.000 0.447 350 R N -0.997 119.459 120.500 -0.073 0.000 2.167 350 R HA 0.088 4.612 4.340 0.305 0.000 0.201 350 R C -0.006 176.260 176.300 -0.055 0.000 1.024 350 R CA 0.029 56.094 56.100 -0.058 0.000 1.053 350 R CB 0.195 30.501 30.300 0.011 0.000 0.987 350 R HN 0.209 nan 8.270 nan 0.000 0.493 351 D N 0.445 120.842 120.400 -0.006 0.000 2.354 351 D HA -0.008 4.815 4.640 0.305 0.000 0.247 351 D C 0.284 176.661 176.300 0.127 0.000 1.138 351 D CA 0.036 54.079 54.000 0.072 0.000 0.958 351 D CB 1.008 41.887 40.800 0.132 0.000 1.144 351 D HN -0.079 nan 8.370 nan 0.000 0.458 352 D N -1.398 119.130 120.400 0.213 0.000 2.271 352 D HA -0.064 4.759 4.640 0.305 0.000 0.206 352 D C -0.613 175.982 176.300 0.491 0.000 0.967 352 D CA 0.517 54.712 54.000 0.326 0.000 0.867 352 D CB 0.284 41.219 40.800 0.225 0.000 0.960 352 D HN 0.343 nan 8.370 nan 0.000 0.509 353 Y N -0.611 119.833 120.300 0.241 0.000 2.470 353 Y HA 0.459 5.192 4.550 0.305 0.000 0.341 353 Y C -1.546 174.451 175.900 0.162 0.000 1.021 353 Y CA -0.706 57.502 58.100 0.180 0.000 1.025 353 Y CB 2.042 40.565 38.460 0.105 0.000 1.266 353 Y HN -0.306 nan 8.280 nan 0.000 0.448 354 T N 5.478 119.847 114.554 -0.308 0.000 3.011 354 T HA 0.207 4.741 4.350 0.305 0.000 0.303 354 T C -1.130 173.326 174.700 -0.407 0.000 0.997 354 T CA -0.761 61.231 62.100 -0.180 0.000 1.007 354 T CB 1.448 70.328 68.868 0.020 0.000 1.017 354 T HN 0.695 nan 8.240 nan 0.000 0.443 355 E N 2.276 122.329 120.200 -0.246 0.000 2.349 355 E HA 0.237 4.770 4.350 0.305 0.000 0.265 355 E C 0.148 176.706 176.600 -0.071 0.000 1.064 355 E CA -0.775 55.527 56.400 -0.164 0.000 0.886 355 E CB 0.793 30.516 29.700 0.038 0.000 1.036 355 E HN 0.460 nan 8.360 nan 0.000 0.413 356 K N 2.376 122.750 120.400 -0.044 0.000 2.511 356 K HA -0.125 4.379 4.320 0.305 0.000 0.280 356 K C -1.034 175.537 176.600 -0.047 0.000 1.008 356 K CA 0.663 56.931 56.287 -0.032 0.000 1.050 356 K CB 0.333 32.824 32.500 -0.014 0.000 0.889 356 K HN 0.370 nan 8.250 nan 0.000 0.484 357 D N 3.802 124.156 120.400 -0.078 0.000 2.351 357 D HA 0.145 4.969 4.640 0.305 0.000 0.235 357 D C 0.218 176.432 176.300 -0.144 0.000 1.331 357 D CA -0.474 53.475 54.000 -0.084 0.000 0.959 357 D CB 0.621 41.391 40.800 -0.050 0.000 1.432 357 D HN 0.506 nan 8.370 nan 0.000 0.544 358 R N 0.826 121.213 120.500 -0.188 0.000 2.193 358 R HA -0.059 4.464 4.340 0.305 0.000 0.229 358 R C 1.804 177.987 176.300 -0.195 0.000 1.110 358 R CA 1.070 57.000 56.100 -0.283 0.000 0.988 358 R CB -0.503 29.628 30.300 -0.280 0.000 0.871 358 R HN 0.495 nan 8.270 nan 0.000 0.458 359 S N 0.241 115.869 115.700 -0.120 0.000 2.474 359 S HA -0.053 4.601 4.470 0.305 0.000 0.235 359 S C 1.555 176.111 174.600 -0.073 0.000 0.997 359 S CA 0.659 58.810 58.200 -0.081 0.000 0.949 359 S CB -0.012 63.154 63.200 -0.057 0.000 0.766 359 S HN 0.270 nan 8.310 nan 0.000 0.517 360 R N 0.249 120.699 120.500 -0.084 0.000 2.509 360 R HA 0.320 4.843 4.340 0.305 0.000 0.300 360 R C 1.092 177.357 176.300 -0.060 0.000 0.985 360 R CA 0.299 56.362 56.100 -0.061 0.000 1.092 360 R CB 0.406 30.675 30.300 -0.051 0.000 1.237 360 R HN 0.513 nan 8.270 nan 0.000 0.546 361 G N 1.856 110.583 108.800 -0.121 0.000 2.160 361 G HA2 -0.268 3.875 3.960 0.305 0.000 0.251 361 G HA3 -0.268 3.875 3.960 0.305 0.000 0.251 361 G C 0.122 174.986 174.900 -0.060 0.000 1.008 361 G CA -0.091 44.937 45.100 -0.121 0.000 0.724 361 G HN 0.296 nan 8.290 nan 0.000 0.514 362 I N 0.823 121.324 120.570 -0.115 0.000 2.282 362 I HA 0.299 4.652 4.170 0.305 0.000 0.290 362 I C 1.351 177.390 176.117 -0.130 0.000 1.090 362 I CA -0.923 60.366 61.300 -0.019 0.000 1.231 362 I CB 0.349 38.349 38.000 -0.001 0.000 1.434 362 I HN 0.080 nan 8.210 nan 0.000 0.487 363 Y N 5.098 125.298 120.300 -0.166 0.000 2.314 363 Y HA 0.060 4.793 4.550 0.305 0.000 0.293 363 Y C 0.434 176.007 175.900 -0.545 0.000 1.129 363 Y CA 0.953 58.817 58.100 -0.393 0.000 1.201 363 Y CB -0.044 38.042 38.460 -0.624 0.000 0.999 363 Y HN 0.301 nan 8.280 nan 0.000 0.541 364 F N -1.888 118.177 119.950 0.192 0.000 2.588 364 F HA 0.414 5.124 4.527 0.305 0.000 0.314 364 F C 0.235 176.034 175.800 -0.001 0.000 1.069 364 F CA -1.687 56.377 58.000 0.106 0.000 0.931 364 F CB 0.981 40.043 39.000 0.104 0.000 1.260 364 F HN -0.512 nan 8.300 nan 0.000 0.465 365 T N 1.468 116.114 114.554 0.153 0.000 2.884 365 T HA 0.346 4.879 4.350 0.305 0.000 0.298 365 T C -0.627 174.004 174.700 -0.115 0.000 0.998 365 T CA -0.167 61.896 62.100 -0.062 0.000 1.124 365 T CB 0.878 69.698 68.868 -0.080 0.000 0.931 365 T HN 0.453 nan 8.240 nan 0.000 0.531 366 Q N 1.872 121.512 119.800 -0.265 0.000 2.304 366 Q HA 0.526 5.049 4.340 0.305 0.000 0.270 366 Q C -1.364 174.398 176.000 -0.396 0.000 1.035 366 Q CA -0.417 55.191 55.803 -0.324 0.000 0.781 366 Q CB 1.525 30.095 28.738 -0.279 0.000 1.261 366 Q HN 0.594 nan 8.270 nan 0.000 0.444 367 S N 3.190 118.675 115.700 -0.358 0.000 2.501 367 S HA 0.435 5.088 4.470 0.305 0.000 0.301 367 S C -0.705 173.699 174.600 -0.326 0.000 1.096 367 S CA -0.544 57.581 58.200 -0.124 0.000 1.063 367 S CB 0.581 63.835 63.200 0.089 0.000 1.042 367 S HN 0.818 nan 8.310 nan 0.000 0.494 368 W N 1.111 122.458 121.300 0.078 0.000 3.127 368 W HA 0.226 5.070 4.660 0.306 0.000 0.344 368 W C 0.551 177.097 176.519 0.045 0.000 1.151 368 W CA -0.478 56.893 57.345 0.043 0.000 1.765 368 W CB -0.132 29.348 29.460 0.032 0.000 1.085 368 W HN 0.620 nan 8.180 nan 0.000 0.596 369 V N -0.143 119.901 119.914 0.217 0.000 5.637 369 V HA -0.377 3.926 4.120 0.305 0.000 0.246 369 V C 0.646 176.828 176.094 0.147 0.000 0.678 369 V CA 0.598 62.987 62.300 0.148 0.000 0.578 369 V CB -2.548 29.335 31.823 0.099 0.000 0.235 369 V HN 0.481 nan 8.190 nan 0.000 0.609 370 S N -1.625 114.172 115.700 0.161 0.000 3.476 370 S HA -0.204 4.449 4.470 0.305 0.000 0.309 370 S C 0.643 175.304 174.600 0.101 0.000 1.222 370 S CA 1.321 59.591 58.200 0.117 0.000 0.922 370 S CB -1.805 61.442 63.200 0.079 0.000 1.023 370 S HN 1.495 nan 8.310 nan 0.000 0.591 371 T N 3.553 118.194 114.554 0.145 0.000 2.888 371 T HA 0.326 4.859 4.350 0.305 0.000 0.301 371 T C -1.821 172.875 174.700 -0.007 0.000 1.001 371 T CA -0.602 61.551 62.100 0.088 0.000 1.147 371 T CB 0.412 69.377 68.868 0.162 0.000 0.931 371 T HN 0.054 nan 8.240 nan 0.000 0.541 372 P HA 0.174 nan 4.420 nan 0.000 0.266 372 P C 0.370 177.594 177.300 -0.126 0.000 1.193 372 P CA -0.102 62.968 63.100 -0.050 0.000 0.770 372 P CB 0.371 32.053 31.700 -0.030 0.000 0.836 373 G N 1.108 109.846 108.800 -0.104 0.000 2.507 373 G HA2 0.443 4.586 3.960 0.305 0.000 0.271 373 G HA3 0.443 4.586 3.960 0.305 0.000 0.271 373 G C -0.812 174.023 174.900 -0.108 0.000 1.189 373 G CA -0.368 44.644 45.100 -0.148 0.000 0.859 373 G HN 0.363 nan 8.290 nan 0.000 0.542 374 V N 1.366 121.205 119.914 -0.125 0.000 2.547 374 V HA 0.289 4.592 4.120 0.305 0.000 0.299 374 V C -0.196 175.879 176.094 -0.032 0.000 1.040 374 V CA -0.869 61.386 62.300 -0.076 0.000 0.913 374 V CB 1.672 33.423 31.823 -0.119 0.000 0.992 374 V HN 0.559 nan 8.190 nan 0.000 0.449 375 L N 8.283 129.506 121.223 0.000 0.000 2.315 375 L HA 0.444 4.967 4.340 0.305 0.000 0.283 375 L C -2.054 174.761 176.870 -0.091 0.000 1.089 375 L CA -1.673 53.139 54.840 -0.047 0.000 0.833 375 L CB 0.908 42.908 42.059 -0.098 0.000 1.170 375 L HN 0.439 nan 8.230 nan 0.000 0.442 376 P HA 0.110 nan 4.420 nan 0.000 0.275 376 P C -1.076 176.080 177.300 -0.239 0.000 1.227 376 P CA -0.198 62.865 63.100 -0.061 0.000 0.781 376 P CB 1.286 33.037 31.700 0.086 0.000 0.906 377 V N 3.046 122.787 119.914 -0.289 0.000 2.378 377 V HA 0.481 4.785 4.120 0.305 0.000 0.288 377 V C 0.488 176.274 176.094 -0.513 0.000 1.016 377 V CA -0.809 61.229 62.300 -0.436 0.000 0.840 377 V CB 1.230 32.758 31.823 -0.491 0.000 0.994 377 V HN 0.682 nan 8.190 nan 0.000 0.431 378 A N 3.968 126.415 122.820 -0.621 0.000 2.269 378 A HA 0.801 5.304 4.320 0.305 0.000 0.302 378 A C 0.080 177.400 177.584 -0.440 0.000 1.266 378 A CA -0.159 51.530 52.037 -0.580 0.000 0.894 378 A CB 0.872 19.369 19.000 -0.838 0.000 1.147 378 A HN 0.840 nan 8.150 nan 0.000 0.537 379 S N 1.637 117.162 115.700 -0.293 0.000 2.537 379 S HA 0.761 5.414 4.470 0.305 0.000 0.270 379 S C -0.481 174.040 174.600 -0.132 0.000 1.142 379 S CA 0.411 58.476 58.200 -0.225 0.000 0.870 379 S CB 1.407 64.547 63.200 -0.100 0.000 1.112 379 S HN 2.587 nan 8.310 nan 0.000 0.466 380 G N 1.444 110.156 108.800 -0.148 0.000 2.992 380 G HA2 0.439 4.582 3.960 0.305 0.000 0.677 380 G HA3 0.439 4.582 3.960 0.305 0.000 0.677 380 G C 0.879 175.654 174.900 -0.208 0.000 1.191 380 G CA 0.312 45.332 45.100 -0.133 0.000 1.178 380 G HN 2.167 nan 8.290 nan 0.000 0.506 381 G N 0.297 108.996 108.800 -0.168 0.000 2.198 381 G HA2 -0.003 4.141 3.960 0.305 0.000 0.260 381 G HA3 -0.003 4.141 3.960 