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 2pxj_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASESETLNPS ARIMTFYPTM EEFRNFSRYI AYIESQGAHR AGLAKVVPPK DATA SEQUENCE EWKPRASYDD IDDLVIPAPI QQLVTGQSGL FTQYNIQKKA MTVREFRKIA DATA SEQUENCE NSDKYCTPRY SEFEELERKY WKNLTFNPPI YGADVNGTLY EKHVDEWNIG DATA SEQUENCE RLRTILDLVE KESGITIEGV NTPYLYFGMW KTSFAWHTED MDLYSINYLH DATA SEQUENCE FGEPKSWYSV PPEHGKRLER LAKGFFPGSA QSCEAFLRHK MTLISPLMLK DATA SEQUENCE KYGIPFDKVT QEAGEFMITF PYGYHAGFNH GFNCAESTNF ATRRWIEYGK DATA SEQUENCE QAVLCSCRKD MVKISMDVFV RKFQPERYKL WKAGKDNTVI DHTLPTP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 2 A CB 0.000 19.000 19.000 0.000 0.000 0.831 3 S N 1.522 117.222 115.700 -0.001 0.000 2.694 3 S HA 0.427 4.901 4.470 0.006 0.000 0.211 3 S C 0.877 175.478 174.600 0.002 0.000 1.328 3 S CA 0.786 58.986 58.200 -0.000 0.000 1.236 3 S CB -0.561 62.637 63.200 -0.002 0.000 1.121 3 S HN 1.572 nan 8.310 nan 0.000 0.517 4 E N -0.026 120.175 120.200 0.003 0.000 4.250 4 E HA -0.250 4.103 4.350 0.006 0.000 0.325 4 E C 0.861 177.465 176.600 0.007 0.000 0.640 4 E CA 1.843 58.246 56.400 0.004 0.000 1.343 4 E CB -1.877 27.826 29.700 0.006 0.000 1.759 4 E HN 0.510 nan 8.360 nan 0.000 0.401 5 S N -0.237 115.469 115.700 0.010 0.000 2.425 5 S HA -0.013 4.461 4.470 0.006 0.000 0.225 5 S C 1.466 176.073 174.600 0.012 0.000 1.024 5 S CA 1.077 59.289 58.200 0.021 0.000 0.951 5 S CB -0.097 63.118 63.200 0.026 0.000 0.796 5 S HN 0.503 nan 8.310 nan 0.000 0.498 6 E N 0.058 120.260 120.200 0.003 0.000 2.442 6 E HA 0.064 4.417 4.350 0.006 0.000 0.195 6 E C 1.123 177.717 176.600 -0.010 0.000 1.030 6 E CA 0.698 57.094 56.400 -0.006 0.000 0.869 6 E CB 0.041 29.740 29.700 -0.002 0.000 0.857 6 E HN 0.426 nan 8.360 nan 0.000 0.505 7 T N 1.061 115.611 114.554 -0.007 0.000 3.129 7 T HA 0.121 4.474 4.350 0.006 0.000 0.251 7 T C 0.563 175.256 174.700 -0.013 0.000 1.117 7 T CA 0.327 62.423 62.100 -0.007 0.000 1.034 7 T CB 0.124 68.991 68.868 -0.002 0.000 0.968 7 T HN 0.003 nan 8.240 nan 0.000 0.526 8 L N 2.375 123.587 121.223 -0.019 0.000 2.282 8 L HA 0.402 4.746 4.340 0.006 0.000 0.288 8 L C 0.382 177.219 176.870 -0.055 0.000 1.033 8 L CA -0.768 54.055 54.840 -0.028 0.000 0.807 8 L CB 0.720 42.768 42.059 -0.018 0.000 1.209 8 L HN 0.070 nan 8.230 nan 0.000 0.423 9 N N 2.732 121.400 118.700 -0.053 0.000 2.688 9 N HA -0.153 4.591 4.740 0.006 0.000 0.258 9 N C -1.964 173.507 175.510 -0.065 0.000 1.016 9 N CA 0.151 53.160 53.050 -0.068 0.000 0.747 9 N CB -0.387 38.037 38.487 -0.105 0.000 0.895 9 N HN 0.362 nan 8.380 nan 0.000 0.543 10 P HA -0.144 nan 4.420 nan 0.000 0.216 10 P C 1.289 178.580 177.300 -0.015 0.000 1.150 10 P CA 1.887 64.972 63.100 -0.025 0.000 0.837 10 P CB -0.120 31.571 31.700 -0.014 0.000 0.786 11 S N -0.879 114.810 115.700 -0.018 0.000 2.603 11 S HA 0.194 4.668 4.470 0.006 0.000 0.229 11 S C 1.240 175.836 174.600 -0.007 0.000 0.972 11 S CA 0.358 58.552 58.200 -0.011 0.000 0.935 11 S CB -1.280 61.908 63.200 -0.020 0.000 0.769 11 S HN 0.249 nan 8.310 nan 0.000 0.536 12 A N 0.612 123.417 122.820 -0.026 0.000 2.640 12 A HA -0.215 4.109 4.320 0.006 0.000 0.300 12 A C 0.435 178.011 177.584 -0.014 0.000 1.499 12 A CA 0.984 53.001 52.037 -0.034 0.000 0.759 12 A CB -2.194 16.813 19.000 0.011 0.000 1.048 12 A HN 0.712 nan 8.150 nan 0.000 0.450 13 R N -0.904 119.581 120.500 -0.025 0.000 2.573 13 R HA 0.614 4.957 4.340 0.006 0.000 0.272 13 R C 0.387 176.683 176.300 -0.007 0.000 1.009 13 R CA -0.814 55.280 56.100 -0.011 0.000 1.059 13 R CB 0.751 31.038 30.300 -0.022 0.000 1.112 13 R HN 0.509 nan 8.270 nan 0.000 0.517 14 I N 3.708 124.288 120.570 0.017 0.000 2.671 14 I HA -0.050 4.124 4.170 0.006 0.000 0.285 14 I C 0.436 176.546 176.117 -0.012 0.000 1.148 14 I CA 0.850 62.165 61.300 0.025 0.000 1.386 14 I CB 0.066 38.086 38.000 0.033 0.000 1.406 14 I HN 0.345 nan 8.210 nan 0.000 0.540 15 M N 5.596 125.192 119.600 -0.007 0.000 2.409 15 M HA 0.387 4.870 4.480 0.006 0.000 0.329 15 M C -0.116 176.102 176.300 -0.137 0.000 1.180 15 M CA -0.295 54.928 55.300 -0.128 0.000 1.053 15 M CB 1.603 34.076 32.600 -0.211 0.000 1.586 15 M HN 0.408 nan 8.290 nan 0.000 0.461 16 T N 2.034 116.417 114.554 -0.285 0.000 2.824 16 T HA 0.674 5.028 4.350 0.006 0.000 0.282 16 T C -1.102 173.422 174.700 -0.294 0.000 0.993 16 T CA -0.426 61.578 62.100 -0.160 0.000 0.967 16 T CB 0.649 69.490 68.868 -0.044 0.000 0.960 16 T HN 0.275 nan 8.240 nan 0.000 0.441 17 F N 1.639 121.616 119.950 0.045 0.000 2.508 17 F HA 0.543 5.074 4.527 0.006 0.000 0.325 17 F C -0.587 175.207 175.800 -0.011 0.000 1.090 17 F CA -1.133 