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 1upm_1_H 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 0.000 177.596 177.584 0.020 0.000 1.274 9 A CA 0.000 52.045 52.037 0.013 0.000 0.836 9 A CB 0.000 19.006 19.000 0.010 0.000 0.831 10 S N -0.403 115.314 115.700 0.028 0.000 3.459 10 S HA 0.035 4.505 4.470 -0.001 0.000 0.622 10 S C -0.096 174.528 174.600 0.040 0.000 0.790 10 S CA 0.201 58.425 58.200 0.040 0.000 1.329 10 S CB -1.730 61.496 63.200 0.044 0.000 1.315 10 S HN 2.291 nan 8.310 nan 0.000 0.683 11 V N 2.344 122.287 119.914 0.048 0.000 2.713 11 V HA 0.824 4.944 4.120 -0.001 0.000 0.307 11 V C 0.852 176.991 176.094 0.074 0.000 1.052 11 V CA 0.457 62.786 62.300 0.048 0.000 0.967 11 V CB 1.295 33.140 31.823 0.038 0.000 1.019 11 V HN 1.761 nan 8.190 nan 0.000 0.459 12 E N 4.233 124.472 120.200 0.065 0.000 2.508 12 E HA 0.067 4.417 4.350 -0.001 0.000 0.266 12 E C -0.323 176.367 176.600 0.151 0.000 1.010 12 E CA 0.003 56.457 56.400 0.090 0.000 0.955 12 E CB 0.020 nan 29.700 nan 0.000 0.946 12 E HN 0.916 nan 8.360 nan 0.000 0.454 13 F N 2.014 121.987 119.950 0.038 0.000 2.543 13 F HA 0.412 4.938 4.527 -0.001 0.000 0.375 13 F C 0.307 176.125 175.800 0.030 0.000 1.075 13 F CA -0.330 57.704 58.000 0.056 0.000 1.225 13 F CB 1.045 40.101 39.000 0.093 0.000 1.099 13 F HN 0.333 nan 8.300 nan 0.000 0.561 14 K N 6.086 126.259 120.400 -0.379 0.000 2.507 14 K HA 0.630 4.950 4.320 -0.001 0.000 0.253 14 K C -0.977 175.186 176.600 -0.728 0.000 0.969 14 K CA -0.476 55.492 56.287 -0.533 0.000 0.908 14 K CB 0.867 33.241 32.500 -0.209 0.000 1.127 14 K HN 0.695 nan 8.250 nan 0.000 0.437 15 A N 2.711 124.940 122.820 -0.985 0.000 2.477 15 A HA 0.630 4.949 4.320 -0.001 0.000 0.246 15 A C 0.524 177.962 177.584 -0.243 0.000 1.078 15 A CA 0.909 52.612 52.037 -0.556 0.000 0.770 15 A CB -0.315 18.475 19.000 -0.350 0.000 1.011 15 A HN 1.078 nan 8.150 nan 0.000 0.494 16 G N -0.844 107.868 108.800 -0.146 0.000 2.361 16 G HA2 0.477 4.437 3.960 -0.001 0.000 0.331 16 G HA3 0.477 4.437 3.960 -0.001 0.000 0.331 16 G C -0.604 174.236 174.900 -0.102 0.000 1.324 16 G CA -0.101 44.940 45.100 -0.098 0.000 0.984 16 G HN 2.209 nan 8.290 nan 0.000 0.586 17 V N -0.419 119.460 119.914 -0.058 0.000 2.713 17 V HA 0.992 5.111 4.120 -0.001 0.000 0.307 17 V C 0.029 176.086 176.094 -0.060 0.000 1.052 17 V CA 0.425 62.687 62.300 -0.063 0.000 0.967 17 V CB 1.403 33.244 31.823 0.030 0.000 1.019 17 V HN 1.469 nan 8.190 nan 0.000 0.459 18 K N 2.092 122.437 120.400 -0.091 0.000 2.499 18 K HA 0.542 4.861 4.320 -0.001 0.000 0.277 18 K C -1.501 175.024 176.600 -0.125 0.000 1.025 18 K CA -0.938 55.304 56.287 -0.076 0.000 0.900 18 K CB 1.557 34.028 32.500 -0.049 0.000 1.494 18 K HN 0.517 nan 8.250 nan 0.000 0.442 19 D N 0.803 121.157 120.400 -0.076 0.000 2.414 19 D HA 0.073 4.712 4.640 -0.001 0.000 0.242 19 D C 0.676 176.964 176.300 -0.021 0.000 1.129 19 D CA 0.073 54.030 54.000 -0.072 0.000 0.885 19 D CB 0.265 41.062 40.800 -0.005 0.000 1.198 19 D HN 0.426 nan 8.370 nan 0.000 0.437 20 Y N 1.181 121.518 120.300 0.063 0.000 2.207 20 Y HA -0.217 4.332 4.550 -0.001 0.000 0.287 20 Y C 2.314 178.333 175.900 0.199 0.000 1.156 20 Y CA 1.245 59.424 58.100 0.132 0.000 1.182 20 Y CB -0.322 38.148 38.460 0.016 0.000 0.979 20 Y HN 0.466 nan 8.280 nan 0.000 0.521 21 K N 0.383 120.939 120.400 0.259 0.000 2.283 21 K HA -0.116 4.204 4.320 -0.001 0.000 0.202 21 K C 1.665 178.385 176.600 0.200 0.000 1.048 21 K CA 1.452 57.876 56.287 0.228 0.000 0.948 21 K CB -0.722 31.858 32.500 0.132 0.000 0.742 21 K HN 0.323 nan 8.250 nan 0.000 0.458 22 L N 1.325 122.632 121.223 0.141 0.000 2.129 22 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 22 L C 1.704 178.605 176.870 0.051 0.000 1.087 22 L CA 1.581 56.472 54.840 0.085 0.000 0.757 22 L CB -0.523 41.568 42.059 0.053 0.000 0.896 22 L HN 0.366 nan 8.230 nan 0.000 0.434 23 T N -3.372 111.217 114.554 0.059 0.000 2.999 23 T HA 0.057 4.406 4.350 -0.001 0.000 0.247 23 T C 0.940 175.464 174.700 -0.293 0.000 1.012 23 T CA 0.243 62.238 62.100 -0.175 0.000 1.048 23 T CB 0.165 68.836 68.868 -0.328 0.000 1.020 23 T HN 0.147 nan 8.240 nan 0.000 0.478 24 Y N -0.319 120.042 120.300 0.101 0.000 2.481 24 Y HA 0.428 4.979 4.550 0.001 0.000 0.247 24 Y C -0.048 175.927 175.900 0.124 0.000 1.151 24 Y CA -1.233 56.914 58.100 0.080 0.000 1.238 24 Y CB 0.529 39.036 38.460 0.079 0.000 1.179 24 Y HN 0.157 nan 8.280 nan 0.000 0.524 25 Y N 0.769 121.134 120.300 0.108 0.000 2.335 25 Y HA 0.530 5.080 4.550 0.000 0.000 0.339 25 Y C -0.193 175.739 175.900 0.053 0.000 0.987 25 Y CA -0.966 57.173 58.100 0.066 0.000 1.140 25 Y CB 1.379 39.865 38.460 0.044 0.000 1.173 25 Y HN -0.161 nan 8.280 nan 0.000 0.486 26 T N 9.544 123.863 114.554 -0.391 0.000 3.631 26 T HA 0.183 4.532 4.350 -0.001 0.000 0.256 26 T C -2.145 172.437 174.700 -0.197 0.000 1.187 26 T CA -0.791 61.162 62.100 -0.245 0.000 1.667 26 T CB 0.494 69.306 68.868 -0.092 0.000 0.804 26 T HN 0.503 nan 8.240 nan 0.000 0.639 27 P HA -0.005 nan 4.420 nan 0.000 0.225 27 P C 0.917 178.223 177.300 0.010 0.000 1.148 27 P CA 0.859 63.846 63.100 -0.189 0.000 0.779 27 P CB 0.432 31.960 31.700 -0.287 0.000 0.780 28 E N -1.412 118.784 120.200 -0.005 0.000 2.479 28 E HA -0.029 4.321 4.350 -0.001 0.000 0.193 28 E C 0.334 176.970 176.600 0.061 0.000 1.049 28 E CA -0.396 56.020 56.400 0.027 0.000 0.870 28 E CB -0.523 29.177 29.700 0.001 0.000 0.944 28 E HN 0.384 nan 8.360 nan 0.000 0.492 29 Y N 2.417 122.705 120.300 -0.020 0.000 2.425 29 Y HA 0.043 4.592 4.550 -0.002 0.000 0.331 29 Y C 0.083 175.931 175.900 -0.087 0.000 1.157 29 Y CA -0.071 58.002 58.100 -0.047 0.000 1.372 29 Y CB 0.502 38.942 38.460 -0.033 0.000 1.253 29 Y HN -0.196 nan 8.280 nan 0.000 0.536 30 E N 3.637 123.415 120.200 -0.704 0.000 2.197 30 E HA 0.193 4.542 4.350 -0.001 0.000 0.281 30 E C -0.399 175.572 176.600 -1.048 0.000 0.995 30 E CA -0.722 55.295 56.400 -0.639 0.000 0.808 30 E CB 0.875 30.342 29.700 -0.389 0.000 1.093 30 E HN 0.726 nan 8.360 nan 0.000 0.394 31 T N 0.881 115.026 114.554 -0.681 0.000 2.930 31 T HA 0.233 4.582 4.350 -0.001 0.000 0.306 31 T C 0.395 174.902 174.700 -0.323 0.000 1.045 31 T CA -0.571 61.235 62.100 -0.490 0.000 1.134 31 T CB 0.339 68.994 68.868 -0.354 0.000 0.961 31 T HN 0.246 nan 8.240 nan 0.000 0.545 32 L N 2.284 123.407 121.223 -0.166 0.000 2.418 32 L HA 0.292 4.631 4.340 -0.001 0.000 0.265 32 L C 1.096 177.933 176.870 -0.055 0.000 1.143 32 L CA -0.848 53.939 54.840 -0.088 0.000 0.809 32 L CB 0.423 42.475 42.059 -0.013 0.000 1.124 32 L HN 0.668 nan 8.230 nan 0.000 0.456 33 D N -0.284 120.089 120.400 -0.046 0.000 2.371 33 D HA -0.082 4.558 4.640 -0.001 0.000 0.221 33 D C 1.733 178.025 176.300 -0.013 0.000 0.986 33 D CA 0.970 54.951 54.000 -0.032 0.000 0.899 33 D CB 0.135 40.920 40.800 -0.026 0.000 0.902 33 D HN 0.711 nan 8.370 nan 0.000 0.530 34 T N -2.636 111.922 114.554 0.006 0.000 3.107 34 T HA 0.038 4.388 4.350 -0.001 0.000 0.249 34 T C 0.541 175.266 174.700 0.042 0.000 1.096 34 T CA -0.456 61.662 62.100 0.031 0.000 1.012 34 T CB 0.376 69.273 68.868 0.047 0.000 0.977 34 T HN -0.222 nan 8.240 nan 0.000 0.527 35 D N 1.681 122.104 120.400 0.039 0.000 2.382 35 D HA 0.356 4.996 4.640 -0.001 0.000 0.245 35 D C -0.175 176.141 176.300 0.027 0.000 1.120 35 D CA -0.549 53.498 54.000 0.078 0.000 0.890 35 D CB 0.739 41.596 40.800 0.095 0.000 1.201 35 D HN 0.142 nan 8.370 nan 0.000 0.433 36 I N 2.022 122.645 120.570 0.089 0.000 2.395 36 I HA 0.139 4.309 4.170 -0.001 0.000 0.289 36 I C 0.110 176.297 176.117 0.117 0.000 1.023 36 I CA -0.155 61.132 61.300 -0.022 0.000 1.350 36 I CB 0.463 38.325 38.000 -0.230 0.000 1.409 36 I HN 0.068 nan 8.210 nan 0.000 0.507 37 L N 6.077 127.245 121.223 -0.092 0.000 2.307 37 L HA 0.810 5.150 4.340 -0.001 0.000 0.284 37 L C -0.001 176.810 176.870 -0.097 0.000 1.023 37 L CA -0.770 54.024 54.840 -0.077 0.000 0.810 37 L CB 1.476 43.294 42.059 -0.402 0.000 1.231 37 L HN 0.674 nan 8.230 nan 0.000 0.423 38 A N 2.527 125.494 122.820 0.246 0.000 2.331 38 A HA 0.818 5.138 4.320 -0.001 0.000 0.320 38 A C -0.238 177.479 177.584 0.222 0.000 1.138 38 A CA -0.527 51.605 52.037 0.158 0.000 0.790 38 A CB 1.464 20.506 19.000 0.070 0.000 1.206 38 A HN 0.759 nan 8.150 nan 0.000 0.470 39 A N 2.384 125.258 122.820 0.089 0.000 2.294 39 A HA 0.662 4.981 4.320 -0.001 0.000 0.316 39 A C -0.972 176.352 177.584 -0.434 0.000 1.359 39 A CA -0.212 51.628 52.037 -0.328 0.000 0.956 39 A CB -0.512 18.127 19.000 -0.601 0.000 1.155 39 A HN 0.599 nan 8.150 nan 0.000 0.544 40 F N 1.473 121.283 119.950 -0.234 0.000 2.415 40 F HA 0.413 4.940 4.527 -0.001 0.000 0.348 40 F C 1.032 176.718 175.800 -0.190 0.000 1.119 40 F CA -0.367 57.522 58.000 -0.184 0.000 1.069 40 F CB 1.519 40.430 39.000 -0.148 0.000 1.124 40 F HN 0.581 nan 8.300 nan 0.000 0.472 41 R N 3.675 124.195 120.500 0.034 0.000 2.272 41 R HA 0.431 4.771 4.340 -0.001 0.000 0.334 41 R C -1.461 174.853 176.300 0.023 0.000 1.117 41 R CA -0.146 55.967 56.100 0.022 0.000 0.966 41 R CB 0.122 30.432 30.300 0.017 0.000 1.049 41 R HN 0.510 nan 8.270 nan 0.000 0.477 42 V N 3.433 123.364 119.914 0.028 0.000 2.398 42 V HA 0.260 4.379 4.120 -0.001 0.000 0.286 42 V C -0.203 175.916 176.094 0.042 0.000 1.026 42 V CA -0.549 61.749 62.300 -0.003 0.000 0.868 42 V CB 1.871 33.682 31.823 -0.021 0.000 0.982 42 V HN 0.695 nan 8.190 nan 0.000 0.443 43 S N 6.890 122.601 115.700 0.018 0.000 2.577 43 S HA 0.481 4.950 4.470 -0.001 0.000 0.294 43 S C -2.602 172.014 174.600 0.027 0.000 1.161 43 S CA -1.020 57.199 58.200 0.032 0.000 1.143 43 S CB 1.341 64.558 63.200 0.027 0.000 0.991 43 S HN 0.563 nan 8.310 nan 0.000 0.475 44 P HA 0.213 nan 4.420 nan 0.000 0.276 44 P C -0.253 177.053 177.300 0.010 0.000 1.252 44 P CA -0.641 62.464 63.100 0.009 0.000 0.802 44 P CB 0.508 32.215 31.700 0.012 0.000 1.035 45 Q N 0.993 120.788 119.800 -0.008 0.000 2.368 45 Q HA 0.232 4.572 4.340 -0.001 0.000 0.237 45 Q C -2.041 173.959 176.000 -0.001 0.000 0.987 45 Q CA -1.589 54.213 55.803 -0.003 0.000 0.896 45 Q CB -0.728 28.005 28.738 -0.008 0.000 1.241 45 Q HN 0.301 nan 8.270 nan 0.000 0.485 46 P HA -0.017 nan 4.420 nan 0.000 0.261 46 P C 0.431 177.729 177.300 -0.004 0.000 1.183 46 P CA 1.088 64.189 63.100 0.003 0.000 0.761 46 P CB 0.203 31.904 31.700 0.002 0.000 0.785 47 G N 1.520 110.318 108.800 -0.004 0.000 2.175 47 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.244 47 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.244 47 G C -0.067 174.818 174.900 -0.025 0.000 0.982 47 G CA -0.208 44.885 45.100 -0.012 0.000 0.641 47 G HN 0.516 nan 8.290 nan 0.000 0.527 48 V N 3.089 122.985 119.914 -0.031 0.000 2.333 48 V HA 0.464 4.584 4.120 -0.001 0.000 0.274 48 V C -1.399 174.652 176.094 -0.071 0.000 1.028 48 V CA -1.589 60.678 62.300 -0.056 0.000 0.851 48 V CB 1.304 33.084 31.823 -0.072 0.000 1.000 48 V HN 0.210 nan 8.190 nan 0.000 0.456 49 P HA 0.171 nan 4.420 nan 0.000 0.269 49 P C -2.029 175.128 177.300 -0.238 0.000 1.209 49 P CA -1.481 61.533 63.100 -0.143 0.000 0.776 49 P CB 0.276 31.895 31.700 -0.135 0.000 0.876 50 P HA -0.176 nan 4.420 nan 0.000 0.218 50 P C 1.015 178.012 177.300 -0.504 0.000 1.148 50 P CA 1.555 64.298 63.100 -0.594 0.000 0.822 50 P CB 0.123 31.057 31.700 -1.277 0.000 0.784 51 E N 0.067 119.954 120.200 -0.523 0.000 2.110 51 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 51 E C 2.085 178.443 176.600 -0.402 0.000 0.988 51 E CA 1.172 57.158 56.400 -0.690 0.000 0.804 51 E CB -0.749 28.461 29.700 -0.817 0.000 0.745 51 E HN 0.290 nan 8.360 nan 0.000 0.458 52 E N 0.267 120.314 120.200 -0.256 0.000 2.158 52 E HA 0.015 4.365 4.350 -0.001 0.000 0.191 52 E C 1.795 178.294 176.600 -0.169 0.000 0.982 52 E CA 1.013 57.334 56.400 -0.132 0.000 0.823 52 E CB -0.203 29.449 29.700 -0.080 0.000 0.766 52 E HN 0.217 nan 8.360 nan 0.000 0.468 53 A N 0.172 122.857 122.820 -0.225 0.000 1.873 53 A HA -0.024 4.296 4.320 -0.001 0.000 0.215 53 A C 2.437 179.857 177.584 -0.274 0.000 1.186 53 A CA 1.687 53.572 52.037 -0.254 0.000 0.616 53 A CB -1.286 17.587 19.000 -0.212 0.000 0.823 53 A HN 0.399 nan 8.150 nan 0.000 0.442 54 G N -0.688 107.962 108.800 -0.251 0.000 2.408 54 G HA2 0.059 4.019 3.960 -0.001 0.000 0.217 54 G HA3 0.059 4.019 3.960 -0.001 0.000 0.217 54 G C 1.708 176.517 174.900 -0.153 0.000 1.150 54 G CA 1.344 46.323 45.100 -0.201 0.000 0.776 54 G HN 0.772 nan 8.290 nan 0.000 0.542 55 A N 1.188 123.940 122.820 -0.113 0.000 1.898 55 A HA 0.303 4.623 4.320 -0.001 0.000 0.216 55 A C 2.806 180.239 177.584 -0.253 0.000 1.181 55 A CA 2.141 54.171 52.037 -0.012 0.000 0.620 55 A CB -0.751 18.323 19.000 0.125 0.000 0.819 55 A HN 0.713 nan 8.150 nan 0.000 0.442 56 A N -0.463 122.093 122.820 -0.441 0.000 1.877 56 A HA -0.017 4.303 4.320 -0.001 0.000 0.216 56 A C 2.241 179.503 177.584 -0.537 0.000 1.186 56 A CA 1.839 53.324 52.037 -0.920 0.000 0.620 56 A CB -1.038 17.412 19.000 -0.917 0.000 0.822 56 A HN 0.388 nan 8.150 nan 0.000 0.443 57 V N -0.065 119.627 119.914 -0.370 0.000 2.255 57 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 57 V C 3.083 179.038 176.094 -0.232 0.000 1.051 57 V CA 2.144 64.255 62.300 -0.315 0.000 1.018 57 V CB -1.329 30.161 31.823 -0.556 0.000 0.641 57 V HN 0.632 nan 8.190 nan 0.000 0.445 58 A N -0.146 122.555 122.820 -0.198 0.000 1.902 58 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 58 A C 2.424 179.912 177.584 -0.160 0.000 1.181 58 A CA 2.242 54.223 52.037 -0.093 0.000 0.623 58 A CB -0.849 18.145 19.000 -0.010 0.000 0.818 58 A HN 0.591 nan 8.150 nan 0.000 0.443 59 A N -0.373 122.137 122.820 -0.516 0.000 1.877 59 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 59 A C 1.976 179.318 177.584 -0.402 0.000 1.186 59 A CA 2.123 53.556 52.037 -1.007 0.000 0.620 59 A CB -0.407 17.757 19.000 -1.393 0.000 0.822 59 A HN 0.544 nan 8.150 nan 0.000 0.443 60 E N 0.367 120.411 120.200 -0.259 0.000 2.442 60 E HA -0.026 4.324 4.350 -0.001 0.000 0.195 60 E C 1.495 178.075 176.600 -0.035 0.000 1.030 60 E CA 1.024 57.365 56.400 -0.098 0.000 0.869 60 E CB -0.197 29.474 29.700 -0.049 0.000 0.857 60 E HN 0.580 nan 8.360 nan 0.000 0.505 61 S N -1.276 114.445 115.700 0.034 0.000 2.614 61 S HA 0.180 4.650 4.470 -0.001 0.000 0.230 61 S C 1.090 175.810 174.600 0.201 0.000 0.952 61 S CA 0.272 58.559 58.200 0.144 0.000 0.949 61 S CB 0.087 63.457 63.200 0.283 0.000 0.786 61 S HN 0.242 nan 8.310 nan 0.000 0.478 62 S N 0.932 116.712 115.700 0.133 0.000 4.948 62 S HA 0.136 4.605 4.470 -0.001 0.000 0.154 62 S C 1.209 175.861 174.600 0.086 0.000 1.026 62 S CA 0.551 58.843 58.200 0.153 0.000 1.308 62 S CB -0.205 63.156 63.200 0.268 0.000 1.915 62 S HN 0.586 nan 8.310 nan 0.000 0.680 63 T N -0.903 113.724 114.554 0.121 0.000 3.009 63 T HA 0.489 4.838 4.350 -0.001 0.000 0.267 63 T C 0.746 175.520 174.700 0.123 0.000 0.942 63 T CA 0.404 62.576 62.100 0.120 0.000 0.883 63 T CB 0.268 69.255 68.868 0.199 0.000 1.192 63 T HN 0.782 nan 8.240 nan 0.000 0.524 64 G N 0.372 109.213 108.800 0.068 0.000 2.410 64 G HA2 0.565 4.525 3.960 -0.001 0.000 0.330 64 G HA3 0.565 4.525 3.960 -0.001 0.000 0.330 64 G C -0.740 174.221 174.900 0.101 0.000 1.142 64 G CA -0.230 44.926 45.100 0.093 0.000 0.902 64 G HN 0.254 nan 8.290 nan 0.000 0.491 65 T N -0.736 113.902 114.554 0.141 0.000 2.633 65 T HA 0.442 4.792 4.350 -0.001 0.000 0.262 65 T C 0.694 175.538 174.700 0.241 0.000 0.920 65 T CA -0.456 61.764 62.100 0.199 0.000 1.062 65 T CB 0.744 69.684 68.868 0.121 0.000 1.390 65 T HN 0.674 nan 8.240 nan 0.000 0.549 66 W N 0.512 121.909 121.300 0.161 0.000 2.863 66 W HA 0.324 4.984 4.660 0.000 0.000 0.258 66 W C 0.370 176.878 176.519 -0.019 0.000 1.298 66 W CA 0.280 57.683 57.345 0.097 0.000 1.451 66 W CB -0.977 28.560 29.460 0.130 0.000 1.107 66 W HN 0.528 nan 8.180 nan 0.000 0.641 67 T N 0.979 115.062 114.554 -0.784 0.000 2.901 67 T HA 0.373 4.722 4.350 -0.001 0.000 0.293 67 T C -0.486 173.991 174.700 -0.371 0.000 1.084 67 T CA -0.268 61.407 62.100 -0.709 0.000 1.008 67 T CB 1.974 70.038 68.868 -1.339 0.000 1.170 67 T HN -0.226 nan 8.240 nan 0.000 0.509 68 T N 2.463 116.908 114.554 -0.182 0.000 2.814 68 T HA 0.472 4.822 4.350 -0.001 0.000 0.297 68 T C 0.079 174.858 174.700 0.132 0.000 0.956 68 T CA -0.400 61.705 62.100 0.008 0.000 1.123 68 T CB 0.197 69.108 68.868 0.072 0.000 0.902 68 T HN 0.646 nan 8.240 nan 0.000 0.528 69 V N 3.685 123.636 119.914 0.061 