0.305 0.000 0.260 381 G C 0.593 175.512 174.900 0.031 0.000 1.025 381 G CA 1.019 46.014 45.100 -0.175 0.000 0.769 381 G HN 2.293 nan 8.290 nan 0.000 0.507 382 I N -2.403 118.183 120.570 0.027 0.000 2.707 382 I HA 0.985 5.338 4.170 0.305 0.000 0.309 382 I C 0.162 176.500 176.117 0.368 0.000 1.001 382 I CA -1.413 60.003 61.300 0.193 0.000 1.129 382 I CB 1.840 39.819 38.000 -0.035 0.000 1.308 382 I HN 0.342 nan 8.210 nan 0.000 0.466 383 H N 0.996 120.362 119.070 0.493 0.000 2.942 383 H HA 0.445 5.183 4.556 0.304 0.000 0.316 383 H C 0.659 176.020 175.328 0.054 0.000 1.323 383 H CA -0.406 55.690 56.048 0.081 0.000 1.144 383 H CB 0.542 30.090 29.762 -0.356 0.000 1.866 383 H HN 0.391 nan 8.280 nan 0.000 0.545 384 V N -2.578 117.379 119.914 0.070 0.000 2.277 384 V HA -0.314 3.990 4.120 0.305 0.000 0.253 384 V C 1.419 177.486 176.094 -0.045 0.000 1.067 384 V CA 2.103 64.341 62.300 -0.104 0.000 1.047 384 V CB -1.336 30.349 31.823 -0.231 0.000 0.649 384 V HN 0.811 nan 8.190 nan 0.000 0.447 385 W N -0.348 121.049 121.300 0.163 0.000 2.468 385 W HA 0.003 4.851 4.660 0.314 0.000 0.262 385 W C 2.584 179.073 176.519 -0.051 0.000 1.241 385 W CA 1.131 58.500 57.345 0.039 0.000 1.232 385 W CB -0.451 29.066 29.460 0.095 0.000 1.124 385 W HN 0.384 nan 8.180 nan 0.000 0.597 386 H N -1.068 118.087 119.070 0.142 0.000 2.535 386 H HA 0.014 4.755 4.556 0.307 0.000 0.273 386 H C 1.923 177.327 175.328 0.127 0.000 0.983 386 H CA 0.913 57.009 56.048 0.080 0.000 1.238 386 H CB -0.445 29.305 29.762 -0.019 0.000 1.412 386 H HN 0.141 nan 8.280 nan 0.000 0.562 387 M N 1.329 121.064 119.600 0.225 0.000 2.113 387 M HA -0.124 4.539 4.480 0.305 0.000 0.255 387 M C -0.899 175.492 176.300 0.152 0.000 1.073 387 M CA 1.889 57.293 55.300 0.174 0.000 1.091 387 M CB -0.983 31.652 32.600 0.058 0.000 1.309 387 M HN 0.084 nan 8.290 nan 0.000 0.407 388 P HA -0.089 nan 4.420 nan 0.000 0.215 388 P C 1.131 178.503 177.300 0.119 0.000 1.153 388 P CA 2.235 65.404 63.100 0.116 0.000 0.853 388 P CB -0.320 31.450 31.700 0.116 0.000 0.788 389 A N -0.671 122.233 122.820 0.141 0.000 1.902 389 A HA -0.173 4.330 4.320 0.305 0.000 0.217 389 A C 2.211 179.868 177.584 0.121 0.000 1.181 389 A CA 1.505 53.611 52.037 0.116 0.000 0.623 389 A CB -1.682 17.396 19.000 0.129 0.000 0.818 389 A HN 0.100 nan 8.150 nan 0.000 0.443 390 L N -0.803 120.530 121.223 0.182 0.000 2.017 390 L HA -0.163 4.360 4.340 0.305 0.000 0.208 390 L C 2.796 179.836 176.870 0.283 0.000 1.073 390 L CA 1.815 56.819 54.840 0.275 0.000 0.745 390 L CB -1.055 41.152 42.059 0.247 0.000 0.894 390 L HN 0.339 nan 8.230 nan 0.000 0.432 391 T N -1.106 113.561 114.554 0.187 0.000 2.788 391 T HA -0.217 4.316 4.350 0.305 0.000 0.268 391 T C 1.813 176.581 174.700 0.114 0.000 1.044 391 T CA 1.356 63.546 62.100 0.149 0.000 1.139 391 T CB -0.160 68.774 68.868 0.110 0.000 0.867 391 T HN 0.346 nan 8.240 nan 0.000 0.454 392 E N 0.786 121.035 120.200 0.082 0.000 2.072 392 E HA -0.076 4.457 4.350 0.305 0.000 0.191 392 E C 2.202 178.787 176.600 -0.024 0.000 0.985 392 E CA 0.863 57.283 56.400 0.033 0.000 0.801 392 E CB -0.157 29.560 29.700 0.028 0.000 0.750 392 E HN 0.500 nan 8.360 nan 0.000 0.452 393 I N -0.273 120.251 120.570 -0.078 0.000 2.233 393 I HA -0.220 4.133 4.170 0.305 0.000 0.243 393 I C 1.899 177.767 176.117 -0.415 0.000 1.093 393 I CA 1.044 62.155 61.300 -0.314 0.000 1.380 393 I CB -0.184 37.492 38.000 -0.540 0.000 1.067 393 I HN 0.051 nan 8.210 nan 0.000 0.413 394 F N 0.353 120.295 119.950 -0.013 0.000 2.582 394 F HA 0.338 5.047 4.527 0.304 0.000 0.290 394 F C 1.603 177.402 175.800 -0.002 0.000 1.115 394 F CA 0.596 58.587 58.000 -0.015 0.000 1.445 394 F CB -0.624 38.362 39.000 -0.022 0.000 1.126 394 F HN 0.143 nan 8.300 nan 0.000 0.574 395 G N 0.752 109.652 108.800 0.167 0.000 2.693 395 G HA2 -0.279 3.865 3.960 0.305 0.000 0.226 395 G HA3 -0.279 3.865 3.960 0.305 0.000 0.226 395 G C 0.153 175.120 174.900 0.111 0.000 1.354 395 G CA 0.048 45.213 45.100 0.109 0.000 0.873 395 G HN 0.129 nan 8.290 nan 0.000 0.562 396 D N 0.546 120.996 120.400 0.083 0.000 2.144 396 D HA 0.029 4.853 4.640 0.305 0.000 0.200 396 D C 1.008 177.346 176.300 0.064 0.000 0.978 396 D CA 1.388 55.431 54.000 0.072 0.000 0.833 396 D CB -0.125 40.716 40.800 0.069 0.000 0.961 396 D HN 0.396 nan 8.370 nan 0.000 0.470 397 D N 0.738 121.179 120.400 0.068 0.000 2.551 397 D HA 0.168 4.991 4.640 