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 3aek_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKLTLWTYEG PPHVGAMRVA TAMKDLQLVL HGPQGDTYAD LLFTMIERRN DATA SEQUENCE ARPPVSFSTF EASHMGTDTA ILLKDALAAA HARYKPQAMA VALTCTAELL DATA SEQUENCE QDDPNGISRA LNLPVPVVPL ELPSYSRKEN YGADETFRAL VRALAVPMER DATA SEQUENCE TPEVTCNLLG ATALGFRHRD DVAEVTKLLA TMGIKVNVCA PLGASPDDLR DATA SEQUENCE KLGQAHFNVL MYPETGESAA RHLERACKQP FTKIVPIGVG ATRDFLAEVS DATA SEQUENCE KITGLPVVTD ESTLRQPWWS ASVDSTYLTG KRVFIFGDGT HVIAAARIAA DATA SEQUENCE KEVGFEVVGM GCYNREMARP LRTAAAEYGL EALITDDYLE VEKAIEAAAP DATA SEQUENCE ELILGTQMER NIAKKLGLPC AVISAPVHVQ DFPARYAPQM GFEGANVLFD DATA SEQUENCE TWVHPLVMGL EEHLLTMF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.045 0.000 1.140 1 M CA 0.000 55.327 55.300 0.044 0.000 0.988 1 M CB 0.000 32.622 32.600 0.036 0.000 1.302 2 K N 2.823 123.255 120.400 0.052 0.000 2.559 2 K HA 0.493 4.813 4.320 0.000 0.000 0.249 2 K C -1.249 175.382 176.600 0.051 0.000 0.958 2 K CA -0.567 55.752 56.287 0.052 0.000 0.901 2 K CB 1.533 34.069 32.500 0.061 0.000 1.124 2 K HN 0.782 nan 8.250 nan 0.000 0.437 3 L N 4.224 125.475 121.223 0.047 0.000 2.562 3 L HA 0.092 4.433 4.340 0.000 0.000 0.271 3 L C -0.885 176.025 176.870 0.066 0.000 1.167 3 L CA 1.096 55.965 54.840 0.048 0.000 0.917 3 L CB 0.476 42.560 42.059 0.041 0.000 1.187 3 L HN 0.706 nan 8.230 nan 0.000 0.482 4 T N 6.059 120.650 114.554 0.063 0.000 2.881 4 T HA 0.244 4.594 4.350 0.000 0.000 0.291 4 T C 0.429 175.170 174.700 0.068 0.000 0.990 4 T CA -0.472 61.674 62.100 0.077 0.000 0.976 4 T CB 2.299 71.192 68.868 0.041 0.000 0.970 4 T HN 0.517 nan 8.240 nan 0.000 0.438 5 L N 2.515 123.813 121.223 0.125 0.000 2.356 5 L HA 0.553 4.893 4.340 0.000 0.000 0.193 5 L C 0.168 177.061 176.870 0.038 0.000 1.087 5 L CA 0.458 55.346 54.840 0.080 0.000 0.817 5 L CB 0.161 42.291 42.059 0.119 0.000 1.035 5 L HN 0.685 nan 8.230 nan 0.000 0.482 6 W N 0.769 121.949 121.300 -0.200 0.000 2.551 6 W HA 0.495 5.155 4.660 0.000 0.000 0.330 6 W C -1.159 175.233 176.519 -0.211 0.000 1.063 6 W CA -0.533 56.604 57.345 -0.346 0.000 1.222 6 W CB 1.408 30.425 29.460 -0.740 0.000 1.349 6 W HN 0.007 nan 8.180 nan 0.000 0.536 7 T N 4.674 118.648 114.554 -0.966 0.000 2.848 7 T HA 0.283 4.633 4.350 0.000 0.000 0.285 7 T C 0.209 174.194 174.700 -1.192 0.000 0.995 7 T CA -0.264 61.393 62.100 -0.740 0.000 0.970 7 T CB 0.877 69.505 68.868 -0.401 0.000 0.976 7 T HN 0.401 nan 8.240 nan 0.000 0.441 8 Y N 2.511 122.432 120.300 -0.632 0.000 2.220 8 Y HA 0.184 4.734 4.550 0.000 0.000 0.291 8 Y C 1.443 176.980 175.900 -0.606 0.000 1.129 8 Y CA 0.687 58.405 58.100 -0.635 0.000 1.161 8 Y CB 0.394 38.396 38.460 -0.763 0.000 0.997 8 Y HN 0.574 nan 8.280 nan 0.000 0.522 9 E N -0.754 119.296 120.200 -0.251 0.000 2.207 9 E HA 0.410 4.760 4.350 0.000 0.000 0.270 9 E C 0.078 176.578 176.600 -0.166 0.000 0.927 9 E CA -0.567 55.743 56.400 -0.149 0.000 0.799 9 E CB 1.684 31.387 29.700 0.005 0.000 1.172 9 E HN 0.203 nan 8.360 nan 0.000 0.404 10 G N 1.894 110.607 108.800 -0.145 0.000 2.516 10 G HA2 0.286 4.246 3.960 0.000 0.000 0.276 10 G HA3 0.286 4.246 3.960 0.000 0.000 0.276 10 G C -2.247 172.584 174.900 -0.115 0.000 1.390 10 G CA -0.836 44.181 45.100 -0.137 0.000 1.050 10 G HN 0.318 nan 8.290 nan 0.000 0.519 11 P HA 0.201 nan 4.420 nan 0.000 0.274 11 P C -2.179 175.025 177.300 -0.159 0.000 1.246 11 P CA -1.247 61.754 63.100 -0.164 0.000 0.795 11 P CB 1.168 32.732 31.700 -0.227 0.000 1.006 12 P HA -0.186 nan 4.420 nan 0.000 0.218 12 P C 1.566 178.877 177.300 0.018 0.000 1.148 12 P CA 1.645 64.769 63.100 0.040 0.000 0.822 12 P CB -0.727 31.056 31.700 0.139 0.000 0.784 13 H N -1.496 117.603 119.070 0.048 0.000 2.521 13 H HA 0.023 4.579 4.556 0.000 0.000 0.286 13 H C 1.404 176.755 175.328 0.039 0.000 1.034 13 H CA 0.712 56.781 56.048 0.035 0.000 1.278 13 H CB -0.943 28.846 29.762 0.045 0.000 1.386 13 H HN -0.021 nan 8.280 nan 0.000 0.567 14 V N 1.453 121.217 119.914 -0.250 0.000 2.453 14 V HA -0.100 4.020 4.120 0.000 0.000 0.247 14 V C 3.000 179.118 176.094 0.040 0.000 1.048 14 V CA 1.489 63.742 62.300 -0.079 0.000 1.049 14 V CB -0.775 30.949 31.823 -0.166 0.000 0.672 14 V HN 0.660 nan 8.190 nan 0.000 0.457 15 G N -0.084 108.720 108.800 0.008 0.000 2.440 15 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 15 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 15 G C 1.785 176.707 174.900 0.036 0.000 1.154 15 G CA 1.085 46.207 45.100 0.037 0.000 0.767 15 G HN 0.585 nan 8.290 nan 0.000 0.552 16 A N 0.909 123.745 122.820 0.028 0.000 1.908 16 A HA -0.050 4.270 4.320 0.000 0.000 0.218 16 A C 2.469 180.043 177.584 -0.017 0.000 1.181 16 A CA 1.961 54.003 52.037 0.010 0.000 0.627 16 A CB -0.400 18.610 19.000 0.017 0.000 0.818 16 A HN 0.402 nan 8.150 nan 0.000 0.445 17 M N -1.259 118.341 119.600 0.000 0.000 2.213 17 M HA -0.134 4.346 4.480 0.000 0.000 0.263 17 M C 2.276 178.495 176.300 -0.135 0.000 1.062 17 M CA 1.212 56.458 55.300 -0.090 0.000 1.105 17 M CB -0.407 32.201 32.600 0.013 0.000 1.385 17 M HN 0.333 nan 8.290 nan 0.000 0.417 18 R N -0.012 120.541 120.500 0.088 0.000 2.092 18 R HA -0.059 4.281 4.340 0.000 0.000 0.231 18 R C 2.170 178.475 176.300 0.008 0.000 1.119 18 R CA 1.163 57.351 56.100 0.147 0.000 0.970 18 R CB -0.376 30.021 30.300 0.162 0.000 0.864 18 R HN 0.285 nan 8.270 nan 0.000 0.440 19 V N 0.636 120.536 119.914 -0.023 0.000 2.323 19 V HA -0.144 3.976 4.120 0.000 0.000 0.244 19 V C 2.454 178.501 176.094 -0.078 0.000 1.041 19 V CA 1.811 64.081 62.300 -0.050 0.000 1.025 19 V CB -0.632 31.188 31.823 -0.004 0.000 0.656 19 V HN 0.320 nan 8.190 nan 0.000 0.451 20 A N -0.039 122.718 122.820 -0.106 0.000 1.930 20 A HA -0.192 4.128 4.320 0.000 0.000 0.217 20 A C 2.348 179.823 177.584 -0.183 0.000 1.175 20 A CA 2.400 54.356 52.037 -0.135 0.000 0.627 20 A CB -0.863 18.041 19.000 -0.161 0.000 0.815 20 A HN 0.500 nan 8.150 nan 0.000 0.443 21 T N -0.035 114.358 114.554 -0.267 0.000 2.985 21 T HA 0.166 4.516 4.350 0.000 0.000 0.266 21 T C 2.089 176.690 174.700 -0.164 0.000 1.076 21 T CA 0.994 62.903 62.100 -0.320 0.000 1.135 21 T CB -0.201 68.255 68.868 -0.687 0.000 0.890 21 T HN 0.551 nan 8.240 nan 0.000 0.480 22 A N 1.186 123.943 122.820 -0.106 0.000 1.969 22 A HA 0.195 4.515 4.320 0.000 0.000 0.218 22 A C 1.299 178.849 177.584 -0.057 0.000 1.169 22 A CA 0.778 52.784 52.037 -0.052 0.000 0.635 22 A CB -0.403 18.567 19.000 -0.049 0.000 0.810 22 A HN 0.414 nan 8.150 nan 0.000 0.445 23 M N 0.164 119.721 119.600 -0.072 0.000 2.283 23 M HA 0.288 4.768 4.480 0.000 0.000 0.314 23 M C -0.039 176.227 176.300 -0.057 0.000 1.153 23 M CA -0.210 55.058 55.300 -0.052 0.000 1.084 23 M CB 1.072 33.647 32.600 -0.041 0.000 1.468 23 M HN 0.334 nan 8.290 nan 0.000 0.474 24 K N -0.198 120.179 120.400 -0.037 0.000 2.267 24 K HA 0.403 4.723 4.320 0.000 0.000 0.246 24 K C -0.811 175.771 176.600 -0.029 0.000 0.954 24 K CA -0.809 55.456 56.287 -0.038 0.000 0.824 24 K CB 1.557 34.044 32.500 -0.022 0.000 1.167 24 K HN 0.697 nan 8.250 nan 0.000 0.431 25 D N 0.108 120.487 120.400 -0.034 0.000 3.041 25 D HA -0.185 4.455 4.640 0.000 0.000 0.220 25 D C -0.819 175.472 176.300 -0.015 0.000 1.157 25 D CA 0.983 54.974 54.000 -0.016 0.000 0.876 25 D CB -0.979 39.822 40.800 0.002 0.000 1.107 25 D HN 0.525 nan 8.370 nan 0.000 0.422 26 L N 0.567 121.765 121.223 -0.041 0.000 2.381 26 L HA 0.310 4.650 4.340 0.000 0.000 0.274 26 L C -0.686 176.136 176.870 -0.080 0.000 0.988 26 L CA -0.482 54.334 54.840 -0.041 0.000 0.824 26 L CB 1.646 43.685 42.059 -0.034 0.000 1.263 26 L HN -0.252 nan 8.230 nan 0.000 0.410 27 Q N 4.398 124.162 119.800 -0.060 0.000 2.314 27 Q HA 0.376 4.716 4.340 0.000 0.000 0.259 27 Q C -1.066 174.884 176.000 -0.084 0.000 0.951 27 Q CA -0.577 55.173 55.803 -0.089 0.000 0.909 27 Q CB 2.172 30.892 28.738 -0.031 0.000 1.236 27 Q HN 0.597 nan 8.270 nan 0.000 0.444 28 L N 3.401 124.547 121.223 -0.129 0.000 2.289 28 L HA 0.416 4.756 4.340 0.000 0.000 0.285 28 L C -1.058 175.711 176.870 -0.170 0.000 1.049 28 L CA -0.431 54.326 54.840 -0.139 0.000 0.804 28 L CB 1.439 43.398 42.059 -0.166 0.000 1.195 28 L HN 0.293 nan 8.230 nan 0.000 0.428 29 V N 6.817 126.644 119.914 -0.144 0.000 2.384 29 V HA 0.419 4.539 4.120 0.000 0.000 0.287 29 V C -0.050 175.925 176.094 -0.197 0.000 1.020 29 V CA -0.528 61.675 62.300 -0.161 0.000 0.850 29 V CB 1.393 33.168 31.823 -0.080 0.000 0.987 29 V HN 0.612 nan 8.190 nan 0.000 0.436 30 L N 4.387 125.399 121.223 -0.352 0.000 2.296 30 L HA 0.480 4.820 4.340 0.000 0.000 0.286 30 L C 0.273 177.093 176.870 -0.085 0.000 1.023 30 L CA -0.505 54.138 54.840 -0.329 0.000 0.812 30 L CB 1.181 42.802 42.059 -0.730 0.000 1.223 30 L HN 0.657 nan 8.230 nan 0.000 0.421 31 H N 3.098 122.142 119.070 -0.043 0.000 3.017 31 H HA 0.408 4.964 4.556 0.000 0.000 0.276 31 H C -0.104 175.296 175.328 0.121 0.000 1.062 31 H CA -0.146 55.965 56.048 0.106 0.000 1.486 31 H CB 0.609 30.476 29.762 0.174 0.000 1.507 31 H HN 0.773 nan 8.280 nan 0.000 0.508 32 G N 5.324 114.107 108.800 -0.027 0.000 2.601 32 G HA2 0.187 4.147 3.960 0.000 0.000 0.291 32 G HA3 0.187 4.147 3.960 0.000 0.000 0.291 32 G C -3.302 170.966 174.900 -1.052 0.000 1.456 32 G CA -1.137 43.749 45.100 -0.357 0.000 0.804 32 G HN 0.327 nan 8.290 nan 0.000 0.499 33 P HA 0.183 nan 4.420 nan 0.000 0.276 33 P C -0.446 176.589 177.300 -0.441 0.000 1.252 33 P CA -0.359 62.252 63.100 -0.816 0.000 0.802 33 P CB 1.042 32.553 31.700 -0.314 0.000 1.035 34 Q N 0.089 119.721 119.800 -0.281 0.000 2.300 34 Q HA 0.262 4.602 4.340 0.000 0.000 0.280 34 Q C 0.895 176.791 176.000 -0.174 0.000 1.033 34 Q CA 1.285 56.975 55.803 -0.189 0.000 0.903 34 Q CB -0.501 28.178 28.738 -0.097 0.000 1.195 34 Q HN 0.852 nan 8.270 nan 0.000 0.386 35 G N 3.909 112.594 108.800 -0.192 0.000 2.391 35 G HA2 -0.206 3.754 3.960 0.000 0.000 0.204 35 G HA3 -0.206 3.754 3.960 0.000 0.000 0.204 35 G C 0.476 175.307 174.900 -0.116 0.000 1.012 35 G CA 0.157 45.184 45.100 -0.121 0.000 0.651 35 G HN 0.698 nan 8.290 nan 0.000 0.494 36 D N 1.364 121.563 120.400 -0.335 0.000 2.348 36 D HA 0.048 4.688 4.640 0.000 0.000 0.216 36 D C 2.675 178.473 176.300 -0.837 0.000 0.970 36 D CA 1.671 55.410 54.000 -0.435 0.000 0.889 36 D CB -0.334 40.151 40.800 -0.523 0.000 0.912 36 D HN 0.639 nan 8.370 nan 0.000 0.524 37 T N -1.525 112.517 114.554 -0.854 0.000 3.077 37 T HA -0.219 4.131 4.350 0.000 0.000 0.269 37 T C 2.004 176.560 174.700 -0.240 0.000 1.146 37 T CA 0.665 62.452 62.100 -0.522 0.000 1.091 37 T CB -0.902 67.795 68.868 -0.284 0.000 0.892 37 T HN 0.414 nan 8.240 nan 0.000 0.533 38 Y N 1.795 122.002 120.300 -0.156 0.000 2.193 38 Y HA 0.013 4.563 4.550 0.000 0.000 0.285 38 Y C 2.514 178.398 175.900 -0.026 0.000 1.166 38 Y CA 0.453 58.505 58.100 -0.080 0.000 1.181 38 Y CB -1.127 37.282 38.460 -0.085 0.000 0.976 38 Y HN 0.256 nan 8.280 nan 0.000 0.520 39 A N 0.736 122.988 122.820 -0.946 0.000 2.125 39 A HA -0.169 4.151 4.320 0.000 0.000 0.219 39 A C 1.742 179.308 177.584 -0.030 0.000 1.156 39 A CA 1.542 53.255 52.037 -0.541 0.000 0.671 39 A CB -0.768 17.938 19.000 -0.489 0.000 0.794 39 A HN 0.583 nan 8.150 nan 0.000 0.459 40 D N 0.020 120.442 120.400 0.037 0.000 2.149 40 D HA -0.145 4.495 4.640 0.000 0.000 0.198 40 D C 1.559 177.949 176.300 0.150 0.000 0.990 40 D CA 1.042 55.145 54.000 0.172 0.000 0.839 40 D CB -0.245 40.608 40.800 0.088 0.000 0.948 40 D HN 0.358 nan 8.370 nan 0.000 0.460 41 L N 0.210 121.457 121.223 0.040 0.000 2.191 41 L HA -0.129 4.211 4.340 0.000 0.000 0.212 41 L C 2.152 178.971 176.870 -0.084 0.000 1.103 41 L CA 0.613 55.452 54.840 -0.001 0.000 0.769 41 L CB -0.530 41.535 42.059 0.010 0.000 0.908 41 L HN 0.040 nan 8.230 nan 0.000 0.438 42 L N -1.505 119.606 121.223 -0.188 0.000 2.042 42 L HA -0.203 4.137 4.340 0.000 0.000 0.210 42 L C 2.294 178.832 176.870 -0.554 0.000 1.076 42 L CA 1.915 56.490 54.840 -0.442 0.000 0.749 42 L CB -1.094 40.541 42.059 -0.706 0.000 0.893 42 L HN 0.161 nan 8.230 nan 0.000 0.432 43 F N -0.878 118.990 119.950 -0.137 0.000 2.179 43 F HA -0.089 4.438 4.527 0.000 0.000 0.292 43 F C 2.630 178.353 175.800 -0.129 0.000 1.089 43 F CA 1.240 59.151 58.000 -0.147 0.000 1.295 43 F CB -1.516 37.419 39.000 -0.109 0.000 1.041 43 F HN 0.141 nan 8.300 nan 0.000 0.487 44 T N -2.227 112.372 114.554 0.075 0.000 2.867 44 T HA -0.104 4.246 4.350 0.000 0.000 0.268 44 T C 1.781 176.464 174.700 -0.029 0.000 1.057 44 T CA 1.095 63.208 62.100 0.021 0.000 1.136 44 T CB -0.096 68.788 68.868 0.026 0.000 0.874 44 T HN 0.042 nan 8.240 nan 0.000 0.466 45 M N 0.034 119.594 119.600 -0.067 0.000 2.738 45 M HA 0.425 4.905 4.480 0.000 0.000 0.256 45 M C 2.384 178.613 176.300 -0.118 0.000 1.253 45 M CA 0.594 55.848 55.300 -0.077 0.000 1.223 45 M CB -0.590 31.970 32.600 -0.068 0.000 1.263 45 M HN 0.243 nan 8.290 nan 0.000 0.521 46 I N 0.100 120.549 120.570 -0.202 0.000 2.235 46 I HA -0.210 3.960 4.170 0.000 0.000 0.241 46 I C 2.290 178.131 176.117 -0.460 0.000 1.085 46 I CA 1.225 62.357 61.300 -0.280 0.000 1.378 46 I CB -0.254 37.541 38.000 -0.341 0.000 1.076 46 I HN 0.357 nan 8.210 nan 0.000 0.415 47 E N 1.283 121.126 120.200 -0.594 0.000 2.435 47 E HA -0.144 4.206 4.350 0.000 0.000 0.195 47 E C 0.762 177.261 176.600 -0.169 0.000 1.029 47 E CA 0.012 56.071 56.400 -0.569 0.000 0.865 47 E CB 0.261 29.672 29.700 -0.482 0.000 0.833 47 E HN 0.208 nan 8.360 nan 0.000 0.510 48 R N 0.675 121.103 120.500 -0.120 0.000 3.418 48 R HA -0.160 4.180 4.340 0.000 0.000 0.274 48 R C -1.255 175.042 176.300 -0.005 0.000 1.108 48 R CA 0.378 56.455 56.100 -0.038 0.000 0.741 48 R CB -2.010 28.285 30.300 -0.008 0.000 1.223 48 R HN 0.081 nan 8.270 nan 0.000 0.434 49 R N 0.665 121.166 120.500 0.002 0.000 2.490 49 R HA 0.089 4.429 4.340 0.000 0.000 0.280 49 R C 1.162 177.470 176.300 0.013 0.000 1.077 49 R CA 0.164 56.275 56.100 0.019 0.000 1.065 49 R CB 0.387 30.710 30.300 0.038 0.000 1.003 49 R HN 0.464 nan 8.270 nan 0.000 0.470 50 N N 0.838 119.544 118.700 0.011 0.000 2.322 50 N HA 0.053 4.793 4.740 0.000 0.000 0.194 50 N C -0.783 174.729 175.510 0.003 0.000 1.126 50 N CA -0.073 52.982 53.050 0.008 0.000 0.845 50 N CB 0.764 39.258 38.487 0.011 0.000 0.976 50 N HN 0.456 nan 8.380 nan 0.000 0.475 51 A N 0.092 122.910 122.820 -0.004 0.000 2.587 51 A HA 0.633 4.953 4.320 0.000 0.000 0.293 51 A C -0.683 176.885 177.584 -0.026 0.000 1.087 51 A CA -0.923 51.105 52.037 -0.015 0.000 0.692 51 A CB 1.263 20.247 19.000 -0.028 0.000 1.291 51 A HN 0.168 nan 8.150 nan 0.000 0.407 52 R N 1.044 121.526 120.500 -0.031 0.000 2.570 