0.000 2.483 69 V HA 0.459 4.579 4.120 -0.001 0.000 0.295 69 V C 1.242 177.210 176.094 -0.209 0.000 1.035 69 V CA -1.117 61.144 62.300 -0.066 0.000 0.896 69 V CB 1.151 32.848 31.823 -0.209 0.000 0.986 69 V HN 1.048 nan 8.190 nan 0.000 0.447 70 W N 3.129 124.013 121.300 -0.692 0.000 2.392 70 W HA -0.121 4.538 4.660 -0.002 0.000 0.279 70 W C 1.440 177.728 176.519 -0.384 0.000 1.225 70 W CA 1.550 58.319 57.345 -0.961 0.000 1.233 70 W CB -1.619 26.959 29.460 -1.471 0.000 1.122 70 W HN 0.762 nan 8.180 nan 0.000 0.561 71 T N -1.447 112.457 114.554 -1.082 0.000 3.098 71 T HA -0.174 4.175 4.350 -0.001 0.000 0.266 71 T C 1.100 175.575 174.700 -0.376 0.000 1.145 71 T CA 1.406 62.946 62.100 -0.934 0.000 1.092 71 T CB -0.553 67.701 68.868 -1.024 0.000 0.908 71 T HN -0.067 nan 8.240 nan 0.000 0.526 72 D N 2.131 122.395 120.400 -0.227 0.000 2.182 72 D HA -0.041 4.599 4.640 -0.001 0.000 0.201 72 D C 2.262 178.545 176.300 -0.028 0.000 0.986 72 D CA 1.369 55.319 54.000 -0.084 0.000 0.847 72 D CB -0.813 39.976 40.800 -0.019 0.000 0.942 72 D HN 0.624 nan 8.370 nan 0.000 0.467 73 G N -0.013 108.787 108.800 -0.000 0.000 2.679 73 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.212 73 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.212 73 G C 1.553 176.481 174.900 0.046 0.000 1.137 73 G CA -0.036 45.094 45.100 0.049 0.000 0.787 73 G HN 0.268 nan 8.290 nan 0.000 0.534 74 L N 0.646 121.876 121.223 0.013 0.000 2.418 74 L HA 0.153 4.493 4.340 -0.001 0.000 0.218 74 L C 1.404 178.286 176.870 0.019 0.000 1.125 74 L CA 0.517 55.368 54.840 0.019 0.000 0.835 74 L CB -0.265 41.785 42.059 -0.015 0.000 0.953 74 L HN 0.159 nan 8.230 nan 0.000 0.454 75 T N -2.980 111.588 114.554 0.022 0.000 2.768 75 T HA 0.237 4.587 4.350 -0.001 0.000 0.268 75 T C -0.273 174.478 174.700 0.086 0.000 0.969 75 T CA -0.649 61.495 62.100 0.074 0.000 1.008 75 T CB 1.276 70.211 68.868 0.111 0.000 1.371 75 T HN -0.174 nan 8.240 nan 0.000 0.587 76 N N 0.969 119.752 118.700 0.138 0.000 2.707 76 N HA 0.203 4.942 4.740 -0.001 0.000 0.235 76 N C 0.426 175.986 175.510 0.083 0.000 1.028 76 N CA -0.582 52.505 53.050 0.061 0.000 0.906 76 N CB 0.671 39.147 38.487 -0.019 0.000 1.131 76 N HN 0.533 nan 8.380 nan 0.000 0.509 77 L N 2.797 124.059 121.223 0.064 0.000 2.079 77 L HA -0.070 4.270 4.340 -0.001 0.000 0.210 77 L C 1.178 178.047 176.870 -0.001 0.000 1.081 77 L CA 1.834 56.712 54.840 0.063 0.000 0.752 77 L CB -0.127 41.940 42.059 0.014 0.000 0.896 77 L HN 0.418 nan 8.230 nan 0.000 0.433 78 D N -0.694 119.674 120.400 -0.054 0.000 2.219 78 D HA -0.169 4.470 4.640 -0.001 0.000 0.205 78 D C 2.202 178.434 176.300 -0.114 0.000 0.970 78 D CA 1.151 55.096 54.000 -0.091 0.000 0.851 78 D CB -0.115 40.639 40.800 -0.078 0.000 0.943 78 D HN 0.536 nan 8.370 nan 0.000 0.488 79 R N -0.578 119.814 120.500 -0.181 0.000 2.200 79 R HA -0.053 4.286 4.340 -0.001 0.000 0.208 79 R C 1.120 177.203 176.300 -0.362 0.000 1.033 79 R CA 0.790 56.707 56.100 -0.305 0.000 1.000 79 R CB -0.298 29.744 30.300 -0.430 0.000 0.906 79 R HN 0.186 nan 8.270 nan 0.000 0.462 80 Y N 2.168 122.456 120.300 -0.019 0.000 2.524 80 Y HA 0.163 4.713 4.550 0.000 0.000 0.270 80 Y C 0.384 176.286 175.900 0.004 0.000 1.094 80 Y CA -0.349 57.744 58.100 -0.011 0.000 1.276 80 Y CB 0.164 38.616 38.460 -0.014 0.000 1.130 80 Y HN 0.008 nan 8.280 nan 0.000 0.536 81 K N 1.400 121.872 120.400 0.121 0.000 2.489 81 K HA 0.222 4.542 4.320 -0.001 0.000 0.278 81 K C 0.606 177.258 176.600 0.087 0.000 1.000 81 K CA 0.306 56.669 56.287 0.127 0.000 1.012 81 K CB 0.479 32.958 32.500 -0.035 0.000 0.903 81 K HN 0.156 nan 8.250 nan 0.000 0.485 82 G N 2.466 111.364 108.800 0.164 0.000 2.606 82 G HA2 0.270 4.230 3.960 -0.001 0.000 0.252 82 G HA3 0.270 4.230 3.960 -0.001 0.000 0.252 82 G C -0.670 174.235 174.900 0.009 0.000 1.206 82 G CA -0.975 44.113 45.100 -0.020 0.000 0.861 82 G HN 0.844 nan 8.290 nan 0.000 0.561 83 R N -0.414 120.016 120.500 -0.117 0.000 2.535 83 R HA 0.352 4.691 4.340 -0.001 0.000 0.274 83 R C -1.605 174.741 176.300 0.077 0.000 1.090 83 R CA -0.759 55.326 56.100 -0.025 0.000 0.930 83 R CB 0.486 30.666 30.300 -0.201 0.000 1.223 83 R HN 0.514 nan 8.270 nan 0.000 0.441 84 C N 5.337 124.724 119.300 0.144 0.000 2.442 84 C HA 0.324 4.783 4.460 -0.001 0.000 0.362 84 C C 0.763 175.900 174.990 0.245 0.000 1.242 84 C CA -0.388 58.742 59.018 0.187 0.000 1.741 84 C CB -1.529 26.332 27.740 0.202 0.000 2.378 84 C HN 0.920 nan 8.230 nan 0.000 0.549 85 Y N 2.905 123.341 120.300 0.227 0.000 2.445 85 Y HA 0.481 5.030 4.550 -0.001 0.000 0.247 85 Y C 0.642 176.726 175.900 0.306 0.000 1.129 85 Y CA -0.254 57.971 58.100 0.208 0.000 1.251 85 Y CB -0.409 38.215 38.460 0.273 0.000 1.176 85 Y HN 0.787 nan 8.280 nan 0.000 0.522 86 H N 0.309 119.300 119.070 -0.132 0.000 3.123 86 H HA 0.506 5.062 4.556 -0.001 0.000 0.346 86 H C -2.031 173.389 175.328 0.154 0.000 1.138 86 H CA -0.851 55.206 56.048 0.014 0.000 1.273 86 H CB 1.928 31.616 29.762 -0.123 0.000 1.926 86 H HN 0.132 nan 8.280 nan 0.000 0.524 87 I N 4.127 124.453 120.570 -0.407 0.000 2.447 87 I HA 0.186 4.356 4.170 -0.001 0.000 0.287 87 I C -0.483 175.436 176.117 -0.331 0.000 1.023 87 I CA -0.424 60.730 61.300 -0.242 0.000 1.083 87 I CB 2.088 39.985 38.000 -0.172 0.000 1.245 87 I HN 0.494 nan 8.210 nan 0.000 0.434 88 E N 9.226 129.392 120.200 -0.057 0.000 2.199 88 E HA 0.511 4.860 4.350 -0.001 0.000 0.265 88 E C -2.715 173.990 176.600 0.177 0.000 0.882 88 E CA -2.087 54.356 56.400 0.072 0.000 0.759 88 E CB 2.447 32.273 29.700 0.210 0.000 1.148 88 E HN 0.167 nan 8.360 nan 0.000 0.412 89 P HA 0.065 nan 4.420 nan 0.000 0.275 89 P C -0.467 176.831 177.300 -0.003 0.000 1.228 89 P CA -0.413 62.743 63.100 0.095 0.000 0.786 89 P CB 1.117 32.867 31.700 0.083 0.000 0.927 90 V N 2.570 122.418 119.914 -0.109 0.000 2.432 90 V HA 0.348 4.468 4.120 -0.001 0.000 0.275 90 V C 0.874 176.930 176.094 -0.062 0.000 1.043 90 V CA -0.669 61.594 62.300 -0.063 0.000 0.925 90 V CB 0.658 32.437 31.823 -0.073 0.000 0.985 90 V HN 0.683 nan 8.190 nan 0.000 0.466 91 A N 4.124 126.929 122.820 -0.026 0.000 2.492 91 A HA 0.548 4.868 4.320 -0.001 0.000 0.254 91 A C 1.378 178.948 177.584 -0.024 0.000 1.091 91 A CA 0.581 52.606 52.037 -0.021 0.000 0.768 91 A CB -0.352 18.644 19.000 -0.007 0.000 1.028 91 A HN 2.105 nan 8.150 nan 0.000 0.498 92 G N 1.418 110.201 108.800 -0.028 0.000 2.141 92 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.231 92 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.231 92 G C -0.206 174.674 174.900 -0.034 0.000 0.984 92 G CA 0.275 45.362 45.100 -0.023 0.000 0.660 92 G HN 0.764 nan 8.290 nan 0.000 0.525 93 E N 1.035 121.200 120.200 -0.059 0.000 2.246 93 E HA 0.343 4.693 4.350 -0.001 0.000 0.266 93 E C -0.119 176.413 176.600 -0.113 0.000 0.880 93 E CA -0.681 55.671 56.400 -0.080 0.000 0.762 93 E CB 1.467 31.109 29.700 -0.097 0.000 1.180 93 E HN 0.525 nan 8.360 nan 0.000 0.416 94 E N 2.754 122.901 120.200 -0.088 0.000 2.257 94 E HA 0.057 4.407 4.350 -0.001 0.000 0.278 94 E C 0.080 176.604 176.600 -0.127 0.000 1.049 94 E CA -0.433 55.914 56.400 -0.089 0.000 0.876 94 E CB 0.312 29.984 29.700 -0.046 0.000 1.035 94 E HN 0.413 nan 8.360 nan 0.000 0.419 95 N N 1.638 120.230 118.700 -0.179 0.000 2.740 95 N HA -0.249 4.491 4.740 -0.001 0.000 0.248 95 N C -1.253 174.102 175.510 -0.259 0.000 1.062 95 N CA 1.228 54.178 53.050 -0.168 0.000 0.704 95 N CB -0.801 37.675 38.487 -0.018 0.000 0.968 95 N HN 0.773 nan 8.380 nan 0.000 0.547 96 Q N 0.573 120.058 119.800 -0.524 0.000 2.305 96 Q HA 0.483 4.822 4.340 -0.001 0.000 0.271 96 Q C -1.544 174.091 176.000 -0.607 0.000 1.046 96 Q CA -0.683 54.890 55.803 -0.383 0.000 0.798 96 Q CB 1.065 29.701 28.738 -0.169 0.000 1.286 96 Q HN 0.262 nan 8.270 nan 0.000 0.435 97 Y N 2.255 122.539 120.300 -0.026 0.000 2.512 97 Y HA 0.447 4.997 4.550 0.000 0.000 0.348 97 Y C -0.185 175.696 175.900 -0.032 0.000 0.990 97 Y CA -1.229 56.852 58.100 -0.030 0.000 1.033 97 Y CB 1.458 39.885 38.460 -0.056 0.000 1.259 97 Y HN 0.473 nan 8.280 nan 0.000 0.461 98 I N 2.745 123.389 120.570 0.124 0.000 2.363 98 I HA 0.122 4.292 4.170 -0.001 0.000 0.292 98 I C -0.328 175.778 176.117 -0.017 0.000 1.075 98 I CA -0.612 60.695 61.300 0.012 0.000 1.333 98 I CB -0.489 37.513 38.000 0.003 0.000 1.415 98 I HN 0.583 nan 8.210 nan 0.000 0.502 99 C N 7.409 126.680 119.300 -0.049 0.000 2.295 99 C HA 0.456 4.916 4.460 -0.001 0.000 0.331 99 C C 0.039 174.993 174.990 -0.060 0.000 1.280 99 C CA -0.724 58.283 59.018 -0.019 0.000 1.746 99 C CB -0.321 27.413 27.740 -0.011 0.000 2.328 99 C HN 0.506 nan 8.230 nan 0.000 0.521 100 Y N 1.770 122.053 120.300 -0.028 0.000 2.328 100 Y HA 0.568 5.118 4.550 -0.000 0.000 0.337 100 Y C 0.294 176.086 175.900 -0.179 0.000 1.008 100 Y CA -0.346 57.697 58.100 -0.096 0.000 1.129 100 Y CB 0.959 39.203 38.460 -0.360 0.000 1.185 100 Y HN 0.418 nan 8.280 nan 0.000 0.476 101 V N 3.006 123.089 119.914 0.282 0.000 2.656 101 V HA 0.826 4.946 4.120 -0.001 0.000 0.307 101 V C -0.448 175.804 176.094 0.263 0.000 1.051 101 V CA -1.034 61.399 62.300 0.222 0.000 0.893 101 V CB 1.742 33.644 31.823 0.132 0.000 0.999 101 V HN 0.841 nan 8.190 nan 0.000 0.426 102 A N 4.049 126.957 122.820 0.147 0.000 2.330 102 A HA 0.894 5.214 4.320 -0.001 0.000 0.327 102 A C -1.584 175.893 177.584 -0.177 0.000 1.155 102 A CA -0.408 51.680 52.037 0.084 0.000 0.803 102 A CB 0.837 19.911 19.000 0.123 0.000 1.208 102 A HN 0.753 nan 8.150 nan 0.000 0.477 103 Y N 1.940 122.355 120.300 0.193 0.000 2.338 103 Y HA 0.432 4.982 4.550 0.001 0.000 0.333 103 Y C -2.431 173.593 175.900 0.207 0.000 0.968 103 Y CA -2.442 55.783 58.100 0.207 0.000 1.123 103 Y CB 1.866 40.547 38.460 0.369 0.000 1.165 103 Y HN 0.482 nan 8.280 nan 0.000 0.452 104 P HA -0.053 nan 4.420 nan 0.000 0.266 104 P C 0.866 178.312 177.300 0.243 0.000 1.195 104 P CA -0.126 63.088 63.100 0.190 0.000 0.768 104 P CB 0.931 32.698 31.700 0.113 0.000 0.838 105 L N 3.147 124.494 121.223 0.206 0.000 2.089 105 L HA -0.237 4.102 4.340 -0.001 0.000 0.213 105 L C 1.278 178.272 176.870 0.207 0.000 1.079 105 L CA 2.114 57.082 54.840 0.214 0.000 0.758 105 L CB -1.099 41.045 42.059 0.141 0.000 0.891 105 L HN 0.291 nan 8.230 nan 0.000 0.433 106 D N -1.139 119.352 120.400 0.152 0.000 2.348 106 D HA -0.072 4.567 4.640 -0.001 0.000 0.216 106 D C 2.160 178.481 176.300 0.036 0.000 0.970 106 D CA 0.677 54.760 54.000 0.139 0.000 0.889 106 D CB -0.030 40.911 40.800 0.235 0.000 0.912 106 D HN 0.394 nan 8.370 nan 0.000 0.524 107 L N -0.788 120.357 121.223 -0.131 0.000 2.313 107 L HA 0.042 4.381 4.340 -0.001 0.000 0.214 107 L C 0.202 176.706 176.870 -0.610 0.000 1.119 107 L CA 0.318 54.893 54.840 -0.442 0.000 0.809 107 L CB -0.058 41.584 42.059 -0.695 0.000 0.933 107 L HN -0.100 nan 8.230 nan 0.000 0.449 108 F N -0.123 119.799 119.950 -0.047 0.000 2.422 108 F HA 0.282 4.808 4.527 -0.001 0.000 0.333 108 F C 0.683 176.526 175.800 0.072 0.000 1.095 108 F CA -1.207 56.760 58.000 -0.055 0.000 1.038 108 F CB 0.859 39.653 39.000 -0.343 0.000 1.156 108 F HN -0.177 nan 8.300 nan 0.000 0.483 109 E N 1.795 122.168 120.200 0.288 0.000 2.290 109 E HA 0.143 4.493 4.350 -0.001 0.000 0.277 109 E C -0.774 175.978 176.600 0.253 0.000 1.035 109 E CA -0.613 55.907 56.400 0.200 0.000 0.873 109 E CB 0.519 30.281 29.700 0.104 0.000 1.029 109 E HN 0.477 nan 8.360 nan 0.000 0.419 110 E N 2.572 122.855 120.200 0.138 0.000 2.502 110 E HA 0.144 4.494 4.350 -0.001 0.000 0.261 110 E C 1.035 177.413 176.600 -0.371 0.000 0.974 110 E CA 1.409 57.771 56.400 -0.063 0.000 0.936 110 E CB 0.452 30.109 29.700 -0.071 0.000 0.926 110 E HN 0.820 nan 8.360 nan 0.000 0.459 111 G N 2.277 110.465 108.800 -1.019 0.000 2.189 111 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.267 111 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.267 111 G C 0.471 174.913 174.900 -0.764 0.000 0.975 111 G CA 0.527 44.867 45.100 -1.267 0.000 0.644 111 G HN 0.573 nan 8.290 nan 0.000 0.537 112 S N -0.076 115.427 115.700 -0.328 0.000 2.528 112 S HA 0.538 5.007 4.470 -0.001 0.000 0.303 112 S C 1.618 176.291 174.600 0.123 0.000 1.123 112 S CA 0.131 58.324 58.200 -0.012 0.000 1.138 112 S CB 1.075 64.292 63.200 0.028 0.000 0.984 112 S HN 0.557 nan 8.310 nan 0.000 0.474 113 V N 4.822 124.776 119.914 0.067 0.000 2.287 113 V HA -0.177 3.943 4.120 -0.001 0.000 0.248 113 V C 2.605 178.447 176.094 -0.420 0.000 1.053 113 V CA 2.590 64.676 62.300 -0.356 0.000 1.027 113 V CB -1.220 30.088 31.823 -0.858 0.000 0.646 113 V HN 0.838 nan 8.190 nan 0.000 0.447 114 T N 0.256 114.690 114.554 -0.200 0.000 2.620 114 T HA -0.333 4.017 4.350 -0.001 0.000 0.267 114 T C 1.899 176.626 174.700 0.045 0.000 1.044 114 T CA 2.192 64.284 62.100 -0.012 0.000 1.161 114 T CB -0.586 68.328 68.868 0.076 0.000 0.862 114 T HN 0.610 nan 8.240 nan 0.000 0.438 115 N N 0.368 119.111 118.700 0.072 0.000 2.188 115 N HA -0.061 4.678 4.740 -0.001 0.000 0.184 115 N C 2.069 177.698 175.510 0.197 0.000 1.018 115 N CA 1.115 54.242 53.050 0.129 0.000 0.858 115 N CB -0.219 38.355 38.487 0.145 0.000 0.989 115 N HN 0.448 nan 8.380 nan 0.000 0.426 116 M N -0.162 119.550 119.600 0.186 0.000 2.077 116 M HA -0.151 4.328 4.480 -0.001 0.000 0.261 116 M C 1.502 177.945 176.300 0.237 0.000 1.070 116 M CA 1.462 56.878 55.300 0.194 0.000 1.125 116 M CB -0.196 32.393 32.600 -0.019 0.000 1.339 116 M HN -0.023 nan 8.290 nan 0.000 0.409 117 F N 0.824 120.766 119.950 -0.013 0.000 2.126 117 F HA -0.193 4.334 4.527 -0.001 0.000 0.299 117 F C 2.598 178.415 175.800 0.029 0.000 1.096 117 F CA 1.745 59.739 58.000 -0.011 0.000 1.255 117 F CB -1.970 37.009 39.000 -0.034 0.000 0.997 117 F HN 0.234 nan 8.300 nan 0.000 0.479 118 T N -0.754 113.934 114.554 0.224 0.000 2.684 118 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 118 T C 2.394 177.158 174.700 0.106 0.000 1.036 118 T CA 1.813 63.994 62.100 0.136 0.000 1.148 118 T CB -0.521 68.406 68.868 0.098 0.000 0.863 118 T HN 0.167 nan 8.240 nan 0.000 0.436 119 S N 0.754 116.513 115.700 0.100 0.000 2.343 119 S HA 0.028 4.498 4.470 -0.001 0.000 0.219 119 S C 2.051 176.696 174.600 0.075 0.000 1.033 119 S CA 1.012 59.239 58.200 0.044 0.000 1.014 119 S CB -0.379 62.794 63.200 -0.045 0.000 0.915 119 S HN 0.402 nan 8.310 nan 0.000 0.435 120 I N 0.309 120.931 120.570 0.088 0.000 2.546 120 I HA -0.013 4.157 4.170 -0.001 0.000 0.255 120 I C 1.233 177.554 176.117 0.339 0.000 1.163 120 I CA 0.847 62.232 61.300 0.141 0.000 1.457 120 I CB 0.130 38.153 38.000 0.039 0.000 1.092 120 I HN 0.123 nan 8.210 nan 0.000 0.434 121 V N 0.036 120.090 119.914 0.233 0.000 3.252 121 V HA 0.253 4.373 4.120 -0.001 0.000 0.320 121 V C 1.680 177.843 176.094 0.116 0.000 1.459 121 V CA 0.471 62.912 62.300 0.235 0.000 1.095 121 V CB 0.672 32.455 31.823 -0.068 0.000 0.997 121 V HN 0.390 nan 8.190 nan 0.000 0.469 122 G N 0.976 109.849 108.800 0.121 0.000 2.424 122 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.214 122 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.214 122 G C 1.145 176.074 174.900 0.047 0.000 1.202 122 G CA 1.054 46.192 45.100 0.063 0.000 0.793 122 G HN 0.531 nan 8.290 nan 0.000 0.534 123 N N -0.484 118.236 118.700 0.034 0.000 2.297 123 N HA 0.010 4.750 4.740 -0.001 0.000 0.208 123 N C 2.218 177.671 175.510 -0.096 0.000 1.176 123 N CA 0.853 53.874 53.050 -0.050 0.000 0.882 123 N CB 0.436 38.844 38.487 -0.133 0.000 1.134 123 N HN 0.278 nan 8.380 nan 0.000 0.489 124 V N -1.202 118.695 119.914 -0.028 0.000 2.626 124 V HA -0.028 4.091 4.120 -0.001 0.000 0.252 124 V C 1.558 177.649 176.094 -0.005 0.000 1.067 124 V CA 1.206 63.442 62.300 -0.107 0.000 1.081 124 V CB -1.202 30.556 31.823 -0.108 0.000 0.686 124 V HN -0.078 nan 8.190 nan 0.000 0.468 125 F N 2.514 122.445 119.950 -0.032 0.000 2.722 125 F HA 0.297 4.824 4.527 -0.000 0.000 0.298 125 F C 2.158 178.014 175.800 0.093 0.000 1.175 125 F CA 0.974 58.995 58.000 0.034 0.000 1.462 125 F CB -0.728 38.285 39.000 0.022 0.000 1.111 125 F HN 0.365 nan 8.300 nan 0.000 0.592 126 G N -1.876 107.021 108.800 0.162 0.000 3.377 126 G HA2 0.065 4.024 3.960 -0.001 0.000 0.257 126 G HA3 0.065 4.024 3.960 -0.001 0.000 0.257 126 G C 0.081 175.032 174.900 0.085 0.000 1.038 126 G CA -0.204 44.959 45.100 0.105 0.000 0.809 126 G HN -0.020 nan 8.290 nan 0.000 0.526 127 F N 1.841 121.800 119.950 0.016 0.000 2.608 127 F HA 0.157 4.684 4.527 -0.000 0.000 0.380 127 F C 1.793 