0.305 0.000 0.223 397 D C 0.025 176.346 176.300 0.036 0.000 1.144 397 D CA 0.118 54.148 54.000 0.051 0.000 1.025 397 D CB -0.053 40.780 40.800 0.054 0.000 1.085 397 D HN 0.048 nan 8.370 nan 0.000 0.506 398 S N -1.166 114.529 115.700 -0.008 0.000 2.611 398 S HA 0.568 5.221 4.470 0.305 0.000 0.268 398 S C -1.102 173.418 174.600 -0.133 0.000 1.156 398 S CA -0.911 57.232 58.200 -0.096 0.000 0.817 398 S CB 1.702 64.838 63.200 -0.105 0.000 1.122 398 S HN -0.075 nan 8.310 nan 0.000 0.466 399 V N 1.711 121.489 119.914 -0.225 0.000 2.487 399 V HA 0.503 4.806 4.120 0.305 0.000 0.298 399 V C -0.832 175.120 176.094 -0.237 0.000 1.028 399 V CA -0.611 61.592 62.300 -0.162 0.000 0.860 399 V CB 1.288 33.004 31.823 -0.179 0.000 0.991 399 V HN 0.824 nan 8.190 nan 0.000 0.427 400 L N 5.112 126.240 121.223 -0.158 0.000 2.287 400 L HA 0.576 5.099 4.340 0.305 0.000 0.287 400 L C -0.163 176.510 176.870 -0.327 0.000 1.022 400 L CA -0.343 54.335 54.840 -0.269 0.000 0.814 400 L CB 1.403 43.429 42.059 -0.056 0.000 1.217 400 L HN 0.622 nan 8.230 nan 0.000 0.420 401 Q N 3.570 123.036 119.800 -0.557 0.000 2.316 401 Q HA 0.527 5.050 4.340 0.305 0.000 0.264 401 Q C -1.485 174.092 176.000 -0.705 0.000 0.987 401 Q CA -0.454 55.091 55.803 -0.430 0.000 0.852 401 Q CB 2.405 31.003 28.738 -0.234 0.000 1.287 401 Q HN 0.403 nan 8.270 nan 0.000 0.448 402 F N 0.862 120.782 119.950 -0.050 0.000 2.532 402 F HA 0.351 5.066 4.527 0.313 0.000 0.365 402 F C 0.865 176.640 175.800 -0.043 0.000 1.112 402 F CA -0.692 57.275 58.000 -0.055 0.000 1.082 402 F CB 1.279 40.243 39.000 -0.060 0.000 1.319 402 F HN 0.740 nan 8.300 nan 0.000 0.457 403 G N 1.520 110.359 108.800 0.065 0.000 2.572 403 G HA2 0.047 4.191 3.960 0.305 0.000 0.214 403 G HA3 0.047 4.191 3.960 0.305 0.000 0.214 403 G C 1.757 176.703 174.900 0.075 0.000 1.246 403 G CA 0.622 45.754 45.100 0.054 0.000 0.835 403 G HN 0.746 nan 8.290 nan 0.000 0.551 404 G N 0.611 109.450 108.800 0.064 0.000 2.448 404 G HA2 0.098 4.241 3.960 0.305 0.000 0.219 404 G HA3 0.098 4.241 3.960 0.305 0.000 0.219 404 G C 1.651 176.588 174.900 0.062 0.000 1.127 404 G CA 1.298 46.450 45.100 0.087 0.000 0.766 404 G HN 0.667 nan 8.290 nan 0.000 0.552 405 G N -0.650 108.136 108.800 -0.024 0.000 2.625 405 G HA2 0.117 4.260 3.960 0.305 0.000 0.214 405 G HA3 0.117 4.260 3.960 0.305 0.000 0.214 405 G C 1.444 176.379 174.900 0.059 0.000 1.132 405 G CA 1.550 46.530 45.100 -0.201 0.000 0.782 405 G HN 0.406 nan 8.290 nan 0.000 0.538 406 T N 0.174 114.820 114.554 0.152 0.000 3.138 406 T HA 0.098 4.631 4.350 0.305 0.000 0.245 406 T C 1.937 176.750 174.700 0.188 0.000 0.982 406 T CA -0.104 62.086 62.100 0.151 0.000 1.134 406 T CB -0.023 68.897 68.868 0.086 0.000 1.032 406 T HN 0.051 nan 8.240 nan 0.000 0.442 407 L N 1.598 122.912 121.223 0.152 0.000 2.551 407 L HA 0.269 4.793 4.340 0.305 0.000 0.228 407 L C 2.200 179.188 176.870 0.196 0.000 1.153 407 L CA 0.826 55.748 54.840 0.137 0.000 0.851 407 L CB -0.294 41.813 42.059 0.080 0.000 0.959 407 L HN 0.360 nan 8.230 nan 0.000 0.451 408 G N -3.015 105.971 108.800 0.311 0.000 3.126 408 G HA2 -0.064 4.080 3.960 0.305 0.000 0.224 408 G HA3 -0.064 4.080 3.960 0.305 0.000 0.224 408 G C 0.484 175.593 174.900 0.350 0.000 1.142 408 G CA -0.282 45.050 45.100 0.387 0.000 0.759 408 G HN 0.282 nan 8.290 nan 0.000 0.550 409 H N 1.907 121.120 119.070 0.238 0.000 2.764 409 H HA 0.115 4.851 4.556 0.300 0.000 0.341 409 H C -1.084 174.218 175.328 -0.043 0.000 1.072 409 H CA -1.228 54.833 56.048 0.020 0.000 1.444 409 H CB 2.142 31.928 29.762 0.041 0.000 1.458 409 H HN -0.003 nan 8.280 nan 0.000 0.572 410 P HA -0.155 nan 4.420 nan 0.000 0.219 410 P C 0.704 178.190 177.300 0.311 0.000 1.146 410 P CA 1.163 64.213 63.100 -0.082 0.000 0.808 410 P CB 0.074 31.615 31.700 -0.264 0.000 0.779 411 W N 0.279 121.716 121.300 0.227 0.000 3.278 411 W HA 0.492 5.325 4.660 0.288 0.000 0.308 411 W C 1.165 177.749 176.519 0.108 0.000 1.253 411 W CA 0.499 57.943 57.345 0.164 0.000 1.759 411 W CB -0.658 28.905 29.460 0.171 0.000 1.093 411 W HN 0.070 nan 8.180 nan 0.000 0.648 412 G N 0.732 109.726 108.800 0.323 0.000 2.483 412 G HA2 -0.277 3.867 3.960 0.305 0.000 0.521 412 G HA3 -0.277 3.867 3.960 0.305 0.000 0.521 412 G C 0.639 175.596 174.900 0.095 0.000 1.278 412 G CA -0.210 44.990 45.100 0.167 0.000 0.965 412 G HN -0.041 nan 8.290 nan 0.000 0.504 413 N N 0.027 118.749 