52 R HA 0.323 4.663 4.340 0.000 0.000 0.277 52 R C -2.328 173.908 176.300 -0.106 0.000 1.039 52 R CA -0.816 55.258 56.100 -0.044 0.000 1.065 52 R CB -0.192 30.090 30.300 -0.028 0.000 0.964 52 R HN 0.436 nan 8.270 nan 0.000 0.428 53 P HA -0.022 nan 4.420 nan 0.000 0.266 53 P C -2.201 174.950 177.300 -0.248 0.000 1.193 53 P CA -0.833 62.121 63.100 -0.243 0.000 0.770 53 P CB 0.274 31.776 31.700 -0.330 0.000 0.836 54 P HA 0.060 nan 4.420 nan 0.000 0.225 54 P C -0.940 176.200 177.300 -0.266 0.000 1.768 54 P CA 0.407 63.320 63.100 -0.312 0.000 0.943 54 P CB -0.025 31.510 31.700 -0.275 0.000 1.936 55 V N 0.642 120.415 119.914 -0.235 0.000 2.569 55 V HA 0.354 4.474 4.120 0.000 0.000 0.301 55 V C 0.082 176.080 176.094 -0.160 0.000 1.044 55 V CA -0.486 61.675 62.300 -0.232 0.000 0.874 55 V CB 2.130 33.806 31.823 -0.244 0.000 1.002 55 V HN 0.334 nan 8.190 nan 0.000 0.424 56 S N 3.832 119.420 115.700 -0.186 0.000 2.566 56 S HA 0.894 5.364 4.470 0.000 0.000 0.298 56 S C -1.140 173.342 174.600 -0.197 0.000 1.083 56 S CA -0.674 57.490 58.200 -0.059 0.000 0.978 56 S CB 2.043 65.255 63.200 0.020 0.000 1.073 56 S HN 0.289 nan 8.310 nan 0.000 0.491 57 F N 1.152 121.079 119.950 -0.038 0.000 2.492 57 F HA 0.456 4.983 4.527 0.000 0.000 0.327 57 F C 1.835 177.621 175.800 -0.024 0.000 1.079 57 F CA -0.743 57.223 58.000 -0.057 0.000 0.967 57 F CB 2.162 41.092 39.000 -0.116 0.000 1.169 57 F HN 0.815 nan 8.300 nan 0.000 0.472 58 S N -0.613 115.196 115.700 0.181 0.000 2.419 58 S HA -0.133 4.337 4.470 0.000 0.000 0.233 58 S C 0.684 175.372 174.600 0.147 0.000 1.016 58 S CA 0.964 59.281 58.200 0.196 0.000 0.974 58 S CB -1.016 62.424 63.200 0.400 0.000 0.786 58 S HN 0.849 nan 8.310 nan 0.000 0.492 59 T N 1.891 116.456 114.554 0.019 0.000 4.056 59 T HA -0.175 4.175 4.350 0.000 0.000 0.356 59 T C -0.093 174.602 174.700 -0.009 0.000 0.757 59 T CA 0.833 62.896 62.100 -0.061 0.000 1.949 59 T CB -2.967 65.912 68.868 0.019 0.000 1.834 59 T HN 0.723 nan 8.240 nan 0.000 0.846 60 F N 0.274 120.285 119.950 0.103 0.000 2.418 60 F HA 0.710 5.237 4.527 0.000 0.000 0.341 60 F C 0.559 176.392 175.800 0.054 0.000 1.120 60 F CA -0.876 57.179 58.000 0.093 0.000 1.232 60 F CB 0.787 39.837 39.000 0.084 0.000 1.175 60 F HN 0.310 nan 8.300 nan 0.000 0.569 61 E N 2.852 123.246 120.200 0.324 0.000 2.446 61 E HA 0.482 4.832 4.350 0.000 0.000 0.276 61 E C -0.063 176.638 176.600 0.170 0.000 0.969 61 E CA -0.533 55.980 56.400 0.188 0.000 0.800 61 E CB 1.400 31.144 29.700 0.074 0.000 1.341 61 E HN 0.741 nan 8.360 nan 0.000 0.460 62 A N 1.384 124.269 122.820 0.108 0.000 1.948 62 A HA -0.222 4.098 4.320 0.000 0.000 0.220 62 A C 2.058 179.691 177.584 0.082 0.000 1.177 62 A CA 3.016 55.103 52.037 0.083 0.000 0.636 62 A CB -0.974 18.058 19.000 0.053 0.000 0.815 62 A HN 0.756 nan 8.150 nan 0.000 0.449 63 S N -1.791 113.952 115.700 0.071 0.000 2.489 63 S HA -0.051 4.419 4.470 0.000 0.000 0.228 63 S C 0.809 175.547 174.600 0.229 0.000 0.995 63 S CA 0.693 58.941 58.200 0.080 0.000 0.934 63 S CB -0.500 62.697 63.200 -0.005 0.000 0.771 63 S HN 0.715 nan 8.310 nan 0.000 0.522 64 H N 0.511 119.617 119.070 0.060 0.000 2.429 64 H HA 0.392 4.948 4.556 0.000 0.000 0.237 64 H C -0.332 175.036 175.328 0.067 0.000 1.378 64 H CA -0.799 55.289 56.048 0.067 0.000 1.170 64 H CB 0.228 30.042 29.762 0.088 0.000 1.671 64 H HN 0.312 nan 8.280 nan 0.000 0.541 65 M N -0.779 118.891 119.600 0.116 0.000 2.734 65 M HA 0.384 4.864 4.480 0.000 0.000 0.264 65 M C 1.432 177.719 176.300 -0.022 0.000 1.080 65 M CA 0.024 55.332 55.300 0.013 0.000 0.981 65 M CB 0.719 33.313 32.600 -0.009 0.000 1.514 65 M HN 0.608 nan 8.290 nan 0.000 0.569 66 G N 0.741 109.506 108.800 -0.058 0.000 2.531 66 G HA2 -0.308 3.652 3.960 0.000 0.000 0.274 66 G HA3 -0.308 3.652 3.960 0.000 0.000 0.274 66 G C 0.599 175.472 174.900 -0.044 0.000 1.159 66 G CA 1.116 46.188 45.100 -0.046 0.000 0.969 66 G HN 0.897 nan 8.290 nan 0.000 0.554 67 T N -1.421 113.112 114.554 -0.034 0.000 3.051 67 T HA 0.089 4.439 4.350 0.000 0.000 0.269 67 T C 1.542 176.221 174.700 -0.035 0.000 1.127 67 T CA 1.959 64.041 62.100 -0.030 0.000 1.107 67 T CB -0.091 68.760 68.868 -0.028 0.000 0.898 67 T HN 0.424 nan 8.240 nan 0.000 0.517 68 D N 2.195 122.565 120.400 -0.049 0.000 2.183 68 D HA -0.067 4.573 4.640 0.000 0.000 0.203 68 D C 2.572 178.881 176.300 0.016 0.000 0.969 68 D CA 1.788 55.750 54.000 -0.064 0.000 0.842 68 D CB -0.526 40.185 40.800 -0.149 0.000 0.957 68 D HN 0.699 nan 8.370 nan 0.000 0.484 69 T N -1.007 113.568 114.554 0.035 0.000 2.788 69 T HA -0.062 4.288 4.350 0.000 0.000 0.268 69 T C 2.083 176.902 174.700 0.198 0.000 1.044 69 T CA 1.409 63.594 62.100 0.141 0.000 1.139 69 T CB -0.245 68.569 68.868 -0.090 0.000 0.867 69 T HN 0.064 nan 8.240 nan 0.000 0.454 70 A N 2.001 124.862 122.820 0.067 0.000 1.873 70 A HA 0.124 4.444 4.320 0.000 0.000 0.215 70 A C 2.419 179.987 177.584 -0.026 0.000 1.186 70 A CA 1.253 53.287 52.037 -0.005 0.000 0.616 70 A CB -0.657 18.338 19.000 -0.009 0.000 0.823 70 A HN 0.471 nan 8.150 nan 0.000 0.442 71 I N 0.158 120.725 120.570 -0.005 0.000 2.208 71 I HA -0.253 3.917 4.170 0.000 0.000 0.245 71 I C 2.472 178.599 176.117 0.015 0.000 1.097 71 I CA 1.325 62.621 61.300 -0.006 0.000 1.363 71 I CB -1.489 36.500 38.000 -0.020 0.000 1.051 71 I HN 0.290 nan 8.210 nan 0.000 0.413 72 L N -0.280 120.981 121.223 0.063 0.000 2.083 72 L HA -0.221 4.119 4.340 0.000 0.000 0.209 72 L C 2.571 179.486 176.870 0.075 0.000 1.083 72 L CA 0.815 55.724 54.840 0.115 0.000 0.752 72 L CB -0.525 41.675 42.059 0.234 0.000 0.899 72 L HN 0.234 nan 8.230 nan 0.000 0.433 73 L N 0.156 121.368 121.223 -0.019 0.000 2.056 73 L HA -0.206 4.134 4.340 0.000 0.000 0.207 73 L C 2.548 179.368 176.870 -0.083 0.000 1.078 73 L CA 1.764 56.515 54.840 -0.150 0.000 0.749 73 L CB -0.595 41.141 42.059 -0.538 0.000 0.901 73 L HN 0.123 nan 8.230 nan 0.000 0.433 74 K N -0.616 119.744 120.400 -0.067 0.000 2.009 74 K HA -0.222 4.098 4.320 0.000 0.000 0.210 74 K C 1.723 178.317 176.600 -0.010 0.000 1.049 74 K CA 1.996 58.260 56.287 -0.038 0.000 0.929 74 K CB -0.239 32.241 32.500 -0.032 0.000 0.714 74 K HN 0.381 nan 8.250 nan 0.000 0.440 75 D N 0.237 120.641 120.400 0.007 0.000 2.178 75 D HA -0.139 4.501 4.640 0.000 0.000 0.201 75 D C 1.740 178.060 176.300 0.033 0.000 0.980 75 D CA 1.274 55.288 54.000 0.024 0.000 0.842 75 D CB -0.138 40.684 40.800 0.037 0.000 0.948 75 D HN 0.392 nan 8.370 nan 0.000 0.472 76 A N 0.470 123.310 122.820 0.033 0.000 1.930 76 A HA -0.068 4.252 4.320 0.000 0.000 0.217 76 A C 2.369 179.973 177.584 0.033 0.000 1.175 76 A CA 0.697 52.758 52.037 0.041 0.000 0.627 76 A CB -0.627 18.399 19.000 0.043 0.000 0.815 76 A HN 0.170 nan 8.150 nan 0.000 0.443 77 L N -0.757 120.474 121.223 0.014 0.000 2.027 77 L HA -0.149 4.191 4.340 0.000 0.000 0.206 77 L C 3.117 180.017 176.870 0.051 0.000 1.074 77 L CA 1.049 55.900 54.840 0.018 0.000 0.745 77 L CB -0.521 41.530 42.059 -0.014 0.000 0.898 77 L HN 0.414 nan 8.230 nan 0.000 0.433 78 A N 0.030 122.874 122.820 0.040 0.000 1.883 78 A HA -0.226 4.095 4.320 0.000 0.000 0.217 78 A C 2.502 180.135 177.584 0.082 0.000 1.186 78 A CA 1.989 54.063 52.037 0.061 0.000 0.624 78 A CB -0.866 18.155 19.000 0.035 0.000 0.822 78 A HN 0.411 nan 8.150 nan 0.000 0.444 79 A N -0.350 122.504 122.820 0.057 0.000 1.898 79 A HA 0.194 4.514 4.320 0.000 0.000 0.216 79 A C 2.506 180.122 177.584 0.053 0.000 1.181 79 A CA 2.058 54.119 52.037 0.040 0.000 0.620 79 A CB -1.005 18.017 19.000 0.037 0.000 0.819 79 A HN 1.086 nan 8.150 nan 0.000 0.442 80 A N -1.223 121.660 122.820 0.105 0.000 1.933 80 A HA -0.213 4.107 4.320 0.000 0.000 0.218 80 A C 2.148 179.845 177.584 0.187 0.000 1.175 80 A CA 1.740 53.888 52.037 0.185 0.000 0.628 80 A CB -0.913 18.173 19.000 0.144 0.000 0.814 80 A HN 0.779 nan 8.150 nan 0.000 0.444 81 H N -0.164 118.941 119.070 0.058 0.000 2.333 81 H HA 0.005 4.561 4.556 0.000 0.000 0.302 81 H C 2.248 177.584 175.328 0.014 0.000 1.075 81 H CA 1.525 57.597 56.048 0.040 0.000 1.348 81 H CB -0.139 29.633 29.762 0.017 0.000 1.393 81 H HN 0.396 nan 8.280 nan 0.000 0.509 82 A N 1.244 124.013 122.820 -0.084 0.000 1.972 82 A HA -0.156 4.164 4.320 0.000 0.000 0.219 82 A C 2.572 180.032 177.584 -0.207 0.000 1.169 82 A CA 1.515 53.462 52.037 -0.150 0.000 0.635 82 A CB -0.566 18.412 19.000 -0.037 0.000 0.810 82 A HN 0.457 nan 8.150 nan 0.000 0.446 83 R N -2.391 117.968 120.500 -0.235 0.000 2.080 83 R HA -0.000 4.340 4.340 0.000 0.000 0.222 83 R C 1.288 177.263 176.300 -0.543 0.000 1.107 83 R CA 1.319 57.153 56.100 -0.443 0.000 0.980 83 R CB -0.134 29.777 30.300 -0.648 0.000 0.879 83 R HN 0.603 nan 8.270 nan 0.000 0.439 84 Y N 0.539 120.782 120.300 -0.095 0.000 2.442 84 Y HA 0.238 4.788 4.550 0.000 0.000 0.250 84 Y C -0.059 175.778 175.900 -0.105 0.000 1.113 84 Y CA -0.622 57.429 58.100 -0.081 0.000 1.273 84 Y CB 0.851 39.278 38.460 -0.054 0.000 1.138 84 Y HN -0.185 nan 8.280 nan 0.000 0.522 85 K N 0.461 120.806 120.400 -0.092 0.000 3.490 85 K HA -0.175 4.145 4.320 0.000 0.000 0.273 85 K C -2.860 173.732 176.600 -0.014 0.000 0.916 85 K CA 0.277 56.464 56.287 -0.166 0.000 0.718 85 K CB -1.979 30.439 32.500 -0.137 0.000 1.477 85 K HN 0.346 nan 8.250 nan 0.000 0.452 86 P HA 0.108 nan 4.420 nan 0.000 0.274 86 P C 0.671 178.016 177.300 0.075 0.000 1.237 86 P CA -0.255 62.884 63.100 0.064 0.000 0.793 86 P CB 0.690 32.431 31.700 0.068 0.000 0.977 87 Q N -0.038 119.791 119.800 0.048 0.000 2.230 87 Q HA 0.141 4.481 4.340 0.000 0.000 0.202 87 Q C 0.642 176.669 176.000 0.044 0.000 0.963 87 Q CA 1.020 56.850 55.803 0.044 0.000 0.866 87 Q CB 0.056 28.812 28.738 0.029 0.000 0.931 87 Q HN 0.626 nan 8.270 nan 0.000 0.452 88 A N -0.433 122.410 122.820 0.039 0.000 2.581 88 A HA 0.750 5.070 4.320 0.000 0.000 0.290 88 A C -1.515 176.083 177.584 0.024 0.000 1.119 88 A CA -0.748 51.306 52.037 0.028 0.000 0.670 88 A CB 1.339 20.347 19.000 0.013 0.000 1.280 88 A HN 0.082 nan 8.150 nan 0.000 0.425 89 M N -0.253 119.353 119.600 0.009 0.000 2.593 89 M HA 0.685 5.165 4.480 0.000 0.000 0.290 89 M C -0.446 175.842 176.300 -0.020 0.000 1.244 89 M CA -0.536 54.762 55.300 -0.003 0.000 0.857 89 M CB 2.545 35.150 32.600 0.009 0.000 1.738 89 M HN 1.143 nan 8.290 nan 0.000 0.461 90 A N 1.267 124.067 122.820 -0.034 0.000 2.401 90 A HA 0.894 5.214 4.320 0.000 0.000 0.310 90 A C -1.700 175.855 177.584 -0.049 0.000 1.075 90 A CA -0.776 51.238 52.037 -0.039 0.000 0.746 90 A CB 1.966 20.942 19.000 -0.040 0.000 1.277 90 A HN 0.643 nan 8.150 nan 0.000 0.425 91 V N 1.011 120.901 119.914 -0.040 0.000 2.638 91 V HA 0.850 4.970 4.120 0.000 0.000 0.306 91 V C -0.181 175.901 176.094 -0.020 0.000 1.052 91 V CA 0.447 62.724 62.300 -0.040 0.000 0.885 91 V CB 1.317 33.118 31.823 -0.037 0.000 0.999 91 V HN 1.957 nan 8.190 nan 0.000 0.424 92 A N 6.055 128.866 122.820 -0.016 0.000 2.564 92 A HA 0.911 5.231 4.320 0.000 0.000 0.288 92 A C -1.732 175.886 177.584 0.057 0.000 1.164 92 A CA -0.815 51.235 52.037 0.022 0.000 0.712 92 A CB 1.739 20.752 19.000 0.022 0.000 1.303 92 A HN 0.838 nan 8.150 nan 0.000 0.418 93 L N 1.051 122.329 121.223 0.091 0.000 2.307 93 L HA 0.439 4.779 4.340 0.000 0.000 0.284 93 L C 0.566 177.489 176.870 0.089 0.000 1.023 93 L CA -0.583 54.332 54.840 0.125 0.000 0.810 93 L CB 1.743 43.894 42.059 0.153 0.000 1.231 93 L HN 0.796 nan 8.230 nan 0.000 0.423 94 T N 0.769 115.337 114.554 0.022 0.000 2.734 94 T HA -0.048 4.302 4.350 0.000 0.000 0.314 94 T C 1.420 176.179 174.700 0.098 0.000 1.057 94 T CA -0.215 61.845 62.100 -0.066 0.000 1.047 94 T CB 0.712 69.487 68.868 -0.154 0.000 0.991 94 T HN 0.945 nan 8.240 nan 0.000 0.540 95 C N 0.798 120.168 119.300 0.118 0.000 2.401 95 C HA -0.098 4.362 4.460 0.000 0.000 0.276 95 C C 2.592 177.716 174.990 0.224 0.000 1.233 95 C CA 1.267 60.326 59.018 0.069 0.000 1.753 95 C CB -1.868 25.793 27.740 -0.132 0.000 2.029 95 C HN 0.907 nan 8.230 nan 0.000 0.478 96 T N 1.670 116.342 114.554 0.196 0.000 2.777 96 T HA 0.068 4.418 4.350 0.000 0.000 0.266 96 T C 2.318 177.147 174.700 0.215 0.000 1.040 96 T CA 1.811 64.051 62.100 0.234 0.000 1.141 96 T CB -0.533 68.489 68.868 0.256 0.000 0.868 96 T HN 0.783 nan 8.240 nan 0.000 0.444 97 A N 1.502 124.453 122.820 0.219 0.000 2.015 97 A HA -0.071 4.249 4.320 0.000 0.000 0.219 97 A C 2.162 179.808 177.584 0.104 0.000 1.163 97 A CA 1.163 53.266 52.037 0.111 0.000 0.646 97 A CB -0.467 18.594 19.000 0.102 0.000 0.806 97 A HN 0.501 nan 8.150 nan 0.000 0.448 98 E N -0.182 120.116 120.200 0.164 0.000 2.160 98 E HA -0.173 4.177 4.350 0.000 0.000 0.195 98 E C 1.495 178.167 176.600 0.120 0.000 0.991 98 E CA 1.114 57.617 56.400 0.173 0.000 0.810 98 E CB -0.248 29.618 29.700 0.276 0.000 0.742 98 E HN 0.683 nan 8.360 nan 0.000 0.466 99 L N 0.593 121.880 121.223 0.106 0.000 2.554 99 L HA 0.017 4.357 4.340 0.000 0.000 0.226 99 L C 0.681 177.547 176.870 -0.006 0.000 1.137 99 L CA -0.218 54.643 54.840 0.035 0.000 0.863 99 L CB -0.038 42.044 42.059 0.039 0.000 0.985 99 L HN 0.038 nan 8.230 nan 0.000 0.451 100 L N -0.429 120.782 121.223 -0.019 0.000 2.448 100 L HA 0.183 4.523 4.340 0.000 0.000 0.258 100 L C 1.186 178.053 176.870 -0.006 0.000 1.104 100 L CA 0.365 55.169 54.840 -0.059 0.000 0.800 100 L CB 0.559 42.521 42.059 -0.162 0.000 1.241 100 L HN 0.024 nan 8.230 nan 0.000 0.472 101 Q N -0.231 119.565 119.800 -0.007 0.000 2.247 101 Q HA 0.165 4.505 4.340 0.000 0.000 0.204 101 Q C -0.885 175.135 176.000 0.034 0.000 0.872 101 Q CA -0.117 55.693 55.803 0.012 0.000 0.951 101 Q CB 0.491 29.228 28.738 -0.002 0.000 1.099 101 Q HN 0.551 nan 8.270 nan 0.000 0.501 102 D N 1.823 122.265 120.400 0.069 0.000 2.350 102 D HA 0.074 4.714 4.640 0.000 0.000 0.249 102 D C -0.445 175.899 176.300 0.074 0.000 1.119 102 D CA 0.176 54.227 54.000 0.086 0.000 0.886 102 D CB 1.123 42.025 40.800 0.171 0.000 1.195 102 D HN -0.090 nan 8.370 nan 0.000 0.437 103 D N 2.124 122.544 120.400 0.032 0.000 2.443 103 D HA 0.209 4.849 4.640 0.000 0.000 0.221 103 D C -1.817 174.485 176.300 0.004 0.000 1.097 103 D CA -2.261 51.753 54.000 0.023 0.000 0.865 103 D CB 1.608 42.415 40.800 0.012 0.000 1.034 103 D HN -0.054 nan 8.370 nan 0.000 0.511 104 P HA -0.089 nan 4.420 nan 0.000 0.217 104 P C 1.251 178.541 177.300 -0.017 0.000 1.151 104 P CA 0.646 63.739 63.100 -0.012 0.000 0.828 104 P CB 0.232 31.941 31.700 0.014 0.000 0.788 105 N N -0.020 118.677 118.700 -0.006 0.000 2.084 105 N HA -0.124 4.616 4.740 0.000 0.000 0.190 105 N C 1.979 177.480 175.510 -0.015 0.000 1.030 105 N CA 1.651 54.694 53.050 -0.010 0.000 0.849 