177.590 175.800 -0.005 0.000 1.083 127 F CA 0.039 58.032 58.000 -0.012 0.000 1.266 127 F CB 1.010 39.975 39.000 -0.058 0.000 1.076 127 F HN -0.022 nan 8.300 nan 0.000 0.574 128 K N 2.942 123.501 120.400 0.265 0.000 2.103 128 K HA -0.171 4.149 4.320 -0.001 0.000 0.207 128 K C 1.980 178.625 176.600 0.075 0.000 1.048 128 K CA 1.380 57.744 56.287 0.127 0.000 0.930 128 K CB -0.164 32.391 32.500 0.091 0.000 0.716 128 K HN 0.706 nan 8.250 nan 0.000 0.444 129 A N 0.967 123.809 122.820 0.036 0.000 2.172 129 A HA -0.003 4.317 4.320 -0.001 0.000 0.216 129 A C 0.808 178.358 177.584 -0.057 0.000 1.154 129 A CA 0.730 52.730 52.037 -0.061 0.000 0.701 129 A CB -0.290 18.594 19.000 -0.193 0.000 0.789 129 A HN 0.108 nan 8.150 nan 0.000 0.465 130 L N -1.791 119.430 121.223 -0.003 0.000 2.331 130 L HA 0.441 4.780 4.340 -0.001 0.000 0.275 130 L C 1.267 178.159 176.870 0.038 0.000 1.022 130 L CA -0.720 54.120 54.840 0.000 0.000 0.812 130 L CB 1.499 43.556 42.059 -0.003 0.000 1.257 130 L HN 0.119 nan 8.230 nan 0.000 0.435 131 R N 1.145 121.666 120.500 0.036 0.000 2.189 131 R HA 0.393 4.732 4.340 -0.001 0.000 0.203 131 R C -0.015 176.340 176.300 0.092 0.000 1.012 131 R CA 0.475 56.604 56.100 0.049 0.000 1.015 131 R CB 0.529 30.848 30.300 0.033 0.000 0.938 131 R HN 0.736 nan 8.270 nan 0.000 0.472 132 A N 0.467 123.356 122.820 0.115 0.000 2.605 132 A HA 0.588 4.908 4.320 -0.001 0.000 0.294 132 A C -2.134 175.508 177.584 0.096 0.000 1.062 132 A CA -0.633 51.552 52.037 0.246 0.000 0.682 132 A CB 1.604 20.734 19.000 0.217 0.000 1.278 132 A HN 0.029 nan 8.150 nan 0.000 0.410 133 L N 0.644 121.865 121.223 -0.003 0.000 2.526 133 L HA 0.759 5.098 4.340 -0.001 0.000 0.263 133 L C -0.652 176.068 176.870 -0.250 0.000 0.943 133 L CA -0.090 54.569 54.840 -0.303 0.000 0.859 133 L CB 1.907 43.529 42.059 -0.729 0.000 1.313 133 L HN 0.835 nan 8.230 nan 0.000 0.406 134 R N 4.151 124.629 120.500 -0.037 0.000 2.532 134 R HA 0.575 4.915 4.340 -0.001 0.000 0.297 134 R C -1.753 174.630 176.300 0.139 0.000 0.984 134 R CA -0.906 55.266 56.100 0.121 0.000 0.884 134 R CB 1.732 32.086 30.300 0.090 0.000 1.182 134 R HN 0.676 nan 8.270 nan 0.000 0.442 135 L N 4.551 125.895 121.223 0.202 0.000 2.278 135 L HA 0.226 4.566 4.340 -0.001 0.000 0.287 135 L C 0.751 177.555 176.870 -0.110 0.000 1.072 135 L CA 0.527 55.326 54.840 -0.068 0.000 0.819 135 L CB 1.090 43.091 42.059 -0.098 0.000 1.176 135 L HN 0.706 nan 8.230 nan 0.000 0.435 136 E N 2.315 122.357 120.200 -0.264 0.000 2.166 136 E HA 0.092 4.442 4.350 -0.001 0.000 0.192 136 E C -0.242 176.180 176.600 -0.297 0.000 0.967 136 E CA 0.492 56.700 56.400 -0.321 0.000 0.840 136 E CB 0.424 29.676 29.700 -0.747 0.000 0.795 136 E HN 0.689 nan 8.360 nan 0.000 0.470 137 D N -1.056 119.180 120.400 -0.274 0.000 2.648 137 D HA 0.394 5.034 4.640 -0.001 0.000 0.244 137 D C -1.527 174.868 176.300 0.158 0.000 1.244 137 D CA -0.463 53.522 54.000 -0.025 0.000 0.772 137 D CB 1.423 42.231 40.800 0.014 0.000 1.379 137 D HN -0.150 nan 8.370 nan 0.000 0.428 138 L N 1.289 122.621 121.223 0.181 0.000 2.408 138 L HA 0.507 4.847 4.340 -0.001 0.000 0.268 138 L C -0.267 176.525 176.870 -0.130 0.000 0.986 138 L CA -0.916 53.930 54.840 0.010 0.000 0.820 138 L CB 2.252 44.285 42.059 -0.042 0.000 1.303 138 L HN 0.175 nan 8.230 nan 0.000 0.411 139 R N 3.958 124.125 120.500 -0.554 0.000 2.204 139 R HA 0.478 4.818 4.340 -0.001 0.000 0.341 139 R C -1.066 175.036 176.300 -0.331 0.000 1.035 139 R CA -0.407 55.392 56.100 -0.503 0.000 0.887 139 R CB 0.282 30.108 30.300 -0.791 0.000 1.114 139 R HN 0.559 nan 8.270 nan 0.000 0.473 140 I N 7.932 128.325 120.570 -0.295 0.000 2.304 140 I HA 0.255 4.424 4.170 -0.001 0.000 0.291 140 I C -1.737 174.247 176.117 -0.222 0.000 1.018 140 I CA -2.066 59.081 61.300 -0.255 0.000 1.260 140 I CB 1.734 39.569 38.000 -0.277 0.000 1.390 140 I HN 0.319 nan 8.210 nan 0.000 0.475 141 P HA 0.009 nan 4.420 nan 0.000 0.275 141 P C 0.987 178.268 177.300 -0.032 0.000 1.228 141 P CA -0.239 62.816 63.100 -0.075 0.000 0.786 141 P CB 1.353 33.034 31.700 -0.031 0.000 0.927 142 V N 0.319 120.214 119.914 -0.033 0.000 2.626 142 V HA -0.172 3.947 4.120 -0.001 0.000 0.252 142 V C 2.287 178.409 176.094 0.046 0.000 1.067 142 V CA 1.901 64.195 62.300 -0.009 0.000 1.081 142 V CB -2.174 29.648 31.823 -0.003 0.000 0.686 142 V HN 0.521 nan 8.190 nan 0.000 0.468 143 A N -0.842 122.017 122.820 0.064 0.000 2.019 143 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 143 A C 2.133 179.820 177.584 0.172 0.000 1.164 143 A CA 1.938 54.034 52.037 0.097 0.000 0.644 143 A CB -0.766 18.288 19.000 0.089 0.000 0.805 143 A HN 0.702 nan 8.150 nan 0.000 0.449 144 Y N -0.318 120.008 120.300 0.042 0.000 2.314 144 Y HA -0.010 4.540 4.550 0.000 0.000 0.294 144 Y C 2.455 178.481 175.900 0.209 0.000 1.119 144 Y CA 1.116 59.277 58.100 0.102 0.000 1.179 144 Y CB -0.250 38.234 38.460 0.040 0.000 1.025 144 Y HN 0.139 nan 8.280 nan 0.000 0.541 145 V N 0.728 120.717 119.914 0.125 0.000 2.392 145 V HA -0.249 3.870 4.120 -0.001 0.000 0.249 145 V C 1.972 178.167 176.094 0.167 0.000 1.059 145 V CA 2.179 64.533 62.300 0.090 0.000 1.051 145 V CB -0.387 31.449 31.823 0.022 0.000 0.658 145 V HN 0.246 nan 8.190 nan 0.000 0.455 146 K N 1.000 121.466 120.400 0.110 0.000 2.442 146 K HA -0.033 4.286 4.320 -0.001 0.000 0.198 146 K C 2.014 178.635 176.600 0.034 0.000 1.042 146 K CA 1.475 57.808 56.287 0.077 0.000 0.958 146 K CB -0.849 31.682 32.500 0.052 0.000 0.766 146 K HN 0.848 nan 8.250 nan 0.000 0.474 147 T N -1.924 112.622 114.554 -0.014 0.000 3.148 147 T HA 0.104 4.454 4.350 -0.001 0.000 0.253 147 T C 0.420 174.886 174.700 -0.390 0.000 1.134 147 T CA -0.117 61.855 62.100 -0.214 0.000 1.051 147 T CB -0.340 68.325 68.868 -0.339 0.000 0.959 147 T HN -0.144 nan 8.240 nan 0.000 0.525 148 F N 0.711 120.577 119.950 -0.141 0.000 2.538 148 F HA 0.473 4.999 4.527 -0.001 0.000 0.325 148 F C 1.442 177.209 175.800 -0.054 0.000 1.066 148 F CA -1.273 56.667 58.000 -0.099 0.000 0.946 148 F CB 2.117 41.050 39.000 -0.112 0.000 1.199 148 F HN -0.145 nan 8.300 nan 0.000 0.473 149 Q N 2.125 122.011 119.800 0.143 0.000 2.172 149 Q HA 0.192 4.531 4.340 -0.001 0.000 0.200 149 Q C 1.092 177.134 176.000 0.070 0.000 0.964 149 Q CA 1.109 56.944 55.803 0.054 0.000 0.855 149 Q CB -0.066 28.666 28.738 -0.009 0.000 0.918 149 Q HN 1.008 nan 8.270 nan 0.000 0.444 150 G N 0.739 109.606 108.800 0.112 0.000 2.645 150 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.246 150 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.246 150 G C -2.453 172.434 174.900 -0.022 0.000 1.322 150 G CA -0.323 44.788 45.100 0.018 0.000 0.898 150 G HN 0.342 nan 8.290 nan 0.000 0.573 151 P HA 0.186 nan 4.420 nan 0.000 0.266 151 P C -1.701 175.532 177.300 -0.112 0.000 1.193 151 P CA -0.487 62.562 63.100 -0.084 0.000 0.770 151 P CB 0.281 31.930 31.700 -0.086 0.000 0.836 152 P HA -0.162 nan 4.420 nan 0.000 0.216 152 P C 0.886 177.773 177.300 -0.687 0.000 1.150 152 P CA 1.910 64.783 63.100 -0.379 0.000 0.837 152 P CB 0.057 31.555 31.700 -0.337 0.000 0.786 153 H N -3.420 115.637 119.070 -0.022 0.000 2.027 153 H HA 0.369 4.924 4.556 -0.000 0.000 0.209 153 H C 1.100 176.423 175.328 -0.009 0.000 0.903 153 H CA 1.104 57.144 56.048 -0.012 0.000 1.078 153 H CB 0.035 29.792 29.762 -0.008 0.000 1.248 153 H HN 0.053 nan 8.280 nan 0.000 0.432 154 G N 0.968 109.828 108.800 0.100 0.000 2.699 154 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.686 154 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.686 154 G C 0.783 175.726 174.900 0.071 0.000 1.301 154 G CA -0.066 45.060 45.100 0.044 0.000 0.816 154 G HN 0.218 nan 8.290 nan 0.000 0.595 155 I N 0.268 120.866 120.570 0.046 0.000 2.151 155 I HA -0.294 3.876 4.170 -0.001 0.000 0.243 155 I C 2.934 179.094 176.117 0.071 0.000 1.080 155 I CA 2.444 63.777 61.300 0.055 0.000 1.339 155 I CB -0.227 37.795 38.000 0.036 0.000 1.039 155 I HN 0.784 nan 8.210 nan 0.000 0.409 156 Q N 1.021 120.864 119.800 0.072 0.000 2.061 156 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 156 Q C 2.355 178.415 176.000 0.099 0.000 0.984 156 Q CA 2.281 58.140 55.803 0.092 0.000 0.846 156 Q CB -0.034 28.751 28.738 0.078 0.000 0.902 156 Q HN 0.390 nan 8.270 nan 0.000 0.421 157 V N 1.253 121.222 119.914 0.091 0.000 2.358 157 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 157 V C 2.323 178.451 176.094 0.057 0.000 1.047 157 V CA 2.177 64.530 62.300 0.089 0.000 1.035 157 V CB -0.759 31.141 31.823 0.128 0.000 0.658 157 V HN 0.495 nan 8.190 nan 0.000 0.452 158 E N 0.453 120.692 120.200 0.065 0.000 2.058 158 E HA -0.266 4.084 4.350 -0.001 0.000 0.194 158 E C 2.447 179.056 176.600 0.015 0.000 0.997 158 E CA 1.631 58.058 56.400 0.045 0.000 0.801 158 E CB -0.101 29.661 29.700 0.105 0.000 0.746 158 E HN 0.524 nan 8.360 nan 0.000 0.450 159 R N 0.349 120.851 120.500 0.003 0.000 2.096 159 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 159 R C 2.020 178.199 176.300 -0.202 0.000 1.127 159 R CA 1.470 57.486 56.100 -0.140 0.000 0.968 159 R CB -0.202 30.038 30.300 -0.100 0.000 0.861 159 R HN 0.298 nan 8.270 nan 0.000 0.440 160 D N 0.639 121.055 120.400 0.026 0.000 2.097 160 D HA -0.120 4.519 4.640 -0.001 0.000 0.197 160 D C 1.806 178.121 176.300 0.027 0.000 0.984 160 D CA 1.030 55.093 54.000 0.106 0.000 0.826 160 D CB -0.058 40.828 40.800 0.143 0.000 0.973 160 D HN 0.025 nan 8.370 nan 0.000 0.460 161 K N 0.530 120.928 120.400 -0.003 0.000 2.063 161 K HA -0.055 4.265 4.320 -0.001 0.000 0.208 161 K C 2.198 178.783 176.600 -0.025 0.000 1.048 161 K CA 0.586 56.861 56.287 -0.021 0.000 0.928 161 K CB -0.417 32.046 32.500 -0.062 0.000 0.713 161 K HN 0.284 nan 8.250 nan 0.000 0.442 162 L N 0.082 121.274 121.223 -0.053 0.000 2.567 162 L HA 0.100 4.440 4.340 -0.001 0.000 0.225 162 L C 0.446 177.243 176.870 -0.122 0.000 1.119 162 L CA -0.059 54.744 54.840 -0.063 0.000 0.871 162 L CB -0.467 41.565 42.059 -0.044 0.000 1.036 162 L HN 0.368 nan 8.230 nan 0.000 0.459 163 N N 1.376 119.967 118.700 -0.181 0.000 2.754 163 N HA -0.179 4.561 4.740 -0.001 0.000 0.248 163 N C -0.397 174.871 175.510 -0.404 0.000 1.093 163 N CA 0.475 53.396 53.050 -0.214 0.000 0.699 163 N CB -0.342 38.129 38.487 -0.027 0.000 1.016 163 N HN 0.367 nan 8.380 nan 0.000 0.552 164 K N 1.435 121.421 120.400 -0.689 0.000 2.483 164 K HA 0.367 4.686 4.320 -0.001 0.000 0.256 164 K C -1.486 174.737 176.600 -0.627 0.000 0.961 164 K CA -0.315 55.685 56.287 -0.477 0.000 0.873 164 K CB 0.960 33.302 32.500 -0.263 0.000 1.107 164 K HN 0.094 nan 8.250 nan 0.000 0.432 165 Y N -0.375 119.930 120.300 0.008 0.000 2.492 165 Y HA 0.437 4.987 4.550 -0.001 0.000 0.346 165 Y C 0.953 176.860 175.900 0.013 0.000 0.997 165 Y CA -0.919 57.190 58.100 0.013 0.000 1.025 165 Y CB 2.549 41.018 38.460 0.014 0.000 1.263 165 Y HN 0.764 nan 8.280 nan 0.000 0.454 166 G N 1.882 110.784 108.800 0.170 0.000 2.144 166 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.218 166 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.218 166 G C -0.312 174.632 174.900 0.073 0.000 0.988 166 G CA -0.012 45.153 45.100 0.108 0.000 0.659 166 G HN 0.905 nan 8.290 nan 0.000 0.522 167 R N -1.692 118.845 120.500 0.062 0.000 2.709 167 R HA 0.562 4.902 4.340 -0.001 0.000 0.270 167 R C -3.411 172.913 176.300 0.039 0.000 1.038 167 R CA -1.651 54.478 56.100 0.048 0.000 0.872 167 R CB 0.366 30.688 30.300 0.037 0.000 1.259 167 R HN 0.005 nan 8.270 nan 0.000 0.473 168 P HA 0.017 nan 4.420 nan 0.000 0.267 168 P C -0.443 176.868 177.300 0.019 0.000 1.201 168 P CA -0.056 63.065 63.100 0.036 0.000 0.775 168 P CB 0.432 32.164 31.700 0.055 0.000 0.854 169 L N 1.669 122.899 121.223 0.013 0.000 2.416 169 L HA 0.422 4.761 4.340 -0.001 0.000 0.262 169 L C -0.023 176.873 176.870 0.044 0.000 1.093 169 L CA -0.861 53.979 54.840 0.000 0.000 0.801 169 L CB 0.340 42.423 42.059 0.041 0.000 1.191 169 L HN 0.165 nan 8.230 nan 0.000 0.459 170 L N 0.900 122.133 121.223 0.017 0.000 2.349 170 L HA 0.728 5.068 4.340 -0.001 0.000 0.278 170 L C 0.213 177.151 176.870 0.113 0.000 0.996 170 L CA 0.098 54.989 54.840 0.084 0.000 0.825 170 L CB 1.083 43.165 42.059 0.038 0.000 1.243 170 L HN 0.693 nan 8.230 nan 0.000 0.412 171 G N 1.349 110.251 108.800 0.170 0.000 3.105 171 G HA2 0.676 4.636 3.960 -0.001 0.000 0.277 171 G HA3 0.676 4.636 3.960 -0.001 0.000 0.277 171 G C -1.586 173.357 174.900 0.072 0.000 1.375 171 G CA -0.511 44.670 45.100 0.135 0.000 0.962 171 G HN 0.702 nan 8.290 nan 0.000 0.541 172 C N 0.121 119.405 119.300 -0.027 0.000 3.158 172 C HA 0.551 5.011 4.460 -0.001 0.000 0.428 172 C C -0.277 174.670 174.990 -0.072 0.000 0.985 172 C CA -0.525 58.488 59.018 -0.009 0.000 1.240 172 C CB 0.087 27.843 27.740 0.028 0.000 1.615 172 C HN 0.889 nan 8.230 nan 0.000 0.570 173 T N 7.079 121.609 114.554 -0.039 0.000 2.851 173 T HA 0.379 4.729 4.350 -0.001 0.000 0.298 173 T C 0.618 175.301 174.700 -0.030 0.000 0.977 173 T CA -0.285 61.797 62.100 -0.031 0.000 1.126 173 T CB 0.420 69.301 68.868 0.022 0.000 0.916 173 T HN 0.587 nan 8.240 nan 0.000 0.529 174 I N 3.750 124.280 120.570 -0.067 0.000 2.648 174 I HA 0.157 4.327 4.170 -0.001 0.000 0.284 174 I C 0.846 176.922 176.117 -0.068 0.000 1.153 174 I CA 0.057 61.255 61.300 -0.171 0.000 1.426 174 I CB -0.023 37.620 38.000 -0.595 0.000 1.381 174 I HN 0.475 nan 8.210 nan 0.000 0.571 175 K N 6.336 126.706 120.400 -0.050 0.000 2.393 175 K HA 0.547 4.867 4.320 -0.001 0.000 0.241 175 K C -2.372 174.233 176.600 0.008 0.000 1.055 175 K CA -1.682 54.610 56.287 0.008 0.000 0.951 175 K CB 0.031 32.550 32.500 0.031 0.000 1.285 175 K HN 0.280 nan 8.250 nan 0.000 0.500 176 P HA -0.208 nan 4.420 nan 0.000 0.233 176 P C 0.013 177.339 177.300 0.044 0.000 1.031 176 P CA 0.768 63.879 63.100 0.017 0.000 0.772 176 P CB -0.016 31.681 31.700 -0.006 0.000 0.604 177 K N 1.669 122.091 120.400 0.037 0.000 2.015 177 K HA -0.122 4.198 4.320 -0.001 0.000 0.216 177 K C 1.161 177.809 176.600 0.080 0.000 1.052 177 K CA 1.264 57.590 56.287 0.066 0.000 0.937 177 K CB -0.094 32.429 32.500 0.039 0.000 0.719 177 K HN 0.411 nan 8.250 nan 0.000 0.446 178 L N -1.910 119.284 121.223 -0.049 0.000 2.323 178 L HA 0.388 4.727 4.340 -0.001 0.000 0.265 178 L C 0.887 177.421 176.870 -0.559 0.000 1.012 178 L CA -0.230 54.436 54.840 -0.290 0.000 0.820 178 L CB 2.091 43.986 42.059 -0.273 0.000 1.334 178 L HN 0.549 nan 8.230 nan 0.000 0.427 179 G N 1.151 109.168 108.800 -1.306 0.000 2.238 179 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 179 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 179 G C -0.034 174.737 174.900 -0.215 0.000 0.996 179 G CA -0.497 44.148 45.100 -0.758 0.000 0.632 179 G HN 0.330 nan 8.290 nan 0.000 0.503 180 L N 2.143 123.374 121.223 0.015 0.000 2.436 180 L HA 0.544 4.883 4.340 -0.001 0.000 0.265 180 L C 1.511 178.571 176.870 0.317 0.000 1.168 180 L CA 0.121 55.078 54.840 0.194 0.000 0.815 180 L CB 1.226 43.459 42.059 0.290 0.000 1.109 180 L HN 0.492 nan 8.230 nan 0.000 0.462 181 S N 0.958 116.790 115.700 0.220 0.000 2.669 181 S HA 0.412 4.881 4.470 -0.001 0.000 0.270 181 S C 0.952 175.649 174.600 0.161 0.000 1.225 181 S CA -0.218 58.091 58.200 0.183 0.000 0.991 181 S CB 1.606 64.862 63.200 0.093 0.000 0.987 181 S HN 0.692 nan 8.310 nan 0.000 0.552 182 A N 1.351 124.241 122.820 0.116 0.000 1.892 182 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 182 A C 2.153 179.731 177.584 -0.009 0.000 1.188 182 A CA 1.961 54.088 52.037 0.150 0.000 0.631 182 A CB -1.033 18.139 19.000 0.287 0.000 0.822 182 A HN 0.917 nan 8.150 nan 0.000 0.447 183 K N -0.559 119.623 120.400 -0.364 0.000 2.148 183 K HA -0.113 4.206 4.320 -0.001 0.000 0.204 183 K C 1.701 178.146 176.600 -0.258 0.000 1.050 183 K CA 1.491 57.341 56.287 -0.728 0.000 0.942 183 K CB -0.241 31.801 32.500 -0.763 0.000 0.724 183 K HN 0.665 nan 8.250 nan 0.000 0.446 184 N N -0.847 117.807 118.700 -0.075 0.000 2.300 184 N HA -0.126 4.614 4.740 -0.001 0.000 0.179 184 N C 1.444 176.995 175.510 0.068 0.000 1.016 184 N CA 0.493 53.545 53.050 0.004 0.000 0.876 184 N CB -0.046 38.462 38.487 0.035 0.000 0.979 184 N HN 0.126 nan 8.380 nan 0.000 0.432 185 Y N 1.362 121.663 120.300 0.002 0.000 2.128 185 Y HA -0.180 4.370 4.550 -0.001 0.000 0.284 185 Y C 2.490 178.390 175.900 0.001 0.000 1.154 185 Y CA 1.834 59.953 58.100 0.032 0.000 1.149 185 Y CB -0.706 37.800 38.460 0.077 0.000 0.976 185 Y HN 0.036 nan 