118.700 0.037 0.000 2.080 413 N HA 0.017 4.940 4.740 0.305 0.000 0.189 413 N C 2.766 178.234 175.510 -0.070 0.000 1.036 413 N CA 2.614 55.657 53.050 -0.012 0.000 0.846 413 N CB -0.798 37.671 38.487 -0.031 0.000 1.015 413 N HN 1.106 nan 8.380 nan 0.000 0.423 414 A N 1.561 124.331 122.820 -0.084 0.000 1.865 414 A HA -0.076 4.428 4.320 0.305 0.000 0.217 414 A C -0.200 177.312 177.584 -0.121 0.000 1.191 414 A CA 1.555 53.525 52.037 -0.112 0.000 0.623 414 A CB -1.592 17.342 19.000 -0.110 0.000 0.826 414 A HN 0.240 nan 8.150 nan 0.000 0.444 415 P HA -0.031 nan 4.420 nan 0.000 0.221 415 P C 1.622 178.571 177.300 -0.584 0.000 1.150 415 P CA 1.494 64.454 63.100 -0.232 0.000 0.800 415 P CB -0.262 31.417 31.700 -0.035 0.000 0.787 416 G N 0.178 108.672 108.800 -0.510 0.000 2.408 416 G HA2 -0.206 3.938 3.960 0.305 0.000 0.217 416 G HA3 -0.206 3.938 3.960 0.305 0.000 0.217 416 G C 1.609 176.388 174.900 -0.202 0.000 1.150 416 G CA 0.824 45.701 45.100 -0.372 0.000 0.776 416 G HN 0.289 nan 8.290 nan 0.000 0.542 417 A N 0.244 122.970 122.820 -0.158 0.000 1.873 417 A HA 0.104 4.607 4.320 0.305 0.000 0.215 417 A C 2.600 180.101 177.584 -0.137 0.000 1.186 417 A CA 1.721 53.687 52.037 -0.119 0.000 0.616 417 A CB -0.671 18.271 19.000 -0.097 0.000 0.823 417 A HN 0.231 nan 8.150 nan 0.000 0.442 418 V N 0.091 119.916 119.914 -0.147 0.000 2.287 418 V HA -0.308 3.996 4.120 0.305 0.000 0.248 418 V C 3.082 179.085 176.094 -0.152 0.000 1.053 418 V CA 2.108 64.335 62.300 -0.121 0.000 1.027 418 V CB -1.366 30.399 31.823 -0.096 0.000 0.646 418 V HN 0.626 nan 8.190 nan 0.000 0.447 419 A N 0.266 122.958 122.820 -0.213 0.000 1.883 419 A HA -0.321 4.182 4.320 0.305 0.000 0.217 419 A C 2.042 179.489 177.584 -0.228 0.000 1.186 419 A CA 2.585 54.493 52.037 -0.216 0.000 0.624 419 A CB -0.937 17.961 19.000 -0.169 0.000 0.822 419 A HN 0.710 nan 8.150 nan 0.000 0.444 420 N N -1.317 117.230 118.700 -0.256 0.000 2.142 420 N HA -0.167 4.757 4.740 0.305 0.000 0.186 420 N C 1.997 177.372 175.510 -0.225 0.000 1.023 420 N CA 1.347 54.176 53.050 -0.369 0.000 0.852 420 N CB -0.142 38.050 38.487 -0.491 0.000 0.998 420 N HN 0.427 nan 8.380 nan 0.000 0.424 421 R N 1.169 121.584 120.500 -0.142 0.000 2.081 421 R HA -0.021 4.503 4.340 0.305 0.000 0.235 421 R C 1.776 178.049 176.300 -0.046 0.000 1.131 421 R CA 1.086 57.142 56.100 -0.074 0.000 0.960 421 R CB -0.762 29.506 30.300 -0.054 0.000 0.856 421 R HN 0.026 nan 8.270 nan 0.000 0.436 422 V N 0.796 120.675 119.914 -0.058 0.000 2.295 422 V HA -0.206 4.097 4.120 0.305 0.000 0.246 422 V C 2.358 178.424 176.094 -0.047 0.000 1.049 422 V CA 1.983 64.275 62.300 -0.012 0.000 1.024 422 V CB -0.988 30.779 31.823 -0.092 0.000 0.648 422 V HN 0.549 nan 8.190 nan 0.000 0.447 423 A N -0.236 122.502 122.820 -0.137 0.000 1.908 423 A HA -0.231 4.272 4.320 0.305 0.000 0.218 423 A C 2.171 179.719 177.584 -0.061 0.000 1.181 423 A CA 2.273 54.224 52.037 -0.142 0.000 0.627 423 A CB -0.616 18.254 19.000 -0.217 0.000 0.818 423 A HN 0.462 nan 8.150 nan 0.000 0.445 424 L N 0.127 121.320 121.223 -0.049 0.000 1.994 424 L HA -0.143 4.380 4.340 0.305 0.000 0.208 424 L C 2.176 179.063 176.870 0.029 0.000 1.071 424 L CA 2.503 57.346 54.840 0.005 0.000 0.745 424 L CB -0.751 41.316 42.059 0.014 0.000 0.892 424 L HN 0.521 nan 8.230 nan 0.000 0.431 425 E N -0.456 119.764 120.200 0.034 0.000 2.204 425 E HA -0.177 4.356 4.350 0.305 0.000 0.194 425 E C 2.105 178.750 176.600 0.076 0.000 0.989 425 E CA 0.915 57.348 56.400 0.055 0.000 0.824 425 E CB -0.244 29.494 29.700 0.063 0.000 0.756 425 E HN 0.670 nan 8.360 nan 0.000 0.477 426 A N 0.750 123.625 122.820 0.091 0.000 1.930 426 A HA -0.165 4.338 4.320 0.305 0.000 0.217 426 A C 2.391 180.019 177.584 0.072 0.000 1.175 426 A CA 0.979 53.083 52.037 0.112 0.000 0.627 426 A CB -0.693 18.370 19.000 0.105 0.000 0.815 426 A HN 0.330 nan 8.150 nan 0.000 0.443 427 C N -1.370 117.962 119.300 0.053 0.000 2.446 427 C HA -0.032 4.612 4.460 0.305 0.000 0.277 427 C C 2.740 177.763 174.990 0.055 0.000 1.275 427 C CA 0.941 59.991 59.018 0.053 0.000 1.727 427 C CB -1.166 26.607 27.740 0.055 0.000 2.010 427 C HN 0.451 nan 8.230 nan 0.000 0.486 428 V N 0.690 120.637 119.914 0.054 0.000 2.295 428 V HA -0.303 4.001 4.120 0.305 0.000 0.246 428 V C 2.527 178.648 176.094 0.045 0.000 1.049 428 V CA 2.336 64.666 62.300 0.050 0.000 1.024 428 V CB -0.920 30.931 31.823 0.048 