56.976 58.000 0.183 0.000 0.945 17 F CB 1.468 40.657 39.000 0.316 0.000 1.156 17 F HN 0.499 nan 8.300 nan 0.000 0.463 18 Y N 2.730 123.203 120.300 0.289 0.000 2.863 18 Y HA 0.335 4.889 4.550 0.006 0.000 0.348 18 Y C -2.285 173.672 175.900 0.095 0.000 1.028 18 Y CA -2.723 55.447 58.100 0.116 0.000 1.213 18 Y CB 0.136 38.629 38.460 0.055 0.000 1.120 18 Y HN 0.268 nan 8.280 nan 0.000 0.598 19 P HA 0.129 nan 4.420 nan 0.000 0.279 19 P C 0.120 177.348 177.300 -0.120 0.000 1.239 19 P CA -0.229 62.821 63.100 -0.084 0.000 0.789 19 P CB 1.519 32.834 31.700 -0.643 0.000 0.933 20 T N -0.319 114.204 114.554 -0.051 0.000 2.813 20 T HA 0.081 4.435 4.350 0.006 0.000 0.297 20 T C 1.323 175.994 174.700 -0.049 0.000 1.036 20 T CA -0.556 61.522 62.100 -0.038 0.000 1.044 20 T CB 0.324 69.189 68.868 -0.005 0.000 0.993 20 T HN 0.268 nan 8.240 nan 0.000 0.535 21 M N 0.405 119.995 119.600 -0.017 0.000 2.267 21 M HA -0.062 4.422 4.480 0.006 0.000 0.263 21 M C 2.029 178.368 176.300 0.065 0.000 1.063 21 M CA 1.497 56.822 55.300 0.043 0.000 1.090 21 M CB -0.980 31.659 32.600 0.065 0.000 1.392 21 M HN 0.725 nan 8.290 nan 0.000 0.422 22 E N 0.300 120.517 120.200 0.028 0.000 2.072 22 E HA -0.164 4.189 4.350 0.006 0.000 0.191 22 E C 1.889 178.493 176.600 0.007 0.000 0.985 22 E CA 1.503 57.916 56.400 0.021 0.000 0.801 22 E CB -0.162 29.544 29.700 0.010 0.000 0.750 22 E HN 0.691 nan 8.360 nan 0.000 0.452 23 E N -0.448 119.741 120.200 -0.019 0.000 2.107 23 E HA -0.121 4.233 4.350 0.006 0.000 0.191 23 E C 1.900 178.436 176.600 -0.108 0.000 0.982 23 E CA 0.411 56.788 56.400 -0.038 0.000 0.809 23 E CB -0.260 29.410 29.700 -0.050 0.000 0.756 23 E HN 0.124 nan 8.360 nan 0.000 0.459 24 F N 2.280 122.025 119.950 -0.343 0.000 2.250 24 F HA -0.124 4.406 4.527 0.006 0.000 0.301 24 F C 2.298 178.055 175.800 -0.071 0.000 1.077 24 F CA 1.212 58.974 58.000 -0.397 0.000 1.348 24 F CB 0.007 38.678 39.000 -0.549 0.000 1.040 24 F HN -0.201 nan 8.300 nan 0.000 0.509 25 R N 0.294 120.765 120.500 -0.047 0.000 2.096 25 R HA -0.152 4.192 4.340 0.006 0.000 0.235 25 R C 0.547 176.814 176.300 -0.055 0.000 1.127 25 R CA 1.177 57.252 56.100 -0.041 0.000 0.968 25 R CB -0.360 29.952 30.300 0.020 0.000 0.861 25 R HN 0.100 nan 8.270 nan 0.000 0.440 26 N N 0.732 119.409 118.700 -0.039 0.000 2.589 26 N HA -0.042 4.702 4.740 0.006 0.000 0.232 26 N C 0.180 175.631 175.510 -0.098 0.000 1.015 26 N CA -0.122 52.894 53.050 -0.056 0.000 0.931 26 N CB 0.482 38.945 38.487 -0.039 0.000 1.150 26 N HN 0.052 nan 8.380 nan 0.000 0.512 27 F N 3.602 123.326 119.950 -0.377 0.000 2.025 27 F HA -0.304 4.227 4.527 0.006 0.000 0.297 27 F C 2.486 177.961 175.800 -0.540 0.000 1.132 27 F CA 2.492 60.073 58.000 -0.699 0.000 1.191 27 F CB -0.512 37.873 39.000 -1.024 0.000 0.963 27 F HN 0.564 nan 8.300 nan 0.000 0.481 28 S N 0.289 115.729 115.700 -0.433 0.000 2.400 28 S HA -0.280 4.193 4.470 0.006 0.000 0.232 28 S C 2.261 176.645 174.600 -0.360 0.000 1.025 28 S CA 1.304 59.234 58.200 -0.449 0.000 0.993 28 S CB -0.875 62.199 63.200 -0.210 0.000 0.808 28 S HN 0.588 nan 8.310 nan 0.000 0.478 29 R N -0.516 119.849 120.500 -0.226 0.000 2.066 29 R HA -0.085 4.259 4.340 0.006 0.000 0.232 29 R C 2.267 178.513 176.300 -0.089 0.000 1.131 29 R CA 1.385 57.414 56.100 -0.119 0.000 0.955 29 R CB -0.554 29.716 30.300 -0.049 0.000 0.851 29 R HN 0.510 nan 8.270 nan 0.000 0.432 30 Y N 1.043 121.203 120.300 -0.234 0.000 2.274 30 Y HA -0.183 4.370 4.550 0.006 0.000 0.290 30 Y C 2.006 177.778 175.900 -0.214 0.000 1.145 30 Y CA 1.162 59.182 58.100 -0.133 0.000 1.203 30 Y CB -0.010 38.433 38.460 -0.029 0.000 0.984 30 Y HN 0.064 nan 8.280 nan 0.000 0.533 31 I N -0.232 120.059 120.570 -0.465 0.000 2.179 31 I HA -0.286 3.888 4.170 0.006 0.000 0.242 31 I C 2.612 178.557 176.117 -0.288 0.000 1.088 31 I CA 1.552 62.565 61.300 -0.477 0.000 1.357 31 I CB -1.877 35.705 38.000 -0.697 0.000 1.051 31 I HN 0.258 nan 8.210 nan 0.000 0.409 32 A N -0.115 122.559 122.820 -0.244 0.000 1.972 32 A HA -0.278 4.046 4.320 0.006 0.000 0.219 32 A C 2.348 179.842 177.584 -0.150 0.000 1.169 32 A CA 1.520 53.464 52.037 -0.155 0.000 0.635 32 A CB -1.014 17.918 19.000 -0.113 0.000 0.810 32 A HN 0.499 nan 8.150 nan 0.000 0.446 33 Y N 1.482 121.602 120.300 -0.300 0.000 2.133 33 Y HA -0.182 4.372 4.550 0.006 0.000 0.287 33 Y C 2.094 177.761 175.900 -0.389 0.000 1.134 33 Y CA 1.729 59.636 58.100 -0.321 0.000 1.133 33 Y CB -0.467 37.755 38.460 -0.396 0.000 0.987 33 Y HN 0.405 nan 8.280 nan 0.000 0.502 34 I N -1.405 118.638 120.570 -0.879 0.000 2.335 34 I HA -0.219 3.954 4.170 0.006 0.000 0.251 34 I C 