8.280 nan 0.000 0.505 186 G N -0.678 108.206 108.800 0.140 0.000 2.402 186 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.216 186 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.216 186 G C 1.744 176.686 174.900 0.071 0.000 1.162 186 G CA 0.854 46.010 45.100 0.093 0.000 0.777 186 G HN 0.361 nan 8.290 nan 0.000 0.539 187 R N 0.710 121.231 120.500 0.036 0.000 2.083 187 R HA -0.030 4.310 4.340 -0.001 0.000 0.237 187 R C 2.777 179.122 176.300 0.075 0.000 1.137 187 R CA 1.768 57.910 56.100 0.070 0.000 0.951 187 R CB -0.543 29.769 30.300 0.021 0.000 0.851 187 R HN 0.249 nan 8.270 nan 0.000 0.434 188 A N 0.580 123.404 122.820 0.007 0.000 1.883 188 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 188 A C 2.357 179.920 177.584 -0.035 0.000 1.186 188 A CA 1.826 53.840 52.037 -0.038 0.000 0.624 188 A CB -0.742 18.187 19.000 -0.117 0.000 0.822 188 A HN 0.255 nan 8.150 nan 0.000 0.444 189 V N -1.129 118.767 119.914 -0.030 0.000 2.332 189 V HA -0.299 3.821 4.120 -0.001 0.000 0.248 189 V C 2.404 178.529 176.094 0.052 0.000 1.055 189 V CA 2.245 64.546 62.300 0.002 0.000 1.038 189 V CB -1.065 30.737 31.823 -0.034 0.000 0.651 189 V HN 0.755 nan 8.190 nan 0.000 0.450 190 Y N 1.457 121.750 120.300 -0.013 0.000 2.145 190 Y HA -0.207 4.343 4.550 -0.001 0.000 0.286 190 Y C 2.554 178.454 175.900 0.000 0.000 1.145 190 Y CA 1.950 60.051 58.100 0.002 0.000 1.148 190 Y CB -0.310 38.159 38.460 0.014 0.000 0.981 190 Y HN 0.274 nan 8.280 nan 0.000 0.507 191 E N -0.316 119.710 120.200 -0.290 0.000 2.077 191 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 191 E C 2.499 178.950 176.600 -0.249 0.000 0.989 191 E CA 1.365 57.540 56.400 -0.374 0.000 0.800 191 E CB -0.957 28.652 29.700 -0.152 0.000 0.746 191 E HN 0.549 nan 8.360 nan 0.000 0.452 192 C N 0.843 120.059 119.300 -0.140 0.000 2.442 192 C HA -0.108 4.352 4.460 -0.001 0.000 0.279 192 C C 2.897 177.826 174.990 -0.101 0.000 1.237 192 C CA 0.524 59.486 59.018 -0.094 0.000 1.722 192 C CB -1.191 26.520 27.740 -0.047 0.000 2.056 192 C HN 0.363 nan 8.230 nan 0.000 0.469 193 L N 1.063 122.235 121.223 -0.086 0.000 2.131 193 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 193 L C 2.801 179.614 176.870 -0.095 0.000 1.092 193 L CA 1.698 56.501 54.840 -0.061 0.000 0.759 193 L CB -0.684 41.373 42.059 -0.004 0.000 0.903 193 L HN 0.499 nan 8.230 nan 0.000 0.435 194 R N 0.262 120.651 120.500 -0.185 0.000 2.276 194 R HA -0.016 4.323 4.340 -0.001 0.000 0.203 194 R C 1.825 178.047 176.300 -0.131 0.000 1.017 194 R CA 1.073 57.063 56.100 -0.182 0.000 1.010 194 R CB -0.448 29.620 30.300 -0.387 0.000 0.900 194 R HN 0.207 nan 8.270 nan 0.000 0.469 195 G N -0.505 108.218 108.800 -0.130 0.000 2.939 195 G HA2 0.265 4.225 3.960 -0.001 0.000 0.210 195 G HA3 0.265 4.225 3.960 -0.001 0.000 0.210 195 G C 0.850 175.706 174.900 -0.073 0.000 1.160 195 G CA 0.229 45.270 45.100 -0.098 0.000 0.770 195 G HN 0.551 nan 8.290 nan 0.000 0.543 196 G N -0.660 108.099 108.800 -0.069 0.000 2.273 196 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.162 196 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.162 196 G C 0.252 175.112 174.900 -0.067 0.000 1.006 196 G CA -0.360 44.705 45.100 -0.058 0.000 0.704 196 G HN 0.327 nan 8.290 nan 0.000 0.487 197 L N 1.236 122.418 121.223 -0.068 0.000 2.417 197 L HA 0.350 4.690 4.340 -0.001 0.000 0.268 197 L C 1.123 177.924 176.870 -0.115 0.000 1.158 197 L CA -0.561 54.239 54.840 -0.066 0.000 0.819 197 L CB 0.530 42.570 42.059 -0.031 0.000 1.112 197 L HN 0.014 nan 8.230 nan 0.000 0.458 198 D N 1.238 121.514 120.400 -0.207 0.000 2.183 198 D HA 0.037 4.677 4.640 -0.001 0.000 0.205 198 D C -0.101 175.934 176.300 -0.441 0.000 0.962 198 D CA 1.466 55.212 54.000 -0.423 0.000 0.849 198 D CB 0.298 40.661 40.800 -0.728 0.000 0.978 198 D HN 0.147 nan 8.370 nan 0.000 0.488 199 F N 0.183 120.125 119.950 -0.014 0.000 2.588 199 F HA 0.321 4.848 4.527 -0.000 0.000 0.314 199 F C 0.701 176.389 175.800 -0.186 0.000 1.069 199 F CA -1.102 56.847 58.000 -0.085 0.000 0.931 199 F CB 1.741 40.692 39.000 -0.082 0.000 1.260 199 F HN -0.330 nan 8.300 nan 0.000 0.465 203 D N 1.103 121.627 120.400 0.206 0.000 2.382 203 D HA -0.026 4.613 4.640 -0.001 0.000 0.240 203 D C 1.425 177.713 176.300 -0.019 0.000 1.146 203 D CA 0.033 54.086 54.000 0.088 0.000 0.897 203 D CB 1.164 42.044 40.800 0.132 0.000 1.197 203 D HN 0.427 nan 8.370 nan 0.000 0.432 204 E N 2.703 122.774 120.200 -0.214 0.000 2.209 204 E HA -0.247 4.103 4.350 -0.001 0.000 0.196 204 E C 0.750 177.249 176.600 -0.168 0.000 0.993 204 E CA 1.254 57.421 56.400 -0.389 0.000 0.819 204 E CB -0.256 28.843 29.700 -1.001 0.000 0.745 204 E HN 0.504 nan 8.360 nan 0.000 0.477 205 N N 0.811 119.468 118.700 -0.072 0.000 2.254 205 N HA -0.003 4.737 4.740 -0.001 0.000 0.190 205 N C 0.216 175.767 175.510 0.069 0.000 1.107 205 N CA -0.066 52.981 53.050 -0.006 0.000 0.869 205 N CB -0.014 38.479 38.487 0.009 0.000 0.983 205 N HN -0.064 nan 8.380 nan 0.000 0.487 206 V N 2.283 122.258 119.914 0.101 0.000 2.400 206 V HA 0.074 4.193 4.120 -0.001 0.000 0.263 206 V C 0.361 176.503 176.094 0.081 0.000 1.026 206 V CA 0.190 62.569 62.300 0.132 0.000 1.077 206 V CB -1.043 30.869 31.823 0.148 0.000 1.054 206 V HN 0.330 nan 8.190 nan 0.000 0.477 207 N N 2.569 121.299 118.700 0.050 0.000 2.690 207 N HA 0.247 4.987 4.740 -0.001 0.000 0.187 207 N C -0.177 175.360 175.510 0.045 0.000 1.295 207 N CA -0.423 52.651 53.050 0.040 0.000 1.100 207 N CB 0.508 38.996 38.487 0.002 0.000 1.336 207 N HN 0.495 nan 8.380 nan 0.000 0.458 208 S N 0.072 115.774 115.700 0.004 0.000 2.594 208 S HA 0.496 4.966 4.470 -0.001 0.000 0.296 208 S C -1.620 172.904 174.600 -0.127 0.000 1.124 208 S CA -0.393 57.804 58.200 -0.005 0.000 1.011 208 S CB 1.261 64.565 63.200 0.174 0.000 1.016 208 S HN 0.262 nan 8.310 nan 0.000 0.485 209 Q N 3.064 122.674 119.800 -0.317 0.000 2.565 209 Q HA 0.459 4.799 4.340 -0.001 0.000 0.294 209 Q C -2.101 173.660 176.000 -0.400 0.000 1.005 209 Q CA -1.665 53.901 55.803 -0.395 0.000 0.771 209 Q CB 1.558 29.892 28.738 -0.672 0.000 1.486 209 Q HN 0.256 nan 8.270 nan 0.000 0.422 210 P HA -0.171 nan 4.420 nan 0.000 0.216 210 P C 0.602 177.872 177.300 -0.051 0.000 1.150 210 P CA 1.412 64.466 63.100 -0.076 0.000 0.843 210 P CB 0.018 31.736 31.700 0.030 0.000 0.787 211 F N -2.511 117.449 119.950 0.016 0.000 2.661 211 F HA 0.304 4.831 4.527 -0.001 0.000 0.298 211 F C 0.919 176.731 175.800 0.020 0.000 1.137 211 F CA -0.015 57.998 58.000 0.020 0.000 1.454 211 F CB -0.509 38.509 39.000 0.029 0.000 1.103 211 F HN -0.187 nan 8.300 nan 0.000 0.577 212 M N 1.266 120.630 119.600 -0.394 0.000 2.437 212 M HA 0.303 4.782 4.480 -0.001 0.000 0.203 212 M C -1.608 174.519 176.300 -0.288 0.000 0.957 212 M CA -0.478 54.686 55.300 -0.226 0.000 0.872 212 M CB 0.904 33.456 32.600 -0.080 0.000 2.556 212 M HN -0.179 nan 8.290 nan 0.000 0.428 213 R N 3.791 124.183 120.500 -0.179 0.000 2.459 213 R HA 0.310 4.650 4.340 -0.001 0.000 0.281 213 R C 1.069 177.270 176.300 -0.164 0.000 1.050 213 R CA -0.218 55.774 56.100 -0.180 0.000 1.055 213 R CB 0.648 30.818 30.300 -0.217 0.000 1.045 213 R HN 0.969 nan 8.270 nan 0.000 0.495 214 W N 4.212 125.393 121.300 -0.198 0.000 2.338 214 W HA -0.180 4.480 4.660 -0.000 0.000 0.304 214 W C 1.152 177.477 176.519 -0.323 0.000 1.212 214 W CA 0.830 58.029 57.345 -0.242 0.000 1.264 214 W CB -0.446 28.802 29.460 -0.353 0.000 1.142 214 W HN 0.576 nan 8.180 nan 0.000 0.512 215 R N 1.048 120.736 120.500 -1.353 0.000 2.090 215 R HA -0.130 4.210 4.340 -0.001 0.000 0.228 215 R C 1.878 177.920 176.300 -0.430 0.000 1.110 215 R CA 1.923 57.257 56.100 -1.277 0.000 0.973 215 R CB -0.422 28.828 30.300 -1.751 0.000 0.869 215 R HN -0.051 nan 8.270 nan 0.000 0.440 216 D N 0.131 120.339 120.400 -0.320 0.000 2.123 216 D HA -0.210 4.430 4.640 -0.001 0.000 0.196 216 D C 1.857 178.243 176.300 0.143 0.000 0.992 216 D CA 1.089 55.038 54.000 -0.085 0.000 0.833 216 D CB -0.179 40.615 40.800 -0.009 0.000 0.954 216 D HN 0.274 nan 8.370 nan 0.000 0.455 217 R N -0.285 120.324 120.500 0.181 0.000 2.066 217 R HA -0.134 4.206 4.340 -0.001 0.000 0.232 217 R C 2.278 178.829 176.300 0.419 0.000 1.131 217 R CA 0.923 57.200 56.100 0.294 0.000 0.955 217 R CB -0.295 30.123 30.300 0.197 0.000 0.851 217 R HN 0.013 nan 8.270 nan 0.000 0.432 218 F N 1.304 121.375 119.950 0.201 0.000 2.091 218 F HA -0.248 4.279 4.527 -0.001 0.000 0.299 218 F C 2.307 178.193 175.800 0.143 0.000 1.103 218 F CA 1.189 59.329 58.000 0.233 0.000 1.228 218 F CB -1.052 38.206 39.000 0.430 0.000 0.984 218 F HN 0.104 nan 8.300 nan 0.000 0.477 219 L N -1.487 119.945 121.223 0.349 0.000 2.046 219 L HA -0.257 4.083 4.340 -0.001 0.000 0.208 219 L C 2.343 179.228 176.870 0.025 0.000 1.077 219 L CA 1.509 56.423 54.840 0.124 0.000 0.747 219 L CB -0.457 41.596 42.059 -0.011 0.000 0.896 219 L HN -0.028 nan 8.230 nan 0.000 0.432 220 F N -0.881 119.139 119.950 0.116 0.000 2.293 220 F HA -0.132 4.394 4.527 -0.001 0.000 0.297 220 F C 2.563 178.386 175.800 0.040 0.000 1.089 220 F CA 0.975 59.020 58.000 0.074 0.000 1.377 220 F CB -0.972 38.074 39.000 0.076 0.000 1.051 220 F HN 0.182 nan 8.300 nan 0.000 0.511 221 C N -0.344 119.069 119.300 0.188 0.000 2.435 221 C HA -0.040 4.419 4.460 -0.001 0.000 0.279 221 C C 3.084 178.048 174.990 -0.044 0.000 1.321 221 C CA 0.834 59.845 59.018 -0.011 0.000 1.752 221 C CB -1.539 26.063 27.740 -0.230 0.000 1.959 221 C HN 0.489 nan 8.230 nan 0.000 0.500 222 A N 0.520 123.329 122.820 -0.020 0.000 1.877 222 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 222 A C 2.167 179.747 177.584 -0.006 0.000 1.186 222 A CA 1.935 53.909 52.037 -0.105 0.000 0.620 222 A CB -0.706 18.284 19.000 -0.016 0.000 0.822 222 A HN 0.696 nan 8.150 nan 0.000 0.443 223 E N -0.120 120.147 120.200 0.111 0.000 2.058 223 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 223 E C 2.166 178.834 176.600 0.113 0.000 0.997 223 E CA 1.170 57.661 56.400 0.152 0.000 0.801 223 E CB -0.265 29.524 29.700 0.149 0.000 0.746 223 E HN 0.530 nan 8.360 nan 0.000 0.450 224 A N 1.360 124.235 122.820 0.092 0.000 1.858 224 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 224 A C 2.256 179.911 177.584 0.118 0.000 1.190 224 A CA 1.784 53.884 52.037 0.105 0.000 0.617 224 A CB -0.913 18.162 19.000 0.125 0.000 0.827 224 A HN 0.413 nan 8.150 nan 0.000 0.443 225 L N -2.674 118.556 121.223 0.012 0.000 2.042 225 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 225 L C 2.271 179.142 176.870 0.003 0.000 1.076 225 L CA 2.072 56.895 54.840 -0.029 0.000 0.749 225 L CB -1.374 40.609 42.059 -0.126 0.000 0.893 225 L HN 0.295 nan 8.230 nan 0.000 0.432 226 Y N 0.615 120.959 120.300 0.074 0.000 2.224 226 Y HA -0.141 4.408 4.550 -0.001 0.000 0.289 226 Y C 2.802 178.737 175.900 0.059 0.000 1.146 226 Y CA 1.503 59.636 58.100 0.055 0.000 1.182 226 Y CB -0.720 37.760 38.460 0.034 0.000 0.983 226 Y HN 0.322 nan 8.280 nan 0.000 0.524 227 K N 0.058 120.579 120.400 0.200 0.000 2.057 227 K HA -0.157 4.162 4.320 -0.001 0.000 0.207 227 K C 2.259 178.998 176.600 0.231 0.000 1.049 227 K CA 1.158 57.521 56.287 0.127 0.000 0.931 227 K CB -0.213 32.244 32.500 -0.073 0.000 0.714 227 K HN 0.241 nan 8.250 nan 0.000 0.440 228 A N 0.900 123.905 122.820 0.309 0.000 1.898 228 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 228 A C 2.065 179.737 177.584 0.146 0.000 1.181 228 A CA 1.471 53.663 52.037 0.258 0.000 0.620 228 A CB -0.591 18.511 19.000 0.171 0.000 0.819 228 A HN 0.517 nan 8.150 nan 0.000 0.442 229 Q N -0.485 119.398 119.800 0.138 0.000 2.096 229 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 229 Q C 2.134 178.196 176.000 0.103 0.000 0.982 229 Q CA 1.865 57.737 55.803 0.114 0.000 0.850 229 Q CB -0.327 28.503 28.738 0.154 0.000 0.901 229 Q HN 0.624 nan 8.270 nan 0.000 0.422 230 A N 0.306 123.197 122.820 0.117 0.000 1.968 230 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 230 A C 1.844 179.474 177.584 0.077 0.000 1.169 230 A CA 1.382 53.470 52.037 0.085 0.000 0.638 230 A CB -0.509 18.537 19.000 0.076 0.000 0.812 230 A HN 0.587 nan 8.150 nan 0.000 0.446 231 E N -0.216 120.045 120.200 0.101 0.000 2.072 231 E HA -0.166 4.184 4.350 -0.001 0.000 0.191 231 E C 2.023 178.661 176.600 0.063 0.000 0.985 231 E CA 1.818 58.274 56.400 0.093 0.000 0.801 231 E CB -0.046 29.741 29.700 0.145 0.000 0.750 231 E HN 0.723 nan 8.360 nan 0.000 0.452 232 T N -3.911 110.676 114.554 0.056 0.000 3.044 232 T HA 0.230 4.579 4.350 -0.001 0.000 0.255 232 T C 1.549 176.265 174.700 0.026 0.000 1.073 232 T CA 0.651 62.770 62.100 0.032 0.000 1.125 232 T CB 0.475 69.353 68.868 0.018 0.000 0.908 232 T HN 0.328 nan 8.240 nan 0.000 0.480 233 G N 1.211 110.032 108.800 0.034 0.000 2.143 233 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.249 233 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.249 233 G C -0.291 174.621 174.900 0.019 0.000 0.981 233 G CA 0.157 45.274 45.100 0.028 0.000 0.665 233 G HN 0.677 nan 8.290 nan 0.000 0.528 234 E N -0.615 119.593 120.200 0.013 0.000 2.227 234 E HA 0.608 4.957 4.350 -0.001 0.000 0.268 234 E C 0.271 176.869 176.600 -0.003 0.000 0.907 234 E CA -1.115 55.281 56.400 -0.006 0.000 0.786 234 E CB 1.836 31.519 29.700 -0.028 0.000 1.191 234 E HN 0.271 nan 8.360 nan 0.000 0.411 235 I N 2.637 123.199 120.570 -0.014 0.000 2.692 235 I HA 0.022 4.192 4.170 -0.001 0.000 0.284 235 I C 0.321 176.423 176.117 -0.025 0.000 1.159 235 I CA 0.359 61.660 61.300 0.002 0.000 1.423 235 I CB 0.191 38.191 38.000 0.001 0.000 1.380 235 I HN 0.159 nan 8.210 nan 0.000 0.580 236 K N 3.996 124.405 120.400 0.016 0.000 2.340 236 K HA 0.747 5.067 4.320 -0.001 0.000 0.244 236 K C -0.362 176.289 176.600 0.086 0.000 0.973 236 K CA -0.718 55.574 56.287 0.008 0.000 0.828 236 K CB 2.157 34.671 32.500 0.023 0.000 1.226 236 K HN 0.769 nan 8.250 nan 0.000 0.437 237 G N 0.338 109.261 108.800 0.206 0.000 2.612 237 G HA2 0.394 4.354 3.960 -0.001 0.000 0.298 237 G HA3 0.394 4.354 3.960 -0.001 0.000 0.298 237 G C -1.752 173.333 174.900 0.309 0.000 1.336 237 G CA -0.248 45.053 45.100 0.334 0.000 0.953 237 G HN 0.542 nan 8.290 nan 0.000 0.482 238 H N 1.229 120.354 119.070 0.092 0.000 2.744 238 H HA 0.340 4.896 4.556 -0.000 0.000 0.339 238 H C -1.073 174.273 175.328 0.030 0.000 1.004 238 H CA -0.598 55.454 56.048 0.006 0.000 1.257 238 H CB 1.338 31.088 29.762 -0.020 0.000 1.552 238 H HN 0.361 nan 8.280 nan 0.000 0.522 239 Y N 5.726 125.659 120.300 -0.613 0.000 2.624 239 Y HA 0.130 4.679 4.550 -0.000 0.000 0.354 239 Y C 0.602 176.299 175.900 -0.338 0.000 1.051 239 Y CA -0.764 57.083 58.100 -0.422 0.000 1.377 239 Y CB -0.510 37.694 38.460 -0.427 0.000 1.168 239 Y HN 0.342 nan 8.280 nan 0.000 0.525 240 L N 3.811 124.980 121.223 -0.090 0.000 2.360 240 L HA 0.193 4.533 4.340 -0.001 0.000 0.276 240 L C 0.600 177.417 176.870 -0.088 0.000 1.121 240 L CA 0.005 54.695 54.840 -0.250 0.000 0.845 240 L CB 0.428 41.961 42.059 -0.877 0.000 1.143 240 L HN 0.622 nan 8.230 nan 0.000 0.452 241 N N 1.626 120.383 118.700 0.095 0.000 2.444 241 N HA 0.316 5.056 4.740 -0.001 0.000 0.271 241 N C 0.444 176.091 175.510 0.227 0.000 1.069 241 N CA -0.114 53.032 53.050 0.160 0.000 0.965 241 N CB 1.317 39.891 38.487 0.145 0.000 1.092 241 N HN 0.773 nan 8.380 nan 0.000 0.476 242 A N 2.519 125.430 122.820 0.151 0.000 2.308 242 A HA 0.116 4.436 4.320 -0.001 0.000 0.217 242 A C 0.615 178.232 177.584 0.054 0.000 1.216 242 A CA -0.058 52.020 52.037 0.067 0.000 0.864 242 A CB -0.008 19.002 19.000 0.016 0.000 0.902 242 A HN 0.617 nan 8.150 nan 0.000 0.499 243 T N 1.584 116.220 114.554 0.136 0.000 2.946 243 T HA 0.453 4.803 4.350 -0.001 0.000 0.311 243 T C 0.223 174.925 174.700 0.003 0.000 1.063 243 T CA 0.968 63.138 62.100 0.117 0.000 1.139 243 T CB 0.783 69.655 68.868 0.007 0.000 0.994 243 T HN 0.963 nan 8.240 nan 0.000 0.547 244 A N 1.706 124.521 122.820 -0.007 0.000 2.511 244 A HA 0.741 5.061 4.320 -0.001 0.000 0.293 244 A C 1.113 178.673 177.584 -0.041 0.000 1.098 244 A CA -0.264 51.736 52.037 -0.062 0.000 0.643 244 A CB 0.296 19.217 19.000 -0.133 0.000 1.302 244 A HN 0.792 nan 8.150 nan 0.000 0.446 245 G N -0.785 107.985 108.800 -0.049 0.000 2.551 245 G HA2 0.384 4.344 3.960 -0.001 0.000 0.216 245 G HA3 0.384 4.344 3.960 -0.001 0.000 0.216 245 G C 0.659 175.540 174.900 -0.032 0.000 1.137 245 G CA 1.753 46.833 45.100 -0.034 0.000 0.798 245 G HN 1.711 nan 8.290 