105 N CB -0.671 37.814 38.487 -0.003 0.000 1.012 105 N HN 0.049 nan 8.380 nan 0.000 0.423 106 G N 1.263 110.056 108.800 -0.012 0.000 2.408 106 G HA2 -0.143 3.817 3.960 0.000 0.000 0.217 106 G HA3 -0.143 3.817 3.960 0.000 0.000 0.217 106 G C 1.688 176.574 174.900 -0.022 0.000 1.150 106 G CA 0.411 45.502 45.100 -0.014 0.000 0.776 106 G HN 0.294 nan 8.290 nan 0.000 0.542 107 I N 1.654 122.206 120.570 -0.030 0.000 2.202 107 I HA -0.190 3.980 4.170 0.000 0.000 0.242 107 I C 3.193 179.285 176.117 -0.042 0.000 1.091 107 I CA 1.548 62.824 61.300 -0.041 0.000 1.368 107 I CB -0.160 37.802 38.000 -0.063 0.000 1.058 107 I HN 0.344 nan 8.210 nan 0.000 0.410 108 S N 1.015 116.689 115.700 -0.042 0.000 2.383 108 S HA -0.146 4.324 4.470 0.000 0.000 0.227 108 S C 2.117 176.691 174.600 -0.043 0.000 1.026 108 S CA 0.691 58.865 58.200 -0.044 0.000 0.981 108 S CB -0.442 62.732 63.200 -0.043 0.000 0.818 108 S HN 0.367 nan 8.310 nan 0.000 0.472 109 R N 1.317 121.797 120.500 -0.034 0.000 2.115 109 R HA 0.156 4.496 4.340 0.000 0.000 0.230 109 R C 2.514 178.796 176.300 -0.031 0.000 1.111 109 R CA 1.154 57.235 56.100 -0.031 0.000 0.976 109 R CB -0.591 29.695 30.300 -0.024 0.000 0.870 109 R HN 0.592 nan 8.270 nan 0.000 0.445 110 A N 0.589 123.392 122.820 -0.030 0.000 2.167 110 A HA 0.037 4.357 4.320 0.000 0.000 0.214 110 A C 1.949 179.515 177.584 -0.030 0.000 1.151 110 A CA 0.516 52.537 52.037 -0.027 0.000 0.735 110 A CB -0.105 18.881 19.000 -0.024 0.000 0.802 110 A HN 0.175 nan 8.150 nan 0.000 0.467 111 L N -1.542 119.658 121.223 -0.038 0.000 2.209 111 L HA -0.008 4.332 4.340 0.000 0.000 0.207 111 L C 0.666 177.504 176.870 -0.053 0.000 1.094 111 L CA 0.513 55.327 54.840 -0.043 0.000 0.790 111 L CB -0.115 41.914 42.059 -0.050 0.000 0.932 111 L HN 0.510 nan 8.230 nan 0.000 0.447 112 N N 0.804 119.470 118.700 -0.057 0.000 2.714 112 N HA -0.192 4.548 4.740 0.000 0.000 0.253 112 N C -0.655 174.802 175.510 -0.090 0.000 1.024 112 N CA 0.213 53.227 53.050 -0.060 0.000 0.726 112 N CB -1.088 37.374 38.487 -0.042 0.000 0.908 112 N HN -0.030 nan 8.380 nan 0.000 0.542 113 L N 0.770 121.911 121.223 -0.135 0.000 2.452 113 L HA 0.260 4.600 4.340 0.000 0.000 0.267 113 L C -0.507 176.242 176.870 -0.201 0.000 1.188 113 L CA -1.187 53.503 54.840 -0.249 0.000 0.821 113 L CB -0.012 41.834 42.059 -0.356 0.000 1.102 113 L HN 0.179 nan 8.230 nan 0.000 0.470 114 P HA -0.053 nan 4.420 nan 0.000 0.225 114 P C -0.395 176.877 177.300 -0.047 0.000 1.148 114 P CA 0.690 63.743 63.100 -0.079 0.000 0.779 114 P CB 0.005 31.710 31.700 0.009 0.000 0.780 115 V N -4.877 114.986 119.914 -0.085 0.000 3.019 115 V HA 0.633 4.753 4.120 0.000 0.000 0.317 115 V C -2.645 173.424 176.094 -0.043 0.000 1.094 115 V CA -3.095 59.190 62.300 -0.025 0.000 1.000 115 V CB 1.035 32.881 31.823 0.039 0.000 1.060 115 V HN -0.257 nan 8.190 nan 0.000 0.443 116 P HA 0.218 nan 4.420 nan 0.000 0.267 116 P C -0.707 176.576 177.300 -0.027 0.000 1.205 116 P CA 0.127 63.212 63.100 -0.025 0.000 0.765 116 P CB 1.058 32.749 31.700 -0.015 0.000 0.828 117 V N 4.622 124.515 119.914 -0.035 0.000 2.313 117 V HA 0.132 4.252 4.120 0.000 0.000 0.278 117 V C 0.385 176.461 176.094 -0.030 0.000 1.017 117 V CA -0.756 61.524 62.300 -0.034 0.000 0.823 117 V CB 1.716 33.513 31.823 -0.043 0.000 1.010 117 V HN 0.259 nan 8.190 nan 0.000 0.443 118 V N 8.335 128.233 119.914 -0.028 0.000 2.368 118 V HA 0.287 4.407 4.120 0.000 0.000 0.266 118 V C -1.828 174.250 176.094 -0.026 0.000 1.045 118 V CA -1.582 60.701 62.300 -0.029 0.000 0.899 118 V CB 1.138 32.942 31.823 -0.031 0.000 1.006 118 V HN 0.692 nan 8.190 nan 0.000 0.470 119 P HA 0.331 nan 4.420 nan 0.000 0.275 119 P C -0.948 176.346 177.300 -0.009 0.000 1.228 119 P CA -0.179 62.914 63.100 -0.012 0.000 0.786 119 P CB 1.147 32.843 31.700 -0.007 0.000 0.927 120 L N 1.548 122.772 121.223 0.002 0.000 2.346 120 L HA 0.466 4.806 4.340 0.000 0.000 0.276 120 L C 0.446 177.337 176.870 0.035 0.000 1.006 120 L CA -0.812 54.032 54.840 0.006 0.000 0.817 120 L CB 1.805 43.864 42.059 0.000 0.000 1.272 120 L HN 0.252 nan 8.230 nan 0.000 0.421 121 E N 3.400 123.627 120.200 0.045 0.000 2.035 121 E HA 0.471 4.821 4.350 0.000 0.000 0.271 121 E C -1.355 175.325 176.600 0.133 0.000 0.953 121 E CA -0.076 56.375 56.400 0.086 0.000 0.777 121 E CB 0.609 30.361 29.700 0.087 0.000 1.104 121 E HN 0.393 nan 8.360 nan 0.000 0.408 122 L N 6.640 127.949 121.223 0.144 0.000 2.366 122 L HA 0.453 4.794 4.340 0.000 0.000 0.266 122 L C -2.224 174.760 176.870 0.190 0.000 1.010 122 L CA -2.151 52.802 54.840 0.189 0.000 0.879 122 L CB 1.506 43.653 42.059 0.146 0.000 1.228 122 L HN 0.349 nan 8.230 nan 0.000 0.439 123 P HA 0.151 nan 4.420 nan 0.000 0.274 123 P C 0.556 177.936 177.300 0.133 0.000 1.470 123 P CA -0.063 63.135 63.100 0.163 0.000 1.001 123 P CB 1.581 33.354 31.700 0.121 0.000 1.332 124 S N 1.901 117.662 115.700 0.102 0.000 2.481 124 S HA -0.064 4.406 4.470 0.000 0.000 0.231 124 S C 0.703 175.159 174.600 -0.238 0.000 0.996 124 S CA 0.750 58.905 58.200 -0.074 0.000 0.942 124 S CB -0.538 62.562 63.200 -0.167 0.000 0.768 124 S HN 0.374 nan 8.310 nan 0.000 0.520 125 Y N 0.457 120.798 120.300 0.069 0.000 2.449 125 Y HA 0.232 4.782 4.550 0.000 0.000 0.254 125 Y C 2.315 178.237 175.900 0.036 0.000 1.140 125 Y CA 0.389 58.520 58.100 0.052 0.000 1.272 125 Y CB 0.356 38.844 38.460 0.047 0.000 1.114 125 Y HN 0.390 nan 8.280 nan 0.000 0.525 126 S N -1.617 114.163 115.700 0.133 0.000 2.619 126 S HA 0.337 4.807 4.470 0.000 0.000 0.238 126 S C 0.566 175.172 174.600 0.011 0.000 1.068 126 S CA -0.425 57.814 58.200 0.065 0.000 0.926 126 S CB 0.574 63.801 63.200 0.044 0.000 0.864 126 S HN -0.102 nan 8.310 nan 0.000 0.493 127 R N 1.162 121.667 120.500 0.009 0.000 2.919 127 R HA 0.725 5.065 4.340 0.000 0.000 0.260 127 R C -0.619 175.720 176.300 0.066 0.000 1.067 127 R CA -0.571 55.528 56.100 -0.002 0.000 1.003 127 R CB 0.906 31.156 30.300 -0.082 0.000 1.192 127 R HN 0.268 nan 8.270 nan 0.000 0.488 128 K N 0.045 120.512 120.400 0.113 0.000 2.149 128 K HA 0.262 4.582 4.320 0.000 0.000 0.241 128 K C 0.922 177.592 176.600 0.116 0.000 1.083 128 K CA -0.854 55.487 56.287 0.090 0.000 0.885 128 K CB 1.241 33.789 32.500 0.079 0.000 1.374 128 K HN 0.539 nan 8.250 nan 0.000 0.511 129 E N 0.946 121.182 120.200 0.060 0.000 2.065 129 E HA -0.299 4.051 4.350 0.000 0.000 0.201 129 E C 1.283 177.935 176.600 0.087 0.000 1.016 129 E CA 1.953 58.378 56.400 0.042 0.000 0.818 129 E CB 0.010 29.714 29.700 0.005 0.000 0.749 129 E HN 0.360 nan 8.360 nan 0.000 0.453 130 N N -0.345 118.433 118.700 0.130 0.000 2.120 130 N HA -0.187 4.553 4.740 0.000 0.000 0.188 130 N C 1.608 177.208 175.510 0.150 0.000 1.024 130 N CA 1.216 54.351 53.050 0.142 0.000 0.852 130 N CB -0.667 37.921 38.487 0.169 0.000 1.003 130 N HN 0.322 nan 8.380 nan 0.000 0.424 131 Y N 1.325 121.668 120.300 0.073 0.000 2.181 131 Y HA -0.092 4.458 4.550 0.000 0.000 0.288 131 Y C 2.295 178.234 175.900 0.064 0.000 1.146 131 Y CA 1.789 59.928 58.100 0.067 0.000 1.164 131 Y CB -0.736 37.759 38.460 0.059 0.000 0.982 131 Y HN 0.038 nan 8.280 nan 0.000 0.515 132 G N -0.336 108.473 108.800 0.015 0.000 2.442 132 G HA2 -0.259 3.701 3.960 0.000 0.000 0.219 132 G HA3 -0.259 3.701 3.960 0.000 0.000 0.219 132 G C 1.776 176.626 174.900 -0.083 0.000 1.141 132 G CA 1.025 46.092 45.100 -0.055 0.000 0.763 132 G HN 0.604 nan 8.290 nan 0.000 0.554 133 A N 0.687 123.493 122.820 -0.023 0.000 1.898 133 A HA 0.054 4.374 4.320 0.000 0.000 0.214 133 A C 2.036 179.636 177.584 0.027 0.000 1.183 133 A CA 1.955 54.000 52.037 0.014 0.000 0.622 133 A CB -0.478 18.550 19.000 0.046 0.000 0.824 133 A HN 0.346 nan 8.150 nan 0.000 0.444 134 D N -0.385 120.013 120.400 -0.004 0.000 2.104 134 D HA -0.212 4.428 4.640 0.000 0.000 0.194 134 D C 1.918 178.163 176.300 -0.092 0.000 0.994 134 D CA 1.782 55.788 54.000 0.010 0.000 0.830 134 D CB -0.070 40.737 40.800 0.012 0.000 0.959 134 D HN 0.448 nan 8.370 nan 0.000 0.452 135 E N -0.603 119.403 120.200 -0.323 0.000 2.047 135 E HA -0.112 4.238 4.350 0.000 0.000 0.191 135 E C 2.003 178.505 176.600 -0.162 0.000 0.987 135 E CA 1.834 58.022 56.400 -0.354 0.000 0.799 135 E CB -0.659 28.625 29.700 -0.694 0.000 0.752 135 E HN 0.210 nan 8.360 nan 0.000 0.449 136 T N 0.585 115.079 114.554 -0.102 0.000 2.665 136 T HA -0.175 4.175 4.350 0.000 0.000 0.268 136 T C 1.453 176.184 174.700 0.050 0.000 1.035 136 T CA 1.488 63.575 62.100 -0.022 0.000 1.151 136 T CB -0.597 68.271 68.868 0.001 0.000 0.862 136 T HN 0.242 nan 8.240 nan 0.000 0.438 137 F N 2.329 122.231 119.950 -0.081 0.000 2.146 137 F HA 0.028 4.555 4.527 0.000 0.000 0.298 137 F C 2.483 178.239 175.800 -0.074 0.000 1.096 137 F CA 0.984 58.949 58.000 -0.059 0.000 1.275 137 F CB -0.493 38.486 39.000 -0.035 0.000 1.008 137 F HN -0.062 nan 8.300 nan 0.000 0.480 138 R N 0.501 120.868 120.500 -0.220 0.000 2.080 138 R HA -0.193 4.147 4.340 0.000 0.000 0.236 138 R C 2.342 178.463 176.300 -0.298 0.000 1.137 138 R CA 1.692 57.599 56.100 -0.322 0.000 0.943 138 R CB -0.832 29.346 30.300 -0.204 0.000 0.846 138 R HN 0.337 nan 8.270 nan 0.000 0.431 139 A N 0.967 123.673 122.820 -0.190 0.000 1.940 139 A HA -0.161 4.159 4.320 0.000 0.000 0.219 139 A C 2.061 179.558 177.584 -0.145 0.000 1.176 139 A CA 1.168 53.112 52.037 -0.155 0.000 0.631 139 A CB -0.459 18.484 19.000 -0.095 0.000 0.814 139 A HN 0.305 nan 8.150 nan 0.000 0.446 140 L N -0.562 120.593 121.223 -0.114 0.000 2.056 140 L HA -0.095 4.245 4.340 0.000 0.000 0.207 140 L C 2.616 179.413 176.870 -0.121 0.000 1.078 140 L CA 1.354 56.151 54.840 -0.071 0.000 0.749 140 L CB -0.878 41.197 42.059 0.026 0.000 0.901 140 L HN 0.209 nan 8.230 nan 0.000 0.433 141 V N -0.806 118.958 119.914 -0.249 0.000 2.343 141 V HA -0.286 3.834 4.120 0.000 0.000 0.247 141 V C 2.693 178.667 176.094 -0.200 0.000 1.051 141 V CA 1.626 63.776 62.300 -0.250 0.000 1.036 141 V CB -0.559 31.010 31.823 -0.423 0.000 0.654 141 V HN 0.374 nan 8.190 nan 0.000 0.451 142 R N -0.177 120.110 120.500 -0.356 0.000 2.148 142 R HA -0.061 4.279 4.340 0.000 0.000 0.227 142 R C 2.139 178.346 176.300 -0.156 0.000 1.103 142 R CA 1.389 57.237 56.100 -0.421 0.000 0.983 142 R CB -0.335 29.676 30.300 -0.482 0.000 0.874 142 R HN 0.538 nan 8.270 nan 0.000 0.451 143 A N -0.724 122.028 122.820 -0.115 0.000 2.030 143 A HA 0.093 4.413 4.320 0.000 0.000 0.215 143 A C 1.727 179.294 177.584 -0.029 0.000 1.164 143 A CA 0.647 52.648 52.037 -0.059 0.000 0.697 143 A CB 0.150 19.119 19.000 -0.053 0.000 0.827 143 A HN 0.278 nan 8.150 nan 0.000 0.457 144 L N -1.584 119.623 121.223 -0.027 0.000 2.577 144 L HA 0.331 4.671 4.340 0.000 0.000 0.225 144 L C 1.250 178.125 176.870 0.009 0.000 1.053 144 L CA 0.272 55.109 54.840 -0.005 0.000 0.866 144 L CB 0.013 42.072 42.059 0.000 0.000 1.132 144 L HN 0.244 nan 8.230 nan 0.000 0.486 145 A N 1.395 124.224 122.820 0.015 0.000 2.409 145 A HA 0.493 4.813 4.320 0.000 0.000 0.262 145 A C -0.213 177.394 177.584 0.039 0.000 1.113 145 A CA -0.168 51.887 52.037 0.030 0.000 0.790 145 A CB 0.119 19.142 19.000 0.038 0.000 1.046 145 A HN 0.080 nan 8.150 nan 0.000 0.496 146 V N 0.300 120.227 119.914 0.021 0.000 2.864 146 V HA 0.716 4.836 4.120 0.000 0.000 0.314 146 V C -2.897 173.197 176.094 -0.000 0.000 1.073 146 V CA -2.809 59.498 62.300 0.013 0.000 0.956 146 V CB 1.278 33.108 31.823 0.010 0.000 1.023 146 V HN 0.666 nan 8.190 nan 0.000 0.435 147 P HA 0.266 nan 4.420 nan 0.000 0.262 147 P C -0.515 176.780 177.300 -0.009 0.000 1.182 147 P CA 0.630 63.721 63.100 -0.015 0.000 0.761 147 P CB 0.210 31.900 31.700 -0.017 0.000 0.795 148 M N 0.694 120.287 119.600 -0.011 0.000 2.744 148 M HA 0.321 4.801 4.480 0.000 0.000 0.283 148 M C 0.079 176.371 176.300 -0.013 0.000 1.275 148 M CA -0.951 54.345 55.300 -0.007 0.000 0.796 148 M CB 2.052 34.653 32.600 0.000 0.000 1.739 148 M HN 0.206 nan 8.290 nan 0.000 0.454 149 E N 1.232 121.427 120.200 -0.008 0.000 2.331 149 E HA 0.192 4.542 4.350 0.000 0.000 0.272 149 E C -0.708 175.884 176.600 -0.013 0.000 1.036 149 E CA -0.528 55.864 56.400 -0.013 0.000 0.864 149 E CB 0.931 30.629 29.700 -0.004 0.000 1.035 149 E HN 0.294 nan 8.360 nan 0.000 0.408 150 R N 1.667 122.142 120.500 -0.042 0.000 2.643 150 R HA 0.065 4.405 4.340 0.000 0.000 0.270 150 R C -0.037 176.285 176.300 0.036 0.000 1.061 150 R CA -0.064 56.001 56.100 -0.059 0.000 1.107 150 R CB 0.334 30.478 30.300 -0.261 0.000 0.999 150 R HN 0.677 nan 8.270 nan 0.000 0.460 151 T N 0.096 114.728 114.554 0.130 0.000 2.932 151 T HA 0.057 4.407 4.350 0.000 0.000 0.312 151 T C -1.304 173.525 174.700 0.215 0.000 1.071 151 T CA -1.255 60.937 62.100 0.153 0.000 1.128 151 T CB 0.596 69.550 68.868 0.144 0.000 0.984 151 T HN 0.354 nan 8.240 nan 0.000 0.549 152 P HA -0.067 nan 4.420 nan 0.000 0.215 152 P C 0.411 177.776 177.300 0.108 0.000 1.153 152 P CA 1.134 64.299 63.100 0.108 0.000 0.853 152 P CB 0.149 31.884 31.700 0.058 0.000 0.788 153 E N 0.171 120.405 120.200 0.057 0.000 2.343 153 E HA 0.186 4.536 4.350 0.000 0.000 0.269 153 E C -0.110 176.389 176.600 -0.168 0.000 1.047 153 E CA -0.752 55.635 56.400 -0.022 0.000 0.874 153 E CB 1.165 30.852 29.700 -0.022 0.000 1.033 153 E HN -0.133 nan 8.360 nan 0.000 0.409 154 V N 3.178 122.908 119.914 -0.306 0.000 2.450 154 V HA 0.052 4.172 4.120 0.000 0.000 0.281 154 V C 0.676 176.595 176.094 -0.291 0.000 1.019 154 V CA 0.403 62.344 62.300 -0.599 0.000 1.062 154 V CB -0.302 31.339 31.823 -0.304 0.000 0.979 154 V HN 0.755 nan 8.190 nan 0.000 0.477 155 T N 2.113 116.503 114.554 -0.274 0.000 2.901 155 T HA 0.773 5.123 4.350 0.000 0.000 0.293 155 T C -0.437 174.177 174.700 -0.144 0.000 1.084 155 T CA -0.689 61.349 62.100 -0.104 0.000 1.008 155 T CB 1.885 70.732 68.868 -0.035 0.000 1.170 155 T HN 0.948 nan 8.240 nan 0.000 0.509 156 C N 0.496 119.632 119.300 -0.274 0.000 3.080 156 C HA 0.809 5.269 4.460 0.000 0.000 0.307 156 C C -0.635 174.185 174.990 -0.283 0.000 1.311 156 C CA -1.137 57.553 59.018 -0.546 0.000 1.533 156 C CB 0.269 27.253 27.740 -1.259 0.000 1.970 156 C HN 1.062 nan 8.230 nan 0.000 0.467 157 N N 0.274 118.828 118.700 -0.242 0.000 2.487 157 N HA 0.665 5.405 4.740 0.000 0.000 0.292 157 N C -1.130 174.326 175.510 -0.090 0.000 1.108 157 N CA -0.543 52.446 53.050 -0.102 0.000 0.956 157 N CB 1.138 39.612 38.487 -0.020 0.000 1.176 157 N HN 0.584 nan 8.380 nan 0.000 0.484 158 L N 2.369 123.567 121.223 -0.041 0.000 2.275 158 L HA 0.465 4.805 4.340 0.000 0.000 0.288 158 L C -1.004 175.875 176.870 0.016 0.000 1.046 158 L CA -0.759 54.066 54.840 -0.026 0.000 0.805 158 L CB 0.620 