1.734 177.589 176.117 -0.436 0.000 1.129 34 I CA 2.013 62.694 61.300 -1.031 0.000 1.402 34 I CB -0.647 36.649 38.000 -1.174 0.000 1.069 34 I HN 0.267 nan 8.210 nan 0.000 0.424 35 E N 1.781 121.832 120.200 -0.249 0.000 2.152 35 E HA -0.148 4.205 4.350 0.006 0.000 0.192 35 E C 2.423 178.979 176.600 -0.073 0.000 0.983 35 E CA 1.503 57.855 56.400 -0.080 0.000 0.818 35 E CB -0.099 29.470 29.700 -0.219 0.000 0.758 35 E HN 0.763 nan 8.360 nan 0.000 0.467 36 S N 0.822 116.404 115.700 -0.196 0.000 2.447 36 S HA -0.115 4.358 4.470 0.006 0.000 0.233 36 S C 1.716 176.239 174.600 -0.129 0.000 1.006 36 S CA 0.688 58.806 58.200 -0.137 0.000 0.957 36 S CB 0.058 63.178 63.200 -0.133 0.000 0.773 36 S HN 0.098 nan 8.310 nan 0.000 0.507 37 Q N 0.605 120.278 119.800 -0.212 0.000 2.320 37 Q HA 0.291 4.635 4.340 0.006 0.000 0.201 37 Q C 1.334 177.324 176.000 -0.016 0.000 0.910 37 Q CA 0.585 56.326 55.803 -0.104 0.000 0.946 37 Q CB 0.046 28.740 28.738 -0.075 0.000 1.062 37 Q HN 0.794 nan 8.270 nan 0.000 0.503 38 G N 0.733 109.533 108.800 -0.001 0.000 2.143 38 G HA2 -0.359 3.604 3.960 0.006 0.000 0.248 38 G HA3 -0.359 3.604 3.960 0.006 0.000 0.248 38 G C 1.006 175.749 174.900 -0.261 0.000 0.991 38 G CA 0.589 45.601 45.100 -0.145 0.000 0.689 38 G HN 0.474 nan 8.290 nan 0.000 0.522 39 A N 0.633 123.410 122.820 -0.072 0.000 1.933 39 A HA -0.051 4.273 4.320 0.006 0.000 0.218 39 A C 2.075 179.327 177.584 -0.553 0.000 1.175 39 A CA 2.191 54.181 52.037 -0.078 0.000 0.628 39 A CB -0.714 18.398 19.000 0.188 0.000 0.814 39 A HN 1.232 nan 8.150 nan 0.000 0.444 40 H N -0.613 117.879 119.070 -0.964 0.000 2.489 40 H HA -0.023 4.537 4.556 0.006 0.000 0.293 40 H C 1.621 176.597 175.328 -0.586 0.000 1.066 40 H CA 1.182 56.365 56.048 -1.441 0.000 1.305 40 H CB -0.471 28.730 29.762 -0.936 0.000 1.386 40 H HN 0.379 nan 8.280 nan 0.000 0.551 41 R N 1.074 121.102 120.500 -0.787 0.000 2.105 41 R HA 0.013 4.357 4.340 0.006 0.000 0.239 41 R C 2.376 178.567 176.300 -0.181 0.000 1.135 41 R CA 1.186 57.040 56.100 -0.409 0.000 0.967 41 R CB -0.670 29.419 30.300 -0.352 0.000 0.861 41 R HN 0.500 nan 8.270 nan 0.000 0.442 42 A N -0.297 122.428 122.820 -0.158 0.000 2.119 42 A HA 0.203 4.527 4.320 0.006 0.000 0.216 42 A C 1.694 179.322 177.584 0.074 0.000 1.152 42 A CA 1.251 53.283 52.037 -0.008 0.000 0.708 42 A CB -0.139 18.870 19.000 0.014 0.000 0.805 42 A HN 0.443 nan 8.150 nan 0.000 0.460 43 G N -1.977 106.849 108.800 0.044 0.000 2.234 43 G HA2 -0.209 3.755 3.960 0.006 0.000 0.260 43 G HA3 -0.209 3.755 3.960 0.006 0.000 0.260 43 G C 0.079 175.189 174.900 0.350 0.000 0.987 43 G CA 0.469 45.688 45.100 0.198 0.000 0.625 43 G HN 0.782 nan 8.290 nan 0.000 0.532 44 L N 0.015 121.416 121.223 0.297 0.000 2.482 44 L HA 0.747 5.091 4.340 0.006 0.000 0.263 44 L C -0.582 176.432 176.870 0.240 0.000 0.957 44 L CA -0.295 54.664 54.840 0.199 0.000 0.836 44 L CB 2.075 44.169 42.059 0.058 0.000 1.324 44 L HN 0.683 nan 8.230 nan 0.000 0.406 45 A N 3.771 126.728 122.820 0.228 0.000 2.539 45 A HA 0.644 4.968 4.320 0.006 0.000 0.296 45 A C -1.643 176.005 177.584 0.107 0.000 1.073 45 A CA -0.677 51.519 52.037 0.264 0.000 0.700 45 A CB 2.293 21.616 19.000 0.538 0.000 1.296 45 A HN 0.619 nan 8.150 nan 0.000 0.405 46 K N 1.069 121.539 120.400 0.117 0.000 2.207 46 K HA 0.706 5.030 4.320 0.006 0.000 0.255 46 K C -1.725 174.967 176.600 0.152 0.000 0.941 46 K CA -0.427 55.884 56.287 0.040 0.000 0.825 46 K CB 1.699 34.161 32.500 -0.062 0.000 1.119 46 K HN 0.438 nan 8.250 nan 0.000 0.430 47 V N 4.450 124.447 119.914 0.137 0.000 2.419 47 V HA 0.209 4.333 4.120 0.006 0.000 0.287 47 V C -0.699 175.373 176.094 -0.036 0.000 1.017 47 V CA -1.003 61.369 62.300 0.119 0.000 0.844 47 V CB 1.585 33.528 31.823 0.199 0.000 1.011 47 V HN 0.555 nan 8.190 nan 0.000 0.429 48 V N 8.235 127.987 119.914 -0.271 0.000 2.408 48 V HA 0.308 4.431 4.120 0.006 0.000 0.267 48 V C -1.703 174.187 176.094 -0.340 0.000 1.047 48 V CA -1.453 60.658 62.300 -0.314 0.000 0.937 48 V CB 1.426 32.919 31.823 -0.549 0.000 0.999 48 V HN 0.686 nan 8.190 nan 0.000 0.472 49 P HA 0.229 nan 4.420 nan 0.000 0.274 49 P C -2.613 174.366 177.300 -0.535 0.000 1.231 49 P CA -1.798 60.787 63.100 -0.858 0.000 0.790 49 P CB 0.235 31.372 31.700 -0.939 0.000 0.951 50 P HA -0.085 nan 4.420 nan 0.000 0.260 50 P C 1.089 178.338 177.300 -0.085 0.000 1.172 50 P CA 0.318 63.267 63.100 -0.251 0.000 0.760 50 P CB 0.426 31.989 31.700 -0.228 0.000 0.773 51 K N 3.208 123.598 120.400 -0.016 0.000 2.189 51 K HA -0.231 4.093 4.320 0.006 0.000 0.207 51 K C 0.703 177.334 176.600 0.053 0.000 1.046 51 K CA 2.044 58.350 