nan 0.000 0.536 246 T N -4.116 110.412 114.554 -0.043 0.000 2.901 246 T HA 0.307 4.656 4.350 -0.001 0.000 0.293 246 T C 0.923 175.589 174.700 -0.056 0.000 1.084 246 T CA -0.295 61.781 62.100 -0.041 0.000 1.008 246 T CB 1.415 70.258 68.868 -0.041 0.000 1.170 246 T HN -0.083 nan 8.240 nan 0.000 0.509 247 C N 0.746 120.016 119.300 -0.051 0.000 2.429 247 C HA -0.027 4.433 4.460 -0.001 0.000 0.277 247 C C 2.632 177.567 174.990 -0.092 0.000 1.262 247 C CA 0.963 59.939 59.018 -0.071 0.000 1.733 247 C CB -1.359 26.348 27.740 -0.055 0.000 2.010 247 C HN 1.035 nan 8.230 nan 0.000 0.483 248 E N 1.447 121.602 120.200 -0.074 0.000 2.070 248 E HA -0.199 4.150 4.350 -0.001 0.000 0.197 248 E C 1.612 178.145 176.600 -0.110 0.000 1.004 248 E CA 1.705 58.057 56.400 -0.079 0.000 0.805 248 E CB -0.372 29.297 29.700 -0.052 0.000 0.744 248 E HN 0.563 nan 8.360 nan 0.000 0.451 249 D N -0.217 120.113 120.400 -0.117 0.000 2.117 249 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 249 D C 1.843 177.984 176.300 -0.265 0.000 0.987 249 D CA 0.882 54.777 54.000 -0.175 0.000 0.829 249 D CB -0.266 40.445 40.800 -0.148 0.000 0.961 249 D HN 0.157 nan 8.370 nan 0.000 0.460 250 M N -0.326 119.150 119.600 -0.207 0.000 2.108 250 M HA -0.195 4.285 4.480 -0.001 0.000 0.261 250 M C 1.661 177.807 176.300 -0.257 0.000 1.066 250 M CA 1.314 56.483 55.300 -0.217 0.000 1.107 250 M CB 0.036 32.541 32.600 -0.157 0.000 1.356 250 M HN -0.069 nan 8.290 nan 0.000 0.406 251 M N 0.218 119.674 119.600 -0.240 0.000 2.175 251 M HA -0.155 4.324 4.480 -0.001 0.000 0.264 251 M C 1.901 178.039 176.300 -0.270 0.000 1.063 251 M CA 1.663 56.788 55.300 -0.292 0.000 1.119 251 M CB -1.134 31.326 32.600 -0.234 0.000 1.377 251 M HN 0.293 nan 8.290 nan 0.000 0.415 252 K N -0.194 120.072 120.400 -0.223 0.000 2.097 252 K HA -0.117 4.203 4.320 -0.001 0.000 0.206 252 K C 2.116 178.580 176.600 -0.226 0.000 1.049 252 K CA 1.080 57.271 56.287 -0.160 0.000 0.933 252 K CB -0.044 32.391 32.500 -0.108 0.000 0.717 252 K HN 0.368 nan 8.250 nan 0.000 0.442 253 R N 0.155 120.358 120.500 -0.496 0.000 2.090 253 R HA -0.006 4.334 4.340 -0.001 0.000 0.228 253 R C 2.396 178.743 176.300 0.078 0.000 1.110 253 R CA 1.044 56.856 56.100 -0.479 0.000 0.973 253 R CB -0.319 29.570 30.300 -0.686 0.000 0.869 253 R HN 0.133 nan 8.270 nan 0.000 0.440 254 A N 1.254 124.039 122.820 -0.059 0.000 1.902 254 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 254 A C 2.422 180.038 177.584 0.054 0.000 1.181 254 A CA 1.378 53.401 52.037 -0.024 0.000 0.623 254 A CB -0.633 18.204 19.000 -0.273 0.000 0.818 254 A HN 0.092 nan 8.150 nan 0.000 0.443 255 V N -1.255 118.628 119.914 -0.053 0.000 2.282 255 V HA -0.279 3.841 4.120 -0.001 0.000 0.249 255 V C 2.304 178.578 176.094 0.300 0.000 1.057 255 V CA 2.383 64.766 62.300 0.137 0.000 1.032 255 V CB -0.904 30.969 31.823 0.083 0.000 0.645 255 V HN 0.640 nan 8.190 nan 0.000 0.447 256 F N 1.088 121.169 119.950 0.217 0.000 2.293 256 F HA 0.085 4.612 4.527 -0.001 0.000 0.297 256 F C 2.217 178.223 175.800 0.344 0.000 1.089 256 F CA 0.703 58.882 58.000 0.299 0.000 1.377 256 F CB -0.602 38.646 39.000 0.414 0.000 1.051 256 F HN 0.061 nan 8.300 nan 0.000 0.511 257 A N 0.946 123.956 122.820 0.316 0.000 1.908 257 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 257 A C 2.469 180.087 177.584 0.058 0.000 1.181 257 A CA 1.511 53.615 52.037 0.111 0.000 0.627 257 A CB -0.786 18.290 19.000 0.126 0.000 0.818 257 A HN 0.298 nan 8.150 nan 0.000 0.445 258 R N -0.001 120.585 120.500 0.143 0.000 2.094 258 R HA -0.200 4.140 4.340 -0.001 0.000 0.239 258 R C 2.150 178.501 176.300 0.085 0.000 1.137 258 R CA 2.139 58.322 56.100 0.139 0.000 0.943 258 R CB -0.753 29.688 30.300 0.234 0.000 0.850 258 R HN 0.787 nan 8.270 nan 0.000 0.433 259 E N 0.216 120.468 120.200 0.088 0.000 2.130 259 E HA -0.194 4.155 4.350 -0.001 0.000 0.196 259 E C 2.054 178.636 176.600 -0.030 0.000 0.998 259 E CA 1.308 57.741 56.400 0.056 0.000 0.806 259 E CB -0.108 29.678 29.700 0.142 0.000 0.738 259 E HN 0.349 nan 8.360 nan 0.000 0.459 260 L N -0.714 120.422 121.223 -0.146 0.000 2.376 260 L HA 0.048 4.387 4.340 -0.001 0.000 0.219 260 L C 1.580 178.489 176.870 0.065 0.000 1.133 260 L CA 0.568 55.347 54.840 -0.101 0.000 0.816 260 L CB -0.055 41.870 42.059 -0.224 0.000 0.933 260 L HN 0.438 nan 8.230 nan 0.000 0.449 261 G N 0.533 109.370 108.800 0.061 0.000 2.147 261 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.244 261 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.244 261 G C 0.311 175.298 174.900 0.145 0.000 1.005 261 G CA 0.223 45.387 45.100 0.105 0.000 0.713 261 G HN 0.267 nan 8.290 nan 0.000 0.515 262 V N -2.391 117.571 119.914 0.081 0.000 2.904 262 V HA 0.800 4.920 4.120 -0.001 0.000 0.305 262 V C -0.242 175.868 176.094 0.028 0.000 1.067 262 V CA -0.954 61.363 62.300 0.028 0.000 1.044 262 V CB 1.424 33.211 31.823 -0.061 0.000 1.050 262 V HN 0.024 nan 8.190 nan 0.000 0.475 263 P HA 0.331 nan 4.420 nan 0.000 0.234 263 P C 0.059 177.351 177.300 -0.014 0.000 1.175 263 P CA 0.636 63.749 63.100 0.022 0.000 0.801 263 P CB 0.658 32.395 31.700 0.061 0.000 0.891 264 I N 0.033 120.591 120.570 -0.020 0.000 2.722 264 I HA 0.288 4.458 4.170 -0.001 0.000 0.292 264 I C -1.017 175.048 176.117 -0.087 0.000 1.267 264 I CA -1.259 59.983 61.300 -0.096 0.000 1.036 264 I CB 2.462 40.348 38.000 -0.190 0.000 1.281 264 I HN -0.301 nan 8.210 nan 0.000 0.423 265 V N 4.518 124.370 119.914 -0.103 0.000 3.204 265 V HA 0.739 4.858 4.120 -0.001 0.000 0.316 265 V C -0.408 175.643 176.094 -0.072 0.000 1.160 265 V CA -0.759 61.502 62.300 -0.065 0.000 1.044 265 V CB 1.863 33.680 31.823 -0.010 0.000 1.136 265 V HN 0.901 nan 8.190 nan 0.000 0.455 266 M N 0.735 120.348 119.600 0.020 0.000 2.631 266 M HA 0.806 5.285 4.480 -0.001 0.000 0.288 266 M C -1.227 175.174 176.300 0.170 0.000 1.260 266 M CA -0.527 54.830 55.300 0.095 0.000 0.842 266 M CB 2.238 34.958 32.600 0.201 0.000 1.743 266 M HN 1.001 nan 8.290 nan 0.000 0.461 267 H N -0.509 118.595 119.070 0.056 0.000 2.996 267 H HA 0.474 5.030 4.556 -0.001 0.000 0.368 267 H C -2.041 173.339 175.328 0.087 0.000 1.185 267 H CA -0.488 55.586 56.048 0.043 0.000 1.160 267 H CB 1.883 31.654 29.762 0.013 0.000 1.820 267 H HN 0.765 nan 8.280 nan 0.000 0.547 268 D N 4.556 124.705 120.400 -0.419 0.000 2.441 268 D HA 0.023 4.663 4.640 -0.001 0.000 0.221 268 D C 0.659 176.637 176.300 -0.538 0.000 1.156 268 D CA -0.185 53.630 54.000 -0.310 0.000 0.896 268 D CB -0.021 40.642 40.800 -0.229 0.000 1.028 268 D HN 0.613 nan 8.370 nan 0.000 0.509 269 Y N 1.064 121.117 120.300 -0.411 0.000 2.373 269 Y HA -0.004 4.546 4.550 -0.001 0.000 0.293 269 Y C 1.341 176.993 175.900 -0.414 0.000 1.129 269 Y CA 0.790 58.673 58.100 -0.360 0.000 1.226 269 Y CB -0.389 37.950 38.460 -0.201 0.000 1.000 269 Y HN 0.224 nan 8.280 nan 0.000 0.549 270 L N 0.448 121.197 121.223 -0.790 0.000 2.162 270 L HA -0.042 4.298 4.340 -0.001 0.000 0.205 270 L C 2.591 179.243 176.870 -0.364 0.000 1.086 270 L CA 1.447 55.871 54.840 -0.693 0.000 0.778 270 L CB -0.711 40.954 42.059 -0.658 0.000 0.928 270 L HN 0.429 nan 8.230 nan 0.000 0.446 271 T N -3.388 110.993 114.554 -0.288 0.000 2.896 271 T HA -0.012 4.338 4.350 -0.001 0.000 0.263 271 T C 1.951 176.554 174.700 -0.162 0.000 1.050 271 T CA 0.809 62.796 62.100 -0.187 0.000 1.140 271 T CB -0.682 68.098 68.868 -0.145 0.000 0.877 271 T HN 0.305 nan 8.240 nan 0.000 0.457 272 G N 1.640 110.309 108.800 -0.218 0.000 2.404 272 G HA2 0.381 4.340 3.960 -0.001 0.000 0.215 272 G HA3 0.381 4.340 3.960 -0.001 0.000 0.215 272 G C 0.908 175.788 174.900 -0.033 0.000 1.174 272 G CA 0.357 45.404 45.100 -0.088 0.000 0.780 272 G HN 1.290 nan 8.290 nan 0.000 0.537 273 G N -2.165 106.565 108.800 -0.116 0.000 2.587 273 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.686 273 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.686 273 G C 0.108 174.985 174.900 -0.038 0.000 1.236 273 G CA -0.112 44.920 45.100 -0.114 0.000 0.820 273 G HN 0.098 nan 8.290 nan 0.000 0.645 274 F N 0.668 120.672 119.950 0.090 0.000 2.163 274 F HA 0.036 4.563 4.527 -0.000 0.000 0.297 274 F C 3.166 178.992 175.800 0.042 0.000 1.094 274 F CA 2.264 60.316 58.000 0.087 0.000 1.290 274 F CB -0.747 38.280 39.000 0.045 0.000 1.017 274 F HN 0.581 nan 8.300 nan 0.000 0.483 275 T N 0.146 114.827 114.554 0.211 0.000 2.597 275 T HA -0.302 4.048 4.350 -0.001 0.000 0.267 275 T C 2.272 176.998 174.700 0.043 0.000 1.053 275 T CA 1.794 63.952 62.100 0.096 0.000 1.165 275 T CB -0.854 68.057 68.868 0.072 0.000 0.863 275 T HN 0.290 nan 8.240 nan 0.000 0.427 276 A N 1.804 124.650 122.820 0.044 0.000 1.933 276 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 276 A C 2.252 179.795 177.584 -0.068 0.000 1.175 276 A CA 1.694 53.725 52.037 -0.010 0.000 0.628 276 A CB -0.744 18.271 19.000 0.025 0.000 0.814 276 A HN 0.585 nan 8.150 nan 0.000 0.444 277 N N -0.571 118.152 118.700 0.038 0.000 2.270 277 N HA -0.117 4.623 4.740 -0.001 0.000 0.181 277 N C 1.427 176.905 175.510 -0.053 0.000 1.016 277 N CA 1.770 54.822 53.050 0.004 0.000 0.870 277 N CB -0.074 38.554 38.487 0.235 0.000 0.979 277 N HN 0.430 nan 8.380 nan 0.000 0.431 278 T N -0.232 114.296 114.554 -0.044 0.000 2.777 278 T HA -0.061 4.289 4.350 -0.001 0.000 0.266 278 T C 1.819 176.264 174.700 -0.425 0.000 1.040 278 T CA 1.500 63.474 62.100 -0.210 0.000 1.141 278 T CB -0.611 68.163 68.868 -0.156 0.000 0.868 278 T HN 0.257 nan 8.240 nan 0.000 0.444 279 T N 2.397 116.800 114.554 -0.251 0.000 2.665 279 T HA -0.105 4.245 4.350 -0.001 0.000 0.268 279 T C 1.847 176.476 174.700 -0.118 0.000 1.035 279 T CA 1.205 63.197 62.100 -0.179 0.000 1.151 279 T CB -0.433 68.373 68.868 -0.103 0.000 0.862 279 T HN 0.151 nan 8.240 nan 0.000 0.438 280 L N 0.534 121.669 121.223 -0.145 0.000 2.209 280 L HA 0.207 4.547 4.340 -0.001 0.000 0.207 280 L C 2.544 179.413 176.870 -0.002 0.000 1.094 280 L CA 1.463 56.246 54.840 -0.095 0.000 0.790 280 L CB -0.798 41.100 42.059 -0.268 0.000 0.932 280 L HN 0.152 nan 8.230 nan 0.000 0.447 281 S N -1.060 114.610 115.700 -0.050 0.000 2.356 281 S HA -0.239 4.230 4.470 -0.001 0.000 0.223 281 S C 2.079 176.756 174.600 0.129 0.000 1.032 281 S CA 1.446 59.654 58.200 0.013 0.000 1.005 281 S CB -0.423 62.774 63.200 -0.005 0.000 0.867 281 S HN 0.677 nan 8.310 nan 0.000 0.449 282 H N -0.738 118.334 119.070 0.004 0.000 2.387 282 H HA -0.043 4.513 4.556 -0.001 0.000 0.299 282 H C 1.772 177.104 175.328 0.007 0.000 1.090 282 H CA 1.595 57.639 56.048 -0.005 0.000 1.332 282 H CB -1.043 28.721 29.762 0.003 0.000 1.386 282 H HN 0.666 nan 8.280 nan 0.000 0.516 283 Y N 0.427 120.771 120.300 0.073 0.000 2.242 283 Y HA -0.185 4.365 4.550 -0.001 0.000 0.291 283 Y C 2.383 178.300 175.900 0.027 0.000 1.137 283 Y CA 1.124 59.245 58.100 0.034 0.000 1.181 283 Y CB -0.420 38.043 38.460 0.005 0.000 0.989 283 Y HN 0.133 nan 8.280 nan 0.000 0.527 284 C N 0.152 119.522 119.300 0.116 0.000 2.457 284 C HA -0.072 4.387 4.460 -0.001 0.000 0.278 284 C C 2.713 177.684 174.990 -0.032 0.000 1.309 284 C CA 1.197 60.250 59.018 0.059 0.000 1.735 284 C CB -1.118 26.681 27.740 0.098 0.000 1.992 284 C HN 0.564 nan 8.230 nan 0.000 0.493 285 R N 2.132 122.574 120.500 -0.096 0.000 2.080 285 R HA -0.112 4.228 4.340 -0.001 0.000 0.236 285 R C 1.481 177.704 176.300 -0.129 0.000 1.137 285 R CA 2.098 58.089 56.100 -0.182 0.000 0.943 285 R CB -1.025 29.178 30.300 -0.161 0.000 0.846 285 R HN 0.412 nan 8.270 nan 0.000 0.431 286 D N -0.162 120.149 120.400 -0.149 0.000 2.311 286 D HA -0.119 4.521 4.640 -0.001 0.000 0.212 286 D C 0.430 176.601 176.300 -0.214 0.000 0.972 286 D CA 1.012 54.906 54.000 -0.177 0.000 0.887 286 D CB -0.053 40.626 40.800 -0.202 0.000 0.915 286 D HN 0.381 nan 8.370 nan 0.000 0.497 287 N N -1.178 117.377 118.700 -0.241 0.000 2.143 287 N HA 0.134 4.874 4.740 -0.001 0.000 0.229 287 N C 0.772 176.253 175.510 -0.048 0.000 1.294 287 N CA 0.434 53.355 53.050 -0.214 0.000 0.883 287 N CB 1.908 40.124 38.487 -0.453 0.000 1.148 287 N HN 0.091 nan 8.380 nan 0.000 0.511 288 G N 1.595 110.428 108.800 0.056 0.000 2.160 288 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.251 288 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.251 288 G C -0.179 174.759 174.900 0.065 0.000 1.008 288 G CA 0.074 45.246 45.100 0.119 0.000 0.724 288 G HN 0.233 nan 8.290 nan 0.000 0.514 289 L N 0.319 121.639 121.223 0.163 0.000 2.289 289 L HA 0.547 4.886 4.340 -0.001 0.000 0.285 289 L C 1.181 178.124 176.870 0.121 0.000 1.049 289 L CA -1.081 53.813 54.840 0.089 0.000 0.804 289 L CB 1.250 43.372 42.059 0.104 0.000 1.195 289 L HN 0.067 nan 8.230 nan 0.000 0.428 290 L N 3.888 125.081 121.223 -0.050 0.000 2.461 290 L HA 0.114 4.454 4.340 -0.001 0.000 0.272 290 L C -0.307 176.496 176.870 -0.111 0.000 1.197 290 L CA -0.064 54.740 54.840 -0.059 0.000 0.836 290 L CB 0.473 42.418 42.059 -0.190 0.000 1.105 290 L HN 0.395 nan 8.230 nan 0.000 0.477 291 L N 3.049 124.187 121.223 -0.141 0.000 2.388 291 L HA 0.323 4.663 4.340 -0.001 0.000 0.267 291 L C -0.484 176.215 176.870 -0.286 0.000 0.995 291 L CA -0.264 54.480 54.840 -0.159 0.000 0.864 291 L CB 0.874 42.894 42.059 -0.064 0.000 1.216 291 L HN 0.463 nan 8.230 nan 0.000 0.430 292 H N 5.182 123.940 119.070 -0.520 0.000 2.690 292 H HA 0.512 5.067 4.556 -0.000 0.000 0.314 292 H C -0.726 174.497 175.328 -0.176 0.000 1.069 292 H CA -0.294 55.423 56.048 -0.552 0.000 1.436 292 H CB 0.637 29.789 29.762 -1.015 0.000 1.462 292 H HN 0.497 nan 8.280 nan 0.000 0.511 293 I N 5.808 126.063 120.570 -0.525 0.000 2.377 293 I HA 0.130 4.300 4.170 -0.001 0.000 0.293 293 I C 0.094 176.090 176.117 -0.201 0.000 0.987 293 I CA -0.431 60.718 61.300 -0.251 0.000 1.185 293 I CB 1.101 38.942 38.000 -0.265 0.000 1.341 293 I HN 0.742 nan 8.210 nan 0.000 0.455 294 H N 7.404 126.434 119.070 -0.066 0.000 2.472 294 H HA 0.376 4.932 4.556 -0.000 0.000 0.338 294 H C 0.057 175.371 175.328 -0.024 0.000 1.133 294 H CA -0.562 55.407 56.048 -0.131 0.000 1.216 294 H CB 1.607 31.313 29.762 -0.094 0.000 1.497 294 H HN 0.607 nan 8.280 nan 0.000 0.500 295 R N 3.044 123.343 120.500 -0.336 0.000 2.702 295 R HA 0.440 4.780 4.340 -0.001 0.000 0.314 295 R C 0.070 176.368 176.300 -0.003 0.000 1.152 295 R CA -0.513 55.573 56.100 -0.024 0.000 1.097 295 R CB -0.003 30.253 30.300 -0.073 0.000 1.343 295 R HN 0.372 nan 8.270 nan 0.000 0.575 296 A N 1.583 124.489 122.820 0.143 0.000 2.598 296 A HA 0.038 4.358 4.320 -0.001 0.000 0.239 296 A C 0.969 178.552 177.584 -0.001 0.000 1.032 296 A CA 0.908 53.034 52.037 0.149 0.000 0.760 296 A CB -0.134 18.965 19.000 0.166 0.000 0.946 296 A HN 0.861 nan 8.150 nan 0.000 0.512 297 M N 0.268 119.848 119.600 -0.034 0.000 3.023 297 M HA -0.289 4.191 4.480 -0.001 0.000 0.214 297 M C 1.045 177.273 176.300 -0.120 0.000 0.575 297 M CA 1.810 57.052 55.300 -0.096 0.000 0.820 297 M CB -1.996 30.536 32.600 -0.113 0.000 2.925 297 M HN 1.265 nan 8.290 nan 0.000 0.297 298 H N -0.789 118.202 119.070 -0.131 0.000 2.353 298 H HA 0.245 4.800 4.556 -0.001 0.000 0.300 298 H C 1.739 177.011 175.328 -0.094 0.000 1.090 298 H CA 1.964 57.953 56.048 -0.098 0.000 1.327 298 H CB -0.587 29.137 29.762 -0.064 0.000 1.383 298 H HN 0.477 nan 8.280 nan 0.000 0.508 299 A N 1.251 123.496 122.820 -0.958 0.000 2.121 299 A HA -0.045 4.275 4.320 -0.001 0.000 0.218 299 A C 2.489 179.904 177.584 -0.281 0.000 1.154 299 A CA 1.147 52.815 52.037 -0.615 0.000 0.679 299 A CB -0.839 17.768 19.000 -0.655 0.000 0.795 299 A HN 0.367 nan 8.150 nan 0.000 0.458 300 V N -0.271 119.513 119.914 -0.216 0.000 2.392 300 V HA -0.279 3.841 4.120 -0.001 0.000 0.249 300 V C 2.255 178.296 176.094 -0.089 0.000 1.059 300 V CA 2.300 64.523 62.300 -0.127 0.000 1.051 300 V CB -0.521 31.237 31.823 -0.108 0.000 0.658 300 V HN 0.629 nan 8.190 nan 0.000 0.455 301 I N 0.438 120.955 120.570 -0.088 0.000 2.927 301 I HA -0.020 4.150 4.170 -0.001 0.000 0.268 301 I C 1.636 177.733 176.117 -0.033 0.000 1.153 301 I CA 1.058 62.323 61.300 -0.059 0.000 1.459 301 I CB -0.077 37.881 38.000 -0.070 0.000 1.149 301 I HN 0.460 nan 8.210 nan 0.000 0.443 302 D N -0.403 119.972 120.400 -0.043 0.000 2.431 302 D HA -0.025 4.615 4.640 -0.001 0.000 0.213 302 D C 1.776 178.049 176.300 -0.045 0.000 1.130 302 D CA -0.052 53.932 54.000 -0.028 0.000 0.834 302 D CB 0.053 40.865 40.800 0.021 0.000 0.985 302 D HN -0.034 nan 8.370 nan 0.000 0.504 303 R N 0.263 