42.654 42.059 -0.042 0.000 1.193 158 L HN 0.259 nan 8.230 nan 0.000 0.426 159 L N 2.432 123.677 121.223 0.037 0.000 2.365 159 L HA 0.714 5.054 4.340 0.000 0.000 0.273 159 L C 0.651 177.561 176.870 0.067 0.000 1.000 159 L CA 0.147 55.058 54.840 0.118 0.000 0.819 159 L CB 1.533 43.718 42.059 0.210 0.000 1.284 159 L HN 0.778 nan 8.230 nan 0.000 0.418 160 G N 2.246 111.042 108.800 -0.006 0.000 2.218 160 G HA2 -0.110 3.850 3.960 0.000 0.000 0.216 160 G HA3 -0.110 3.850 3.960 0.000 0.000 0.216 160 G C 0.370 175.338 174.900 0.113 0.000 0.994 160 G CA -0.060 45.083 45.100 0.073 0.000 0.637 160 G HN 0.979 nan 8.290 nan 0.000 0.505 161 A N 0.997 123.847 122.820 0.050 0.000 2.450 161 A HA 0.709 5.029 4.320 0.000 0.000 0.255 161 A C 0.809 178.460 177.584 0.112 0.000 1.096 161 A CA 1.525 53.613 52.037 0.084 0.000 0.778 161 A CB 0.183 19.223 19.000 0.067 0.000 1.031 161 A HN 1.822 nan 8.150 nan 0.000 0.494 162 T N -0.793 113.973 114.554 0.353 0.000 2.831 162 T HA 0.784 5.134 4.350 0.000 0.000 0.287 162 T C 0.111 174.881 174.700 0.118 0.000 1.070 162 T CA -0.180 61.997 62.100 0.128 0.000 1.010 162 T CB 1.159 70.071 68.868 0.074 0.000 1.264 162 T HN 1.618 nan 8.240 nan 0.000 0.532 163 A N 0.911 123.791 122.820 0.100 0.000 2.386 163 A HA 0.584 4.904 4.320 0.000 0.000 0.248 163 A C 1.175 178.855 177.584 0.160 0.000 1.082 163 A CA -0.557 51.582 52.037 0.169 0.000 0.789 163 A CB -0.786 18.351 19.000 0.227 0.000 1.025 163 A HN 1.536 nan 8.150 nan 0.000 0.490 164 L N -0.581 120.708 121.223 0.110 0.000 3.737 164 L HA -0.215 4.125 4.340 0.000 0.000 0.418 164 L C 0.847 177.762 176.870 0.075 0.000 1.216 164 L CA 0.369 55.215 54.840 0.010 0.000 0.915 164 L CB -1.449 40.476 42.059 -0.224 0.000 1.834 164 L HN 1.043 nan 8.230 nan 0.000 0.943 165 G N -0.418 108.302 108.800 -0.135 0.000 2.371 165 G HA2 0.395 4.355 3.960 0.000 0.000 0.326 165 G HA3 0.395 4.355 3.960 0.000 0.000 0.326 165 G C -0.760 173.787 174.900 -0.588 0.000 1.127 165 G CA -0.502 44.040 45.100 -0.931 0.000 0.885 165 G HN 0.135 nan 8.290 nan 0.000 0.477 166 F N 3.992 123.607 119.950 -0.559 0.000 2.502 166 F HA 0.241 4.768 4.527 0.000 0.000 0.361 166 F C 1.287 176.980 175.800 -0.179 0.000 1.157 166 F CA -0.661 57.090 58.000 -0.416 0.000 1.096 166 F CB 0.180 38.984 39.000 -0.327 0.000 1.141 166 F HN 0.536 nan 8.300 nan 0.000 0.579 167 R N 3.298 123.344 120.500 -0.757 0.000 3.770 167 R HA -0.290 4.050 4.340 0.000 0.000 0.305 167 R C 0.842 177.099 176.300 -0.071 0.000 1.184 167 R CA 1.173 56.965 56.100 -0.513 0.000 0.823 167 R CB -2.962 26.907 30.300 -0.719 0.000 1.285 167 R HN 0.763 nan 8.270 nan 0.000 0.499 168 H N 0.552 119.528 119.070 -0.157 0.000 2.321 168 H HA -0.001 4.555 4.556 0.000 0.000 0.300 168 H C 2.167 177.510 175.328 0.025 0.000 1.087 168 H CA 1.926 57.978 56.048 0.007 0.000 1.319 168 H CB -0.057 29.685 29.762 -0.033 0.000 1.379 168 H HN 0.399 nan 8.280 nan 0.000 0.501 169 R N 0.602 121.178 120.500 0.127 0.000 2.112 169 R HA -0.166 4.174 4.340 0.000 0.000 0.242 169 R C 1.062 177.393 176.300 0.052 0.000 1.137 169 R CA 2.287 58.439 56.100 0.086 0.000 0.944 169 R CB -0.056 30.292 30.300 0.081 0.000 0.857 169 R HN 0.313 nan 8.270 nan 0.000 0.435 170 D N -0.109 120.274 120.400 -0.028 0.000 2.249 170 D HA -0.062 4.578 4.640 0.000 0.000 0.205 170 D C 1.395 177.630 176.300 -0.109 0.000 0.962 170 D CA 0.688 54.626 54.000 -0.102 0.000 0.860 170 D CB -0.249 40.309 40.800 -0.403 0.000 0.955 170 D HN 0.251 nan 8.370 nan 0.000 0.505 171 D N 0.494 120.846 120.400 -0.081 0.000 2.117 171 D HA -0.109 4.531 4.640 0.000 0.000 0.197 171 D C 2.292 178.558 176.300 -0.057 0.000 0.987 171 D CA 0.457 54.416 54.000 -0.069 0.000 0.829 171 D CB -0.244 40.563 40.800 0.012 0.000 0.961 171 D HN 0.016 nan 8.370 nan 0.000 0.460 172 V N 1.325 121.235 119.914 -0.007 0.000 2.287 172 V HA -0.291 3.829 4.120 0.000 0.000 0.248 172 V C 2.499 178.601 176.094 0.013 0.000 1.053 172 V CA 2.028 64.325 62.300 -0.004 0.000 1.027 172 V CB -0.843 30.997 31.823 0.028 0.000 0.646 172 V HN 0.218 nan 8.190 nan 0.000 0.447 173 A N -0.461 122.394 122.820 0.059 0.000 1.902 173 A HA -0.259 4.061 4.320 0.000 0.000 0.217 173 A C 2.189 179.834 177.584 0.103 0.000 1.181 173 A CA 2.138 54.237 52.037 0.104 0.000 0.623 173 A CB -0.484 18.646 19.000 0.217 0.000 0.818 173 A HN 0.570 nan 8.150 nan 0.000 0.443 174 E N -0.319 119.937 120.200 0.094 0.000 2.072 174 E HA -0.076 4.274 4.350 0.000 0.000 0.190 174 E C 1.833 178.417 176.600 -0.026 0.000 0.982 174 E CA 1.296 57.732 56.400 0.060 0.000 0.803 174 E CB -0.312 29.392 29.700 0.008 0.000 0.755 174 E HN 0.213 nan 8.360 nan 0.000 0.453 175 V N 0.431 120.301 119.914 -0.073 0.000 2.407 175 V HA -0.267 3.853 4.120 0.000 0.000 0.248 175 V C 2.214 178.303 176.094 -0.007 0.000 1.055 175 V CA 2.158 64.402 62.300 -0.093 0.000 1.049 175 V CB -0.787 30.933 31.823 -0.170 0.000 0.662 175 V HN 0.369 nan 8.190 nan 0.000 0.455 176 T N -0.532 114.022 114.554 -0.000 0.000 2.746 176 T HA -0.234 4.116 4.350 0.000 0.000 0.267 176 T C 1.965 176.679 174.700 0.022 0.000 1.039 176 T CA 1.605 63.714 62.100 0.015 0.000 1.142 176 T CB -0.199 68.676 68.868 0.013 0.000 0.866 176 T HN 0.450 nan 8.240 nan 0.000 0.444 177 K N 0.540 120.953 120.400 0.021 0.000 2.057 177 K HA 0.050 4.370 4.320 0.000 0.000 0.207 177 K C 2.239 178.852 176.600 0.023 0.000 1.049 177 K CA 0.947 57.247 56.287 0.023 0.000 0.931 177 K CB -0.334 32.183 32.500 0.030 0.000 0.714 177 K HN 0.254 nan 8.250 nan 0.000 0.440 178 L N 0.716 121.945 121.223 0.010 0.000 2.042 178 L HA -0.228 4.112 4.340 0.000 0.000 0.210 178 L C 2.205 179.111 176.870 0.060 0.000 1.076 178 L CA 1.210 56.056 54.840 0.012 0.000 0.749 178 L CB -0.299 41.762 42.059 0.003 0.000 0.893 178 L HN 0.198 nan 8.230 nan 0.000 0.432 179 L N -1.103 120.169 121.223 0.082 0.000 2.095 179 L HA -0.094 4.246 4.340 0.000 0.000 0.204 179 L C 2.810 179.709 176.870 0.049 0.000 1.080 179 L CA 0.903 55.795 54.840 0.086 0.000 0.759 179 L CB -0.666 41.455 42.059 0.105 0.000 0.914 179 L HN 0.183 nan 8.230 nan 0.000 0.439 180 A N -0.320 122.521 122.820 0.035 0.000 1.933 180 A HA -0.199 4.121 4.320 0.000 0.000 0.218 180 A C 2.358 179.955 177.584 0.022 0.000 1.175 180 A CA 2.304 54.354 52.037 0.022 0.000 0.628 180 A CB -0.909 18.101 19.000 0.016 0.000 0.814 180 A HN 0.376 nan 8.150 nan 0.000 0.444 181 T N -0.100 114.472 114.554 0.029 0.000 2.788 181 T HA -0.106 4.244 4.350 0.000 0.000 0.268 181 T C 1.731 176.447 174.700 0.026 0.000 1.044 181 T CA 1.637 63.756 62.100 0.033 0.000 1.139 181 T CB -0.267 68.631 68.868 0.050 0.000 0.867 181 T HN 0.442 nan 8.240 nan 0.000 0.454 182 M N 0.212 119.826 119.600 0.023 0.000 2.619 182 M HA 0.176 4.656 4.480 0.000 0.000 0.251 182 M C 1.554 177.856 176.300 0.004 0.000 1.106 182 M CA 0.449 55.755 55.300 0.009 0.000 1.086 182 M CB 0.180 32.779 32.600 -0.002 0.000 1.465 182 M HN 0.482 nan 8.290 nan 0.000 0.506 183 G N 1.848 110.653 108.800 0.009 0.000 2.132 183 G HA2 -0.221 3.739 3.960 0.000 0.000 0.228 183 G HA3 -0.221 3.739 3.960 0.000 0.000 0.228 183 G C -0.135 174.764 174.900 -0.001 0.000 1.000 183 G CA -0.391 44.709 45.100 0.001 0.000 0.693 183 G HN 0.462 nan 8.290 nan 0.000 0.515 184 I N 0.641 121.220 120.570 0.015 0.000 2.355 184 I HA 0.396 4.566 4.170 0.000 0.000 0.288 184 I C 0.414 176.537 176.117 0.009 0.000 0.999 184 I CA -0.717 60.597 61.300 0.023 0.000 1.163 184 I CB 1.515 39.572 38.000 0.095 0.000 1.316 184 I HN -0.050 nan 8.210 nan 0.000 0.454 185 K N 4.446 124.837 120.400 -0.016 0.000 2.095 185 K HA 0.590 4.910 4.320 0.000 0.000 0.252 185 K C -0.795 175.782 176.600 -0.038 0.000 0.977 185 K CA -0.802 55.474 56.287 -0.019 0.000 0.900 185 K CB 2.120 34.609 32.500 -0.018 0.000 1.060 185 K HN 0.252 nan 8.250 nan 0.000 0.449 186 V N 2.895 122.790 119.914 -0.032 0.000 2.461 186 V HA -0.025 4.095 4.120 0.000 0.000 0.275 186 V C 1.088 177.162 176.094 -0.033 0.000 1.047 186 V CA -0.203 62.069 62.300 -0.046 0.000 0.955 186 V CB 1.005 32.809 31.823 -0.032 0.000 0.988 186 V HN 0.781 nan 8.190 nan 0.000 0.471 187 N N 4.666 123.341 118.700 -0.041 0.000 2.085 187 N HA -0.033 4.707 4.740 0.000 0.000 0.191 187 N C 0.091 175.598 175.510 -0.006 0.000 1.058 187 N CA 1.206 54.246 53.050 -0.016 0.000 0.849 187 N CB 0.207 38.688 38.487 -0.012 0.000 1.038 187 N HN 0.447 nan 8.380 nan 0.000 0.434 188 V N -0.086 119.825 119.914 -0.005 0.000 2.638 188 V HA 0.302 4.422 4.120 0.000 0.000 0.306 188 V C -0.942 175.158 176.094 0.010 0.000 1.052 188 V CA -1.086 61.221 62.300 0.011 0.000 0.885 188 V CB 1.366 33.209 31.823 0.032 0.000 0.999 188 V HN 0.426 nan 8.190 nan 0.000 0.424 189 C N 5.678 124.982 119.300 0.007 0.000 2.285 189 C HA 0.903 5.363 4.460 0.000 0.000 0.335 189 C C 0.400 175.388 174.990 -0.003 0.000 1.267 189 C CA 0.078 59.095 59.018 -0.001 0.000 1.762 189 C CB -0.675 27.061 27.740 -0.006 0.000 2.365 189 C HN 1.114 nan 8.230 nan 0.000 0.527 190 A N 6.939 129.748 122.820 -0.018 0.000 2.549 190 A HA 0.781 5.101 4.320 0.000 0.000 0.297 190 A C -2.415 174.907 177.584 -0.438 0.000 1.061 190 A CA -0.984 50.997 52.037 -0.092 0.000 0.690 190 A CB 1.367 20.458 19.000 0.152 0.000 1.287 190 A HN 0.502 nan 8.150 nan 0.000 0.402 191 P HA -0.011 nan 4.420 nan 0.000 0.219 191 P C 0.530 177.729 177.300 -0.168 0.000 1.150 191 P CA 0.333 63.169 63.100 -0.439 0.000 0.814 191 P CB 0.035 31.441 31.700 -0.490 0.000 0.787 192 L N 0.440 121.591 121.223 -0.120 0.000 2.562 192 L HA 0.307 4.647 4.340 0.000 0.000 0.271 192 L C 1.353 178.213 176.870 -0.017 0.000 1.167 192 L CA 1.211 56.031 54.840 -0.033 0.000 0.917 192 L CB -1.175 40.900 42.059 0.027 0.000 1.187 192 L HN 0.386 nan 8.230 nan 0.000 0.482 193 G N 2.975 111.768 108.800 -0.012 0.000 2.199 193 G HA2 -0.197 3.763 3.960 0.000 0.000 0.254 193 G HA3 -0.197 3.763 3.960 0.000 0.000 0.254 193 G C 0.394 175.292 174.900 -0.003 0.000 0.982 193 G CA 0.154 45.252 45.100 -0.003 0.000 0.632 193 G HN 1.190 nan 8.290 nan 0.000 0.529 194 A N 0.203 123.019 122.820 -0.007 0.000 2.316 194 A HA 0.835 5.155 4.320 0.000 0.000 0.284 194 A C 0.713 178.303 177.584 0.011 0.000 1.115 194 A CA 0.906 52.949 52.037 0.011 0.000 0.812 194 A CB 0.852 19.870 19.000 0.030 0.000 1.064 194 A HN 1.911 nan 8.150 nan 0.000 0.489 195 S N 1.467 117.177 115.700 0.018 0.000 2.681 195 S HA 0.610 5.080 4.470 0.000 0.000 0.299 195 S C -2.231 172.386 174.600 0.028 0.000 1.113 195 S CA -1.298 56.911 58.200 0.016 0.000 1.013 195 S CB 1.363 64.570 63.200 0.012 0.000 1.076 195 S HN 0.331 nan 8.310 nan 0.000 0.534 196 P HA -0.095 nan 4.420 nan 0.000 0.216 196 P C 0.524 177.841 177.300 0.029 0.000 1.150 196 P CA 1.327 64.445 63.100 0.029 0.000 0.843 196 P CB -0.077 31.636 31.700 0.022 0.000 0.787 197 D N -0.930 119.485 120.400 0.024 0.000 2.144 197 D HA -0.146 4.494 4.640 0.000 0.000 0.199 197 D C 1.539 177.854 176.300 0.026 0.000 0.984 197 D CA 1.031 55.045 54.000 0.022 0.000 0.834 197 D CB -0.778 40.034 40.800 0.019 0.000 0.955 197 D HN 0.167 nan 8.370 nan 0.000 0.465 198 D N -0.134 120.283 120.400 0.029 0.000 2.144 198 D HA -0.113 4.527 4.640 0.000 0.000 0.199 198 D C 2.010 178.337 176.300 0.044 0.000 0.984 198 D CA 0.398 54.419 54.000 0.034 0.000 0.834 198 D CB -0.115 40.706 40.800 0.035 0.000 0.955 198 D HN 0.148 nan 8.370 nan 0.000 0.465 199 L N 0.791 122.047 121.223 0.054 0.000 2.201 199 L HA -0.064 4.276 4.340 0.000 0.000 0.212 199 L C 2.316 179.207 176.870 0.036 0.000 1.105 199 L CA 1.177 56.053 54.840 0.061 0.000 0.775 199 L CB -0.468 41.633 42.059 0.070 0.000 0.913 199 L HN -0.038 nan 8.230 nan 0.000 0.440 200 R N 0.308 120.825 120.500 0.028 0.000 2.115 200 R HA -0.105 4.235 4.340 0.000 0.000 0.230 200 R C 1.226 177.538 176.300 0.020 0.000 1.111 200 R CA 1.102 57.214 56.100 0.021 0.000 0.976 200 R CB -0.213 30.098 30.300 0.018 0.000 0.870 200 R HN 0.425 nan 8.270 nan 0.000 0.445 201 K N 0.759 121.173 120.400 0.023 0.000 2.675 201 K HA 0.144 4.464 4.320 0.000 0.000 0.213 201 K C 1.023 177.638 176.600 0.024 0.000 1.074 201 K CA -0.005 56.295 56.287 0.022 0.000 1.172 201 K CB 0.250 32.763 32.500 0.021 0.000 0.927 201 K HN 0.085 nan 8.250 nan 0.000 0.471 202 L N 0.546 121.784 121.223 0.026 0.000 2.156 202 L HA -0.027 4.313 4.340 0.000 0.000 0.208 202 L C 2.446 179.327 176.870 0.020 0.000 1.095 202 L CA 1.320 56.177 54.840 0.027 0.000 0.770 202 L CB -0.399 41.679 42.059 0.031 0.000 0.914 202 L HN 0.609 nan 8.230 nan 0.000 0.439 203 G N 0.119 108.927 108.800 0.014 0.000 2.432 203 G HA2 -0.278 3.682 3.960 0.000 0.000 0.219 203 G HA3 -0.278 3.682 3.960 0.000 0.000 0.219 203 G C 1.422 176.329 174.900 0.011 0.000 1.135 203 G CA 0.707 45.811 45.100 0.006 0.000 0.767 203 G HN 0.613 nan 8.290 nan 0.000 0.550 204 Q N 0.120 119.932 119.800 0.021 0.000 2.436 204 Q HA 0.364 4.704 4.340 0.000 0.000 0.209 204 Q C 1.272 177.316 176.000 0.074 0.000 0.965 204 Q CA 0.520 56.342 55.803 0.033 0.000 0.910 204 Q CB -0.244 28.515 28.738 0.035 0.000 0.980 204 Q HN 0.330 nan 8.270 nan 0.000 0.491 205 A N 1.191 124.051 122.820 0.067 0.000 2.440 205 A HA 0.084 4.405 4.320 0.000 0.000 0.251 205 A C 0.225 177.906 177.584 0.162 0.000 1.089 205 A CA -0.346 51.751 52.037 0.099 0.000 0.779 205 A CB 0.081 19.083 19.000 0.004 0.000 1.022 205 A HN 0.408 nan 8.150 nan 0.000 0.492 206 H N 1.296 120.404 119.070 0.063 0.000 2.353 206 H HA -0.026 4.530 4.556 0.000 0.000 0.300 206 H C 0.348 175.832 175.328 0.260 0.000 1.090 206 H CA 2.159 58.303 56.048 0.160 0.000 1.327 206 H CB 0.052 29.956 29.762 0.236 0.000 1.383 206 H HN 0.773 nan 8.280 nan 0.000 0.508 207 F N -1.206 118.840 119.950 0.159 0.000 2.754 207 F HA 0.510 5.037 4.527 0.000 0.000 0.320 207 F C -1.407 174.462 175.800 0.114 0.000 1.156 207 F CA -1.466 56.601 58.000 0.112 0.000 0.950 207 F CB 1.335 40.385 39.000 0.084 0.000 1.388 207 F HN -0.325 nan 8.300 nan 0.000 0.485 208 N N 0.685 119.482 118.700 0.162 0.000 2.321 208 N HA 0.480 5.220 4.740 0.000 0.000 0.299 208 N C -1.597 174.034 175.510 0.201 0.000 1.048 208 N CA -0.544 52.544 53.050 0.063 0.000 0.836 208 N CB 2.657 41.239 38.487 0.158 0.000 1.269 208 N HN 0.518 nan 8.380 nan 0.000 0.486 209 V N 2.824 122.782 119.914 0.074 0.000 2.334 209 V HA 0.222 4.342 4.120 0.000 0.000 0.267 209 V C 0.569 176.748 176.094 0.141 0.000 1.040 209 V CA -0.636 61.792 62.300 0.214 0.000 0.866 209 V CB 0.953 32.897 31.823 0.202 0.000 1.019 209 V HN 0.477 nan 8.190 nan 0.000 0.468 210 L N 6.319 127.668 121.223 0.210 0.000 2.454 210 L HA 0.235 4.575 4.340 0.000 0.000 0.284 210 L C 1.187 178.038 176.870 -0.032 0.000 1.139 210 L CA 0.122 55.040 54.840 0.130 0.000 0.911 210 L