56.287 0.031 0.000 0.928 51 K CB -0.561 31.959 32.500 0.033 0.000 0.720 51 K HN 0.387 nan 8.250 nan 0.000 0.458 52 E N -0.152 120.082 120.200 0.055 0.000 2.476 52 E HA 0.012 4.365 4.350 0.006 0.000 0.191 52 E C -0.150 176.503 176.600 0.088 0.000 1.064 52 E CA -0.124 56.310 56.400 0.057 0.000 0.866 52 E CB -0.319 29.409 29.700 0.047 0.000 0.952 52 E HN 0.455 nan 8.360 nan 0.000 0.492 53 W N 2.075 123.330 121.300 -0.075 0.000 2.315 53 W HA 0.448 5.111 4.660 0.006 0.000 0.316 53 W C -0.602 175.898 176.519 -0.031 0.000 1.211 53 W CA -0.514 56.797 57.345 -0.058 0.000 1.201 53 W CB 0.784 30.143 29.460 -0.168 0.000 1.184 53 W HN -0.349 nan 8.180 nan 0.000 0.544 54 K N 6.812 126.609 120.400 -1.005 0.000 2.525 54 K HA 0.236 4.560 4.320 0.006 0.000 0.254 54 K C -2.252 173.571 176.600 -1.294 0.000 0.934 54 K CA -1.580 54.125 56.287 -0.970 0.000 0.802 54 K CB 2.220 34.486 32.500 -0.391 0.000 1.295 54 K HN 0.315 nan 8.250 nan 0.000 0.433 55 P HA 0.138 nan 4.420 nan 0.000 0.267 55 P C -0.354 176.649 177.300 -0.495 0.000 1.289 55 P CA 0.106 62.678 63.100 -0.880 0.000 0.866 55 P CB 1.121 32.083 31.700 -1.230 0.000 1.309 56 R N -1.206 119.050 120.500 -0.407 0.000 2.629 56 R HA 0.590 4.934 4.340 0.006 0.000 0.266 56 R C 0.403 176.503 176.300 -0.333 0.000 1.051 56 R CA -0.230 55.657 56.100 -0.356 0.000 0.895 56 R CB 0.793 30.780 30.300 -0.521 0.000 1.246 56 R HN -0.236 nan 8.270 nan 0.000 0.459 57 A N 1.890 124.553 122.820 -0.261 0.000 1.845 57 A HA 0.071 4.395 4.320 0.006 0.000 0.215 57 A C 0.428 177.869 177.584 -0.239 0.000 1.195 57 A CA 1.723 53.643 52.037 -0.195 0.000 0.616 57 A CB -0.415 18.505 19.000 -0.134 0.000 0.832 57 A HN 0.906 nan 8.150 nan 0.000 0.443 58 S N -4.066 111.428 115.700 -0.342 0.000 2.587 58 S HA 0.569 5.042 4.470 0.006 0.000 0.269 58 S C -1.030 173.308 174.600 -0.436 0.000 1.154 58 S CA -0.559 57.453 58.200 -0.315 0.000 0.824 58 S CB 0.309 63.435 63.200 -0.122 0.000 1.118 58 S HN 0.321 nan 8.310 nan 0.000 0.462 59 Y N 1.052 121.292 120.300 -0.101 0.000 2.781 59 Y HA 0.334 4.888 4.550 0.006 0.000 0.326 59 Y C 0.556 176.375 175.900 -0.135 0.000 1.019 59 Y CA -0.826 57.197 58.100 -0.128 0.000 1.372 59 Y CB 0.058 38.358 38.460 -0.267 0.000 1.260 59 Y HN 0.683 nan 8.280 nan 0.000 0.546 60 D N -0.721 119.685 120.400 0.011 0.000 2.350 60 D HA -0.075 4.569 4.640 0.006 0.000 0.213 60 D C 0.531 176.838 176.300 0.012 0.000 1.031 60 D CA 0.635 54.636 54.000 0.002 0.000 0.861 60 D CB 0.104 40.897 40.800 -0.012 0.000 0.926 60 D HN 0.569 nan 8.370 nan 0.000 0.520 61 D N 1.353 121.764 120.400 0.019 0.000 2.271 61 D HA -0.067 4.577 4.640 0.006 0.000 0.206 61 D C 2.219 178.547 176.300 0.047 0.000 0.967 61 D CA 0.018 54.031 54.000 0.021 0.000 0.867 61 D CB -0.723 40.081 40.800 0.006 0.000 0.960 61 D HN 0.377 nan 8.370 nan 0.000 0.509 62 I N -2.042 118.582 120.570 0.091 0.000 3.334 62 I HA 0.033 4.207 4.170 0.006 0.000 0.282 62 I C 0.969 177.133 176.117 0.078 0.000 1.313 62 I CA 0.629 62.001 61.300 0.120 0.000 1.396 62 I CB -0.167 37.980 38.000 0.246 0.000 1.054 62 I HN -0.276 nan 8.210 nan 0.000 0.495 63 D N 2.262 122.695 120.400 0.056 0.000 2.309 63 D HA -0.175 4.469 4.640 0.006 0.000 0.212 63 D C 1.392 177.693 176.300 0.003 0.000 0.968 63 D CA 1.187 55.206 54.000 0.032 0.000 0.882 63 D CB 0.051 40.864 40.800 0.021 0.000 0.918 63 D HN 0.523 nan 8.370 nan 0.000 0.503 64 D N -0.820 119.583 120.400 0.005 0.000 2.240 64 D HA 0.012 4.655 4.640 0.006 0.000 0.206 64 D C 0.516 176.804 176.300 -0.020 0.000 0.963 64 D CA -0.188 53.808 54.000 -0.006 0.000 0.863 64 D CB 0.129 40.930 40.800 0.003 0.000 0.973 64 D HN 0.081 nan 8.370 nan 0.000 0.501 65 L N 1.382 122.596 121.223 -0.015 0.000 2.667 65 L HA -0.078 4.265 4.340 0.006 0.000 0.296 65 L C -0.499 176.325 176.870 -0.078 0.000 1.252 65 L CA 0.421 55.245 54.840 -0.026 0.000 0.891 65 L CB 0.409 42.470 42.059 0.004 0.000 1.141 65 L HN -0.188 nan 8.230 nan 0.000 0.501 66 V N 7.195 127.078 119.914 -0.051 0.000 2.465 66 V HA 0.273 4.397 4.120 0.006 0.000 0.279 66 V C 0.471 176.516 176.094 -0.082 0.000 1.045 66 V CA -0.342 61.919 62.300 -0.063 0.000 0.938 66 V CB 1.256 33.059 31.823 -0.034 0.000 0.986 66 V HN 0.548 nan 8.190 nan 0.000 0.467 67 I N 8.258 128.759 120.570 -0.115 0.000 2.313 67 I HA 0.247 4.421 4.170 0.006 0.000 0.286 67 I C -1.068 174.997 176.117 -0.086 0.000 1.091 67 I CA -1.587 59.638 61.300 -0.124 0.000 1.216 67 I CB 1.720 39.604 38.000 -0.193 0.000 1.434 67 I HN 0.525 nan 8.210 nan 0.000 0.487 68 P HA -0.136 nan 4.420 nan 0.000 0.218 68 P C 0.547 177.815 177.300 -0.054 0.000 1.149 68 P CA 1.006 64.074 63.100 -0.054 