0.000 0.648 428 V HN 0.635 nan 8.190 nan 0.000 0.447 429 Q N -0.093 119.734 119.800 0.046 0.000 2.061 429 Q HA -0.245 4.278 4.340 0.305 0.000 0.204 429 Q C 2.240 178.263 176.000 0.039 0.000 0.984 429 Q CA 2.281 58.107 55.803 0.038 0.000 0.846 429 Q CB -0.331 28.430 28.738 0.039 0.000 0.902 429 Q HN 0.622 nan 8.270 nan 0.000 0.421 430 A N 1.279 124.127 122.820 0.047 0.000 1.902 430 A HA -0.226 4.278 4.320 0.305 0.000 0.217 430 A C 2.149 179.757 177.584 0.040 0.000 1.181 430 A CA 1.574 53.638 52.037 0.045 0.000 0.623 430 A CB -0.748 18.283 19.000 0.053 0.000 0.818 430 A HN 0.474 nan 8.150 nan 0.000 0.443 431 R N 0.139 120.664 120.500 0.041 0.000 2.073 431 R HA -0.159 4.364 4.340 0.305 0.000 0.234 431 R C 1.859 178.178 176.300 0.032 0.000 1.134 431 R CA 1.929 58.052 56.100 0.038 0.000 0.952 431 R CB -0.563 29.762 30.300 0.042 0.000 0.850 431 R HN 0.732 nan 8.270 nan 0.000 0.433 432 N N 0.113 118.832 118.700 0.031 0.000 2.223 432 N HA -0.150 4.773 4.740 0.305 0.000 0.185 432 N C 0.947 176.470 175.510 0.022 0.000 1.016 432 N CA 1.072 54.137 53.050 0.026 0.000 0.863 432 N CB 0.006 38.508 38.487 0.025 0.000 0.983 432 N HN 0.433 nan 8.380 nan 0.000 0.429 433 E N -0.140 120.074 120.200 0.023 0.000 2.502 433 E HA 0.036 4.569 4.350 0.305 0.000 0.194 433 E C 0.824 177.436 176.600 0.020 0.000 1.062 433 E CA 0.032 56.443 56.400 0.019 0.000 0.867 433 E CB 0.269 29.981 29.700 0.020 0.000 0.888 433 E HN 0.456 nan 8.360 nan 0.000 0.510 434 G N 1.979 110.792 108.800 0.022 0.000 2.141 434 G HA2 -0.256 3.887 3.960 0.305 0.000 0.231 434 G HA3 -0.256 3.887 3.960 0.305 0.000 0.231 434 G C 0.124 175.038 174.900 0.023 0.000 0.984 434 G CA -0.376 44.736 45.100 0.020 0.000 0.660 434 G HN 0.086 nan 8.290 nan 0.000 0.525 435 R N 0.325 120.842 120.500 0.028 0.000 2.459 435 R HA 0.377 4.900 4.340 0.305 0.000 0.281 435 R C -0.793 175.527 176.300 0.032 0.000 1.050 435 R CA -0.599 55.520 56.100 0.031 0.000 1.055 435 R CB 0.807 31.128 30.300 0.036 0.000 1.045 435 R HN 0.189 nan 8.270 nan 0.000 0.495 436 D N 2.946 123.365 120.400 0.032 0.000 2.393 436 D HA 0.066 4.889 4.640 0.305 0.000 0.232 436 D C 1.175 177.499 176.300 0.039 0.000 1.192 436 D CA -0.099 53.920 54.000 0.031 0.000 0.882 436 D CB 0.592 41.408 40.800 0.026 0.000 1.038 436 D HN 0.416 nan 8.370 nan 0.000 0.499 437 L N 2.949 124.198 121.223 0.042 0.000 2.127 437 L HA -0.187 4.336 4.340 0.305 0.000 0.211 437 L C 2.299 179.202 176.870 0.055 0.000 1.089 437 L CA 1.246 56.118 54.840 0.053 0.000 0.757 437 L CB -0.396 41.696 42.059 0.055 0.000 0.899 437 L HN 0.464 nan 8.230 nan 0.000 0.434 438 A N 0.125 122.970 122.820 0.043 0.000 1.855 438 A HA -0.226 4.278 4.320 0.305 0.000 0.215 438 A C 2.483 180.093 177.584 0.043 0.000 1.191 438 A CA 1.754 53.815 52.037 0.040 0.000 0.613 438 A CB -0.493 18.522 19.000 0.025 0.000 0.829 438 A HN 0.342 nan 8.150 nan 0.000 0.442 439 R N -0.248 120.274 120.500 0.037 0.000 2.093 439 R HA -0.021 4.503 4.340 0.305 0.000 0.224 439 R C 1.056 177.383 176.300 0.045 0.000 1.101 439 R CA 1.392 57.514 56.100 0.036 0.000 0.979 439 R CB -0.072 30.245 30.300 0.028 0.000 0.877 439 R HN 0.618 nan 8.270 nan 0.000 0.441 440 E N -0.820 119.410 120.200 0.050 0.000 2.465 440 E HA 0.096 4.629 4.350 0.305 0.000 0.195 440 E C 1.323 177.969 176.600 0.077 0.000 1.028 440 E CA 0.117 56.553 56.400 0.059 0.000 0.899 440 E CB 0.843 30.574 29.700 0.052 0.000 1.032 440 E HN 0.473 nan 8.360 nan 0.000 0.468 441 G N 2.645 111.497 108.800 0.087 0.000 2.631 441 G HA2 -0.362 3.781 3.960 0.305 0.000 0.219 441 G HA3 -0.362 3.781 3.960 0.305 0.000 0.219 441 G C 1.453 176.446 174.900 0.156 0.000 1.214 441 G CA 1.141 46.309 45.100 0.114 0.000 0.785 441 G HN 0.187 nan 8.290 nan 0.000 0.596 442 N N 0.200 119.015 118.700 0.190 0.000 2.149 442 N HA -0.066 4.857 4.740 0.305 0.000 0.188 442 N C 2.373 178.027 175.510 0.240 0.000 1.019 442 N CA 1.592 54.823 53.050 0.301 0.000 0.857 442 N CB -0.742 37.876 38.487 0.218 0.000 0.997 442 N HN 0.320 nan 8.380 nan 0.000 0.426 443 T N 1.225 115.864 114.554 0.143 0.000 2.708 443 T HA 0.009 4.542 4.350 0.305 0.000 0.266 443 T C 2.032 176.783 174.700 0.085 0.000 1.037 443 T CA 0.734 62.897 62.100 0.105 0.000 1.146 443 T CB -0.248 68.665 68.868 0.077 0.000 0.865 443 T HN 0.180 nan 8.240 nan 0.000 0.435 444 I N 0.861 121.477 120.570 0.077 0.000 2.208 444 I HA -0.166 4.187 4.170 0.305 0.000 0.245 444 I