CB 0.809 43.030 42.059 0.271 0.000 1.262 210 L HN 0.762 nan 8.230 nan 0.000 0.453 211 M N 4.156 123.642 119.600 -0.190 0.000 2.156 211 M HA -0.073 4.408 4.480 0.000 0.000 0.264 211 M C -0.473 175.334 176.300 -0.821 0.000 1.067 211 M CA 1.652 56.600 55.300 -0.587 0.000 1.131 211 M CB 0.150 32.318 32.600 -0.720 0.000 1.368 211 M HN 0.413 nan 8.290 nan 0.000 0.416 212 Y N -1.748 118.519 120.300 -0.054 0.000 2.373 212 Y HA 0.278 4.828 4.550 0.000 0.000 0.327 212 Y C -2.051 173.874 175.900 0.042 0.000 1.036 212 Y CA -2.119 55.974 58.100 -0.013 0.000 1.265 212 Y CB 0.507 38.965 38.460 -0.003 0.000 1.108 212 Y HN -0.043 nan 8.280 nan 0.000 0.471 213 P HA -0.233 nan 4.420 nan 0.000 0.216 213 P C 1.243 178.633 177.300 0.149 0.000 1.150 213 P CA 1.795 64.979 63.100 0.140 0.000 0.843 213 P CB 0.415 32.186 31.700 0.117 0.000 0.787 214 E N -0.785 119.517 120.200 0.171 0.000 2.268 214 E HA -0.110 4.240 4.350 0.000 0.000 0.195 214 E C 1.153 177.848 176.600 0.158 0.000 0.995 214 E CA 1.814 58.306 56.400 0.154 0.000 0.836 214 E CB -1.397 28.389 29.700 0.142 0.000 0.763 214 E HN 0.367 nan 8.360 nan 0.000 0.491 215 T N -3.791 110.874 114.554 0.185 0.000 3.040 215 T HA 0.448 4.798 4.350 0.000 0.000 0.266 215 T C 1.311 176.135 174.700 0.207 0.000 1.005 215 T CA 0.127 62.328 62.100 0.168 0.000 0.906 215 T CB 0.780 69.741 68.868 0.155 0.000 1.082 215 T HN 0.219 nan 8.240 nan 0.000 0.531 216 G N 0.828 109.753 108.800 0.209 0.000 3.738 216 G HA2 0.202 4.162 3.960 0.000 0.000 0.241 216 G HA3 0.202 4.162 3.960 0.000 0.000 0.241 216 G C 0.924 175.882 174.900 0.097 0.000 1.068 216 G CA 0.155 45.409 45.100 0.256 0.000 0.899 216 G HN 0.358 nan 8.290 nan 0.000 0.519 217 E N 1.292 121.524 120.200 0.052 0.000 2.118 217 E HA -0.096 4.255 4.350 0.000 0.000 0.195 217 E C 2.372 178.905 176.600 -0.113 0.000 0.992 217 E CA 1.975 58.349 56.400 -0.043 0.000 0.804 217 E CB -0.139 29.590 29.700 0.048 0.000 0.741 217 E HN 0.248 nan 8.360 nan 0.000 0.458 218 S N -0.368 115.307 115.700 -0.043 0.000 2.371 218 S HA -0.023 4.447 4.470 0.000 0.000 0.224 218 S C 1.969 176.497 174.600 -0.120 0.000 1.029 218 S CA 0.833 58.997 58.200 -0.060 0.000 0.978 218 S CB -0.311 62.867 63.200 -0.035 0.000 0.833 218 S HN 0.509 nan 8.310 nan 0.000 0.466 219 A N 1.325 124.040 122.820 -0.176 0.000 2.015 219 A HA 0.197 4.517 4.320 0.000 0.000 0.219 219 A C 2.249 179.704 177.584 -0.216 0.000 1.163 219 A CA 1.507 53.371 52.037 -0.289 0.000 0.646 219 A CB -0.793 17.786 19.000 -0.701 0.000 0.806 219 A HN 0.489 nan 8.150 nan 0.000 0.448 220 A N -0.130 122.517 122.820 -0.288 0.000 1.898 220 A HA -0.103 4.217 4.320 0.000 0.000 0.216 220 A C 2.247 179.497 177.584 -0.558 0.000 1.181 220 A CA 1.314 53.038 52.037 -0.522 0.000 0.620 220 A CB -0.381 18.029 19.000 -0.983 0.000 0.819 220 A HN 0.522 nan 8.150 nan 0.000 0.442 221 R N -1.772 118.470 120.500 -0.429 0.000 2.090 221 R HA -0.099 4.242 4.340 0.000 0.000 0.228 221 R C 2.214 178.502 176.300 -0.020 0.000 1.110 221 R CA 1.431 57.448 56.100 -0.139 0.000 0.973 221 R CB -0.454 29.822 30.300 -0.040 0.000 0.869 221 R HN 0.800 nan 8.270 nan 0.000 0.440 222 H N 1.042 120.042 119.070 -0.117 0.000 2.321 222 H HA -0.022 4.534 4.556 0.000 0.000 0.300 222 H C 1.827 177.117 175.328 -0.063 0.000 1.087 222 H CA 1.518 57.515 56.048 -0.085 0.000 1.319 222 H CB -0.167 29.523 29.762 -0.120 0.000 1.379 222 H HN 0.033 nan 8.280 nan 0.000 0.501 223 L N 0.167 121.309 121.223 -0.135 0.000 2.362 223 L HA -0.092 4.248 4.340 0.000 0.000 0.219 223 L C 2.486 179.314 176.870 -0.071 0.000 1.134 223 L CA 1.312 56.072 54.840 -0.134 0.000 0.807 223 L CB -0.292 41.737 42.059 -0.049 0.000 0.927 223 L HN 0.489 nan 8.230 nan 0.000 0.447 224 E N 0.219 120.413 120.200 -0.010 0.000 2.112 224 E HA -0.164 4.186 4.350 0.000 0.000 0.190 224 E C 2.301 178.901 176.600 -0.000 0.000 0.979 224 E CA 0.630 57.074 56.400 0.073 0.000 0.814 224 E CB 0.247 30.080 29.700 0.220 0.000 0.762 224 E HN 0.390 nan 8.360 nan 0.000 0.460 225 R N -0.032 120.431 120.500 -0.061 0.000 2.055 225 R HA -0.001 4.339 4.340 0.000 0.000 0.228 225 R C 2.382 178.596 176.300 -0.144 0.000 1.143 225 R CA 1.227 57.276 56.100 -0.086 0.000 0.945 225 R CB -0.231 30.019 30.300 -0.083 0.000 0.841 225 R HN 0.106 nan 8.270 nan 0.000 0.429 226 A N -0.100 122.544 122.820 -0.294 0.000 1.897 226 A HA -0.112 4.208 4.320 0.000 0.000 0.215 226 A C 1.768 179.263 177.584 -0.149 0.000 1.181 226 A CA 1.151 53.020 52.037 -0.281 0.000 0.620 226 A CB -0.151 18.526 19.000 -0.539 0.000 0.821 226 A HN 0.471 nan 8.150 nan 0.000 0.443 227 C N -0.982 118.243 119.300 -0.125 0.000 3.125 227 C HA 0.338 4.798 4.460 0.000 0.000 0.284 227 C C 0.414 175.389 174.990 -0.026 0.000 1.386 227 C CA -0.460 58.522 59.018 -0.060 0.000 1.763 227 C CB -0.401 27.313 27.740 -0.043 0.000 2.377 227 C HN 0.568 nan 8.230 nan 0.000 0.620 228 K N 0.512 120.897 120.400 -0.025 0.000 3.048 228 K HA -0.232 4.088 4.320 0.000 0.000 0.274 228 K C -0.268 176.355 176.600 0.038 0.000 1.098 228 K CA 1.003 57.291 56.287 0.002 0.000 0.807 228 K CB -1.816 30.678 32.500 -0.010 0.000 1.217 228 K HN 0.708 nan 8.250 nan 0.000 0.477 229 Q N 0.841 120.679 119.800 0.064 0.000 2.296 229 Q HA 0.268 4.608 4.340 0.000 0.000 0.257 229 Q C -2.297 173.820 176.000 0.195 0.000 0.942 229 Q CA -1.897 53.984 55.803 0.129 0.000 0.939 229 Q CB 1.011 29.825 28.738 0.126 0.000 1.198 229 Q HN -0.026 nan 8.270 nan 0.000 0.429 230 P HA 0.050 nan 4.420 nan 0.000 0.272 230 P C -1.186 176.306 177.300 0.319 0.000 1.223 230 P CA -0.179 63.024 63.100 0.172 0.000 0.784 230 P CB 0.393 32.125 31.700 0.053 0.000 0.923 231 F N -1.728 118.297 119.950 0.125 0.000 2.546 231 F HA 0.651 5.178 4.527 0.000 0.000 0.320 231 F C 0.047 175.930 175.800 0.139 0.000 1.076 231 F CA -1.178 56.918 58.000 0.160 0.000 0.928 231 F CB 0.561 39.633 39.000 0.119 0.000 1.189 231 F HN 0.193 nan 8.300 nan 0.000 0.465 232 T N 0.140 114.853 114.554 0.266 0.000 2.916 232 T HA 0.236 4.586 4.350 0.000 0.000 0.303 232 T C 0.448 175.229 174.700 0.135 0.000 1.025 232 T CA -0.777 61.421 62.100 0.163 0.000 1.142 232 T CB 1.051 70.124 68.868 0.342 0.000 0.947 232 T HN 0.723 nan 8.240 nan 0.000 0.544 233 K N 1.680 122.097 120.400 0.028 0.000 2.354 233 K HA 0.305 4.626 4.320 0.000 0.000 0.194 233 K C 0.417 177.061 176.600 0.072 0.000 1.038 233 K CA 0.122 56.427 56.287 0.029 0.000 1.052 233 K CB 0.340 32.803 32.500 -0.061 0.000 0.861 233 K HN 0.667 nan 8.250 nan 0.000 0.535 234 I N 2.007 122.644 120.570 0.111 0.000 2.315 234 I HA 0.100 4.270 4.170 0.000 0.000 0.291 234 I C -0.219 175.952 176.117 0.089 0.000 1.006 234 I CA -0.845 60.522 61.300 0.112 0.000 1.265 234 I CB 1.692 39.777 38.000 0.141 0.000 1.387 234 I HN -0.362 nan 8.210 nan 0.000 0.475 235 V N 8.954 128.852 119.914 -0.026 0.000 2.385 235 V HA 0.192 4.312 4.120 0.000 0.000 0.269 235 V C -1.750 174.217 176.094 -0.212 0.000 1.043 235 V CA -1.383 60.813 62.300 -0.172 0.000 0.906 235 V CB 0.818 32.534 31.823 -0.179 0.000 0.995 235 V HN 0.611 nan 8.190 nan 0.000 0.467 236 P HA 0.228 nan 4.420 nan 0.000 0.231 236 P C -0.411 176.744 177.300 -0.242 0.000 1.756 236 P CA 0.307 63.194 63.100 -0.354 0.000 0.990 236 P CB -0.243 31.025 31.700 -0.721 0.000 1.973 237 I N 0.999 121.484 120.570 -0.143 0.000 2.355 237 I HA 0.618 4.788 4.170 0.000 0.000 0.288 237 I C 0.646 176.754 176.117 -0.016 0.000 0.999 237 I CA -0.077 61.178 61.300 -0.074 0.000 1.163 237 I CB 1.454 39.427 38.000 -0.044 0.000 1.316 237 I HN 0.268 nan 8.210 nan 0.000 0.454 238 G N 3.492 112.286 108.800 -0.010 0.000 2.617 238 G HA2 -0.086 3.874 3.960 0.000 0.000 0.686 238 G HA3 -0.086 3.874 3.960 0.000 0.000 0.686 238 G C 0.077 175.014 174.900 0.062 0.000 1.214 238 G CA -0.654 44.458 45.100 0.020 0.000 0.796 238 G HN 0.328 nan 8.290 nan 0.000 0.654 239 V N 1.773 121.744 119.914 0.095 0.000 2.261 239 V HA -0.022 4.098 4.120 0.000 0.000 0.246 239 V C 3.195 179.387 176.094 0.163 0.000 1.047 239 V CA 3.396 65.803 62.300 0.179 0.000 1.015 239 V CB -1.172 30.725 31.823 0.124 0.000 0.642 239 V HN 1.557 nan 8.190 nan 0.000 0.446 240 G N -0.494 108.369 108.800 0.106 0.000 2.418 240 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 240 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 240 G C 1.737 176.691 174.900 0.090 0.000 1.158 240 G CA 1.080 46.236 45.100 0.092 0.000 0.771 240 G HN 0.623 nan 8.290 nan 0.000 0.545 241 A N 0.093 122.959 122.820 0.077 0.000 1.969 241 A HA 0.048 4.368 4.320 0.000 0.000 0.218 241 A C 2.516 180.149 177.584 0.082 0.000 1.169 241 A CA 2.297 54.373 52.037 0.066 0.000 0.635 241 A CB -0.758 18.264 19.000 0.036 0.000 0.810 241 A HN 0.291 nan 8.150 nan 0.000 0.445 242 T N -0.086 114.505 114.554 0.061 0.000 2.708 242 T HA -0.142 4.208 4.350 0.000 0.000 0.266 242 T C 2.055 176.838 174.700 0.138 0.000 1.037 242 T CA 1.564 63.691 62.100 0.045 0.000 1.146 242 T CB -0.242 68.559 68.868 -0.111 0.000 0.865 242 T HN 0.530 nan 8.240 nan 0.000 0.435 243 R N 1.011 121.603 120.500 0.154 0.000 2.096 243 R HA -0.083 4.257 4.340 0.000 0.000 0.235 243 R C 2.147 178.502 176.300 0.092 0.000 1.127 243 R CA 1.484 57.670 56.100 0.143 0.000 0.968 243 R CB -0.333 30.055 30.300 0.146 0.000 0.861 243 R HN 0.363 nan 8.270 nan 0.000 0.440 244 D N 0.291 120.747 120.400 0.093 0.000 2.144 244 D HA -0.159 4.481 4.640 0.000 0.000 0.200 244 D C 1.526 177.869 176.300 0.072 0.000 0.978 244 D CA 0.888 54.927 54.000 0.065 0.000 0.833 244 D CB -0.268 40.571 40.800 0.064 0.000 0.961 244 D HN 0.110 nan 8.370 nan 0.000 0.470 245 F N 1.366 121.299 119.950 -0.029 0.000 2.102 245 F HA -0.108 4.419 4.527 0.000 0.000 0.298 245 F C 1.996 177.772 175.800 -0.041 0.000 1.105 245 F CA 1.153 59.129 58.000 -0.039 0.000 1.239 245 F CB -0.320 38.647 39.000 -0.054 0.000 0.991 245 F HN -0.123 nan 8.300 nan 0.000 0.474 246 L N 0.020 121.156 121.223 -0.144 0.000 2.093 246 L HA -0.158 4.183 4.340 0.000 0.000 0.208 246 L C 2.793 179.532 176.870 -0.219 0.000 1.085 246 L CA 1.112 55.807 54.840 -0.241 0.000 0.755 246 L CB -1.186 40.848 42.059 -0.040 0.000 0.904 246 L HN 0.285 nan 8.230 nan 0.000 0.435 247 A N -0.409 122.334 122.820 -0.129 0.000 1.929 247 A HA -0.219 4.101 4.320 0.000 0.000 0.216 247 A C 2.272 179.761 177.584 -0.160 0.000 1.176 247 A CA 1.508 53.478 52.037 -0.112 0.000 0.628 247 A CB -0.396 18.570 19.000 -0.056 0.000 0.816 247 A HN 0.453 nan 8.150 nan 0.000 0.444 248 E N -0.035 120.053 120.200 -0.188 0.000 2.051 248 E HA -0.143 4.207 4.350 0.000 0.000 0.192 248 E C 1.828 178.238 176.600 -0.317 0.000 0.991 248 E CA 1.563 57.837 56.400 -0.211 0.000 0.799 248 E CB -0.121 29.481 29.700 -0.164 0.000 0.748 248 E HN 0.300 nan 8.360 nan 0.000 0.449 249 V N 0.701 120.338 119.914 -0.461 0.000 2.490 249 V HA -0.226 3.894 4.120 0.000 0.000 0.250 249 V C 2.461 178.296 176.094 -0.431 0.000 1.061 249 V CA 1.798 63.762 62.300 -0.561 0.000 1.064 249 V CB -0.431 31.020 31.823 -0.621 0.000 0.670 249 V HN 0.292 nan 8.190 nan 0.000 0.461 250 S N -0.692 114.830 115.700 -0.297 0.000 2.382 250 S HA -0.239 4.231 4.470 0.000 0.000 0.228 250 S C 2.134 176.621 174.600 -0.188 0.000 1.027 250 S CA 1.869 59.946 58.200 -0.205 0.000 0.991 250 S CB -0.226 62.889 63.200 -0.142 0.000 0.823 250 S HN 0.623 nan 8.310 nan 0.000 0.469 251 K N 0.412 120.696 120.400 -0.194 0.000 2.103 251 K HA 0.040 4.360 4.320 0.000 0.000 0.204 251 K C 1.984 178.475 176.600 -0.182 0.000 1.052 251 K CA 1.197 57.389 56.287 -0.158 0.000 0.945 251 K CB -0.227 32.191 32.500 -0.137 0.000 0.722 251 K HN 0.451 nan 8.250 nan 0.000 0.443 252 I N 1.047 121.455 120.570 -0.270 0.000 2.252 252 I HA -0.225 3.945 4.170 0.000 0.000 0.245 252 I C 2.231 178.193 176.117 -0.258 0.000 1.102 252 I CA 1.753 62.868 61.300 -0.308 0.000 1.385 252 I CB -0.242 37.435 38.000 -0.539 0.000 1.064 252 I HN 0.336 nan 8.210 nan 0.000 0.414 253 T N -3.372 111.014 114.554 -0.281 0.000 2.990 253 T HA 0.345 4.695 4.350 0.000 0.000 0.249 253 T C 1.637 176.281 174.700 -0.094 0.000 1.039 253 T CA 0.518 62.518 62.100 -0.168 0.000 1.036 253 T CB 0.847 69.598 68.868 -0.194 0.000 0.994 253 T HN 0.463 nan 8.240 nan 0.000 0.489 254 G N 1.632 110.367 108.800 -0.108 0.000 2.225 254 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 254 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 254 G C 0.019 174.880 174.900 -0.066 0.000 0.988 254 G CA 0.175 45.232 45.100 -0.072 0.000 0.625 254 G HN 0.639 nan 8.290 nan 0.000 0.527 255 L N 3.141 124.319 121.223 -0.076 0.000 2.453 255 L HA 0.336 4.676 4.340 0.000 0.000 0.272 255 L C -1.201 175.630 176.870 -0.064 0.000 1.182 255 L CA -1.640 53.164 54.840 -0.061 0.000 0.858 255 L CB 0.429 42.452 42.059 -0.060 0.000 1.120 255 L HN 0.057 nan 8.230 nan 0.000 0.474 256 P HA 0.035 nan 4.420 nan 0.000 0.275 256 P C -0.553 176.725 177.300 -0.035 0.000 1.228 256 P CA -0.318 62.759 63.100 -0.038 0.000 0.786 256 P CB 1.273 32.958 31.700 -0.024 0.000 0.927 257 V N 2.758 122.653 119.914 -0.033 0.000 2.508 257 V HA 0.250 4.370 4.120 0.000 0.000 0.281 257 V C -0.498 175.601 176.094 0.008 0.000 1.041 257 V CA -0.002 62.286 62.300 -0.019 0.000 1.016 257 V CB 0.464 32.277 31.823 -0.017 0.000 0.984 257 V HN 0.226 nan 8.190 nan 0.000 0.478 258 V N 5.892 125.817 119.914 0.020 0.000 2.487 258 V HA 0.697 4.817 4.120 0.000 0.000 0.298 258 V C 0.284 176.421 176.094 0.071 0.000 1.028 258 V CA 0.149 62.471 62.300 0.036 0.000 0.860 258 V CB 2.014 33.851 31.823 0.024 0.000 0.991 258 V HN 1.183 nan 8.190 nan 0.000 0.427 259 T N -0.312 114.302 114.554 0.101 0.000 2.893 259 T HA 0.592 4.942 4.350 0.000 0.000 0.291 259 T C -1.107 173.681 174.700 0.146 0.000 1.028 259 T CA -0.704 61.508 62.100 0.187 0.000 0.995 259 T CB 2.181 71.219 68.868 0.283 0.000 1.051 259 T HN 0.539 nan 8.240 nan 0.000 0.470 260 D N 1.085 121.600 120.400 0.192 0.000 2.460 260 D HA 0.259 4.899 4.640 0.000 0.000 0.232 260 D C 0.132 176.505 176.300 0.121 0.000 1.079 260 D CA -0.526 53.546 54.000 0.120 0.000 0.864 260 D CB 1.127 41.986 40.800 0.099 0.000 1.048 260 D HN 0.704 nan 8.370 nan 0.000 0.523 261 E N 1.156 121.344 120.200 -0.020 0.000 2.569 261 E HA 0.014 4.364 4.350 0.000 0.000 0.205 261 E C 1.329 177.854 176.600 -0.125 0.000 1.006 261 E CA -0.021 56.262 56.400 -0.195 0.000 0.985 261 E CB 0.480 29.980 29.700 -0.335 0.000 1.060 261 E HN 0.422 nan 8.360 nan 0.000 0.460 262 S N -0.594 115.077 115.700 -0.049 0.000 2.507 262 S HA -0.082 4.388 4.470 0.000 0.000 0.235 262 S C 1.616 176.195 174.600 -0.035 0.000 0.988 262 S CA 0.873 59.051 58.200 -0.037 0.000 0.944 262 S CB 0.068 63.259 63.200 -0.015 0.000 0.762 262 S HN 0.047 nan 8.310 nan 