0.000 0.817 68 P CB 0.470 32.142 31.700 -0.047 0.000 0.785 69 A N 0.269 123.042 122.820 -0.079 0.000 3.297 69 A HA 0.450 4.773 4.320 0.006 0.000 0.304 69 A C -2.424 175.119 177.584 -0.068 0.000 0.963 69 A CA -1.484 50.514 52.037 -0.066 0.000 0.935 69 A CB -0.010 18.946 19.000 -0.073 0.000 1.093 69 A HN 0.088 nan 8.150 nan 0.000 0.480 70 P HA 0.360 nan 4.420 nan 0.000 0.270 70 P C -0.270 177.047 177.300 0.030 0.000 1.223 70 P CA 0.252 63.347 63.100 -0.009 0.000 0.785 70 P CB 0.990 32.716 31.700 0.043 0.000 0.923 71 I N -2.224 118.391 120.570 0.075 0.000 2.647 71 I HA 0.498 4.671 4.170 0.006 0.000 0.295 71 I C -0.732 175.457 176.117 0.119 0.000 1.078 71 I CA -1.397 59.956 61.300 0.089 0.000 1.048 71 I CB 2.470 40.526 38.000 0.092 0.000 1.239 71 I HN 0.216 nan 8.210 nan 0.000 0.421 72 Q N 4.358 124.211 119.800 0.088 0.000 2.278 72 Q HA 0.331 4.675 4.340 0.006 0.000 0.257 72 Q C -1.029 175.019 176.000 0.081 0.000 0.928 72 Q CA -0.512 55.337 55.803 0.076 0.000 0.932 72 Q CB 1.403 30.175 28.738 0.058 0.000 1.221 72 Q HN 0.670 nan 8.270 nan 0.000 0.434 73 Q N 3.956 123.795 119.800 0.065 0.000 2.490 73 Q HA 0.222 4.566 4.340 0.006 0.000 0.226 73 Q C -1.081 174.939 176.000 0.034 0.000 1.132 73 Q CA -0.430 55.401 55.803 0.045 0.000 0.928 73 Q CB 0.562 29.297 28.738 -0.005 0.000 1.299 73 Q HN 0.458 nan 8.270 nan 0.000 0.528 74 L N 2.759 124.030 121.223 0.080 0.000 2.290 74 L HA 0.271 4.614 4.340 0.006 0.000 0.284 74 L C -0.345 176.593 176.870 0.114 0.000 1.078 74 L CA -0.132 54.758 54.840 0.083 0.000 0.815 74 L CB 1.350 43.466 42.059 0.095 0.000 1.162 74 L HN 0.260 nan 8.230 nan 0.000 0.435 75 V N 2.157 122.096 119.914 0.042 0.000 2.495 75 V HA 0.579 4.703 4.120 0.006 0.000 0.298 75 V C 0.062 176.218 176.094 0.103 0.000 1.031 75 V CA -0.594 61.734 62.300 0.047 0.000 0.871 75 V CB 1.860 33.592 31.823 -0.151 0.000 0.988 75 V HN 0.767 nan 8.190 nan 0.000 0.432 76 T N 3.019 117.712 114.554 0.231 0.000 2.824 76 T HA 0.852 5.205 4.350 0.006 0.000 0.282 76 T C -0.168 174.721 174.700 0.314 0.000 0.993 76 T CA 0.446 62.683 62.100 0.229 0.000 0.967 76 T CB 1.102 70.098 68.868 0.213 0.000 0.960 76 T HN 1.441 nan 8.240 nan 0.000 0.441 77 G N 3.066 112.028 108.800 0.269 0.000 2.337 77 G HA2 0.507 4.470 3.960 0.006 0.000 0.298 77 G HA3 0.507 4.470 3.960 0.006 0.000 0.298 77 G C -1.984 172.873 174.900 -0.072 0.000 1.335 77 G CA -0.388 44.757 45.100 0.076 0.000 0.875 77 G HN 0.984 nan 8.290 nan 0.000 0.579 78 Q N -1.860 117.658 119.800 -0.470 0.000 2.633 78 Q HA 0.654 4.998 4.340 0.006 0.000 0.289 78 Q C -0.164 175.549 176.000 -0.478 0.000 0.940 78 Q CA -0.306 55.311 55.803 -0.310 0.000 0.785 78 Q CB 1.140 29.796 28.738 -0.136 0.000 1.467 78 Q HN 1.716 nan 8.270 nan 0.000 0.401 79 S N -0.175 115.368 115.700 -0.261 0.000 3.614 79 S HA -0.164 4.310 4.470 0.006 0.000 0.360 79 S C 0.962 175.357 174.600 -0.342 0.000 1.023 79 S CA 1.522 59.577 58.200 -0.241 0.000 1.114 79 S CB -1.920 61.140 63.200 -0.234 0.000 0.907 79 S HN 1.863 nan 8.310 nan 0.000 0.470 80 G N -0.780 107.827 108.800 -0.321 0.000 2.189 80 G HA2 -0.305 3.659 3.960 0.006 0.000 0.267 80 G HA3 -0.305 3.659 3.960 0.006 0.000 0.267 80 G C -0.095 174.555 174.900 -0.416 0.000 0.975 80 G CA 0.521 45.479 45.100 -0.237 0.000 0.644 80 G HN 0.783 nan 8.290 nan 0.000 0.537 81 L N -0.206 120.479 121.223 -0.897 0.000 2.349 81 L HA 0.803 5.146 4.340 0.006 0.000 0.278 81 L C -0.454 175.985 176.870 -0.719 0.000 0.996 81 L CA -1.012 53.489 54.840 -0.565 0.000 0.825 81 L CB 1.267 42.960 42.059 -0.611 0.000 1.243 81 L HN 0.030 nan 8.230 nan 0.000 0.412 82 F N -0.097 119.998 119.950 0.241 0.000 2.629 82 F HA 0.638 5.168 4.527 0.005 0.000 0.316 82 F C 0.078 175.978 175.800 0.167 0.000 1.081 82 F CA -0.826 57.287 58.000 0.189 0.000 0.954 82 F CB 2.319 41.376 39.000 0.096 0.000 1.337 82 F HN 0.114 nan 8.300 nan 0.000 0.474 83 T N 0.955 115.697 114.554 0.312 0.000 2.841 83 T HA 0.319 4.673 4.350 0.006 0.000 0.285 83 T C -1.150 173.580 174.700 0.049 0.000 0.991 83 T CA -0.675 61.471 62.100 0.077 0.000 0.966 83 T CB 1.579 70.476 68.868 0.048 0.000 0.962 83 T HN 0.548 nan 8.240 nan 0.000 0.438 84 Q N 2.598 122.348 119.800 -0.084 0.000 2.290 84 Q HA 0.428 4.772 4.340 0.006 0.000 0.259 84 Q C -1.557 174.327 176.000 -0.193 0.000 0.941 84 Q CA -0.652 55.121 55.803 -0.049 0.000 0.912 84 Q CB 0.765 29.483 28.738 -0.034 0.000 1.244 84 Q HN 0.634 nan 8.270 nan 0.000 0.441 85 Y N 2.515 122.835 120.300 0.034 0.000 2.335 85 Y HA 0.329 4.883 4.550 0.006 0.000 0.338 85 Y C -0.251 175.669 175.900 0.033 0.000 0.977 85 Y CA -0.980 57.141 58.100 0.035 0.000 1.114 