C 2.219 178.344 176.117 0.014 0.000 1.097 444 I CA 0.973 62.307 61.300 0.057 0.000 1.363 444 I CB -0.398 37.637 38.000 0.059 0.000 1.051 444 I HN 0.198 nan 8.210 nan 0.000 0.413 445 I N 0.710 121.272 120.570 -0.014 0.000 2.202 445 I HA -0.231 4.122 4.170 0.305 0.000 0.242 445 I C 2.661 178.661 176.117 -0.195 0.000 1.091 445 I CA 1.615 62.811 61.300 -0.174 0.000 1.368 445 I CB -1.180 36.615 38.000 -0.342 0.000 1.058 445 I HN 0.265 nan 8.210 nan 0.000 0.410 446 R N 0.610 121.082 120.500 -0.046 0.000 2.096 446 R HA -0.176 4.348 4.340 0.305 0.000 0.235 446 R C 2.110 178.388 176.300 -0.037 0.000 1.127 446 R CA 1.230 57.325 56.100 -0.008 0.000 0.968 446 R CB -0.254 30.111 30.300 0.108 0.000 0.861 446 R HN 0.504 nan 8.270 nan 0.000 0.440 447 E N 0.655 120.856 120.200 0.002 0.000 2.058 447 E HA -0.187 4.346 4.350 0.305 0.000 0.194 447 E C 2.042 178.644 176.600 0.004 0.000 0.997 447 E CA 1.297 57.726 56.400 0.048 0.000 0.801 447 E CB -0.139 29.621 29.700 0.100 0.000 0.746 447 E HN 0.368 nan 8.360 nan 0.000 0.450 448 A N 1.220 123.974 122.820 -0.109 0.000 2.015 448 A HA -0.157 4.346 4.320 0.305 0.000 0.219 448 A C 2.376 179.436 177.584 -0.875 0.000 1.163 448 A CA 1.810 53.557 52.037 -0.483 0.000 0.646 448 A CB -0.906 17.876 19.000 -0.362 0.000 0.806 448 A HN 0.408 nan 8.150 nan 0.000 0.448 449 T N -2.667 111.602 114.554 -0.475 0.000 2.962 449 T HA -0.086 4.447 4.350 0.305 0.000 0.270 449 T C 1.712 176.229 174.700 -0.305 0.000 1.088 449 T CA 1.499 63.357 62.100 -0.403 0.000 1.127 449 T CB -0.201 68.514 68.868 -0.255 0.000 0.883 449 T HN 0.258 nan 8.240 nan 0.000 0.493 450 K N 1.005 121.275 120.400 -0.216 0.000 2.103 450 K HA -0.009 4.495 4.320 0.305 0.000 0.207 450 K C 1.857 178.480 176.600 0.038 0.000 1.048 450 K CA 1.617 57.884 56.287 -0.034 0.000 0.930 450 K CB -0.344 32.215 32.500 0.097 0.000 0.716 450 K HN 0.861 nan 8.250 nan 0.000 0.444 451 W N -2.347 118.948 121.300 -0.008 0.000 2.998 451 W HA 0.443 5.107 4.660 0.007 0.000 0.336 451 W C -0.078 176.440 176.519 -0.001 0.000 1.112 451 W CA -0.427 56.917 57.345 -0.001 0.000 1.682 451 W CB -0.107 29.350 29.460 -0.004 0.000 1.065 451 W HN -0.144 nan 8.180 nan 0.000 0.570 452 S N 2.912 118.307 115.700 -0.508 0.000 2.532 452 S HA 0.378 5.032 4.470 0.305 0.000 0.318 452 S C -1.562 172.894 174.600 -0.239 0.000 1.083 452 S CA -1.277 56.674 58.200 -0.415 0.000 1.131 452 S CB 1.278 63.973 63.200 -0.842 0.000 0.973 452 S HN -0.302 nan 8.310 nan 0.000 0.468 453 P HA -0.059 nan 4.420 nan 0.000 0.217 453 P C 0.938 178.130 177.300 -0.180 0.000 1.150 453 P CA 0.955 64.072 63.100 0.028 0.000 0.832 453 P CB 0.250 32.120 31.700 0.284 0.000 0.787 454 E N -0.633 119.475 120.200 -0.154 0.000 2.051 454 E HA -0.167 4.366 4.350 0.305 0.000 0.192 454 E C 1.843 178.272 176.600 -0.285 0.000 0.991 454 E CA 0.891 57.102 56.400 -0.315 0.000 0.799 454 E CB -1.228 28.374 29.700 -0.164 0.000 0.748 454 E HN 0.119 nan 8.360 nan 0.000 0.449 455 L N 0.355 121.404 121.223 -0.291 0.000 2.056 455 L HA 0.012 4.535 4.340 0.305 0.000 0.207 455 L C 2.030 178.702 176.870 -0.329 0.000 1.078 455 L CA 1.927 56.580 54.840 -0.311 0.000 0.749 455 L CB -0.851 40.965 42.059 -0.406 0.000 0.901 455 L HN 0.102 nan 8.230 nan 0.000 0.433 456 A N -0.154 122.472 122.820 -0.323 0.000 1.908 456 A HA -0.172 4.332 4.320 0.305 0.000 0.218 456 A C 2.472 179.875 177.584 -0.302 0.000 1.181 456 A CA 2.073 53.949 52.037 -0.269 0.000 0.627 456 A CB -1.262 17.622 19.000 -0.193 0.000 0.818 456 A HN 0.594 nan 8.150 nan 0.000 0.445 457 A N -0.358 122.197 122.820 -0.442 0.000 1.933 457 A HA 0.175 4.678 4.320 0.305 0.000 0.218 457 A C 2.496 179.686 177.584 -0.657 0.000 1.175 457 A CA 2.091 53.757 52.037 -0.619 0.000 0.628 457 A CB -0.955 17.349 19.000 -1.160 0.000 0.814 457 A HN 1.055 nan 8.150 nan 0.000 0.444 458 A N -0.957 121.551 122.820 -0.521 0.000 1.873 458 A HA -0.157 4.346 4.320 0.305 0.000 0.215 458 A C 2.298 179.726 177.584 -0.260 0.000 1.186 458 A CA 1.607 53.402 52.037 -0.403 0.000 0.616 458 A CB -1.317 17.703 19.000 0.034 0.000 0.823 458 A HN 0.588 nan 8.150 nan 0.000 0.442 459 C N -0.410 118.754 119.300 -0.227 0.000 2.413 459 C HA -0.121 4.522 4.460 0.305 0.000 0.277 459 C C 2.656 177.756 174.990 0.184 0.000 1.265 459 C CA 1.265 60.239 59.018 -0.075 0.000 1.752 459 C CB -1.369 26.206 27.740 -0.274 0.000 1.998 459 C HN 0.681 nan 8.230 nan 0.000 0.489 460 E N 0.280 