0.000 0.526 263 T N 0.608 115.139 114.554 -0.039 0.000 3.144 263 T HA 0.382 4.732 4.350 0.000 0.000 0.290 263 T C -0.080 174.582 174.700 -0.064 0.000 0.966 263 T CA -0.460 61.621 62.100 -0.031 0.000 0.907 263 T CB -0.009 68.862 68.868 0.004 0.000 1.152 263 T HN 0.326 nan 8.240 nan 0.000 0.532 264 L N 2.675 123.827 121.223 -0.119 0.000 2.342 264 L HA 0.413 4.753 4.340 0.000 0.000 0.285 264 L C 0.851 177.641 176.870 -0.134 0.000 1.095 264 L CA 0.149 54.881 54.840 -0.180 0.000 0.843 264 L CB 0.303 42.106 42.059 -0.427 0.000 1.201 264 L HN 0.135 nan 8.230 nan 0.000 0.445 265 R N 1.378 121.781 120.500 -0.163 0.000 2.344 265 R HA -0.001 4.339 4.340 0.000 0.000 0.209 265 R C 1.658 177.871 176.300 -0.144 0.000 0.886 265 R CA -0.171 55.840 56.100 -0.149 0.000 1.040 265 R CB 0.304 30.327 30.300 -0.463 0.000 1.114 265 R HN 0.662 nan 8.270 nan 0.000 0.547 266 Q N 1.889 121.537 119.800 -0.253 0.000 2.077 266 Q HA -0.140 4.200 4.340 0.000 0.000 0.206 266 Q C -1.032 174.844 176.000 -0.207 0.000 0.989 266 Q CA 1.905 57.521 55.803 -0.310 0.000 0.853 266 Q CB -0.722 27.905 28.738 -0.185 0.000 0.907 266 Q HN 0.155 nan 8.270 nan 0.000 0.418 267 P HA -0.189 nan 4.420 nan 0.000 0.215 267 P C 1.111 178.457 177.300 0.078 0.000 1.153 267 P CA 1.370 64.469 63.100 -0.002 0.000 0.853 267 P CB -0.760 30.951 31.700 0.018 0.000 0.788 268 W N -0.957 120.340 121.300 -0.006 0.000 2.381 268 W HA -0.133 4.527 4.660 0.000 0.000 0.301 268 W C 1.809 178.338 176.519 0.017 0.000 1.205 268 W CA 0.666 58.031 57.345 0.034 0.000 1.285 268 W CB -0.849 28.668 29.460 0.095 0.000 1.133 268 W HN 0.001 nan 8.180 nan 0.000 0.521 269 W N 0.499 121.489 121.300 -0.517 0.000 2.318 269 W HA -0.267 4.393 4.660 0.000 0.000 0.313 269 W C 2.831 178.915 176.519 -0.724 0.000 1.221 269 W CA 1.762 58.658 57.345 -0.749 0.000 1.266 269 W CB -1.081 27.782 29.460 -0.996 0.000 1.150 269 W HN -0.106 nan 8.180 nan 0.000 0.496 270 S N -0.226 115.192 115.700 -0.470 0.000 2.406 270 S HA -0.048 4.422 4.470 0.000 0.000 0.228 270 S C 1.801 176.320 174.600 -0.135 0.000 1.020 270 S CA 1.314 59.422 58.200 -0.154 0.000 0.965 270 S CB -0.242 62.929 63.200 -0.047 0.000 0.798 270 S HN 0.167 nan 8.310 nan 0.000 0.488 271 A N 1.115 123.805 122.820 -0.217 0.000 2.021 271 A HA 0.220 4.540 4.320 0.000 0.000 0.216 271 A C 1.345 178.698 177.584 -0.385 0.000 1.163 271 A CA 0.752 52.678 52.037 -0.186 0.000 0.676 271 A CB -0.784 18.208 19.000 -0.013 0.000 0.818 271 A HN 0.665 nan 8.150 nan 0.000 0.453 272 S N -0.608 114.611 115.700 -0.801 0.000 2.566 272 S HA 0.172 4.642 4.470 0.000 0.000 0.280 272 S C 1.053 175.422 174.600 -0.384 0.000 1.343 272 S CA 0.026 57.679 58.200 -0.912 0.000 1.036 272 S CB 0.983 63.451 63.200 -1.221 0.000 0.866 272 S HN 0.263 nan 8.310 nan 0.000 0.526 273 V N 1.994 121.752 119.914 -0.260 0.000 2.594 273 V HA -0.156 3.964 4.120 0.000 0.000 0.253 273 V C 1.815 177.884 176.094 -0.041 0.000 1.069 273 V CA 2.258 64.498 62.300 -0.101 0.000 1.082 273 V CB -1.276 30.511 31.823 -0.059 0.000 0.680 273 V HN 0.908 nan 8.190 nan 0.000 0.469 274 D N -0.183 120.168 120.400 -0.081 0.000 2.228 274 D HA -0.147 4.493 4.640 0.000 0.000 0.203 274 D C 2.055 178.477 176.300 0.204 0.000 0.988 274 D CA 1.554 55.565 54.000 0.018 0.000 0.864 274 D CB -0.245 40.528 40.800 -0.045 0.000 0.928 274 D HN 0.393 nan 8.370 nan 0.000 0.469 275 S N -0.767 115.009 115.700 0.126 0.000 2.575 275 S HA -0.012 4.458 4.470 0.000 0.000 0.215 275 S C 1.898 176.557 174.600 0.099 0.000 0.966 275 S CA 0.532 58.834 58.200 0.170 0.000 0.911 275 S CB -0.062 63.224 63.200 0.144 0.000 0.780 275 S HN 0.502 nan 8.310 nan 0.000 0.514 276 T N 0.186 114.828 114.554 0.147 0.000 2.867 276 T HA -0.194 4.156 4.350 0.000 0.000 0.268 276 T C 1.762 176.545 174.700 0.138 0.000 1.057 276 T CA 1.066 63.232 62.100 0.111 0.000 1.136 276 T CB -0.861 68.068 68.868 0.101 0.000 0.874 276 T HN 0.678 nan 8.240 nan 0.000 0.466 277 Y N 1.355 121.706 120.300 0.086 0.000 2.574 277 Y HA 0.316 4.866 4.550 0.000 0.000 0.294 277 Y C 1.784 177.752 175.900 0.113 0.000 1.142 277 Y CA 0.013 58.169 58.100 0.092 0.000 1.314 277 Y CB -0.731 37.787 38.460 0.096 0.000 0.991 277 Y HN 0.146 nan 8.280 nan 0.000 0.555 278 L N 0.458 121.374 121.223 -0.511 0.000 2.395 278 L HA 0.004 4.344 4.340 0.000 0.000 0.218 278 L C 0.621 177.509 176.870 0.029 0.000 1.130 278 L CA 0.245 54.900 54.840 -0.309 0.000 0.826 278 L CB -0.659 41.251 42.059 -0.248 0.000 0.941 278 L HN 0.139 nan 8.230 nan 0.000 0.451 279 T N 0.908 115.473 114.554 0.018 0.000 2.829 279 T HA 0.254 4.604 4.350 0.000 0.000 0.293 279 T C 1.197 175.951 174.700 0.090 0.000 0.970 279 T CA 0.785 62.926 62.100 0.068 0.000 1.168 279 T CB 0.726 69.626 68.868 0.053 0.000 0.911 279 T HN 0.565 nan 8.240 nan 0.000 0.535 280 G N 2.874 111.751 108.800 0.128 0.000 2.179 280 G HA2 -0.243 3.717 3.960 0.000 0.000 0.260 280 G HA3 -0.243 3.717 3.960 0.000 0.000 0.260 280 G C 0.194 175.139 174.900 0.076 0.000 0.977 280 G CA -0.427 44.733 45.100 0.101 0.000 0.641 280 G HN 0.617 nan 8.290 nan 0.000 0.533 281 K N 1.035 121.491 120.400 0.093 0.000 2.472 281 K HA 0.146 4.466 4.320 0.000 0.000 0.280 281 K C 0.876 177.389 176.600 -0.146 0.000 1.028 281 K CA 0.107 56.353 56.287 -0.068 0.000 1.045 281 K CB 0.429 32.802 32.500 -0.211 0.000 0.902 281 K HN 0.455 nan 8.250 nan 0.000 0.478 282 R N 1.484 121.906 120.500 -0.130 0.000 2.248 282 R HA 0.185 4.525 4.340 0.000 0.000 0.328 282 R C -0.069 176.128 176.300 -0.172 0.000 1.067 282 R CA -0.341 55.701 56.100 -0.097 0.000 0.924 282 R CB 0.829 31.102 30.300 -0.044 0.000 1.013 282 R HN 0.238 nan 8.270 nan 0.000 0.454 283 V N 5.610 125.428 119.914 -0.160 0.000 2.495 283 V HA 0.421 4.541 4.120 0.000 0.000 0.298 283 V C -1.217 174.839 176.094 -0.063 0.000 1.031 283 V CA -0.819 61.363 62.300 -0.196 0.000 0.871 283 V CB 1.325 32.962 31.823 -0.310 0.000 0.988 283 V HN 0.633 nan 8.190 nan 0.000 0.432 284 F N 7.214 127.065 119.950 -0.166 0.000 2.420 284 F HA 0.714 5.241 4.527 0.000 0.000 0.342 284 F C -0.257 175.474 175.800 -0.115 0.000 1.113 284 F CA -0.532 57.400 58.000 -0.114 0.000 1.059 284 F CB 1.210 40.154 39.000 -0.095 0.000 1.128 284 F HN 0.385 nan 8.300 nan 0.000 0.475 285 I N 7.255 127.545 120.570 -0.466 0.000 2.418 285 I HA 0.388 4.558 4.170 0.000 0.000 0.287 285 I C -1.240 174.773 176.117 -0.174 0.000 1.008 285 I CA -0.603 60.541 61.300 -0.260 0.000 1.104 285 I CB 1.740 39.569 38.000 -0.284 0.000 1.264 285 I HN 0.539 nan 8.210 nan 0.000 0.438 286 F N 3.990 123.865 119.950 -0.125 0.000 2.626 286 F HA 0.881 5.408 4.527 0.000 0.000 0.311 286 F C 0.300 176.083 175.800 -0.027 0.000 1.088 286 F CA 0.153 58.124 58.000 -0.049 0.000 0.949 286 F CB 2.325 41.403 39.000 0.129 0.000 1.322 286 F HN 0.600 nan 8.300 nan 0.000 0.461 287 G N 2.386 110.828 108.800 -0.596 0.000 2.291 287 G HA2 0.189 4.149 3.960 0.000 0.000 0.249 287 G HA3 0.189 4.149 3.960 0.000 0.000 0.249 287 G C -1.997 172.434 174.900 -0.782 0.000 1.340 287 G CA -0.391 44.527 45.100 -0.302 0.000 1.017 287 G HN 0.865 nan 8.290 nan 0.000 0.470 288 D N 0.439 120.491 120.400 -0.579 0.000 2.329 288 D HA 0.496 5.136 4.640 0.000 0.000 0.246 288 D C 1.627 177.720 176.300 -0.345 0.000 1.111 288 D CA 0.732 54.325 54.000 -0.680 0.000 0.941 288 D CB 0.828 41.423 40.800 -0.342 0.000 1.169 288 D HN 0.953 nan 8.370 nan 0.000 0.441 289 G N 0.566 109.184 108.800 -0.304 0.000 2.491 289 G HA2 -0.350 3.610 3.960 0.000 0.000 0.218 289 G HA3 -0.350 3.610 3.960 0.000 0.000 0.218 289 G C 1.404 176.255 174.900 -0.082 0.000 1.180 289 G CA 1.557 46.550 45.100 -0.179 0.000 0.774 289 G HN 0.596 nan 8.290 nan 0.000 0.562 290 T N 0.406 114.945 114.554 -0.026 0.000 2.624 290 T HA -0.190 4.160 4.350 0.000 0.000 0.268 290 T C 2.112 176.769 174.700 -0.072 0.000 1.041 290 T CA 2.010 64.089 62.100 -0.035 0.000 1.159 290 T CB -0.384 68.476 68.868 -0.013 0.000 0.863 290 T HN 0.537 nan 8.240 nan 0.000 0.434 291 H N -0.460 118.625 119.070 0.026 0.000 2.470 291 H HA 0.150 4.706 4.556 0.000 0.000 0.289 291 H C 2.193 177.531 175.328 0.018 0.000 1.033 291 H CA 0.654 56.742 56.048 0.067 0.000 1.331 291 H CB -0.147 29.674 29.762 0.100 0.000 1.414 291 H HN 0.146 nan 8.280 nan 0.000 0.545 292 V N 0.281 120.209 119.914 0.023 0.000 2.407 292 V HA -0.156 3.964 4.120 0.000 0.000 0.245 292 V C 2.201 178.258 176.094 -0.061 0.000 1.041 292 V CA 1.334 63.591 62.300 -0.070 0.000 1.040 292 V CB -0.327 31.381 31.823 -0.193 0.000 0.671 292 V HN 0.367 nan 8.190 nan 0.000 0.455 293 I N 0.763 121.309 120.570 -0.040 0.000 2.163 293 I HA -0.258 3.912 4.170 0.000 0.000 0.243 293 I C 2.669 178.812 176.117 0.043 0.000 1.085 293 I CA 1.672 62.971 61.300 -0.003 0.000 1.347 293 I CB -0.553 37.453 38.000 0.009 0.000 1.044 293 I HN 0.290 nan 8.210 nan 0.000 0.408 294 A N 0.587 123.436 122.820 0.048 0.000 1.898 294 A HA -0.106 4.214 4.320 0.000 0.000 0.216 294 A C 2.535 180.223 177.584 0.173 0.000 1.181 294 A CA 1.697 53.785 52.037 0.085 0.000 0.620 294 A CB -0.821 18.204 19.000 0.042 0.000 0.819 294 A HN 0.424 nan 8.150 nan 0.000 0.442 295 A N -0.080 122.868 122.820 0.212 0.000 1.933 295 A HA 0.167 4.487 4.320 0.000 0.000 0.218 295 A C 2.486 180.209 177.584 0.233 0.000 1.175 295 A CA 2.017 54.270 52.037 0.360 0.000 0.628 295 A CB -0.973 18.131 19.000 0.173 0.000 0.814 295 A HN 1.039 nan 8.150 nan 0.000 0.444 296 A N -0.323 122.515 122.820 0.030 0.000 1.933 296 A HA -0.176 4.144 4.320 0.000 0.000 0.218 296 A C 2.256 179.896 177.584 0.094 0.000 1.175 296 A CA 1.758 53.714 52.037 -0.135 0.000 0.628 296 A CB -0.489 18.194 19.000 -0.528 0.000 0.814 296 A HN 0.567 nan 8.150 nan 0.000 0.444 297 R N -0.253 120.379 120.500 0.219 0.000 2.066 297 R HA -0.080 4.260 4.340 0.000 0.000 0.232 297 R C 1.987 178.415 176.300 0.215 0.000 1.131 297 R CA 1.740 58.004 56.100 0.273 0.000 0.955 297 R CB -0.426 29.997 30.300 0.204 0.000 0.851 297 R HN 0.539 nan 8.270 nan 0.000 0.432 298 I N 1.022 121.718 120.570 0.210 0.000 2.127 298 I HA -0.298 3.872 4.170 0.000 0.000 0.241 298 I C 2.676 178.922 176.117 0.215 0.000 1.075 298 I CA 1.467 62.873 61.300 0.176 0.000 1.334 298 I CB -0.567 37.512 38.000 0.132 0.000 1.040 298 I HN 0.304 nan 8.210 nan 0.000 0.405 299 A N 0.819 123.866 122.820 0.378 0.000 1.869 299 A HA -0.283 4.037 4.320 0.000 0.000 0.218 299 A C 2.507 180.206 177.584 0.192 0.000 1.203 299 A CA 2.682 54.927 52.037 0.346 0.000 0.638 299 A CB -1.108 18.125 19.000 0.387 0.000 0.831 299 A HN 0.483 nan 8.150 nan 0.000 0.450 300 A N -1.149 121.810 122.820 0.231 0.000 1.874 300 A HA -0.020 4.300 4.320 0.000 0.000 0.214 300 A C 2.094 179.765 177.584 0.144 0.000 1.189 300 A CA 1.550 53.723 52.037 0.227 0.000 0.615 300 A CB -0.241 18.985 19.000 0.375 0.000 0.830 300 A HN 0.495 nan 8.150 nan 0.000 0.443 301 K N -0.960 119.521 120.400 0.136 0.000 2.361 301 K HA 0.119 4.439 4.320 0.000 0.000 0.194 301 K C 1.089 177.724 176.600 0.058 0.000 1.032 301 K CA 0.734 57.074 56.287 0.088 0.000 1.048 301 K CB 0.396 32.947 32.500 0.086 0.000 0.842 301 K HN 0.557 nan 8.250 nan 0.000 0.526 302 E N -0.288 119.942 120.200 0.050 0.000 2.391 302 E HA 0.025 4.375 4.350 0.000 0.000 0.206 302 E C 1.435 178.035 176.600 0.001 0.000 0.851 302 E CA 0.160 56.577 56.400 0.028 0.000 1.059 302 E CB 0.884 30.604 29.700 0.032 0.000 1.065 302 E HN -0.092 nan 8.360 nan 0.000 0.512 303 V N -0.477 119.395 119.914 -0.071 0.000 3.263 303 V HA 0.211 4.331 4.120 0.000 0.000 0.248 303 V C 1.370 177.314 176.094 -0.252 0.000 1.145 303 V CA 0.957 63.124 62.300 -0.221 0.000 1.107 303 V CB 0.787 32.254 31.823 -0.594 0.000 0.797 303 V HN 0.472 nan 8.190 nan 0.000 0.467 304 G N 0.159 108.880 108.800 -0.131 0.000 2.141 304 G HA2 -0.230 3.730 3.960 0.000 0.000 0.231 304 G HA3 -0.230 3.730 3.960 0.000 0.000 0.231 304 G C -0.066 174.900 174.900 0.110 0.000 0.984 304 G CA -0.266 44.830 45.100 -0.007 0.000 0.660 304 G HN 0.249 nan 8.290 nan 0.000 0.525 305 F N 1.167 121.157 119.950 0.067 0.000 2.496 305 F HA 0.438 4.965 4.527 0.000 0.000 0.344 305 F C 1.070 176.901 175.800 0.052 0.000 1.155 305 F CA -0.908 57.117 58.000 0.042 0.000 1.302 305 F CB 0.610 39.637 39.000 0.045 0.000 1.159 305 F HN 0.243 nan 8.300 nan 0.000 0.595 306 E N 1.441 121.781 120.200 0.234 0.000 2.167 306 E HA 0.382 4.732 4.350 0.000 0.000 0.284 306 E C -1.368 175.292 176.600 0.099 0.000 1.016 306 E CA -0.522 55.966 56.400 0.146 0.000 0.817 306 E CB 0.907 30.662 29.700 0.093 0.000 1.080 306 E HN 0.361 nan 8.360 nan 0.000 0.397 307 V N 6.337 126.308 119.914 0.095 0.000 2.415 307 V HA 0.002 4.122 4.120 0.000 0.000 0.267 307 V C 1.132 177.216 176.094 -0.016 0.000 1.042 307 V CA -0.026 62.264 62.300 -0.016 0.000 1.000 307 V CB 0.694 32.418 31.823 -0.166 0.000 1.015 307 V HN 0.725 nan 8.190 nan 0.000 0.478 308 V N 1.926 121.824 119.914 -0.027 0.000 3.643 308 V HA 0.673 4.793 4.120 0.000 0.000 0.280 308 V C 0.729 176.827 176.094 0.005 0.000 1.351 308 V CA 0.666 62.976 62.300 0.017 0.000 1.073 308 V CB 0.148 32.003 31.823 0.054 0.000 0.863 308 V HN 0.842 nan 8.190 nan 0.000 0.436 309 G N 0.175 108.869 108.800 -0.176 0.000 2.755 309 G HA2 0.674 4.634 3.960 0.000 0.000 0.297 309 G HA3 0.674 4.634 3.960 0.000 0.000 0.297 309 G C -1.540 172.924 174.900 -0.728 0.000 1.441 309 G CA -0.731 44.090 45.100 -0.466 0.000 0.964 309 G HN 0.108 nan 8.290 nan 0.000 0.540 310 M N 1.040 120.332 119.600 -0.513 0.000 2.271 310 M HA 0.651 5.131 4.480 0.000 0.000 0.285 310 M C -0.096 176.071 176.300 -0.223 0.000 1.059 310 M CA -0.376 54.692 55.300 -0.388 0.000 0.940 310 M CB 2.795 35.227 32.600 -0.279 0.000 1.636 310 M HN 0.918 nan 8.290 nan 0.000 0.460 311 G N 1.400 110.105 108.800 -0.158 0.000 2.677 311 G HA2 0.762 4.722 3.960 0.000 0.000 0.291 311 G HA3 0.762 4.722 3.960 0.000 0.000 0.291 311 G C -1.822 172.798 174.900 -0.467 0.000 1.435 311 G CA -0.708 44.377 45.100 -0.025 0.000 0.826 311 G HN 1.046 nan 8.290 nan 0.000 0.491 312 C N -0.570 118.409 119.300 -0.535 0.000 2.994 312 C HA 0.751 5.211 4.460 0.000 0.000 0.305 312 C C 0.863 175.463 174.990 -0.649 0.000 1.251 312 C CA -0.971 57.502 59.018 -0.908 0.000 1.478 312 C CB 0.441 27.833 27.740 -0.580 0.000 1.922 312 C HN 1.125 nan 8.230 nan 0.000 0.472 313 Y N 1.093 121.024 120.300 -0.616 0.000 2.517 313 Y HA 0.272 4.822 4.550 0.000 0.000 0.281 313 Y C 0.789 176.636 175.900 -0.088 0.000 1.125 313 Y CA 0.181 58.133 58.100 -0.247 0.000 1.283 313 Y CB -0.374 37.843 38.460 -0.406 0.000 1.042 313 Y HN 0.718 nan 8.280 nan 0.000 0.547 314 N N 2.217 120.786 118.700 -0.218 0.000 2.457 314 N HA 0.123 4.863 4.740 0.000 0.000 0.250 314 N C 0.426 175.912 175.510 -0.039 0.000 0.982 314 N CA -0.482 52.546 53.050 -0.036 0.000 0.941 314 N CB 1.475 39.913 38.487 -0.082 0.000 1.120 314 N HN 0.362 nan 8.380 nan 0.000 0.505 315 R N 1.798 122.314 120.500 0.026 0.000 2.193 315 R HA -0.120 4.220 4.340 0.000 0.000 0.229 315 R C 0.498 176.807 176.300 0.015 0.000 1.110 315 R CA 1.362 57.474 56.100 0.019 0.000 0.988 315 R CB 0.190 30.512 30.300 0.036 0.000 0.871 315 R HN 0.559 nan 8.270 nan 0.000 0.458 316 E N -0.428 119.789 120.200 0.028 0.000 2.209 316 E HA -0.157 4.193 4.350 0.000 0.000 0.196 316 E C 1.074 177.690 176.600 0.026 0.000 0.993 316 E CA 1.055 57.480 56.400 0.042 0.000 0.819 316 E CB 0.102 29.849 29.700 0.080 0.000 0.745 316 E HN 0.258 nan 8.360 nan 0.000 0.477 317 M N -0.608 118.987 119.600 -0.008 0.000 2.419 317 M HA 0.320 4.800 4.480 0.000 0.000 0.252 317 M C 1.513 177.793 176.300 -0.034 0.000 1.143 317 M CA 0.027 55.313 55.300 -0.023 0.000 0.985 317 M CB 0.035 32.600 32.600 -0.058 0.000 1.489 317 M HN 0.123 nan 8.290 nan 0.000 0.484 318 A N 1.202 124.009 122.820 -0.022 0.000 1.883 318 A HA -0.175 4.145 4.320 0.000 0.000 0.217 318 A C 2.378 179.960 177.584 -0.003 0.000 1.186 318 A CA 1.571 53.599 52.037 -0.016 0.000 0.624 318 A CB -0.342 18.658 19.000 0.001 0.000 0.822 318 A HN 0.455 nan 8.150 nan 0.000 0.444 319 R N -0.595 119.910 120.500 0.008 0.000 2.062 319 R HA -0.066 4.274 4.340 0.000 0.000 0.231 319 R C -0.516 175.794 176.300 0.015 0.000 1.136 319 R CA 1.419 57.529 56.100 0.015 0.000 0.948 319 R CB -1.430 28.883 30.300 0.022 0.000 0.845 319 R HN 0.439 nan 8.270 nan 0.000 0.430 320 P HA -0.181 nan 4.420 nan 0.000 0.217 320 P C 1.374 178.681 177.300 0.012 0.000 1.148 320 P CA 1.131 64.242 63.100 0.018 0.000 0.828 320 P CB 0.019 31.731 31.700 0.021 0.000 0.783 321 L N -0.323 120.896 121.223 -0.007 0.000 2.044 321 L HA -0.029 4.311 4.340 0.000 0.000 0.205 321 L C 2.786 179.657 176.870 0.002 0.000 1.075 321 L CA 1.612 56.441 54.840 -0.020 0.000 0.747 321 L CB -0.710 41.310 42.059 -0.064 0.000 0.903 321 L HN -0.254 nan 8.230 nan 0.000 0.435 322 R N -1.218 119.286 120.500 0.006 0.000 2.096 322 R HA -0.170 4.171 4.340 0.000 0.000 0.240 322 R C 2.071 178.390 176.300 0.032 0.000 1.139 322 R CA 2.004 58.115 56.100 0.019 0.000 0.952 322 R CB -1.050 29.260 30.300 0.018 0.000 0.854 322 R HN 0.402 nan 8.270 nan 0.000 0.436 323 T N 0.974 115.546 114.554 0.031 0.000 2.684 323 T HA -0.169 4.181 4.350 0.000 0.000 0.267 323 T C 1.963 176.695 174.700 0.054 0.000 1.036 323 T CA 1.599 63.719 62.100 0.034 0.000 1.148 323 T CB -0.281 68.603 68.868 0.027 0.000 0.863 323 T HN 0.418 nan 8.240 nan 0.000 0.436 324 A N 1.353 124.218 122.820 0.075 0.000 1.902 324 A HA 0.185 4.505 4.320 0.000 0.000 0.217 324 A C 2.643 180.379 177.584 0.253 0.000 1.181 324 A CA 1.810 53.934 52.037 0.146 0.000 0.623 324 A CB -1.092 17.991 19.000 0.138 0.000 0.818 324 A HN 0.508 nan 8.150 nan 0.000 0.443 325 A N -0.109 122.810 122.820 0.164 0.000 1.933 325 A HA 0.161 4.481 4.320 0.000 0.000 0.218 325 A C 2.459 180.162 177.584 0.198 0.000 1.175 325 A CA 1.972 54.115 52.037 0.177 0.000 0.628 325 A CB -0.943 18.087 19.000 0.050 0.000 0.814 325 A HN 1.078 nan 8.150 nan 0.000 0.444 326 A N -0.072 122.814 122.820 0.111 0.000 1.972 326 A HA -0.171 4.149 4.320 0.000 0.000 0.219 326 A C 1.806 179.410 177.584 0.034 0.000 1.169 326 A CA 1.642 53.718 52.037 0.064 0.000 0.635 326 A CB -0.507 18.514 19.000 0.035 0.000 0.810 326 A HN 0.650 nan 8.150 nan 0.000 0.446 327 E N -1.552 118.645 120.200 -0.004 0.000 2.265 327 E HA -0.177 4.173 4.350 0.000 0.000 0.196 327 E C 0.806 177.221 176.600 -0.308 0.000 0.996 327 E CA 1.220 57.509 56.400 -0.185 0.000 0.832 327 E CB -0.220 29.288 29.700 -0.319 0.000 0.756 327 E HN 0.886 nan 8.360 nan 0.000 0.491 328 Y N -0.805 119.499 120.300 0.007 0.000 2.457 328 Y HA 0.273 4.823 4.550 0.000 0.000 0.263 328 Y C 1.423 177.327 175.900 0.008 0.000 1.164 328 Y CA 0.176 58.282 58.100 0.009 0.000 1.274 328 Y CB 0.879 39.341 38.460 0.004 0.000 1.097 328 Y HN 0.023 nan 8.280 nan 0.000 0.523 329 G N 0.702 109.565 108.800 0.106 0.000 2.182 329 G HA2 -0.236 3.724 3.960 0.000 0.000 0.248 329 G HA3 -0.236 3.724 3.960 0.000 0.000 0.248 329 G C -0.663 174.281 174.900 0.074 0.000 1.042 329 G CA -0.164 44.978 45.100 0.069 0.000 0.775 329 G HN 0.108 nan 8.290 nan 0.000 0.501 330 L N -0.177 121.100 121.223 0.089 0.000 2.341 330 L HA 0.657 4.997 4.340 0.000 0.000 0.267 330 L C 0.092 176.991 176.870 0.047 0.000 1.009 330 L CA -1.458 53.419 54.840 0.062 0.000 0.819 330 L CB 1.676 43.764 42.059 0.048 0.000 1.323 330 L HN 0.125 nan 8.230 nan 0.000 0.425 331 E N 1.345 121.566 120.200 0.035 0.000 2.146 331 E HA 0.470 4.820 4.350 0.000 0.000 0.282 331 E C -0.568 176.045 176.600 0.021 0.000 0.989 331 E CA -0.544 55.874 56.400 0.031 0.000 0.799 331 E CB 1.755 31.475 29.700 0.034 0.000 1.088 331 E HN 0.637 nan 8.360 nan 0.000 0.397 332 A N 3.722 126.552 122.820 0.016 0.000 2.488 332 A HA 0.086 4.406 4.320 0.000 0.000 0.249 332 A C -0.030 177.573 177.584 0.031 0.000 1.083 332 A CA -0.288 51.750 52.037 0.002 0.000 0.768 332 A CB 0.030 19.027 19.000 -0.006 0.000 1.017 332 A HN 0.484 nan 8.150 nan 0.000 0.496 333 L N 5.134 126.391 121.223 0.055 0.000 2.312 333 L HA 0.346 4.686 4.340 0.000 0.000 0.287 333 L C -0.632 176.337 176.870 0.165 0.000 1.091 333 L CA -0.119 54.799 54.840 0.130 0.000 0.846 333 L CB 0.190 42.371 42.059 0.203 0.000 1.219 333 L HN 0.511 nan 8.230 nan 0.000 0.439 334 I N 4.920 125.559 120.570 0.117 0.000 2.287 334 I HA 0.391 4.561 4.170 0.000 0.000 0.290 334 I C 0.295 176.501 176.117 0.149 0.000 1.069 334 I CA -0.022 61.340 61.300 0.105 0.000 1.237 334 I CB 0.189 38.221 38.000 0.053 0.000 1.418 334 I HN 0.600 nan 8.210 nan 0.000 0.481 335 T N 3.886 118.580 114.554 0.234 0.000 2.942 335 T HA 0.254 4.604 4.350 0.000 0.000 0.327 335 T C -0.071 174.832 174.700 0.339 0.000 1.360 335 T CA -0.551 61.694 62.100 0.242 0.000 1.055 335 T CB 1.461 70.445 68.868 0.194 0.000 1.261 335 T HN 0.657 nan 8.240 nan 0.000 0.485 336 D N 1.686 122.270 120.400 0.306 0.000 2.363 336 D HA 0.174 4.814 4.640 0.000 0.000 0.214 336 D C 0.012 176.632 176.300 0.534 0.000 1.093 336 D CA -0.168 54.087 54.000 0.424 0.000 0.837 336 D CB 0.317 41.316 40.800 0.332 0.000 0.948 336 D HN 0.348 nan 8.370 nan 0.000 0.507 337 D N 0.595 121.221 120.400 0.378 0.000 2.443 337 D HA 0.031 4.671 4.640 0.000 0.000 0.221 337 D C 1.023 177.457 176.300 0.223 0.000 1.097 337 D CA -0.870 53.297 54.000 0.277 0.000 0.865 337 D CB 0.239 41.103 40.800 0.107 0.000 1.034 337 D HN 0.209 nan 8.370 nan 0.000 0.511 338 Y N 2.887 123.338 120.300 0.251 0.000 2.315 338 Y HA -0.095 4.455 4.550 0.000 0.000 0.288 338 Y C 1.417 177.286 175.900 -0.052 0.000 1.154 338 Y CA 0.812 58.964 58.100 0.086 0.000 1.229 338 Y CB -0.452 37.938 38.460 -0.115 0.000 0.980 338 Y HN 0.326 nan 8.280 nan 0.000 0.540 339 L N 0.458 121.161 121.223 -0.868 0.000 2.141 339 L HA -0.136 4.204 4.340 0.000 0.000 0.209 339 L C 2.647 179.334 176.870 -0.305 0.000 1.094 339 L CA 1.528 55.982 54.840 -0.644 0.000 0.763 339 L CB -0.493 41.201 42.059 -0.607 0.000 0.908 339 L HN 0.330 nan 8.230 nan 0.000 0.437 340 E N -0.234 119.844 120.200 -0.204 0.000 2.072 340 E HA -0.157 4.193 4.350 0.000 0.000 0.190 340 E C 2.275 178.787 176.600 -0.147 0.000 0.982 340 E CA 1.121 57.448 56.400 -0.122 0.000 0.803 340 E CB 0.136 29.810 29.700 -0.044 0.000 0.755 340 E HN 0.280 nan 8.360 nan 0.000 0.453 341 V N 1.300 121.089 119.914 -0.208 0.000 2.287 341 V HA -0.284 3.836 4.120 0.000 0.000 0.248 341 V C 2.366 178.261 176.094 -0.332 0.000 1.053 341 V CA 2.204 64.305 62.300 -0.330 0.000 1.027 341 V CB -0.557 30.945 31.823 -0.536 0.000 0.646 341 V HN 0.311 nan 8.190 nan 0.000 0.447 342 E N 0.174 120.214 120.200 -0.268 0.000 2.058 342 E HA -0.266 4.084 4.350 0.000 0.000 0.194 342 E C 2.347 178.797 176.600 -0.250 0.000 0.997 342 E CA 1.528 57.776 56.400 -0.254 0.000 0.801 342 E CB -0.100 29.484 29.700 -0.195 0.000 0.746 342 E HN 0.493 nan 8.360 nan 0.000 0.450 343 K N -0.283 119.993 120.400 -0.206 0.000 2.057 343 K HA -0.120 4.200 4.320 0.000 0.000 0.207 343 K C 2.139 178.639 176.600 -0.166 0.000 1.049 343 K CA 0.974 57.164 56.287 -0.162 0.000 0.931 343 K CB -0.149 32.279 32.500 -0.121 0.000 0.714 343 K HN 0.177 nan 8.250 nan 0.000 0.440 344 A N 1.390 124.107 122.820 -0.172 0.000 1.933 344 A HA -0.150 4.170 4.320 0.000 0.000 0.218 344 A C 2.071 179.452 177.584 -0.339 0.000 1.175 344 A CA 1.228 53.192 52.037 -0.122 0.000 0.628 344 A CB -0.509 18.528 19.000 0.062 0.000 0.814 344 A HN 0.204 nan 8.150 nan 0.000 0.444 345 I N -0.573 119.571 120.570 -0.709 0.000 2.142 345 I HA -0.286 3.884 4.170 0.000 0.000 0.240 345 I C 2.550 178.436 176.117 -0.385 0.000 1.078 345 I CA 1.800 62.597 61.300 -0.839 0.000 1.343 345 I CB -0.451 37.073 38.000 -0.794 0.000 1.046 345 I HN 0.422 nan 8.210 nan 0.000 0.405 346 E N 0.692 120.726 120.200 -0.277 0.000 2.085 346 E HA -0.252 4.098 4.350 0.000 0.000 0.194 346 E C 2.259 178.784 176.600 -0.125 0.000 0.994 346 E CA 1.436 57.731 56.400 -0.173 0.000 0.801 346 E CB -0.203 29.411 29.700 -0.144 0.000 0.743 346 E HN 0.535 nan 8.360 nan 0.000 0.453 347 A N 0.799 123.552 122.820 -0.112 0.000 2.015 347 A HA 0.002 4.322 4.320 0.000 0.000 0.219 347 A C 2.219 179.780 177.584 -0.039 0.000 1.163 347 A CA 1.446 53.447 52.037 -0.061 0.000 0.646 347 A CB -0.254 18.722 19.000 -0.039 0.000 0.806 347 A HN 0.284 nan 8.150 nan 0.000 0.448 348 A N -1.272 121.521 122.820 -0.046 0.000 2.081 348 A HA 0.498 4.818 4.320 0.000 0.000 0.214 348 A C 1.503 179.074 177.584 -0.022 0.000 1.158 348 A CA 1.074 53.115 52.037 0.008 0.000 0.724 348 A CB -0.788 18.280 19.000 0.113 0.000 0.826 348 A HN 1.915 nan 8.150 nan 0.000 0.463 349 A N 0.097 122.875 122.820 -0.069 0.000 2.312 349 A HA -0.082 4.239 4.320 0.000 0.000 0.286 349 A C -1.605 175.944 177.584 -0.059 0.000 1.425 349 A CA 0.584 52.577 52.037 -0.072 0.000 0.748 349 A CB -1.865 17.102 19.000 -0.055 0.000 1.126 349 A HN 0.491 nan 8.150 nan 0.000 0.368 350 P HA 0.260 nan 4.420 nan 0.000 0.274 350 P C 0.507 177.755 177.300 -0.086 0.000 1.256 350 P CA -0.157 62.911 63.100 -0.052 0.000 0.795 350 P CB 0.546 32.239 31.700 -0.012 0.000 1.038 351 E N -0.684 119.449 120.200 -0.112 0.000 2.452 351 E HA 0.161 4.511 4.350 0.000 0.000 0.197 351 E C 0.088 176.592 176.600 -0.160 0.000 1.022 351 E CA 0.129 56.455 56.400 -0.123 0.000 0.890 351 E CB 0.168 29.795 29.700 -0.122 0.000 0.918 351 E HN 0.143 nan 8.360 nan 0.000 0.496 352 L N 0.657 121.759 121.223 -0.202 0.000 2.472 352 L HA 0.450 4.790 4.340 0.000 0.000 0.260 352 L C -1.866 174.903 176.870 -0.168 0.000 0.963 352 L CA -0.670 54.036 54.840 -0.223 0.000 0.829 352 L CB 1.900 43.726 42.059 -0.388 0.000 1.348 352 L HN -0.146 nan 8.230 nan 0.000 0.408 353 I N 5.117 125.609 120.570 -0.129 0.000 2.406 353 I HA 0.445 4.615 4.170 0.000 0.000 0.290 353 I C -0.903 175.139 176.117 -0.126 0.000 0.999 353 I CA -0.436 60.824 61.300 -0.066 0.000 1.124 353 I CB 1.668 39.643 38.000 -0.041 0.000 1.289 353 I HN 0.400 nan 8.210 nan 0.000 0.441 354 L N 6.406 127.540 121.223 -0.149 0.000 2.294 354 L HA 0.803 5.143 4.340 0.000 0.000 0.283 354 L C 0.415 177.237 176.870 -0.081 0.000 1.015 354 L CA -0.123 54.570 54.840 -0.246 0.000 0.831 354 L CB 1.208 42.959 42.059 -0.513 0.000 1.217 354 L HN 0.839 nan 8.230 nan 0.000 0.420 355 G N 1.329 110.104 108.800 -0.041 0.000 2.694 355 G HA2 0.500 4.460 3.960 0.000 0.000 0.246 355 G HA3 0.500 4.460 3.960 0.000 0.000 0.246 355 G C -0.664 174.247 174.900 0.018 0.000 1.205 355 G CA 0.195 45.334 45.100 0.066 0.000 0.891 355 G HN 0.432 nan 8.290 nan 0.000 0.515 356 T N -2.513 112.111 114.554 0.116 0.000 2.893 356 T HA 0.408 4.758 4.350 0.000 0.000 0.279 356 T C 1.283 175.970 174.700 -0.022 0.000 0.991 356 T CA 0.368 62.506 62.100 0.064 0.000 0.950 356 T CB 1.510 70.550 68.868 0.287 0.000 1.223 356 T HN 0.409 nan 8.240 nan 0.000 0.585 357 Q N -0.319 119.434 119.800 -0.078 0.000 2.152 357 Q HA -0.130 4.210 4.340 0.000 0.000 0.206 357 Q C 2.022 177.815 176.000 -0.344 0.000 0.985 357 Q CA 2.214 57.886 55.803 -0.219 0.000 0.863 357 Q CB -0.894 27.628 28.738 -0.361 0.000 0.904 357 Q HN 0.765 nan 8.270 nan 0.000 0.422 358 M N 0.055 119.376 119.600 -0.465 0.000 2.117 358 M HA -0.105 4.375 4.480 0.000 0.000 0.262 358 M C 1.278 177.357 176.300 -0.369 0.000 1.065 358 M CA 1.791 56.627 55.300 -0.773 0.000 1.114 358 M CB -0.203 31.649 32.600 -1.247 0.000 1.361 358 M HN 0.114 nan 8.290 nan 0.000 0.408 359 E N -0.471 119.643 120.200 -0.143 0.000 2.150 359 E HA -0.150 4.200 4.350 0.000 0.000 0.193 359 E C 2.068 178.603 176.600 -0.108 0.000 0.985 359 E CA 1.152 57.504 56.400 -0.081 0.000 0.814 359 E CB -0.393 29.332 29.700 0.042 0.000 0.752 359 E HN 0.574 nan 8.360 nan 0.000 0.466 360 R N 0.746 121.176 120.500 -0.116 0.000 2.096 360 R HA -0.071 4.269 4.340 0.000 0.000 0.235 360 R C 1.630 177.861 176.300 -0.115 0.000 1.127 360 R CA 1.614 57.655 56.100 -0.097 0.000 0.968 360 R CB -0.051 30.198 30.300 -0.084 0.000 0.861 360 R HN 0.123 nan 8.270 nan 0.000 0.440 361 N N 0.171 118.768 118.700 -0.173 0.000 2.250 361 N HA -0.058 4.682 4.740 0.000 0.000 0.181 361 N C 1.857 177.274 175.510 -0.155 0.000 1.017 361 N CA 1.337 54.285 53.050 -0.170 0.000 0.866 361 N CB 0.019 38.364 38.487 -0.236 0.000 0.985 361 N HN 0.276 nan 8.380 nan 0.000 0.429 362 I N 1.644 122.110 120.570 -0.172 0.000 2.163 362 I HA -0.248 3.922 4.170 0.000 0.000 0.243 362 I C 2.485 178.526 176.117 -0.126 0.000 1.085 362 I CA 1.043 62.257 61.300 -0.144 0.000 1.347 362 I CB -0.336 37.570 38.000 -0.157 0.000 1.044 362 I HN 0.043 nan 8.210 nan 0.000 0.408 363 A N 0.385 123.133 122.820 -0.120 0.000 1.940 363 A HA -0.221 4.099 4.320 0.000 0.000 0.219 363 A C 2.378 179.912 177.584 -0.083 0.000 1.176 363 A CA 1.541 53.517 52.037 -0.102 0.000 0.631 363 A CB -0.419 18.528 19.000 -0.088 0.000 0.814 363 A HN 0.226 nan 8.150 nan 0.000 0.446 364 K N 0.013 120.367 120.400 -0.077 0.000 2.026 364 K HA -0.116 4.204 4.320 0.000 0.000 0.208 364 K C 1.977 178.540 176.600 -0.061 0.000 1.048 364 K CA 1.510 57.761 56.287 -0.060 0.000 0.929 364 K CB -0.281 32.187 32.500 -0.055 0.000 0.713 364 K HN 0.485 nan 8.250 nan 0.000 0.439 365 K N 0.555 120.913 120.400 -0.071 0.000 2.097 365 K HA -0.086 4.234 4.320 0.000 0.000 0.206 365 K C 2.045 178.606 176.600 -0.066 0.000 1.049 365 K CA 0.952 57.200 56.287 -0.065 0.000 0.933 365 K CB -0.061 32.397 32.500 -0.069 0.000 0.717 365 K HN 0.149 nan 8.250 nan 0.000 0.442 366 L N -0.098 121.079 121.223 -0.077 0.000 2.558 366 L