85 Y CB 1.356 39.837 38.460 0.035 0.000 1.182 85 Y HN 0.554 nan 8.280 nan 0.000 0.463 86 N N 4.493 123.278 118.700 0.142 0.000 2.414 86 N HA 0.364 5.107 4.740 0.006 0.000 0.256 86 N C -0.810 174.764 175.510 0.107 0.000 1.029 86 N CA -0.184 52.931 53.050 0.109 0.000 0.948 86 N CB 1.032 39.566 38.487 0.079 0.000 1.102 86 N HN 0.576 nan 8.380 nan 0.000 0.496 87 I N 1.302 121.930 120.570 0.096 0.000 2.359 87 I HA 0.182 4.355 4.170 0.006 0.000 0.294 87 I C 0.716 176.868 176.117 0.059 0.000 0.987 87 I CA -0.652 60.693 61.300 0.074 0.000 1.225 87 I CB 1.389 39.428 38.000 0.066 0.000 1.366 87 I HN 0.221 nan 8.210 nan 0.000 0.466 88 Q N 6.054 125.882 119.800 0.046 0.000 2.261 88 Q HA 0.285 4.628 4.340 0.006 0.000 0.252 88 Q C -1.038 174.980 176.000 0.030 0.000 0.915 88 Q CA -0.566 55.258 55.803 0.034 0.000 0.915 88 Q CB 1.034 29.786 28.738 0.023 0.000 1.204 88 Q HN 0.396 nan 8.270 nan 0.000 0.421 89 K N 2.882 123.299 120.400 0.029 0.000 2.267 89 K HA 0.391 4.715 4.320 0.006 0.000 0.246 89 K C -0.685 175.925 176.600 0.017 0.000 0.954 89 K CA -0.822 55.481 56.287 0.027 0.000 0.824 89 K CB 1.412 33.933 32.500 0.035 0.000 1.167 89 K HN 0.536 nan 8.250 nan 0.000 0.431 90 K N 0.871 121.280 120.400 0.015 0.000 2.494 90 K HA 0.062 4.386 4.320 0.006 0.000 0.273 90 K C 0.451 177.054 176.600 0.006 0.000 0.970 90 K CA 0.048 56.340 56.287 0.009 0.000 0.963 90 K CB 0.265 32.771 32.500 0.010 0.000 0.913 90 K HN 0.741 nan 8.250 nan 0.000 0.502 91 A N 2.716 125.534 122.820 -0.003 0.000 2.521 91 A HA 0.201 4.525 4.320 0.006 0.000 0.237 91 A C 0.241 177.822 177.584 -0.005 0.000 1.087 91 A CA 0.521 52.551 52.037 -0.012 0.000 0.777 91 A CB -0.111 18.879 19.000 -0.017 0.000 1.035 91 A HN 0.804 nan 8.150 nan 0.000 0.510 92 M N -0.391 119.200 119.600 -0.015 0.000 2.732 92 M HA 0.593 5.077 4.480 0.006 0.000 0.272 92 M C -0.459 175.821 176.300 -0.035 0.000 1.203 92 M CA -0.302 54.996 55.300 -0.004 0.000 0.841 92 M CB 1.557 34.179 32.600 0.036 0.000 1.685 92 M HN 0.851 nan 8.290 nan 0.000 0.492 93 T N -1.021 113.517 114.554 -0.027 0.000 2.927 93 T HA 0.523 4.877 4.350 0.006 0.000 0.281 93 T C 0.939 175.602 174.700 -0.062 0.000 0.998 93 T CA -0.630 61.434 62.100 -0.059 0.000 1.019 93 T CB 1.514 70.362 68.868 -0.034 0.000 1.061 93 T HN 0.535 nan 8.240 nan 0.000 0.518 94 V N 1.351 121.184 119.914 -0.134 0.000 2.380 94 V HA -0.149 3.974 4.120 0.006 0.000 0.251 94 V C 3.001 179.121 176.094 0.043 0.000 1.063 94 V CA 2.118 64.353 62.300 -0.109 0.000 1.055 94 V CB -1.044 30.697 31.823 -0.137 0.000 0.657 94 V HN 0.901 nan 8.190 nan 0.000 0.455 95 R N -0.117 120.386 120.500 0.005 0.000 2.073 95 R HA -0.181 4.162 4.340 0.006 0.000 0.234 95 R C 2.389 178.682 176.300 -0.011 0.000 1.134 95 R CA 1.869 57.962 56.100 -0.011 0.000 0.952 95 R CB -0.181 30.110 30.300 -0.015 0.000 0.850 95 R HN 0.628 nan 8.270 nan 0.000 0.433 96 E N -0.703 119.504 120.200 0.013 0.000 2.110 96 E HA -0.220 4.134 4.350 0.006 0.000 0.193 96 E C 1.627 178.244 176.600 0.029 0.000 0.988 96 E CA 1.271 57.680 56.400 0.014 0.000 0.804 96 E CB -0.138 29.577 29.700 0.024 0.000 0.745 96 E HN 0.289 nan 8.360 nan 0.000 0.458 97 F N 1.572 121.485 119.950 -0.062 0.000 2.098 97 F HA -0.089 4.441 4.527 0.005 0.000 0.294 97 F C 2.500 178.271 175.800 -0.048 0.000 1.107 97 F CA 1.543 59.530 58.000 -0.022 0.000 1.234 97 F CB -0.003 39.007 39.000 0.016 0.000 1.002 97 F HN -0.232 nan 8.300 nan 0.000 0.472 98 R N 0.827 121.303 120.500 -0.041 0.000 2.105 98 R HA -0.156 4.188 4.340 0.006 0.000 0.239 98 R C 2.141 178.222 176.300 -0.364 0.000 1.135 98 R CA 1.493 57.272 56.100 -0.535 0.000 0.967 98 R CB -0.306 29.592 30.300 -0.671 0.000 0.861 98 R HN 0.043 nan 8.270 nan 0.000 0.442 99 K N 0.683 120.963 120.400 -0.201 0.000 2.009 99 K HA -0.118 4.206 4.320 0.006 0.000 0.210 99 K C 2.083 178.613 176.600 -0.115 0.000 1.049 99 K CA 1.868 58.077 56.287 -0.130 0.000 0.929 99 K CB -0.312 32.144 32.500 -0.074 0.000 0.714 99 K HN 0.362 nan 8.250 nan 0.000 0.440 100 I N 0.628 121.107 120.570 -0.151 0.000 2.439 100 I HA -0.182 3.992 4.170 0.006 0.000 0.251 100 I C 2.355 178.402 176.117 -0.117 0.000 1.139 100 I CA 0.816 62.045 61.300 -0.118 0.000 1.438 100 I CB -0.340 37.526 38.000 -0.223 0.000 1.085 100 I HN 0.014 nan 8.210 nan 0.000 0.427 101 A N 0.966 123.621 122.820 -0.275 0.000 1.969 101 A HA -0.141 4.183 4.320 0.006 0.000 0.218 101 A C 1.994 179.588 177.584 0.017 0.000 1.169 101 A CA 1.511 53.456 52.037 -0.154 0.000 0.635 101 A CB -0.410 18.476 19.000 -0.190 0.000 0.810 101 A HN 0.398 nan 8.150 nan 0.000 0.445 102 N N 0.304 118.973 118.700 -0.053 0.000 2.392 102 N