120.733 120.500 -0.051 0.000 2.062 303 R HA 0.056 4.395 4.340 -0.001 0.000 0.226 303 R C 0.484 176.790 176.300 0.010 0.000 1.125 303 R CA 1.126 57.200 56.100 -0.043 0.000 0.966 303 R CB -0.111 30.146 30.300 -0.071 0.000 0.861 303 R HN 0.030 nan 8.270 nan 0.000 0.433 304 Q N 0.601 120.420 119.800 0.032 0.000 2.259 304 Q HA 0.062 4.402 4.340 -0.001 0.000 0.246 304 Q C 0.121 176.178 176.000 0.095 0.000 0.920 304 Q CA 0.047 55.887 55.803 0.061 0.000 0.895 304 Q CB 1.530 30.309 28.738 0.067 0.000 1.220 304 Q HN 0.165 nan 8.270 nan 0.000 0.439 305 K N 2.029 122.488 120.400 0.098 0.000 2.228 305 K HA -0.105 4.215 4.320 -0.001 0.000 0.202 305 K C 1.189 177.855 176.600 0.110 0.000 1.051 305 K CA 1.167 57.522 56.287 0.113 0.000 0.960 305 K CB 0.333 32.892 32.500 0.099 0.000 0.743 305 K HN 0.568 nan 8.250 nan 0.000 0.458 306 N N -0.725 118.043 118.700 0.113 0.000 2.416 306 N HA -0.115 4.625 4.740 -0.001 0.000 0.177 306 N C -0.310 175.313 175.510 0.189 0.000 1.036 306 N CA 0.716 53.840 53.050 0.123 0.000 0.901 306 N CB 0.032 38.584 38.487 0.109 0.000 0.976 306 N HN 0.226 nan 8.380 nan 0.000 0.444 307 H N -1.477 117.652 119.070 0.099 0.000 3.026 307 H HA 0.544 5.100 4.556 -0.000 0.000 0.352 307 H C 0.098 175.516 175.328 0.150 0.000 1.090 307 H CA 0.330 56.465 56.048 0.146 0.000 1.268 307 H CB 1.402 31.236 29.762 0.120 0.000 1.816 307 H HN 0.318 nan 8.280 nan 0.000 0.518 308 G N 2.545 111.358 108.800 0.021 0.000 2.250 308 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.196 308 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.196 308 G C -1.450 173.470 174.900 0.034 0.000 1.308 308 G CA -0.348 44.775 45.100 0.038 0.000 1.207 308 G HN 0.632 nan 8.290 nan 0.000 0.505 309 M N 0.806 120.394 119.600 -0.019 0.000 2.326 309 M HA 0.392 4.872 4.480 -0.001 0.000 0.292 309 M C -0.287 176.035 176.300 0.038 0.000 1.081 309 M CA -0.808 54.478 55.300 -0.023 0.000 0.919 309 M CB 2.376 34.880 32.600 -0.161 0.000 1.634 309 M HN 0.742 nan 8.290 nan 0.000 0.451 310 H N 1.810 120.888 119.070 0.013 0.000 2.771 310 H HA 0.053 4.608 4.556 -0.000 0.000 0.364 310 H C 0.174 175.561 175.328 0.099 0.000 1.133 310 H CA 0.810 56.903 56.048 0.075 0.000 1.423 310 H CB 0.852 30.654 29.762 0.066 0.000 1.425 310 H HN 0.782 nan 8.280 nan 0.000 0.606 311 F N 4.767 124.445 119.950 -0.454 0.000 2.202 311 F HA -0.208 4.319 4.527 -0.000 0.000 0.301 311 F C 2.600 178.355 175.800 -0.075 0.000 1.082 311 F CA 1.689 59.542 58.000 -0.244 0.000 1.313 311 F CB -0.147 38.590 39.000 -0.438 0.000 1.024 311 F HN 0.671 nan 8.300 nan 0.000 0.495 312 R N -0.236 120.368 120.500 0.173 0.000 2.105 312 R HA -0.131 4.209 4.340 -0.001 0.000 0.239 312 R C 1.829 178.098 176.300 -0.051 0.000 1.135 312 R CA 2.017 58.128 56.100 0.019 0.000 0.967 312 R CB -1.524 28.932 30.300 0.260 0.000 0.861 312 R HN 0.280 nan 8.270 nan 0.000 0.442 313 V N 2.060 121.990 119.914 0.027 0.000 2.358 313 V HA -0.189 3.931 4.120 -0.001 0.000 0.246 313 V C 2.512 178.661 176.094 0.091 0.000 1.047 313 V CA 1.617 63.949 62.300 0.053 0.000 1.035 313 V CB -0.440 31.404 31.823 0.035 0.000 0.658 313 V HN 0.289 nan 8.190 nan 0.000 0.452 314 L N 0.079 121.310 121.223 0.013 0.000 2.141 314 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 314 L C 2.681 179.532 176.870 -0.032 0.000 1.094 314 L CA 1.344 56.272 54.840 0.147 0.000 0.763 314 L CB -0.786 41.364 42.059 0.153 0.000 0.908 314 L HN 0.357 nan 8.230 nan 0.000 0.437 315 A N 0.198 122.703 122.820 -0.525 0.000 1.897 315 A HA -0.166 4.154 4.320 -0.001 0.000 0.215 315 A C 2.350 179.816 177.584 -0.197 0.000 1.181 315 A CA 1.299 53.017 52.037 -0.531 0.000 0.620 315 A CB -0.246 18.261 19.000 -0.822 0.000 0.821 315 A HN 0.261 nan 8.150 nan 0.000 0.443 316 K N -0.252 120.110 120.400 -0.062 0.000 2.097 316 K HA -0.065 4.255 4.320 -0.001 0.000 0.206 316 K C 2.266 178.877 176.600 0.018 0.000 1.049 316 K CA 1.088 57.435 56.287 0.101 0.000 0.933 316 K CB -0.286 32.324 32.500 0.183 0.000 0.717 316 K HN 0.440 nan 8.250 nan 0.000 0.442 317 A N 1.681 124.493 122.820 -0.013 0.000 1.930 317 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 317 A C 2.027 179.575 177.584 -0.060 0.000 1.175 317 A CA 0.937 52.874 52.037 -0.166 0.000 0.627 317 A CB -0.510 18.347 19.000 -0.237 0.000 0.815 317 A HN 0.234 nan 8.150 nan 0.000 0.443 318 L N -0.343 120.900 121.223 0.033 0.000 2.046 318 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 318 L C 2.500 179.265 176.870 -0.176 0.000 1.077 318 L CA 2.310 57.070 54.840 -0.133 0.000 0.747 318 L CB -0.788 40.967 42.059 -0.507 0.000 0.896 318 L HN 0.521 nan 8.230 nan 0.000 0.432 319 R N -0.465 119.911 120.500 -0.207 0.000 2.096 319 R HA -0.170 4.170 4.340 -0.001 0.000 0.235 319 R C 2.397 178.576 176.300 -0.201 0.000 1.127 319 R CA 1.314 57.251 56.100 -0.272 0.000 0.968 319 R CB -0.082 29.919 30.300 -0.500 0.000 0.861 319 R HN 0.400 nan 8.270 nan 0.000 0.440 320 L N -0.750 120.355 121.223 -0.197 0.000 1.988 320 L HA -0.144 4.196 4.340 -0.001 0.000 0.207 320 L C 2.624 179.466 176.870 -0.047 0.000 1.071 320 L CA 1.493 56.150 54.840 -0.306 0.000 0.744 320 L CB -0.676 40.859 42.059 -0.874 0.000 0.893 320 L HN 0.244 nan 8.230 nan 0.000 0.433 321 S N -0.857 114.838 115.700 -0.007 0.000 2.359 321 S HA -0.000 4.469 4.470 -0.001 0.000 0.224 321 S C 0.829 175.477 174.600 0.079 0.000 1.035 321 S CA 1.177 59.452 58.200 0.125 0.000 1.018 321 S CB -0.284 63.043 63.200 0.211 0.000 0.876 321 S HN 0.627 nan 8.310 nan 0.000 0.448 322 G N -1.748 107.052 108.800 0.001 0.000 2.634 322 G HA2 0.443 4.403 3.960 -0.001 0.000 0.568 322 G HA3 0.443 4.403 3.960 -0.001 0.000 0.568 322 G C -0.372 174.479 174.900 -0.081 0.000 1.495 322 G CA -0.418 44.662 45.100 -0.033 0.000 0.903 322 G HN 1.079 nan 8.290 nan 0.000 0.646 323 G N 0.184 108.917 108.800 -0.112 0.000 2.616 323 G HA2 0.599 4.559 3.960 -0.001 0.000 0.294 323 G HA3 0.599 4.559 3.960 -0.001 0.000 0.294 323 G C -0.209 174.628 174.900 -0.105 0.000 1.489 323 G CA 0.217 45.243 45.100 -0.123 0.000 0.836 323 G HN 0.390 nan 8.290 nan 0.000 0.527 324 D N -0.546 119.801 120.400 -0.087 0.000 2.301 324 D HA 0.088 4.728 4.640 -0.001 0.000 0.206 324 D C 0.336 176.696 176.300 0.100 0.000 0.979 324 D CA 0.976 54.971 54.000 -0.008 0.000 0.874 324 D CB 0.365 41.168 40.800 0.005 0.000 0.968 324 D HN 0.541 nan 8.370 nan 0.000 0.510 325 H N -0.552 118.400 119.070 -0.196 0.000 2.679 325 H HA 0.626 5.181 4.556 -0.001 0.000 0.367 325 H C -0.681 174.461 175.328 -0.311 0.000 1.162 325 H CA -0.807 55.100 56.048 -0.235 0.000 1.181 325 H CB 3.065 32.674 29.762 -0.255 0.000 1.693 325 H HN -0.123 nan 8.280 nan 0.000 0.538 326 I N 1.465 121.960 120.570 -0.126 0.000 2.752 326 I HA 0.160 4.330 4.170 -0.001 0.000 0.295 326 I C -0.583 175.499 176.117 -0.058 0.000 1.219 326 I CA -0.612 60.609 61.300 -0.131 0.000 1.030 326 I CB 2.031 39.964 38.000 -0.112 0.000 1.259 326 I HN 0.673 nan 8.210 nan 0.000 0.423 327 H N 4.678 123.641 119.070 -0.179 0.000 2.848 327 H HA 0.122 4.678 4.556 -0.001 0.000 0.341 327 H C 0.460 175.716 175.328 -0.121 0.000 1.060 327 H CA 0.644 56.589 56.048 -0.172 0.000 1.444 327 H CB 1.169 30.764 29.762 -0.278 0.000 1.446 327 H HN 0.668 nan 8.280 nan 0.000 0.583 328 S N 1.561 117.264 115.700 0.005 0.000 2.632 328 S HA 0.316 4.785 4.470 -0.001 0.000 0.237 328 S C 0.896 175.619 174.600 0.203 0.000 1.037 328 S CA 0.129 58.458 58.200 0.215 0.000 1.009 328 S CB 1.182 64.588 63.200 0.343 0.000 0.974 328 S HN 1.083 nan 8.310 nan 0.000 0.544 329 G N 1.067 109.881 108.800 0.024 0.000 2.663 329 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.686 329 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.686 329 G C 0.226 175.179 174.900 0.088 0.000 1.288 329 G CA 0.148 45.273 45.100 0.042 0.000 0.836 329 G HN 0.935 nan 8.290 nan 0.000 0.584 330 T N -3.031 111.556 114.554 0.055 0.000 2.969 330 T HA 0.448 4.798 4.350 -0.001 0.000 0.250 330 T C 1.882 176.657 174.700 0.125 0.000 1.021 330 T CA 1.416 63.562 62.100 0.076 0.000 1.003 330 T CB 0.417 69.219 68.868 -0.110 0.000 1.040 330 T HN 2.274 nan 8.240 nan 0.000 0.492 331 V N 0.866 120.823 119.914 0.072 0.000 0.481 331 V HA -0.337 3.783 4.120 -0.001 0.000 0.092 331 V C 2.085 178.190 176.094 0.018 0.000 2.400 331 V CA 1.994 64.316 62.300 0.036 0.000 3.646 331 V CB -1.977 29.848 31.823 0.003 0.000 0.927 331 V HN 0.700 nan 8.190 nan 0.000 0.973 332 V N -1.120 118.782 119.914 -0.021 0.000 3.649 332 V HA 0.664 4.784 4.120 -0.001 0.000 0.275 332 V C 1.253 177.285 176.094 -0.104 0.000 1.281 332 V CA 1.438 63.721 62.300 -0.028 0.000 1.143 332 V CB -0.100 31.705 31.823 -0.031 0.000 0.892 332 V HN 0.916 nan 8.190 nan 0.000 0.441 333 G N 1.369 110.045 108.800 -0.207 0.000 2.773 333 G HA2 0.295 4.255 3.960 -0.001 0.000 0.186 333 G HA3 0.295 4.255 3.960 -0.001 0.000 0.186 333 G C 0.745 175.372 174.900 -0.455 0.000 1.411 333 G CA 0.086 44.975 45.100 -0.352 0.000 1.054 333 G HN 0.436 nan 8.290 nan 0.000 0.579 334 K N -1.001 118.947 120.400 -0.752 0.000 2.365 334 K HA 0.216 4.535 4.320 -0.001 0.000 0.197 334 K C 0.285 176.697 176.600 -0.313 0.000 1.042 334 K CA 0.280 56.078 56.287 -0.815 0.000 0.987 334 K CB -0.189 31.782 32.500 -0.881 0.000 0.779 334 K HN 0.238 nan 8.250 nan 0.000 0.484 335 L N 1.595 122.688 121.223 -0.218 0.000 2.322 335 L HA 0.354 4.694 4.340 -0.001 0.000 0.269 335 L C 0.017 176.851 176.870 -0.060 0.000 1.012 335 L CA -1.130 53.636 54.840 -0.123 0.000 0.815 335 L CB 1.668 43.666 42.059 -0.102 0.000 1.295 335 L HN 0.082 nan 8.230 nan 0.000 0.438 336 E N 0.481 120.661 120.200 -0.035 0.000 2.392 336 E HA 0.451 4.801 4.350 -0.001 0.000 0.264 336 E C -0.393 176.233 176.600 0.043 0.000 1.024 336 E CA 0.001 56.408 56.400 0.012 0.000 0.903 336 E CB 0.858 30.564 29.700 0.010 0.000 0.963 336 E HN 0.755 nan 8.360 nan 0.000 0.432 337 G N 3.879 112.721 108.800 0.071 0.000 1.984 337 G HA2 0.024 3.984 3.960 -0.001 0.000 0.313 337 G HA3 0.024 3.984 3.960 -0.001 0.000 0.313 337 G C -1.193 173.757 174.900 0.084 0.000 1.632 337 G CA -0.756 44.409 45.100 0.107 0.000 0.963 337 G HN 0.386 nan 8.290 nan 0.000 0.595 338 E N 1.718 121.975 120.200 0.094 0.000 2.360 338 E HA 0.148 4.498 4.350 -0.001 0.000 0.269 338 E C 1.421 178.024 176.600 0.004 0.000 1.022 338 E CA -0.556 55.879 56.400 0.058 0.000 0.887 338 E CB 1.966 31.712 29.700 0.076 0.000 0.990 338 E HN 0.656 nan 8.360 nan 0.000 0.426 339 R N 2.371 122.856 120.500 -0.024 0.000 2.094 339 R HA -0.208 4.132 4.340 -0.001 0.000 0.239 339 R C 0.817 177.051 176.300 -0.109 0.000 1.137 339 R CA 1.984 58.035 56.100 -0.083 0.000 0.943 339 R CB 0.153 30.412 30.300 -0.069 0.000 0.850 339 R HN 0.436 nan 8.270 nan 0.000 0.433 340 D N 0.058 120.418 120.400 -0.066 0.000 2.123 340 D HA -0.087 4.553 4.640 -0.001 0.000 0.200 340 D C 1.973 178.224 176.300 -0.082 0.000 0.976 340 D CA 0.985 54.942 54.000 -0.071 0.000 0.831 340 D CB -0.142 40.636 40.800 -0.037 0.000 0.974 340 D HN 0.313 nan 8.370 nan 0.000 0.469 341 I N 0.906 121.454 120.570 -0.038 0.000 2.208 341 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 341 I C 2.179 178.156 176.117 -0.234 0.000 1.097 341 I CA 1.090 62.393 61.300 0.005 0.000 1.363 341 I CB -0.209 37.899 38.000 0.180 0.000 1.051 341 I HN -0.010 nan 8.210 nan 0.000 0.413 342 T N 1.015 115.331 114.554 -0.397 0.000 2.812 342 T HA -0.067 4.283 4.350 -0.001 0.000 0.264 342 T C 1.928 176.189 174.700 -0.732 0.000 1.042 342 T CA 1.058 62.611 62.100 -0.911 0.000 1.140 342 T CB -0.230 68.402 68.868 -0.393 0.000 0.870 342 T HN 0.231 nan 8.240 nan 0.000 0.445 343 L N 0.778 121.770 121.223 -0.385 0.000 2.083 343 L HA 0.003 4.343 4.340 -0.001 0.000 0.209 343 L C 2.977 179.740 176.870 -0.179 0.000 1.083 343 L CA 1.205 55.891 54.840 -0.257 0.000 0.752 343 L CB -1.022 40.925 42.059 -0.188 0.000 0.899 343 L HN 0.347 nan 8.230 nan 0.000 0.433 344 G N 1.206 109.909 108.800 -0.160 0.000 2.491 344 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.218 344 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.218 344 G C 1.288 176.213 174.900 0.042 0.000 1.180 344 G CA 1.246 46.322 45.100 -0.041 0.000 0.774 344 G HN 0.492 nan 8.290 nan 0.000 0.562 345 F N 0.373 120.396 119.950 0.122 0.000 2.615 345 F HA 0.327 4.853 4.527 -0.001 0.000 0.297 345 F C 2.169 178.040 175.800 0.118 0.000 1.124 345 F CA -0.216 57.864 58.000 0.134 0.000 1.451 345 F CB -0.846 38.262 39.000 0.181 0.000 1.103 345 F HN -0.010 nan 8.300 nan 0.000 0.569 346 V N 1.500 121.493 119.914 0.132 0.000 2.295 346 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 346 V C 2.165 178.331 176.094 0.120 0.000 1.049 346 V CA 2.390 64.794 62.300 0.174 0.000 1.024 346 V CB -0.676 31.209 31.823 0.103 0.000 0.648 346 V HN 0.241 nan 8.190 nan 0.000 0.447 347 D N 0.107 120.554 120.400 0.079 0.000 2.117 347 D HA -0.130 4.510 4.640 -0.001 0.000 0.197 347 D C 2.120 178.492 176.300 0.120 0.000 0.987 347 D CA 1.160 55.208 54.000 0.082 0.000 0.829 347 D CB -0.328 40.509 40.800 0.062 0.000 0.961 347 D HN 0.337 nan 8.370 nan 0.000 0.460 348 L N 0.100 121.426 121.223 0.172 0.000 2.187 348 L HA -0.148 4.192 4.340 -0.001 0.000 0.213 348 L C 2.318 179.249 176.870 0.101 0.000 1.100 348 L CA 0.587 55.578 54.840 0.251 0.000 0.765 348 L CB -0.211 42.023 42.059 0.292 0.000 0.904 348 L HN 0.061 nan 8.230 nan 0.000 0.437 349 L N -1.323 119.913 121.223 0.022 0.000 2.249 349 L HA -0.015 4.325 4.340 -0.001 0.000 0.207 349 L C 2.539 179.298 176.870 -0.185 0.000 1.090 349 L CA 0.640 55.400 54.840 -0.133 0.000 0.802 349 L CB -0.139 41.911 42.059 -0.016 0.000 0.947 349 L HN 0.120 nan 8.230 nan 0.000 0.453 350 R N -1.005 119.452 120.500 -0.073 0.000 2.237 350 R HA 0.112 4.452 4.340 -0.001 0.000 0.195 350 R C -0.230 176.044 176.300 -0.045 0.000 0.956 350 R CA 0.112 56.178 56.100 -0.056 0.000 1.029 350 R CB 0.353 30.659 30.300 0.011 0.000 0.972 350 R HN 0.212 nan 8.270 nan 0.000 0.493 351 D N -0.222 120.174 120.400 -0.006 0.000 2.384 351 D HA 0.038 4.678 4.640 -0.001 0.000 0.250 351 D C 0.051 176.446 176.300 0.157 0.000 1.029 351 D CA -0.341 53.708 54.000 0.082 0.000 0.990 351 D CB 1.415 42.292 40.800 0.129 0.000 1.175 351 D HN -0.186 nan 8.370 nan 0.000 0.532 352 D N -1.253 119.282 120.400 0.225 0.000 2.347 352 D HA -0.050 4.590 4.640 -0.001 0.000 0.213 352 D C -0.794 175.784 176.300 0.462 0.000 0.985 352 D CA 0.453 54.650 54.000 0.328 0.000 0.879 352 D CB 0.245 41.177 40.800 0.221 0.000 0.919 352 D HN 0.266 nan 8.370 nan 0.000 0.526 353 Y N -0.781 119.662 120.300 0.239 0.000 2.424 353 Y HA 0.381 4.931 4.550 -0.001 0.000 0.323 353 Y C -1.723 174.262 175.900 0.143 0.000 1.174 353 Y CA -0.762 57.432 58.100 0.156 0.000 1.060 353 Y CB 1.484 40.000 38.460 0.093 0.000 1.314 353 Y HN -0.288 nan 8.280 nan 0.000 0.439 354 T N 5.523 119.787 114.554 -0.483 0.000 3.011 354 T HA 0.233 4.583 4.350 -0.001 0.000 0.303 354 T C -1.064 173.354 174.700 -0.471 0.000 0.997 354 T CA -0.738 61.172 62.100 -0.316 0.000 1.007 354 T CB 1.514 70.359 68.868 -0.039 0.000 1.017 354 T HN 0.654 nan 8.240 nan 0.000 0.443 355 E N 2.179 122.164 120.200 -0.359 0.000 2.366 355 E HA 0.196 4.546 4.350 -0.001 0.000 0.266 355 E C 0.239 176.785 176.600 -0.091 0.000 1.051 355 E CA -0.645 55.624 56.400 -0.218 0.000 0.884 355 E CB 0.721 30.389 29.700 -0.054 0.000 1.006 355 E HN 0.427 nan 8.360 nan 0.000 0.417 356 K N 2.575 122.948 120.400 -0.045 0.000 2.548 356 K HA -0.188 4.132 4.320 -0.001 0.000 0.277 356 K C -0.928 175.648 176.600 -0.040 0.000 1.001 356 K CA 0.946 57.219 56.287 -0.022 0.000 1.102 356 K CB 0.234 32.728 32.500 -0.010 0.000 0.848 356 K HN 0.377 nan 8.250 nan 0.000 0.487 357 D N 3.983 124.350 120.400 -0.056 0.000 2.474 357 D HA 0.138 4.777 4.640 -0.001 0.000 0.234 357 D C 0.285 176.524 176.300 -0.101 0.000 1.323 357 D CA -0.468 53.494 54.000 -0.063 0.000 0.915 357 D CB 0.448 41.226 40.800 -0.037 0.000 1.487 357 D HN 0.484 nan 8.370 nan 0.000 0.524 358 R N 0.550 120.957 120.500 -0.155 0.000 2.159 358 R HA -0.090 4.250 4.340 -0.001 0.000 0.237 358 R C 1.856 178.063 176.300 -0.154 0.000 1.131 358 R CA 1.302 57.258 56.100 -0.239 0.000 0.982 358 R CB -0.619 29.522 30.300 -0.265 0.000 0.868 358 R HN 0.501 nan 8.270 nan 0.000 0.453 359 S N 0.165 115.809 115.700 -0.094 0.000 2.474 359 S HA -0.053 4.417 4.470 -0.001 0.000 0.235 359 S C 1.535 176.107 174.600 -0.046 0.000 0.997 359 S CA 0.608 58.772 58.200 -0.061 0.000 0.949 359 S CB 0.002 63.176 63.200 -0.044 0.000 0.766 359 S HN 0.277 nan 