HA 0.092 4.432 4.340 0.000 0.000 0.225 366 L C 0.851 177.680 176.870 -0.069 0.000 1.128 366 L CA 0.158 54.951 54.840 -0.079 0.000 0.868 366 L CB -0.115 41.883 42.059 -0.102 0.000 1.006 366 L HN 0.338 nan 8.230 nan 0.000 0.454 367 G N 1.396 110.160 108.800 -0.061 0.000 2.295 367 G HA2 -0.272 3.688 3.960 0.000 0.000 0.287 367 G HA3 -0.272 3.688 3.960 0.000 0.000 0.287 367 G C -0.179 174.687 174.900 -0.056 0.000 1.055 367 G CA 0.050 45.119 45.100 -0.052 0.000 0.922 367 G HN 0.245 nan 8.290 nan 0.000 0.503 368 L N -0.355 120.828 121.223 -0.066 0.000 2.346 368 L HA 0.504 4.844 4.340 0.000 0.000 0.274 368 L C -1.962 174.868 176.870 -0.067 0.000 1.007 368 L CA -2.573 52.224 54.840 -0.072 0.000 0.818 368 L CB 2.086 44.091 42.059 -0.091 0.000 1.284 368 L HN -0.115 nan 8.230 nan 0.000 0.424 369 P HA 0.041 nan 4.420 nan 0.000 0.266 369 P C -1.012 176.248 177.300 -0.066 0.000 1.195 369 P CA -0.225 62.839 63.100 -0.060 0.000 0.768 369 P CB 0.608 32.270 31.700 -0.062 0.000 0.838 370 C N 3.094 122.369 119.300 -0.042 0.000 2.985 370 C HA 0.826 5.286 4.460 0.000 0.000 0.332 370 C C -1.066 173.922 174.990 -0.003 0.000 1.164 370 C CA -0.079 58.912 59.018 -0.045 0.000 1.347 370 C CB 0.628 28.340 27.740 -0.047 0.000 1.764 370 C HN 0.703 nan 8.230 nan 0.000 0.489 371 A N 4.034 126.835 122.820 -0.031 0.000 2.413 371 A HA 0.832 5.152 4.320 0.000 0.000 0.307 371 A C -1.144 176.432 177.584 -0.013 0.000 1.087 371 A CA -0.410 51.645 52.037 0.030 0.000 0.750 371 A CB 1.399 20.452 19.000 0.088 0.000 1.296 371 A HN 1.032 nan 8.150 nan 0.000 0.423 372 V N 2.339 122.285 119.914 0.054 0.000 2.465 372 V HA 0.304 4.425 4.120 0.000 0.000 0.279 372 V C 0.822 176.941 176.094 0.040 0.000 1.045 372 V CA 0.429 62.723 62.300 -0.010 0.000 0.938 372 V CB 0.904 32.714 31.823 -0.021 0.000 0.986 372 V HN 0.839 nan 8.190 nan 0.000 0.467 373 I N 1.251 121.762 120.570 -0.099 0.000 4.327 373 I HA 0.528 4.698 4.170 0.000 0.000 0.331 373 I C 0.437 176.345 176.117 -0.349 0.000 1.348 373 I CA 0.153 61.469 61.300 0.027 0.000 1.152 373 I CB 0.911 38.978 38.000 0.113 0.000 1.151 373 I HN 0.503 nan 8.210 nan 0.000 0.410 374 S N 1.026 116.244 115.700 -0.802 0.000 2.537 374 S HA 0.776 5.246 4.470 0.000 0.000 0.271 374 S C -0.410 173.754 174.600 -0.728 0.000 1.148 374 S CA -0.145 57.556 58.200 -0.832 0.000 0.868 374 S CB 1.553 64.580 63.200 -0.289 0.000 1.115 374 S HN 0.461 nan 8.310 nan 0.000 0.461 375 A N 4.217 126.732 122.820 -0.509 0.000 2.448 375 A HA 0.549 4.869 4.320 0.000 0.000 0.239 375 A C -2.364 175.278 177.584 0.097 0.000 1.080 375 A CA -0.748 51.211 52.037 -0.130 0.000 0.779 375 A CB -0.546 18.455 19.000 0.001 0.000 1.026 375 A HN 0.633 nan 8.150 nan 0.000 0.499 376 P HA 0.335 nan 4.420 nan 0.000 0.271 376 P C -0.707 176.617 177.300 0.039 0.000 1.218 376 P CA 0.076 63.206 63.100 0.051 0.000 0.780 376 P CB 1.141 32.850 31.700 0.016 0.000 0.901 377 V N 2.576 122.528 119.914 0.063 0.000 3.049 377 V HA 0.300 4.420 4.120 0.000 0.000 0.309 377 V C -0.034 176.175 176.094 0.191 0.000 1.148 377 V CA -0.708 61.630 62.300 0.063 0.000 0.990 377 V CB 2.230 34.092 31.823 0.066 0.000 1.039 377 V HN 0.646 nan 8.190 nan 0.000 0.430 378 H N 0.966 120.127 119.070 0.152 0.000 2.490 378 H HA 0.323 4.879 4.556 0.000 0.000 0.354 378 H C 0.873 176.320 175.328 0.200 0.000 1.365 378 H CA -0.040 56.089 56.048 0.134 0.000 1.413 378 H CB 1.773 31.586 29.762 0.085 0.000 1.631 378 H HN 0.423 nan 8.280 nan 0.000 0.607 379 V N 1.113 121.182 119.914 0.258 0.000 2.392 379 V HA -0.283 3.837 4.120 0.000 0.000 0.249 379 V C 2.347 178.581 176.094 0.234 0.000 1.059 379 V CA 2.172 64.588 62.300 0.194 0.000 1.051 379 V CB -0.570 31.288 31.823 0.059 0.000 0.658 379 V HN 0.800 nan 8.190 nan 0.000 0.455 380 Q N -0.918 118.997 119.800 0.193 0.000 2.248 380 Q HA -0.257 4.083 4.340 0.000 0.000 0.208 380 Q C 1.276 177.374 176.000 0.162 0.000 0.984 380 Q CA 2.176 58.072 55.803 0.155 0.000 0.875 380 Q CB -0.750 28.066 28.738 0.130 0.000 0.910 380 Q HN 0.645 nan 8.270 nan 0.000 0.433 381 D N -0.441 120.087 120.400 0.213 0.000 2.328 381 D HA 0.108 4.748 4.640 0.000 0.000 0.221 381 D C -0.651 175.629 176.300 -0.033 0.000 1.072 381 D CA 0.054 54.151 54.000 0.162 0.000 0.850 381 D CB 0.031 40.987 40.800 0.261 0.000 0.922 381 D HN 0.152 nan 8.370 nan 0.000 0.516 382 F N 2.408 122.407 119.950 0.080 0.000 2.366 382 F HA 0.260 4.787 4.527 0.000 0.000 0.328 382 F C -1.900 173.914 175.800 0.024 0.000 1.180 382 F CA -1.888 56.131 58.000 0.033 0.000 1.232 382 F CB 1.028 40.043 39.000 0.026 0.000 1.513 382 F HN -0.192 nan 8.300 nan 0.000 0.540 383 P HA 0.228 nan 4.420 nan 0.000 0.276 383 P C 0.364 177.706 177.300 0.070 0.000 1.244 383 P CA -0.161 62.978 63.100 0.066 0.000 0.801 383 P CB 1.678 33.389 31.700 0.019 0.000 1.006 384 A N 2.800 125.660 122.820 0.068 0.000 1.969 384 A HA -0.107 4.214 4.320 0.000 0.000 0.218 384 A C 1.287 178.912 177.584 0.068 0.000 1.169 384 A CA 0.993 53.069 52.037 0.066 0.000 0.635 384 A CB -0.692 18.341 19.000 0.056 0.000 0.810 384 A HN 0.726 nan 8.150 nan 0.000 0.445 385 R N -2.171 118.365 120.500 0.061 0.000 2.577 385 R HA 0.356 4.696 4.340 0.000 0.000 0.269 385 R C -0.392 175.970 176.300 0.104 0.000 1.084 385 R CA -0.591 55.557 56.100 0.079 0.000 1.163 385 R CB 0.081 30.418 30.300 0.062 0.000 1.100 385 R HN 0.253 nan 8.270 nan 0.000 0.547 386 Y N 0.819 121.112 120.300 -0.011 0.000 2.650 386 Y HA 0.176 4.726 4.550 0.000 0.000 0.331 386 Y C -0.148 175.731 175.900 -0.036 0.000 1.165 386 Y CA 0.702 58.789 58.100 -0.022 0.000 1.473 386 Y CB 0.506 38.955 38.460 -0.018 0.000 1.224 386 Y HN 0.803 nan 8.280 nan 0.000 0.533 387 A N 8.264 130.842 122.820 -0.404 0.000 3.339 387 A HA 0.307 4.627 4.320 0.000 0.000 0.219 387 A C -2.866 174.466 177.584 -0.420 0.000 0.974 387 A CA -1.066 50.775 52.037 -0.327 0.000 1.050 387 A CB -0.213 18.671 19.000 -0.193 0.000 1.271 387 A HN 0.514 nan 8.150 nan 0.000 0.565 388 P HA 0.126 nan 4.420 nan 0.000 0.272 388 P C -0.079 177.073 177.300 -0.247 0.000 1.240 388 P CA 0.248 63.103 63.100 -0.409 0.000 0.791 388 P CB 0.969 32.404 31.700 -0.442 0.000 0.978 389 Q N -0.076 119.628 119.800 -0.161 0.000 2.392 389 Q HA 0.218 4.558 4.340 0.000 0.000 0.219 389 Q C 0.968 176.929 176.000 -0.064 0.000 0.895 389 Q CA 0.571 56.343 55.803 -0.052 0.000 0.929 389 Q CB 0.179 28.977 28.738 0.101 0.000 1.077 389 Q HN 0.548 nan 8.270 nan 0.000 0.532 390 M N 0.023 119.557 119.600 -0.110 0.000 2.291 390 M HA 0.386 4.866 4.480 0.000 0.000 0.324 390 M C 0.846 177.052 176.300 -0.157 0.000 1.148 390 M CA 0.453 55.658 55.300 -0.157 0.000 1.104 390 M CB 0.949 33.415 32.600 -0.223 0.000 1.483 390 M HN 0.314 nan 8.290 nan 0.000 0.467 391 G N 0.721 109.399 108.800 -0.205 0.000 2.645 391 G HA2 -0.265 3.695 3.960 0.000 0.000 0.246 391 G HA3 -0.265 3.695 3.960 0.000 0.000 0.246 391 G C -0.142 174.699 174.900 -0.099 0.000 1.322 391 G CA -0.160 44.778 45.100 -0.270 0.000 0.898 391 G HN 0.613 nan 8.290 nan 0.000 0.573 392 F N 0.403 120.342 119.950 -0.019 0.000 2.163 392 F HA 0.134 4.661 4.527 0.000 0.000 0.297 392 F C 2.619 178.395 175.800 -0.040 0.000 1.094 392 F CA 1.788 59.773 58.000 -0.026 0.000 1.290 392 F CB -0.757 38.237 39.000 -0.009 0.000 1.017 392 F HN 0.595 nan 8.300 nan 0.000 0.483 393 E N 0.405 120.700 120.200 0.158 0.000 2.106 393 E HA -0.068 4.282 4.350 0.000 0.000 0.192 393 E C 2.518 179.114 176.600 -0.007 0.000 0.984 393 E CA 1.310 57.760 56.400 0.082 0.000 0.806 393 E CB -0.836 28.967 29.700 0.171 0.000 0.750 393 E HN 0.264 nan 8.360 nan 0.000 0.458 394 G N 0.431 109.207 108.800 -0.040 0.000 2.440 394 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 394 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 394 G C 1.715 176.569 174.900 -0.076 0.000 1.154 394 G CA 1.258 46.308 45.100 -0.083 0.000 0.767 394 G HN 0.456 nan 8.290 nan 0.000 0.552 395 A N 1.191 123.991 122.820 -0.034 0.000 1.902 395 A HA -0.099 4.221 4.320 0.000 0.000 0.217 395 A C 2.313 179.848 177.584 -0.082 0.000 1.181 395 A CA 1.944 53.948 52.037 -0.055 0.000 0.623 395 A CB -0.453 18.560 19.000 0.022 0.000 0.818 395 A HN 0.357 nan 8.150 nan 0.000 0.443 396 N N 0.315 118.966 118.700 -0.082 0.000 2.043 396 N HA -0.139 4.601 4.740 0.000 0.000 0.193 396 N C 1.720 177.174 175.510 -0.094 0.000 1.037 396 N CA 1.723 54.692 53.050 -0.135 0.000 0.851 396 N CB -0.814 37.582 38.487 -0.152 0.000 1.027 396 N HN 0.244 nan 8.380 nan 0.000 0.422 397 V N 1.579 121.442 119.914 -0.085 0.000 2.332 397 V HA -0.170 3.950 4.120 0.000 0.000 0.248 397 V C 2.364 178.405 176.094 -0.089 0.000 1.055 397 V CA 1.250 63.506 62.300 -0.073 0.000 1.038 397 V CB -0.511 31.258 31.823 -0.091 0.000 0.651 397 V HN 0.237 nan 8.190 nan 0.000 0.450 398 L N -1.648 119.467 121.223 -0.180 0.000 2.141 398 L HA -0.135 4.206 4.340 0.000 0.000 0.209 398 L C 2.278 178.795 176.870 -0.589 0.000 1.094 398 L CA 1.456 56.026 54.840 -0.451 0.000 0.763 398 L CB -0.475 41.222 42.059 -0.604 0.000 0.908 398 L HN 0.333 nan 8.230 nan 0.000 0.437 399 F N 1.101 120.812 119.950 -0.398 0.000 2.113 399 F HA -0.226 4.301 4.527 0.000 0.000 0.297 399 F C 2.213 177.982 175.800 -0.050 0.000 1.103 399 F CA 1.683 59.540 58.000 -0.239 0.000 1.248 399 F CB -0.080 38.822 39.000 -0.163 0.000 0.999 399 F HN 0.087 nan 8.300 nan 0.000 0.475 400 D N -0.444 120.031 120.400 0.125 0.000 2.123 400 D HA -0.157 4.483 4.640 0.000 0.000 0.196 400 D C 2.297 178.666 176.300 0.116 0.000 0.992 400 D CA 1.974 56.056 54.000 0.137 0.000 0.833 400 D CB -0.742 40.120 40.800 0.103 0.000 0.954 400 D HN 0.267 nan 8.370 nan 0.000 0.455 401 T N -0.033 114.579 114.554 0.097 0.000 2.746 401 T HA -0.155 4.195 4.350 0.000 0.000 0.267 401 T C 1.505 176.447 174.700 0.403 0.000 1.039 401 T CA 0.957 63.191 62.100 0.224 0.000 1.142 401 T CB -0.204 68.812 68.868 0.246 0.000 0.866 401 T HN 0.240 nan 8.240 nan 0.000 0.444 402 W N 0.586 121.918 121.300 0.054 0.000 2.576 402 W HA 0.255 4.915 4.660 0.000 0.000 0.270 402 W C 2.148 178.703 176.519 0.060 0.000 1.255 402 W CA -0.681 56.709 57.345 0.075 0.000 1.314 402 W CB -1.217 28.307 29.460 0.107 0.000 1.101 402 W HN 0.073 nan 8.180 nan 0.000 0.595 403 V N -0.324 119.699 119.914 0.182 0.000 2.788 403 V HA -0.220 3.900 4.120 0.000 0.000 0.251 403 V C 2.166 178.367 176.094 0.179 0.000 1.068 403 V CA 1.932 64.292 62.300 0.100 0.000 1.090 403 V CB -0.905 30.829 31.823 -0.148 0.000 0.710 403 V HN 0.146 nan 8.190 nan 0.000 0.467 404 H N 2.312 121.456 119.070 0.123 0.000 2.289 404 H HA -0.135 4.421 4.556 0.000 0.000 0.296 404 H C 0.071 175.462 175.328 0.105 0.000 1.091 404 H CA 2.663 58.783 56.048 0.119 0.000 1.274 404 H CB -1.234 28.597 29.762 0.116 0.000 1.364 404 H HN 0.365 nan 8.280 nan 0.000 0.490 405 P HA -0.069 nan 4.420 nan 0.000 0.226 405 P C -0.090 177.160 177.300 -0.083 0.000 1.153 405 P CA 0.727 63.734 63.100 -0.156 0.000 0.777 405 P CB 0.131 31.824 31.700 -0.010 0.000 0.794 406 L N 0.511 121.736 121.223 0.004 0.000 2.331 406 L HA 0.142 4.482 4.340 0.000 0.000 0.278 406 L C 0.620 177.538 176.870 0.080 0.000 1.106 406 L CA -0.802 54.077 54.840 0.064 0.000 0.824 406 L CB 1.145 43.291 42.059 0.146 0.000 1.142 406 L HN -0.290 nan 8.230 nan 0.000 0.443 407 V N 4.489 124.438 119.914 0.059 0.000 2.617 407 V HA -0.083 4.037 4.120 0.000 0.000 0.304 407 V C 0.724 176.834 176.094 0.026 0.000 1.040 407 V CA 0.326 62.643 62.300 0.029 0.000 1.149 407 V CB 0.939 32.768 31.823 0.010 0.000 0.914 407 V HN 0.704 nan 8.190 nan 0.000 0.487 408 M N 3.633 123.191 119.600 -0.070 0.000 2.202 408 M HA 0.292 4.772 4.480 0.000 0.000 0.316 408 M C 1.534 177.558 176.300 -0.460 0.000 1.138 408 M CA 0.986 56.121 55.300 -0.275 0.000 1.151 408 M CB 0.803 33.317 32.600 -0.143 0.000 1.422 408 M HN 0.795 nan 8.290 nan 0.000 0.471 409 G N 1.491 109.789 108.800 -0.836 0.000 2.513 409 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 409 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 409 G C 1.246 176.147 174.900 0.002 0.000 1.160 409 G CA 0.989 45.792 45.100 -0.495 0.000 0.767 409 G HN 0.692 nan 8.290 nan 0.000 0.571 410 L N 0.041 121.244 121.223 -0.034 0.000 1.976 410 L HA -0.063 4.277 4.340 0.000 0.000 0.209 410 L C 2.836 179.755 176.870 0.081 0.000 1.071 410 L CA 2.307 57.174 54.840 0.045 0.000 0.746 410 L CB -0.475 41.581 42.059 -0.006 0.000 0.890 410 L HN 0.436 nan 8.230 nan 0.000 0.432 411 E N -0.175 120.037 120.200 0.019 0.000 2.130 411 E HA -0.313 4.037 4.350 0.000 0.000 0.196 411 E C 1.950 178.561 176.600 0.018 0.000 0.998 411 E CA 1.715 58.130 56.400 0.024 0.000 0.806 411 E CB -0.005 29.694 29.700 -0.002 0.000 0.738 411 E HN 0.517 nan 8.360 nan 0.000 0.459 412 E N -0.809 119.379 120.200 -0.022 0.000 2.085 412 E HA -0.216 4.134 4.350 0.000 0.000 0.194 412 E C 1.829 178.354 176.600 -0.125 0.000 0.994 412 E CA 1.433 57.786 56.400 -0.078 0.000 0.801 412 E CB -0.096 29.528 29.700 -0.126 0.000 0.743 412 E HN 0.467 nan 8.360 nan 0.000 0.453 413 H N -0.457 118.588 119.070 -0.042 0.000 2.546 413 H HA 0.020 4.576 4.556 0.000 0.000 0.277 413 H C 1.594 176.871 175.328 -0.086 0.000 1.004 413 H CA 0.627 56.638 56.048 -0.062 0.000 1.231 413 H CB 0.166 29.899 29.762 -0.049 0.000 1.382 413 H HN 0.112 nan 8.280 nan 0.000 0.580 414 L N -0.779 120.502 121.223 0.097 0.000 2.477 414 L HA -0.011 4.329 4.340 0.000 0.000 0.220 414 L C 1.496 178.418 176.870 0.086 0.000 1.106 414 L CA -0.077 54.866 54.840 0.172 0.000 0.851 414 L CB -0.074 42.135 42.059 0.251 0.000 0.994 414 L HN 0.203 nan 8.230 nan 0.000 0.462 415 L N -0.195 121.033 121.223 0.009 0.000 1.965 415 L HA -0.317 4.023 4.340 0.000 0.000 0.226 415 L C 1.797 178.663 176.870 -0.008 0.000 1.083 415 L CA 2.598 57.435 54.840 -0.005 0.000 0.790 415 L CB -0.521 41.517 42.059 -0.034 0.000 0.898 415 L HN 0.373 nan 8.230 nan 0.000 0.439 416 T N -4.284 110.237 114.554 -0.056 0.000 4.888 416 T HA -0.053 4.297 4.350 0.000 0.000 0.295 416 T C 0.641 175.246 174.700 -0.158 0.000 1.883 416 T CA 0.513 62.549 62.100 -0.107 0.000 2.937 416 T CB -0.623 68.167 68.868 -0.129 0.000 0.636 416 T HN 0.327 nan 8.240 nan 0.000 0.492 417 M N -0.735 118.691 119.600 -0.291 0.000 2.211 417 M HA 0.536 5.016 4.480 0.000 0.000 0.338 417 M C -0.108 175.998 176.300 -0.324 0.000 0.893 417 M CA -0.138 54.943 55.300 -0.365 0.000 1.096 417 M CB 0.670 32.968 32.600 -0.505 0.000 1.923 417 M HN 0.139 nan 8.290 nan 0.000 0.656 418 F N 0.000 119.957 119.950 0.011 0.000 2.286 418 F HA 0.000 4.527 4.527 0.000 0.000 0.279 418 F CA 0.000 58.004 58.000 0.007 0.000 1.383 418 F CB 0.000 39.005 39.000 0.009 0.000 1.145 418 F HN 0.000 nan 8.300 nan 0.000 0.574