HA -0.005 4.738 4.740 0.006 0.000 0.177 102 N C 0.837 176.359 175.510 0.020 0.000 1.066 102 N CA 0.777 53.823 53.050 -0.007 0.000 0.895 102 N CB -0.139 38.308 38.487 -0.067 0.000 0.988 102 N HN 0.552 nan 8.380 nan 0.000 0.457 103 S N 0.936 116.654 115.700 0.030 0.000 2.559 103 S HA -0.028 4.445 4.470 0.006 0.000 0.282 103 S C 0.603 175.230 174.600 0.045 0.000 1.336 103 S CA -0.103 58.123 58.200 0.044 0.000 1.037 103 S CB 0.665 63.916 63.200 0.085 0.000 0.853 103 S HN 0.051 nan 8.310 nan 0.000 0.523 104 D N 0.932 121.340 120.400 0.012 0.000 2.309 104 D HA -0.028 4.615 4.640 0.006 0.000 0.212 104 D C 1.648 177.926 176.300 -0.038 0.000 0.968 104 D CA 1.079 55.074 54.000 -0.009 0.000 0.882 104 D CB -0.074 40.715 40.800 -0.020 0.000 0.918 104 D HN 0.672 nan 8.370 nan 0.000 0.503 105 K N -0.149 120.212 120.400 -0.065 0.000 2.076 105 K HA -0.058 4.265 4.320 0.006 0.000 0.204 105 K C 0.659 177.027 176.600 -0.386 0.000 1.051 105 K CA 1.120 57.262 56.287 -0.242 0.000 0.949 105 K CB -0.117 32.201 32.500 -0.304 0.000 0.726 105 K HN 0.226 nan 8.250 nan 0.000 0.443 106 Y N -0.332 120.003 120.300 0.058 0.000 2.531 106 Y HA 0.255 4.808 4.550 0.006 0.000 0.249 106 Y C 0.472 176.471 175.900 0.165 0.000 1.168 106 Y CA -0.819 57.349 58.100 0.112 0.000 1.226 106 Y CB 0.046 38.539 38.460 0.055 0.000 1.177 106 Y HN 0.063 nan 8.280 nan 0.000 0.527 107 C N 1.673 121.083 119.300 0.184 0.000 2.703 107 C HA 0.184 4.648 4.460 0.006 0.000 0.411 107 C C 1.086 176.098 174.990 0.036 0.000 1.290 107 C CA 0.120 59.211 59.018 0.121 0.000 2.054 107 C CB -0.018 27.748 27.740 0.043 0.000 2.732 107 C HN 0.410 nan 8.230 nan 0.000 0.650 108 T N 7.929 122.466 114.554 -0.027 0.000 2.888 108 T HA 0.278 4.632 4.350 0.006 0.000 0.301 108 T C -1.848 172.608 174.700 -0.407 0.000 1.001 108 T CA -0.033 61.849 62.100 -0.362 0.000 1.147 108 T CB 0.487 69.279 68.868 -0.125 0.000 0.931 108 T HN 0.771 nan 8.240 nan 0.000 0.541 109 P HA 0.241 nan 4.420 nan 0.000 0.275 109 P C -0.339 176.874 177.300 -0.144 0.000 1.266 109 P CA -0.792 62.103 63.100 -0.341 0.000 0.793 109 P CB 0.658 32.139 31.700 -0.365 0.000 1.074 110 R N 1.123 121.589 120.500 -0.055 0.000 2.528 110 R HA 0.425 4.769 4.340 0.006 0.000 0.271 110 R C -0.567 175.795 176.300 0.103 0.000 1.056 110 R CA -0.498 55.595 56.100 -0.012 0.000 1.117 110 R CB -0.599 29.670 30.300 -0.051 0.000 1.085 110 R HN 0.762 nan 8.270 nan 0.000 0.530 111 Y N -3.594 116.654 120.300 -0.086 0.000 2.810 111 Y HA 0.350 4.904 4.550 0.006 0.000 0.355 111 Y C -0.250 175.638 175.900 -0.020 0.000 1.211 111 Y CA -0.465 57.598 58.100 -0.061 0.000 1.112 111 Y CB 0.260 38.662 38.460 -0.096 0.000 1.383 111 Y HN 0.576 nan 8.280 nan 0.000 0.458 112 S N 0.071 115.791 115.700 0.034 0.000 2.432 112 S HA 0.190 4.664 4.470 0.006 0.000 0.203 112 S C -0.071 174.609 174.600 0.134 0.000 0.987 112 S CA 0.581 58.771 58.200 -0.016 0.000 0.908 112 S CB -0.447 62.779 63.200 0.043 0.000 0.883 112 S HN 0.760 nan 8.310 nan 0.000 0.577 113 E N 0.224 120.583 120.200 0.265 0.000 2.222 113 E HA 0.291 4.644 4.350 0.006 0.000 0.272 113 E C 0.438 177.278 176.600 0.399 0.000 0.982 113 E CA -0.690 55.900 56.400 0.317 0.000 0.842 113 E CB 0.635 30.471 29.700 0.225 0.000 1.144 113 E HN 0.362 nan 8.360 nan 0.000 0.397 114 F N 2.010 122.125 119.950 0.276 0.000 2.115 114 F HA -0.289 4.242 4.527 0.006 0.000 0.300 114 F C 2.019 177.910 175.800 0.152 0.000 1.092 114 F CA 2.390 60.500 58.000 0.183 0.000 1.245 114 F CB 0.013 39.134 39.000 0.201 0.000 0.995 114 F HN 0.759 nan 8.300 nan 0.000 0.481 115 E N -0.007 120.339 120.200 0.242 0.000 2.147 115 E HA -0.346 4.008 4.350 0.006 0.000 0.199 115 E C 2.211 178.820 176.600 0.015 0.000 1.005 115 E CA 1.719 58.214 56.400 0.157 0.000 0.810 115 E CB -0.331 29.506 29.700 0.227 0.000 0.736 115 E HN 0.770 nan 8.360 nan 0.000 0.460 116 E N 0.049 120.265 120.200 0.026 0.000 2.122 116 E HA -0.127 4.226 4.350 0.006 0.000 0.190 116 E C 2.273 178.803 176.600 -0.117 0.000 0.977 116 E CA 0.235 56.646 56.400 0.018 0.000 0.820 116 E CB -0.073 29.694 29.700 0.112 0.000 0.770 116 E HN 0.280 nan 8.360 nan 0.000 0.462 117 L N 1.346 122.354 121.223 -0.358 0.000 2.131 117 L HA -0.152 4.192 4.340 0.006 0.000 0.210 117 L C 2.336 178.996 176.870 -0.351 0.000 1.092 117 L CA 1.808 56.277 54.840 -0.618 0.000 0.759 117 L CB -0.435 40.863 42.059 -1.268 0.000 0.903 117 L HN 0.347 nan 8.230 nan 0.000 0.435 118 E N -0.177 119.765 120.200 -0.430 0.000 2.072 118 E HA -0.235 4.118 4.350 0.006 0.000 0.190 118 E C 2.243 178.902 176.600 0.098 0.000 0.982 118 E CA 0.731 57.022 56.400 -0.182 0.000 0.803 118 E CB 0.041 