8.310 nan 0.000 0.517 360 R N 0.273 120.745 120.500 -0.048 0.000 2.468 360 R HA 0.324 4.664 4.340 -0.001 0.000 0.280 360 R C 1.202 177.495 176.300 -0.012 0.000 0.963 360 R CA 0.319 56.401 56.100 -0.030 0.000 1.083 360 R CB 0.279 30.560 30.300 -0.032 0.000 1.200 360 R HN 0.531 nan 8.270 nan 0.000 0.541 361 G N 1.727 110.505 108.800 -0.036 0.000 2.148 361 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.254 361 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.254 361 G C 0.147 175.106 174.900 0.099 0.000 0.981 361 G CA -0.178 44.929 45.100 0.012 0.000 0.670 361 G HN 0.286 nan 8.290 nan 0.000 0.528 362 I N 0.927 121.512 120.570 0.026 0.000 2.281 362 I HA 0.295 4.465 4.170 -0.001 0.000 0.293 362 I C 1.243 177.372 176.117 0.020 0.000 1.085 362 I CA -0.869 60.481 61.300 0.084 0.000 1.257 362 I CB 0.375 38.404 38.000 0.048 0.000 1.430 362 I HN 0.052 nan 8.210 nan 0.000 0.489 363 Y N 5.351 125.575 120.300 -0.126 0.000 2.519 363 Y HA 0.170 4.720 4.550 -0.001 0.000 0.287 363 Y C 0.141 175.786 175.900 -0.424 0.000 1.128 363 Y CA 0.338 58.249 58.100 -0.315 0.000 1.282 363 Y CB -0.072 38.068 38.460 -0.533 0.000 1.027 363 Y HN 0.314 nan 8.280 nan 0.000 0.551 364 F N -1.953 118.109 119.950 0.188 0.000 2.608 364 F HA 0.337 4.863 4.527 -0.001 0.000 0.309 364 F C 0.090 175.896 175.800 0.010 0.000 1.103 364 F CA -1.665 56.401 58.000 0.110 0.000 0.954 364 F CB 1.039 40.104 39.000 0.109 0.000 1.267 364 F HN -0.499 nan 8.300 nan 0.000 0.444 365 T N 2.067 116.725 114.554 0.173 0.000 2.916 365 T HA 0.315 4.665 4.350 -0.001 0.000 0.303 365 T C -0.523 174.146 174.700 -0.051 0.000 1.025 365 T CA 0.086 62.179 62.100 -0.012 0.000 1.142 365 T CB 0.714 69.572 68.868 -0.017 0.000 0.947 365 T HN 0.495 nan 8.240 nan 0.000 0.544 366 Q N 1.954 121.644 119.800 -0.183 0.000 2.305 366 Q HA 0.531 4.870 4.340 -0.001 0.000 0.271 366 Q C -1.356 174.455 176.000 -0.315 0.000 1.046 366 Q CA -0.416 55.233 55.803 -0.256 0.000 0.798 366 Q CB 1.647 30.238 28.738 -0.246 0.000 1.286 366 Q HN 0.587 nan 8.270 nan 0.000 0.435 367 S N 3.007 118.518 115.700 -0.315 0.000 2.532 367 S HA 0.470 4.940 4.470 -0.001 0.000 0.301 367 S C -0.793 173.579 174.600 -0.381 0.000 1.083 367 S CA -0.503 57.609 58.200 -0.146 0.000 1.025 367 S CB 0.609 63.848 63.200 0.065 0.000 1.056 367 S HN 0.820 nan 8.310 nan 0.000 0.494 368 W N 1.068 122.412 121.300 0.072 0.000 3.008 368 W HA 0.215 4.875 4.660 0.000 0.000 0.355 368 W C 0.587 177.126 176.519 0.033 0.000 1.095 368 W CA -0.497 56.868 57.345 0.033 0.000 1.738 368 W CB -0.023 29.451 29.460 0.023 0.000 1.091 368 W HN 0.611 nan 8.180 nan 0.000 0.574 369 V N -0.070 119.961 119.914 0.195 0.000 5.404 369 V HA -0.397 3.722 4.120 -0.001 0.000 0.249 369 V C 0.747 176.923 176.094 0.137 0.000 0.682 369 V CA 0.812 63.192 62.300 0.134 0.000 0.608 369 V CB -2.449 29.426 31.823 0.088 0.000 0.311 369 V HN 0.470 nan 8.190 nan 0.000 0.680 370 S N -1.936 113.858 115.700 0.156 0.000 3.127 370 S HA -0.218 4.252 4.470 -0.001 0.000 0.281 370 S C 0.729 175.390 174.600 0.100 0.000 1.293 370 S CA 1.338 59.607 58.200 0.114 0.000 1.156 370 S CB -1.730 61.515 63.200 0.075 0.000 1.389 370 S HN 1.651 nan 8.310 nan 0.000 0.672 371 T N 3.757 118.399 114.554 0.146 0.000 2.819 371 T HA 0.194 4.544 4.350 -0.001 0.000 0.282 371 T C -1.849 172.837 174.700 -0.024 0.000 1.013 371 T CA -0.138 62.008 62.100 0.076 0.000 1.159 371 T CB 0.012 68.964 68.868 0.139 0.000 1.007 371 T HN 0.151 nan 8.240 nan 0.000 0.514 372 P HA 0.192 nan 4.420 nan 0.000 0.267 372 P C 0.431 177.650 177.300 -0.135 0.000 1.201 372 P CA -0.126 62.939 63.100 -0.059 0.000 0.775 372 P CB 0.374 32.050 31.700 -0.041 0.000 0.854 373 G N 0.917 109.652 108.800 -0.108 0.000 2.448 373 G HA2 0.456 4.416 3.960 -0.001 0.000 0.285 373 G HA3 0.456 4.416 3.960 -0.001 0.000 0.285 373 G C -0.798 174.032 174.900 -0.116 0.000 1.176 373 G CA -0.443 44.566 45.100 -0.151 0.000 0.852 373 G HN 0.347 nan 8.290 nan 0.000 0.530 374 V N 2.200 122.027 119.914 -0.145 0.000 2.439 374 V HA 0.257 4.377 4.120 -0.001 0.000 0.282 374 V C 0.539 176.596 176.094 -0.062 0.000 1.039 374 V CA -0.653 61.587 62.300 -0.100 0.000 0.913 374 V CB 1.468 33.204 31.823 -0.144 0.000 0.983 374 V HN 0.556 nan 8.190 nan 0.000 0.460 375 L N 7.927 129.122 121.223 -0.046 0.000 2.361 375 L HA 0.296 4.636 4.340 -0.001 0.000 0.278 375 L C -1.947 174.845 176.870 -0.129 0.000 1.113 375 L CA -1.373 53.411 54.840 -0.095 0.000 0.849 375 L CB 1.469 43.408 42.059 -0.200 0.000 1.155 375 L HN 0.457 nan 8.230 nan 0.000 0.452 376 P HA 0.118 nan 4.420 nan 0.000 0.281 376 P C -0.899 176.238 177.300 -0.271 0.000 1.252 376 P CA -0.233 62.805 63.100 -0.103 0.000 0.778 376 P CB 1.511 33.230 31.700 0.031 0.000 0.895 377 V N 3.239 122.970 119.914 -0.305 0.000 2.417 377 V HA 0.544 4.663 4.120 -0.001 0.000 0.291 377 V C 0.502 176.298 176.094 -0.496 0.000 1.024 377 V CA -0.783 61.265 62.300 -0.420 0.000 0.861 377 V CB 1.286 32.837 31.823 -0.454 0.000 0.985 377 V HN 0.680 nan 8.190 nan 0.000 0.436 378 A N 3.974 126.457 122.820 -0.562 0.000 2.260 378 A HA 0.837 5.157 4.320 -0.001 0.000 0.314 378 A C 0.022 177.361 177.584 -0.408 0.000 1.257 378 A CA -0.234 51.489 52.037 -0.523 0.000 0.871 378 A CB 1.017 19.596 19.000 -0.701 0.000 1.166 378 A HN 1.016 nan 8.150 nan 0.000 0.522 379 S N 1.849 117.370 115.700 -0.298 0.000 2.550 379 S HA 0.759 5.229 4.470 -0.001 0.000 0.270 379 S C -0.449 174.045 174.600 -0.177 0.000 1.145 379 S CA 0.441 58.490 58.200 -0.252 0.000 0.852 379 S CB 1.332 64.448 63.200 -0.140 0.000 1.119 379 S HN 2.630 nan 8.310 nan 0.000 0.465 380 G N 1.009 109.689 108.800 -0.200 0.000 2.607 380 G HA2 0.458 4.417 3.960 -0.001 0.000 0.613 380 G HA3 0.458 4.417 3.960 -0.001 0.000 0.613 380 G C 0.924 175.655 174.900 -0.281 0.000 1.099 380 G CA 0.410 45.402 45.100 -0.180 0.000 1.280 380 G HN 2.351 nan 8.290 nan 0.000 0.573 381 G N -0.062 108.591 108.800 -0.245 0.000 2.132 381 G HA2 0.029 3.988 3.960 -0.001 0.000 0.228 381 G HA3 0.029 3.988 3.960 -0.001 0.000 0.228 381 G C 0.507 175.351 174.900 -0.094 0.000 1.000 381 G CA 0.608 45.542 45.100 -0.276 0.000 0.693 381 G HN 2.218 nan 8.290 nan 0.000 0.515 382 I N -2.093 118.406 120.570 -0.119 0.000 2.863 382 I HA 0.996 5.166 4.170 -0.001 0.000 0.311 382 I C 0.155 176.458 176.117 0.310 0.000 1.026 382 I CA -1.460 59.819 61.300 -0.034 0.000 1.077 382 I CB 1.839 39.652 38.000 -0.311 0.000 1.262 382 I HN 0.322 nan 8.210 nan 0.000 0.461 383 H N 0.410 119.842 119.070 0.604 0.000 2.928 383 H HA 0.423 4.979 4.556 -0.000 0.000 0.285 383 H C 0.612 176.030 175.328 0.151 0.000 1.438 383 H CA -0.425 55.733 56.048 0.184 0.000 1.176 383 H CB 0.555 30.133 29.762 -0.307 0.000 1.864 383 H HN 0.370 nan 8.280 nan 0.000 0.567 384 V N -2.784 117.192 119.914 0.103 0.000 2.370 384 V HA -0.279 3.840 4.120 -0.001 0.000 0.252 384 V C 1.265 177.338 176.094 -0.035 0.000 1.068 384 V CA 1.988 64.231 62.300 -0.094 0.000 1.061 384 V CB -1.209 30.471 31.823 -0.238 0.000 0.656 384 V HN 0.785 nan 8.190 nan 0.000 0.455 385 W N -0.362 121.050 121.300 0.186 0.000 2.519 385 W HA 0.088 4.747 4.660 -0.001 0.000 0.266 385 W C 2.591 179.063 176.519 -0.078 0.000 1.253 385 W CA 0.942 58.311 57.345 0.040 0.000 1.274 385 W CB -0.451 29.052 29.460 0.072 0.000 1.114 385 W HN 0.342 nan 8.180 nan 0.000 0.596 386 H N -0.527 118.627 119.070 0.140 0.000 2.559 386 H HA -0.030 4.525 4.556 -0.000 0.000 0.273 386 H C 1.840 177.246 175.328 0.131 0.000 1.000 386 H CA 0.985 57.084 56.048 0.085 0.000 1.195 386 H CB -0.301 29.453 29.762 -0.013 0.000 1.368 386 H HN 0.197 nan 8.280 nan 0.000 0.592 387 M N 1.334 121.068 119.600 0.223 0.000 2.080 387 M HA -0.048 4.432 4.480 -0.001 0.000 0.260 387 M C -0.886 175.508 176.300 0.157 0.000 1.068 387 M CA 1.406 56.816 55.300 0.183 0.000 1.109 387 M CB -0.881 31.765 32.600 0.076 0.000 1.342 387 M HN 0.047 nan 8.290 nan 0.000 0.405 388 P HA -0.146 nan 4.420 nan 0.000 0.214 388 P C 1.157 178.528 177.300 0.118 0.000 1.163 388 P CA 2.411 65.581 63.100 0.117 0.000 0.889 388 P CB -0.350 31.420 31.700 0.117 0.000 0.790 389 A N -0.852 122.050 122.820 0.136 0.000 1.902 389 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 389 A C 2.270 179.924 177.584 0.116 0.000 1.181 389 A CA 1.575 53.680 52.037 0.114 0.000 0.623 389 A CB -1.706 17.374 19.000 0.134 0.000 0.818 389 A HN 0.097 nan 8.150 nan 0.000 0.443 390 L N -0.718 120.610 121.223 0.175 0.000 2.012 390 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 390 L C 2.825 179.845 176.870 0.250 0.000 1.073 390 L CA 1.878 56.868 54.840 0.250 0.000 0.748 390 L CB -1.045 41.158 42.059 0.240 0.000 0.891 390 L HN 0.358 nan 8.230 nan 0.000 0.431 391 T N -1.152 113.508 114.554 0.177 0.000 2.720 391 T HA -0.227 4.123 4.350 -0.001 0.000 0.268 391 T C 1.840 176.602 174.700 0.103 0.000 1.037 391 T CA 1.405 63.590 62.100 0.141 0.000 1.144 391 T CB -0.189 68.744 68.868 0.108 0.000 0.864 391 T HN 0.313 nan 8.240 nan 0.000 0.444 392 E N 0.872 121.116 120.200 0.072 0.000 2.072 392 E HA -0.059 4.290 4.350 -0.001 0.000 0.191 392 E C 2.191 178.773 176.600 -0.029 0.000 0.985 392 E CA 0.849 57.265 56.400 0.027 0.000 0.801 392 E CB -0.204 29.510 29.700 0.024 0.000 0.750 392 E HN 0.513 nan 8.360 nan 0.000 0.452 393 I N -0.417 120.102 120.570 -0.086 0.000 2.233 393 I HA -0.222 3.947 4.170 -0.001 0.000 0.243 393 I C 1.867 177.745 176.117 -0.399 0.000 1.093 393 I CA 1.053 62.163 61.300 -0.317 0.000 1.380 393 I CB -0.160 37.513 38.000 -0.545 0.000 1.067 393 I HN 0.023 nan 8.210 nan 0.000 0.413 394 F N 0.136 120.085 119.950 -0.002 0.000 2.622 394 F HA 0.362 4.889 4.527 -0.001 0.000 0.288 394 F C 1.580 177.383 175.800 0.005 0.000 1.120 394 F CA 0.556 58.553 58.000 -0.006 0.000 1.423 394 F CB -0.524 38.469 39.000 -0.011 0.000 1.127 394 F HN 0.122 nan 8.300 nan 0.000 0.588 395 G N 0.762 109.661 108.800 0.164 0.000 2.698 395 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.233 395 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.233 395 G C 0.247 175.216 174.900 0.115 0.000 1.352 395 G CA 0.096 45.261 45.100 0.109 0.000 0.879 395 G HN 0.138 nan 8.290 nan 0.000 0.567 396 D N 0.472 120.923 120.400 0.086 0.000 2.144 396 D HA 0.024 4.664 4.640 -0.001 0.000 0.199 396 D C 1.035 177.374 176.300 0.064 0.000 0.984 396 D CA 1.475 55.519 54.000 0.074 0.000 0.834 396 D CB -0.120 40.722 40.800 0.070 0.000 0.955 396 D HN 0.390 nan 8.370 nan 0.000 0.465 397 D N 0.529 120.969 120.400 0.068 0.000 2.619 397 D HA 0.174 4.814 4.640 -0.001 0.000 0.224 397 D C -0.074 176.245 176.300 0.031 0.000 1.133 397 D CA 0.034 54.062 54.000 0.047 0.000 1.017 397 D CB -0.018 40.811 40.800 0.049 0.000 1.077 397 D HN 0.022 nan 8.370 nan 0.000 0.503 398 S N -1.393 114.304 115.700 -0.005 0.000 2.625 398 S HA 0.640 5.110 4.470 -0.001 0.000 0.271 398 S C -0.867 173.658 174.600 -0.124 0.000 1.161 398 S CA -0.897 57.245 58.200 -0.097 0.000 0.820 398 S CB 1.749 64.878 63.200 -0.118 0.000 1.137 398 S HN -0.085 nan 8.310 nan 0.000 0.470 399 V N 1.668 121.458 119.914 -0.206 0.000 2.448 399 V HA 0.508 4.628 4.120 -0.001 0.000 0.295 399 V C -0.734 175.254 176.094 -0.177 0.000 1.025 399 V CA -0.650 61.578 62.300 -0.121 0.000 0.859 399 V CB 1.053 32.821 31.823 -0.093 0.000 0.988 399 V HN 0.802 nan 8.190 nan 0.000 0.431 400 L N 4.928 126.099 121.223 -0.087 0.000 2.296 400 L HA 0.597 4.936 4.340 -0.001 0.000 0.286 400 L C -0.158 176.610 176.870 -0.170 0.000 1.023 400 L CA -0.346 54.395 54.840 -0.165 0.000 0.812 400 L CB 1.296 43.362 42.059 0.011 0.000 1.223 400 L HN 0.606 nan 8.230 nan 0.000 0.421 401 Q N 3.476 123.024 119.800 -0.420 0.000 2.331 401 Q HA 0.498 4.838 4.340 -0.001 0.000 0.267 401 Q C -1.495 174.196 176.000 -0.515 0.000 1.006 401 Q CA -0.420 55.214 55.803 -0.282 0.000 0.818 401 Q CB 2.382 31.020 28.738 -0.166 0.000 1.276 401 Q HN 0.440 nan 8.270 nan 0.000 0.450 402 F N 1.155 121.079 119.950 -0.042 0.000 2.443 402 F HA 0.340 4.867 4.527 -0.000 0.000 0.369 402 F C 0.939 176.718 175.800 -0.035 0.000 1.090 402 F CA -0.645 57.326 58.000 -0.048 0.000 1.129 402 F CB 1.192 40.162 39.000 -0.050 0.000 1.367 402 F HN 0.730 nan 8.300 nan 0.000 0.465 403 G N 1.534 110.374 108.800 0.066 0.000 2.658 403 G HA2 0.037 3.996 3.960 -0.001 0.000 0.217 403 G HA3 0.037 3.996 3.960 -0.001 0.000 0.217 403 G C 1.819 176.769 174.900 0.082 0.000 1.319 403 G CA 0.596 45.730 45.100 0.057 0.000 0.885 403 G HN 0.727 nan 8.290 nan 0.000 0.553 404 G N 0.858 109.701 108.800 0.073 0.000 2.547 404 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.221 404 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.221 404 G C 1.730 176.698 174.900 0.114 0.000 1.140 404 G CA 1.569 46.733 45.100 0.107 0.000 0.760 404 G HN 0.786 nan 8.290 nan 0.000 0.583 405 G N -1.026 107.789 108.800 0.024 0.000 2.625 405 G HA2 0.127 4.086 3.960 -0.001 0.000 0.214 405 G HA3 0.127 4.086 3.960 -0.001 0.000 0.214 405 G C 1.518 176.489 174.900 0.118 0.000 1.132 405 G CA 1.686 46.721 45.100 -0.109 0.000 0.782 405 G HN 0.461 nan 8.290 nan 0.000 0.538 406 T N 0.095 114.758 114.554 0.181 0.000 3.085 406 T HA 0.115 4.465 4.350 -0.001 0.000 0.241 406 T C 1.875 176.686 174.700 0.186 0.000 0.988 406 T CA -0.087 62.111 62.100 0.163 0.000 1.117 406 T CB 0.031 68.953 68.868 0.091 0.000 0.978 406 T HN 0.064 nan 8.240 nan 0.000 0.454 407 L N 1.511 122.828 121.223 0.158 0.000 2.599 407 L HA 0.342 4.682 4.340 -0.001 0.000 0.230 407 L C 2.143 179.129 176.870 0.193 0.000 1.141 407 L CA 0.603 55.524 54.840 0.136 0.000 0.877 407 L CB -0.155 41.951 42.059 0.077 0.000 1.009 407 L HN 0.355 nan 8.230 nan 0.000 0.447 408 G N -2.858 106.128 108.800 0.309 0.000 3.233 408 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.234 408 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.234 408 G C 0.429 175.530 174.900 0.334 0.000 1.137 408 G CA -0.264 45.059 45.100 0.371 0.000 0.763 408 G HN 0.250 nan 8.290 nan 0.000 0.549 409 H N 1.905 121.101 119.070 0.210 0.000 2.764 409 H HA 0.137 4.692 4.556 -0.001 0.000 0.341 409 H C -1.129 174.160 175.328 -0.064 0.000 1.072 409 H CA -1.459 54.581 56.048 -0.014 0.000 1.444 409 H CB 2.143 31.919 29.762 0.024 0.000 1.458 409 H HN -0.018 nan 8.280 nan 0.000 0.572 410 P HA -0.155 nan 4.420 nan 0.000 0.218 410 P C 0.711 178.236 177.300 0.375 0.000 1.146 410 P CA 1.202 64.290 63.100 -0.020 0.000 0.813 410 P CB 0.065 31.639 31.700 -0.211 0.000 0.778 411 W N 0.171 121.685 121.300 0.357 0.000 3.316 411 W HA 0.517 5.176 4.660 -0.000 0.000 0.327 411 W C 1.094 177.658 176.519 0.074 0.000 1.232 411 W CA 0.392 57.844 57.345 0.179 0.000 1.805 411 W CB -0.758 28.799 29.460 0.162 0.000 1.090 411 W HN 0.062 nan 8.180 nan 0.000 0.654 412 G N 0.922 109.887 108.800 0.274 0.000 2.566 412 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.599 412 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.599 412 G C 0.609 175.525 174.900 0.027 0.000 1.292 412 G CA -0.215 44.958 45.100 0.122 0.000 0.922 412 G HN -0.026 nan 8.290 nan 0.000 0.514 413 N N -0.026 118.674 118.700 -0.000 0.000 2.142 413 N HA 0.032 4.772 4.740 -0.001 0.000 0.186 413 N C 2.751 178.202 175.510 -0.098 0.000 1.023 413 N CA 2.555 55.582 53.050 -0.039 0.000 0.852 413 N CB -0.649 37.813 38.487 -0.041 0.000 0.998 413 N HN 1.089 nan 8.380 nan 0.000 0.424 414 A N 1.409 124.164 122.820 -0.108 0.000 1.858 414 A HA -0.055 4.264 4.320 -0.001 0.000 0.216 414 A C -0.182 177.314 177.584 -0.147 0.000 1.190 414 A CA 1.448 53.408 52.037 -0.129 0.000 0.617 414 A CB -1.531 17.394 19.000 -0.124 0.000 0.827 414 A HN 0.220 nan 8.150 nan 0.000 0.443 415 P HA -0.040 nan 4.420 nan 0.000 0.219 415 P C 1.714 178.630 177.300 -0.640 0.000 1.150 415 P CA 1.558 64.476 63.100 -0.303 0.000 0.814 415 P CB -0.309 31.302 31.700 -0.149 0.000 0.787 416 G N 0.328 108.734 108.800 -0.656 0.000 2.440 416 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.218 416 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.218 416 G C 1.636 176.436 174.900 -0.168 0.000 1.154 416 G CA 0.989 45.879 45.100 -0.351 0.000 0.767 416 G HN 0.303 nan 8.290 nan 0.000 0.552 417 A N 0.078 122.808 122.820 -0.150 0.000 1.898 417 A HA 0.106 4.426 4.320 -0.001 0.000 0.216 417 A C 2.614 180.123 177.584 -0.125 0.000 1.181 417 A CA 1.750 53.718 52.037 -0.115 0.000 0.620 417 A CB -0.672 18.270 19.000 -0.096 0.000 0.819 417 A HN 0.251 nan 8.150 nan 0.000 0.442 418 V N 0.091 119.927 119.914 -0.130 0.000 2.282 418 V HA -0.322 3.798 4.120 -0.001 