120.438 120.200 -0.069 0.000 2.051 460 E HA -0.174 4.360 4.350 0.305 0.000 0.192 460 E C 2.136 178.619 176.600 -0.195 0.000 0.991 460 E CA 1.447 57.788 56.400 -0.098 0.000 0.799 460 E CB -0.178 29.422 29.700 -0.168 0.000 0.748 460 E HN 0.504 nan 8.360 nan 0.000 0.449 461 V N 0.352 120.009 119.914 -0.428 0.000 2.343 461 V HA -0.197 4.106 4.120 0.305 0.000 0.247 461 V C 1.394 177.155 176.094 -0.555 0.000 1.051 461 V CA 1.288 63.193 62.300 -0.658 0.000 1.036 461 V CB -0.340 30.736 31.823 -1.245 0.000 0.654 461 V HN 0.434 nan 8.190 nan 0.000 0.451 462 W N -0.122 121.096 121.300 -0.136 0.000 3.102 462 W HA 0.347 5.188 4.660 0.303 0.000 0.401 462 W C 1.827 178.226 176.519 -0.201 0.000 1.070 462 W CA -0.811 56.369 57.345 -0.275 0.000 1.921 462 W CB -0.270 28.805 29.460 -0.642 0.000 1.118 462 W HN 0.274 nan 8.180 nan 0.000 0.647 463 K N 1.772 122.217 120.400 0.074 0.000 2.059 463 K HA -0.232 4.271 4.320 0.305 0.000 0.212 463 K C 1.235 177.634 176.600 -0.334 0.000 1.050 463 K CA 1.779 57.945 56.287 -0.202 0.000 0.927 463 K CB 0.146 32.568 32.500 -0.131 0.000 0.714 463 K HN -0.211 nan 8.250 nan 0.000 0.447 464 E N 0.114 120.207 120.200 -0.178 0.000 2.499 464 E HA 0.090 4.623 4.350 0.305 0.000 0.199 464 E C -0.554 175.978 176.600 -0.113 0.000 1.016 464 E CA -0.121 56.181 56.400 -0.163 0.000 0.933 464 E CB 0.379 29.996 29.700 -0.138 0.000 1.050 464 E HN 0.214 nan 8.360 nan 0.000 0.462 465 I N 1.970 122.501 120.570 -0.066 0.000 2.322 465 I HA 0.174 4.527 4.170 0.305 0.000 0.292 465 I C 0.430 176.527 176.117 -0.033 0.000 1.060 465 I CA 0.005 61.264 61.300 -0.069 0.000 1.309 465 I CB -0.018 37.987 38.000 0.007 0.000 1.415 465 I HN -0.282 nan 8.210 nan 0.000 0.492 466 K N 5.797 126.066 120.400 -0.219 0.000 2.435 466 K HA 0.615 5.119 4.320 0.305 0.000 0.251 466 K C -1.378 175.001 176.600 -0.368 0.000 0.954 466 K CA -0.618 55.595 56.287 -0.123 0.000 0.820 466 K CB 2.494 34.968 32.500 -0.042 0.000 1.292 466 K HN 0.129 nan 8.250 nan 0.000 0.436 467 F N 1.608 121.637 119.950 0.132 0.000 2.434 467 F HA 0.287 4.996 4.527 0.304 0.000 0.367 467 F C -0.397 175.440 175.800 0.060 0.000 1.093 467 F CA -0.537 57.544 58.000 0.135 0.000 1.085 467 F CB 1.447 40.563 39.000 0.193 0.000 1.322 467 F HN 0.309 nan 8.300 nan 0.000 0.452 468 E N 3.830 124.005 120.200 -0.042 0.000 2.220 468 E HA 0.570 5.103 4.350 0.305 0.000 0.256 468 E C -1.343 175.032 176.600 -0.375 0.000 0.881 468 E CA -0.515 55.823 56.400 -0.104 0.000 0.766 468 E CB 1.890 31.518 29.700 -0.120 0.000 1.187 468 E HN 0.308 nan 8.360 nan 0.000 0.419 469 F N 1.172 121.171 119.950 0.081 0.000 2.645 469 F HA 0.396 5.106 4.527 0.305 0.000 0.310 469 F C -2.116 173.714 175.800 0.051 0.000 1.102 469 F CA -2.154 55.885 58.000 0.064 0.000 0.952 469 F CB 1.052 40.095 39.000 0.072 0.000 1.326 469 F HN 0.254 nan 8.300 nan 0.000 0.456 470 P HA 0.390 nan 4.420 nan 0.000 0.267 470 P C -1.038 176.344 177.300 0.137 0.000 1.205 470 P CA -0.253 62.937 63.100 0.150 0.000 0.765 470 P CB 0.573 32.346 31.700 0.122 0.000 0.828 471 A N 3.241 126.125 122.820 0.107 0.000 2.354 471 A HA 0.344 4.847 4.320 0.305 0.000 0.269 471 A C 1.074 178.704 177.584 0.076 0.000 1.109 471 A CA -0.365 51.727 52.037 0.092 0.000 0.800 471 A CB 0.292 19.346 19.000 0.090 0.000 1.045 471 A HN 0.479 nan 8.150 nan 0.000 0.489 472 M N 0.468 120.108 119.600 0.066 0.000 2.357 472 M HA 0.063 4.726 4.480 0.305 0.000 0.266 472 M C 0.241 176.588 176.300 0.078 0.000 1.095 472 M CA 0.827 56.163 55.300 0.060 0.000 1.156 472 M CB -1.116 31.508 32.600 0.040 0.000 1.365 472 M HN 0.803 nan 8.290 nan 0.000 0.447 473 D N 2.414 122.871 120.400 0.095 0.000 2.428 473 D HA 0.294 5.118 4.640 0.305 0.000 0.221 473 D C -0.439 175.951 176.300 0.150 0.000 1.123 473 D CA 0.064 54.147 54.000 0.138 0.000 0.869 473 D CB 0.809 41.704 40.800 0.157 0.000 1.032 473 D HN 0.238 nan 8.370 nan 0.000 0.506 474 T N -0.435 114.197 114.554 0.131 0.000 2.864 474 T HA 0.663 5.196 4.350 0.305 0.000 0.289 474 T C -0.053 174.706 174.700 0.098 0.000 1.082 474 T CA -0.792 61.373 62.100 0.107 0.000 1.009 474 T CB 0.909 69.822 68.868 0.076 0.000 1.234 474 T HN 0.028 nan 8.240 nan 0.000 0.526 475 V N 0.000 119.955 119.914 0.068 0.000 2.409 475 V HA 0.000 4.303 4.120 0.305 0.000 0.244 475 V CA 0.000 62.327 62.300 0.045 0.000 1.235 475 V CB 0.000 31.830 31.823 0.012 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556