0.000 0.249 418 V C 3.080 179.102 176.094 -0.121 0.000 1.057 418 V CA 2.134 64.374 62.300 -0.100 0.000 1.032 418 V CB -1.388 30.390 31.823 -0.074 0.000 0.645 418 V HN 0.638 nan 8.190 nan 0.000 0.447 419 A N 0.394 123.121 122.820 -0.155 0.000 1.873 419 A HA -0.347 3.973 4.320 -0.001 0.000 0.218 419 A C 2.030 179.496 177.584 -0.198 0.000 1.193 419 A CA 2.702 54.641 52.037 -0.164 0.000 0.629 419 A CB -1.048 17.901 19.000 -0.084 0.000 0.826 419 A HN 0.700 nan 8.150 nan 0.000 0.447 420 N N -1.329 117.231 118.700 -0.233 0.000 2.166 420 N HA -0.185 4.555 4.740 -0.001 0.000 0.186 420 N C 1.968 177.343 175.510 -0.225 0.000 1.019 420 N CA 1.470 54.306 53.050 -0.357 0.000 0.856 420 N CB -0.138 38.041 38.487 -0.513 0.000 0.993 420 N HN 0.463 nan 8.380 nan 0.000 0.426 421 R N 0.997 121.413 120.500 -0.141 0.000 2.075 421 R HA 0.027 4.367 4.340 -0.001 0.000 0.232 421 R C 1.729 178.005 176.300 -0.040 0.000 1.126 421 R CA 0.953 57.010 56.100 -0.073 0.000 0.963 421 R CB -0.684 29.586 30.300 -0.051 0.000 0.858 421 R HN 0.010 nan 8.270 nan 0.000 0.435 422 V N 0.952 120.838 119.914 -0.046 0.000 2.343 422 V HA -0.204 3.916 4.120 -0.001 0.000 0.247 422 V C 2.346 178.412 176.094 -0.046 0.000 1.051 422 V CA 1.930 64.227 62.300 -0.006 0.000 1.036 422 V CB -0.938 30.830 31.823 -0.093 0.000 0.654 422 V HN 0.539 nan 8.190 nan 0.000 0.451 423 A N -0.257 122.485 122.820 -0.129 0.000 1.908 423 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 423 A C 2.171 179.724 177.584 -0.051 0.000 1.181 423 A CA 2.253 54.212 52.037 -0.130 0.000 0.627 423 A CB -0.564 18.317 19.000 -0.199 0.000 0.818 423 A HN 0.467 nan 8.150 nan 0.000 0.445 424 L N -0.033 121.165 121.223 -0.041 0.000 2.027 424 L HA -0.108 4.232 4.340 -0.001 0.000 0.206 424 L C 2.231 179.121 176.870 0.033 0.000 1.074 424 L CA 2.353 57.198 54.840 0.009 0.000 0.745 424 L CB -0.646 41.422 42.059 0.014 0.000 0.898 424 L HN 0.502 nan 8.230 nan 0.000 0.433 425 E N -0.216 120.007 120.200 0.039 0.000 2.118 425 E HA -0.246 4.104 4.350 -0.001 0.000 0.195 425 E C 2.147 178.796 176.600 0.082 0.000 0.992 425 E CA 1.136 57.573 56.400 0.061 0.000 0.804 425 E CB -0.337 29.407 29.700 0.073 0.000 0.741 425 E HN 0.668 nan 8.360 nan 0.000 0.458 426 A N 0.947 123.827 122.820 0.101 0.000 1.908 426 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 426 A C 2.458 180.088 177.584 0.077 0.000 1.181 426 A CA 1.382 53.488 52.037 0.115 0.000 0.627 426 A CB -0.878 18.183 19.000 0.103 0.000 0.818 426 A HN 0.360 nan 8.150 nan 0.000 0.445 427 C N -1.523 117.812 119.300 0.057 0.000 2.446 427 C HA -0.022 4.438 4.460 -0.001 0.000 0.277 427 C C 2.745 177.770 174.990 0.059 0.000 1.275 427 C CA 0.906 59.959 59.018 0.058 0.000 1.727 427 C CB -1.200 26.576 27.740 0.060 0.000 2.010 427 C HN 0.459 nan 8.230 nan 0.000 0.486 428 V N 0.565 120.513 119.914 0.057 0.000 2.295 428 V HA -0.281 3.839 4.120 -0.001 0.000 0.246 428 V C 2.531 178.655 176.094 0.049 0.000 1.049 428 V CA 2.223 64.555 62.300 0.053 0.000 1.024 428 V CB -0.868 30.986 31.823 0.051 0.000 0.648 428 V HN 0.621 nan 8.190 nan 0.000 0.447 429 Q N -0.147 119.684 119.800 0.051 0.000 2.061 429 Q HA -0.240 4.099 4.340 -0.001 0.000 0.204 429 Q C 2.246 178.272 176.000 0.043 0.000 0.984 429 Q CA 2.207 58.036 55.803 0.044 0.000 0.846 429 Q CB -0.303 28.462 28.738 0.046 0.000 0.902 429 Q HN 0.631 nan 8.270 nan 0.000 0.421 430 A N 1.275 124.127 122.820 0.052 0.000 1.902 430 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 430 A C 2.129 179.738 177.584 0.043 0.000 1.181 430 A CA 1.562 53.629 52.037 0.049 0.000 0.623 430 A CB -0.737 18.297 19.000 0.057 0.000 0.818 430 A HN 0.467 nan 8.150 nan 0.000 0.443 431 R N 0.137 120.663 120.500 0.044 0.000 2.083 431 R HA -0.154 4.185 4.340 -0.001 0.000 0.237 431 R C 1.792 178.113 176.300 0.034 0.000 1.137 431 R CA 1.951 58.075 56.100 0.040 0.000 0.951 431 R CB -0.532 29.795 30.300 0.044 0.000 0.851 431 R HN 0.726 nan 8.270 nan 0.000 0.434 432 N N 0.019 118.739 118.700 0.034 0.000 2.309 432 N HA -0.119 4.620 4.740 -0.001 0.000 0.182 432 N C 0.911 176.435 175.510 0.024 0.000 1.018 432 N CA 0.869 53.936 53.050 0.029 0.000 0.876 432 N CB 0.067 38.571 38.487 0.028 0.000 0.972 432 N HN 0.421 nan 8.380 nan 0.000 0.434 433 E N -0.169 120.046 120.200 0.025 0.000 2.511 433 E HA 0.027 4.377 4.350 -0.001 0.000 0.196 433 E C 0.984 177.597 176.600 0.022 0.000 1.066 433 E CA 0.132 56.546 56.400 0.022 0.000 0.871 433 E CB 0.260 29.974 29.700 0.023 0.000 0.863 433 E HN 0.466 nan 8.360 nan 0.000 0.520 434 G N 1.824 110.639 108.800 0.024 0.000 2.195 434 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.224 434 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.224 434 G C 0.269 175.184 174.900 0.025 0.000 0.990 434 G CA -0.296 44.818 45.100 0.023 0.000 0.639 434 G HN 0.149 nan 8.290 nan 0.000 0.514 435 R N 0.683 121.201 120.500 0.030 0.000 2.679 435 R HA 0.417 4.757 4.340 -0.001 0.000 0.269 435 R C -0.546 175.774 176.300 0.033 0.000 1.076 435 R CA -0.098 56.022 56.100 0.033 0.000 1.160 435 R CB 0.520 30.843 30.300 0.039 0.000 1.054 435 R HN 0.190 nan 8.270 nan 0.000 0.507 436 D N 2.252 122.672 120.400 0.033 0.000 2.317 436 D HA 0.075 4.714 4.640 -0.001 0.000 0.234 436 D C 0.776 177.100 176.300 0.039 0.000 1.112 436 D CA -0.181 53.839 54.000 0.032 0.000 0.840 436 D CB 1.120 41.936 40.800 0.027 0.000 1.078 436 D HN 0.411 nan 8.370 nan 0.000 0.486 437 L N 3.214 124.462 121.223 0.042 0.000 2.179 437 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 437 L C 2.427 179.329 176.870 0.054 0.000 1.096 437 L CA 0.830 55.701 54.840 0.052 0.000 0.779 437 L CB -0.215 41.877 42.059 0.055 0.000 0.922 437 L HN 0.463 nan 8.230 nan 0.000 0.443 438 A N 0.389 123.234 122.820 0.042 0.000 1.902 438 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 438 A C 2.381 179.989 177.584 0.040 0.000 1.181 438 A CA 1.548 53.609 52.037 0.039 0.000 0.623 438 A CB -0.327 18.688 19.000 0.025 0.000 0.818 438 A HN 0.343 nan 8.150 nan 0.000 0.443 439 R N -0.940 119.582 120.500 0.037 0.000 2.156 439 R HA 0.075 4.415 4.340 -0.001 0.000 0.207 439 R C 1.056 177.382 176.300 0.043 0.000 1.040 439 R CA 1.067 57.188 56.100 0.034 0.000 1.013 439 R CB 0.032 30.349 30.300 0.027 0.000 0.931 439 R HN 0.579 nan 8.270 nan 0.000 0.465 440 E N -0.102 120.128 120.200 0.050 0.000 2.501 440 E HA 0.104 4.453 4.350 -0.001 0.000 0.201 440 E C 1.424 178.069 176.600 0.076 0.000 1.016 440 E CA -0.057 56.378 56.400 0.057 0.000 0.920 440 E CB 0.869 30.599 29.700 0.051 0.000 1.023 440 E HN 0.346 nan 8.360 nan 0.000 0.474 441 G N 2.378 111.229 108.800 0.085 0.000 2.553 441 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.218 441 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.218 441 G C 1.318 176.313 174.900 0.157 0.000 1.195 441 G CA 1.287 46.455 45.100 0.112 0.000 0.779 441 G HN 0.253 nan 8.290 nan 0.000 0.577 442 N N -0.305 118.506 118.700 0.184 0.000 2.223 442 N HA -0.069 4.670 4.740 -0.001 0.000 0.185 442 N C 2.188 177.841 175.510 0.239 0.000 1.016 442 N CA 1.406 54.631 53.050 0.293 0.000 0.863 442 N CB -0.124 38.472 38.487 0.181 0.000 0.983 442 N HN 0.269 nan 8.380 nan 0.000 0.429 443 T N 0.840 115.478 114.554 0.140 0.000 2.904 443 T HA 0.035 4.384 4.350 -0.001 0.000 0.267 443 T C 1.914 176.668 174.700 0.090 0.000 1.059 443 T CA 0.580 62.744 62.100 0.106 0.000 1.137 443 T CB -0.052 68.862 68.868 0.076 0.000 0.879 443 T HN 0.176 nan 8.240 nan 0.000 0.467 444 I N 0.852 121.474 120.570 0.087 0.000 2.202 444 I HA -0.131 4.038 4.170 -0.001 0.000 0.242 444 I C 2.176 178.311 176.117 0.030 0.000 1.091 444 I CA 0.918 62.258 61.300 0.067 0.000 1.368 444 I CB -0.298 37.742 38.000 0.067 0.000 1.058 444 I HN 0.157 nan 8.210 nan 0.000 0.410 445 I N 0.593 121.169 120.570 0.009 0.000 2.163 445 I HA -0.283 3.887 4.170 -0.001 0.000 0.243 445 I C 2.671 178.695 176.117 -0.155 0.000 1.085 445 I CA 1.522 62.740 61.300 -0.136 0.000 1.347 445 I CB -1.313 36.528 38.000 -0.265 0.000 1.044 445 I HN 0.241 nan 8.210 nan 0.000 0.408 446 R N 1.421 121.919 120.500 -0.003 0.000 2.091 446 R HA -0.183 4.156 4.340 -0.001 0.000 0.238 446 R C 2.152 178.439 176.300 -0.021 0.000 1.136 446 R CA 1.602 57.719 56.100 0.028 0.000 0.959 446 R CB -0.341 30.038 30.300 0.133 0.000 0.856 446 R HN 0.407 nan 8.270 nan 0.000 0.437 447 E N -0.685 119.523 120.200 0.013 0.000 2.118 447 E HA -0.192 4.158 4.350 -0.001 0.000 0.195 447 E C 1.840 178.430 176.600 -0.018 0.000 0.992 447 E CA 1.349 57.775 56.400 0.045 0.000 0.804 447 E CB -0.182 29.578 29.700 0.101 0.000 0.741 447 E HN 0.506 nan 8.360 nan 0.000 0.458 448 A N 1.020 123.759 122.820 -0.135 0.000 2.014 448 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 448 A C 2.373 179.453 177.584 -0.840 0.000 1.163 448 A CA 1.684 53.425 52.037 -0.493 0.000 0.652 448 A CB -0.881 17.902 19.000 -0.362 0.000 0.808 448 A HN 0.395 nan 8.150 nan 0.000 0.449 449 T N -2.004 112.274 114.554 -0.459 0.000 2.929 449 T HA -0.113 4.237 4.350 -0.001 0.000 0.271 449 T C 1.579 176.104 174.700 -0.293 0.000 1.085 449 T CA 1.381 63.252 62.100 -0.382 0.000 1.125 449 T CB -0.246 68.479 68.868 -0.239 0.000 0.874 449 T HN 0.340 nan 8.240 nan 0.000 0.494 450 K N 0.815 121.083 120.400 -0.219 0.000 2.217 450 K HA 0.023 4.343 4.320 -0.001 0.000 0.202 450 K C 1.968 178.586 176.600 0.031 0.000 1.051 450 K CA 1.096 57.355 56.287 -0.048 0.000 0.952 450 K CB -0.265 32.271 32.500 0.061 0.000 0.736 450 K HN 0.863 nan 8.250 nan 0.000 0.453 451 W N -0.502 120.798 121.300 0.000 0.000 2.871 451 W HA 0.354 5.014 4.660 -0.001 0.000 0.340 451 W C 0.040 176.564 176.519 0.007 0.000 1.058 451 W CA -0.459 56.890 57.345 0.006 0.000 1.633 451 W CB 0.032 29.493 29.460 0.003 0.000 1.067 451 W HN -0.171 nan 8.180 nan 0.000 0.554 452 S N 2.986 118.395 115.700 -0.485 0.000 2.577 452 S HA 0.381 4.850 4.470 -0.001 0.000 0.294 452 S C -1.476 172.988 174.600 -0.227 0.000 1.161 452 S CA -1.325 56.644 58.200 -0.384 0.000 1.143 452 S CB 1.150 63.857 63.200 -0.822 0.000 0.991 452 S HN -0.302 nan 8.310 nan 0.000 0.475 453 P HA -0.116 nan 4.420 nan 0.000 0.216 453 P C 0.942 178.175 177.300 -0.112 0.000 1.150 453 P CA 1.187 64.315 63.100 0.048 0.000 0.843 453 P CB 0.217 32.077 31.700 0.267 0.000 0.787 454 E N -0.694 119.449 120.200 -0.096 0.000 2.051 454 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 454 E C 1.884 178.327 176.600 -0.262 0.000 0.991 454 E CA 0.816 57.068 56.400 -0.247 0.000 0.799 454 E CB -1.289 28.352 29.700 -0.098 0.000 0.748 454 E HN 0.136 nan 8.360 nan 0.000 0.449 455 L N 0.408 121.468 121.223 -0.271 0.000 2.056 455 L HA -0.010 4.329 4.340 -0.001 0.000 0.207 455 L C 2.041 178.708 176.870 -0.338 0.000 1.078 455 L CA 1.896 56.552 54.840 -0.307 0.000 0.749 455 L CB -0.837 40.990 42.059 -0.386 0.000 0.901 455 L HN 0.110 nan 8.230 nan 0.000 0.433 456 A N -0.226 122.403 122.820 -0.319 0.000 1.917 456 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 456 A C 2.461 179.860 177.584 -0.309 0.000 1.182 456 A CA 2.116 53.994 52.037 -0.264 0.000 0.633 456 A CB -1.243 17.648 19.000 -0.180 0.000 0.819 456 A HN 0.591 nan 8.150 nan 0.000 0.448 457 A N -0.430 122.108 122.820 -0.469 0.000 1.930 457 A HA 0.211 4.531 4.320 -0.001 0.000 0.217 457 A C 2.491 179.651 177.584 -0.706 0.000 1.175 457 A CA 1.957 53.600 52.037 -0.657 0.000 0.627 457 A CB -0.939 17.320 19.000 -1.235 0.000 0.815 457 A HN 1.064 nan 8.150 nan 0.000 0.443 458 A N -0.896 121.552 122.820 -0.620 0.000 1.902 458 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 458 A C 2.307 179.748 177.584 -0.238 0.000 1.181 458 A CA 1.656 53.428 52.037 -0.442 0.000 0.623 458 A CB -1.293 17.675 19.000 -0.054 0.000 0.818 458 A HN 0.584 nan 8.150 nan 0.000 0.443 459 C N -0.492 118.661 119.300 -0.244 0.000 2.413 459 C HA -0.116 4.343 4.460 -0.001 0.000 0.276 459 C C 2.662 177.752 174.990 0.167 0.000 1.236 459 C CA 1.216 60.177 59.018 -0.095 0.000 1.735 459 C CB -1.363 26.211 27.740 -0.278 0.000 2.031 459 C HN 0.692 nan 8.230 nan 0.000 0.474 460 E N 0.255 120.430 120.200 -0.042 0.000 2.058 460 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 460 E C 2.129 178.637 176.600 -0.153 0.000 0.997 460 E CA 1.518 57.877 56.400 -0.069 0.000 0.801 460 E CB -0.266 29.352 29.700 -0.137 0.000 0.746 460 E HN 0.489 nan 8.360 nan 0.000 0.450 461 V N 0.206 119.900 119.914 -0.366 0.000 2.343 461 V HA -0.198 3.922 4.120 -0.001 0.000 0.247 461 V C 1.350 177.166 176.094 -0.464 0.000 1.051 461 V CA 1.326 63.275 62.300 -0.585 0.000 1.036 461 V CB -0.274 30.873 31.823 -1.125 0.000 0.654 461 V HN 0.444 nan 8.190 nan 0.000 0.451 462 W N 0.642 121.881 121.300 -0.101 0.000 2.991 462 W HA 0.257 4.916 4.660 -0.000 0.000 0.391 462 W C 1.902 178.350 176.519 -0.120 0.000 1.054 462 W CA -0.336 56.878 57.345 -0.218 0.000 1.856 462 W CB -0.251 28.885 29.460 -0.540 0.000 1.132 462 W HN 0.430 nan 8.180 nan 0.000 0.601 463 K N 0.476 120.985 120.400 0.182 0.000 2.173 463 K HA -0.203 4.117 4.320 -0.001 0.000 0.207 463 K C 0.764 177.223 176.600 -0.236 0.000 1.046 463 K CA 1.482 57.697 56.287 -0.119 0.000 0.929 463 K CB -0.095 32.344 32.500 -0.102 0.000 0.720 463 K HN -0.055 nan 8.250 nan 0.000 0.453 464 E N 0.605 120.735 120.200 -0.116 0.000 2.474 464 E HA 0.117 4.467 4.350 -0.001 0.000 0.195 464 E C 0.185 176.732 176.600 -0.089 0.000 1.039 464 E CA 0.032 56.360 56.400 -0.121 0.000 0.881 464 E CB 0.308 29.953 29.700 -0.093 0.000 0.970 464 E HN 0.290 nan 8.360 nan 0.000 0.486 465 I N 1.823 122.374 120.570 -0.032 0.000 2.325 465 I HA 0.236 4.405 4.170 -0.001 0.000 0.291 465 I C 0.332 176.468 176.117 0.031 0.000 1.019 465 I CA -0.166 61.124 61.300 -0.017 0.000 1.302 465 I CB 0.484 38.520 38.000 0.060 0.000 1.401 465 I HN -0.276 nan 8.210 nan 0.000 0.485 466 K N 5.560 125.842 120.400 -0.197 0.000 2.508 466 K HA 0.579 4.898 4.320 -0.001 0.000 0.260 466 K C -1.591 174.791 176.600 -0.363 0.000 0.949 466 K CA -0.593 55.629 56.287 -0.108 0.000 0.834 466 K CB 2.674 35.143 32.500 -0.051 0.000 1.365 466 K HN 0.165 nan 8.250 nan 0.000 0.437 467 F N 1.581 121.636 119.950 0.175 0.000 2.430 467 F HA 0.325 4.852 4.527 -0.001 0.000 0.362 467 F C -0.372 175.513 175.800 0.142 0.000 1.103 467 F CA -0.554 57.562 58.000 0.194 0.000 1.045 467 F CB 1.539 40.678 39.000 0.231 0.000 1.276 467 F HN 0.289 nan 8.300 nan 0.000 0.444 468 E N 3.736 123.973 120.200 0.063 0.000 2.279 468 E HA 0.559 4.909 4.350 -0.001 0.000 0.252 468 E C -1.362 175.083 176.600 -0.259 0.000 0.894 468 E CA -0.440 55.949 56.400 -0.020 0.000 0.785 468 E CB 1.722 31.384 29.700 -0.064 0.000 1.237 468 E HN 0.345 nan 8.360 nan 0.000 0.418 469 F N 1.451 121.449 119.950 0.079 0.000 2.626 469 F HA 0.441 4.967 4.527 -0.001 0.000 0.311 469 F C -1.968 173.862 175.800 0.051 0.000 1.088 469 F CA -2.070 55.968 58.000 0.063 0.000 0.949 469 F CB 1.016 40.058 39.000 0.071 0.000 1.322 469 F HN 0.258 nan 8.300 nan 0.000 0.461 470 P HA 0.376 nan 4.420 nan 0.000 0.271 470 P C -0.948 176.436 177.300 0.140 0.000 1.220 470 P CA -0.314 62.876 63.100 0.150 0.000 0.768 470 P CB 0.544 32.315 31.700 0.118 0.000 0.848 471 A N 3.362 126.247 122.820 0.107 0.000 2.371 471 A HA 0.347 4.667 4.320 -0.001 0.000 0.257 471 A C 1.139 178.767 177.584 0.075 0.000 1.089 471 A CA -0.368 51.724 52.037 0.091 0.000 0.794 471 A CB 0.222 19.275 19.000 0.088 0.000 1.029 471 A HN 0.496 nan 8.150 nan 0.000 0.488 472 M N 0.310 119.948 119.600 0.063 0.000 2.501 472 M HA 0.095 4.575 4.480 -0.001 0.000 0.261 472 M C -0.019 176.326 176.300 0.074 0.000 1.129 472 M CA 0.762 56.096 55.300 0.056 0.000 1.126 472 M CB -0.934 31.687 32.600 0.035 0.000 1.359 472 M HN 0.775 nan 8.290 nan 0.000 0.471 473 D N 2.137 122.591 120.400 0.091 0.000 2.462 473 D HA 0.271 4.910 4.640 -0.001 0.000 0.249 473 D C -0.644 175.743 176.300 0.145 0.000 1.117 473 D CA 0.023 54.102 54.000 0.131 0.000 0.900 473 D CB 0.889 41.778 40.800 0.148 0.000 1.039 473 D HN 0.140 nan 8.370 nan 0.000 0.516 474 T N -0.702 113.926 114.554 0.125 0.000 2.932 474 T HA 0.577 4.927 4.350 -0.001 0.000 0.289 474 T C 0.561 175.323 174.700 0.103 0.000 1.039 474 T CA -0.825 61.337 62.100 0.104 0.000 1.024 474 T CB 1.158 70.071 68.868 0.074 0.000 1.090 474 T HN 0.017 nan 8.240 nan 0.000 0.496 475 V N 0.000 119.961 119.914 0.078 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 475 V CA 0.000 62.336 62.300 0.059 0.000 1.235 475 V CB 0.000 31.836 31.823 0.022 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556