29.602 29.700 -0.231 0.000 0.755 118 E HN 0.381 nan 8.360 nan 0.000 0.453 119 R N 0.333 120.880 120.500 0.078 0.000 2.096 119 R HA -0.087 4.257 4.340 0.006 0.000 0.235 119 R C 2.399 178.760 176.300 0.101 0.000 1.127 119 R CA 1.426 57.614 56.100 0.146 0.000 0.968 119 R CB -0.011 30.351 30.300 0.103 0.000 0.861 119 R HN 0.088 nan 8.270 nan 0.000 0.440 120 K N -0.578 119.850 120.400 0.048 0.000 2.097 120 K HA -0.187 4.137 4.320 0.006 0.000 0.205 120 K C 1.919 178.536 176.600 0.028 0.000 1.050 120 K CA 1.218 57.550 56.287 0.074 0.000 0.938 120 K CB -0.220 32.333 32.500 0.088 0.000 0.718 120 K HN 0.176 nan 8.250 nan 0.000 0.442 121 Y N 0.290 120.447 120.300 -0.238 0.000 2.070 121 Y HA -0.264 4.289 4.550 0.006 0.000 0.280 121 Y C 1.565 177.032 175.900 -0.722 0.000 1.148 121 Y CA 1.622 59.262 58.100 -0.767 0.000 1.125 121 Y CB -0.592 36.922 38.460 -1.577 0.000 0.975 121 Y HN 0.066 nan 8.280 nan 0.000 0.492 122 W N 1.059 122.105 121.300 -0.424 0.000 2.611 122 W HA -0.040 4.624 4.660 0.006 0.000 0.251 122 W C 2.493 178.817 176.519 -0.325 0.000 1.265 122 W CA 1.142 58.232 57.345 -0.425 0.000 1.295 122 W CB -0.073 29.331 29.460 -0.095 0.000 1.129 122 W HN 0.056 nan 8.180 nan 0.000 0.630 123 K N 0.269 120.624 120.400 -0.076 0.000 2.166 123 K HA -0.031 4.293 4.320 0.006 0.000 0.201 123 K C 1.047 177.560 176.600 -0.145 0.000 1.052 123 K CA 1.041 57.315 56.287 -0.022 0.000 0.969 123 K CB -0.054 32.486 32.500 0.068 0.000 0.761 123 K HN 0.023 nan 8.250 nan 0.000 0.459 124 N N 1.608 120.162 118.700 -0.244 0.000 2.187 124 N HA 0.021 4.765 4.740 0.006 0.000 0.212 124 N C 1.466 176.629 175.510 -0.578 0.000 1.152 124 N CA 0.086 52.979 53.050 -0.261 0.000 0.872 124 N CB 0.609 39.156 38.487 0.100 0.000 1.025 124 N HN 0.292 nan 8.380 nan 0.000 0.514 125 L N -0.330 120.371 121.223 -0.871 0.000 2.265 125 L HA 0.013 4.357 4.340 0.006 0.000 0.215 125 L C 1.828 178.280 176.870 -0.696 0.000 1.117 125 L CA 1.480 55.746 54.840 -0.957 0.000 0.782 125 L CB -0.962 40.245 42.059 -1.420 0.000 0.914 125 L HN -0.029 nan 8.230 nan 0.000 0.441 126 T N -3.343 110.755 114.554 -0.759 0.000 3.107 126 T HA 0.244 4.598 4.350 0.006 0.000 0.249 126 T C 0.366 174.856 174.700 -0.350 0.000 1.096 126 T CA -0.380 61.407 62.100 -0.522 0.000 1.012 126 T CB -0.558 68.041 68.868 -0.447 0.000 0.977 126 T HN 0.300 nan 8.240 nan 0.000 0.527 127 F N 1.213 121.091 119.950 -0.120 0.000 2.470 127 F HA 0.501 5.031 4.527 0.006 0.000 0.329 127 F C 0.693 176.457 175.800 -0.060 0.000 1.072 127 F CA -1.393 56.565 58.000 -0.069 0.000 0.989 127 F CB 0.860 39.824 39.000 -0.060 0.000 1.193 127 F HN -0.064 nan 8.300 nan 0.000 0.481 128 N N 0.814 119.623 118.700 0.181 0.000 2.696 128 N HA -0.141 4.602 4.740 0.006 0.000 0.256 128 N C -2.787 172.835 175.510 0.187 0.000 1.031 128 N CA -0.139 52.984 53.050 0.122 0.000 0.730 128 N CB -1.080 37.437 38.487 0.050 0.000 0.894 128 N HN 0.184 nan 8.380 nan 0.000 0.544 129 P HA -0.044 nan 4.420 nan 0.000 0.249 129 P C -2.177 175.225 177.300 0.170 0.000 1.140 129 P CA -0.205 62.963 63.100 0.113 0.000 0.803 129 P CB 0.211 31.967 31.700 0.094 0.000 0.745 130 P HA 0.230 nan 4.420 nan 0.000 0.277 130 P C -0.447 176.834 177.300 -0.031 0.000 1.271 130 P CA -0.157 62.952 63.100 0.015 0.000 0.795 130 P CB 0.875 32.590 31.700 0.025 0.000 1.101 131 I N 0.341 120.872 120.570 -0.065 0.000 2.441 131 I HA 0.294 4.468 4.170 0.006 0.000 0.295 131 I C -0.386 175.994 176.117 0.439 0.000 0.994 131 I CA -0.632 60.741 61.300 0.121 0.000 1.144 131 I CB 0.996 39.034 38.000 0.063 0.000 1.314 131 I HN 0.236 nan 8.210 nan 0.000 0.445 132 Y N 4.291 124.743 120.300 0.252 0.000 2.331 132 Y HA 0.640 5.194 4.550 0.006 0.000 0.334 132 Y C 0.513 176.481 175.900 0.113 0.000 0.960 132 Y CA -1.779 56.473 58.100 0.253 0.000 1.130 132 Y CB 2.008 40.554 38.460 0.144 0.000 1.164 132 Y HN 0.606 nan 8.280 nan 0.000 0.458 133 G N 4.812 113.493 108.800 -0.198 0.000 3.209 133 G HA2 0.509 4.472 3.960 0.006 0.000 0.274 133 G HA3 0.509 4.472 3.960 0.006 0.000 0.274 133 G C -0.286 174.290 174.900 -0.540 0.000 0.850 133 G CA 0.108 44.976 45.100 -0.388 0.000 1.907 133 G HN 0.800 nan 8.290 nan 0.000 0.591 134 A N 1.636 124.080 122.820 -0.627 0.000 2.269 134 A HA 0.636 4.959 4.320 0.006 0.000 0.319 134 A C 0.633 177.701 177.584 -0.861 0.000 1.110 134 A CA -0.447 51.060 52.037 -0.884 0.000 0.847 134 A CB 0.528 19.136 19.000 -0.653 0.000 1.161 134 A HN 0.577 nan 8.150 nan 0.000 0.497 135 D N -0.684 118.872 120.400 -1.406 0.000 2.689 135 D HA -0.126 4.517 4.640 0.006 0.000 0.237 135 D C -0.474 175.054 176.300 -1.288 0.000 1.148 135 D CA 0.961 54.015 54.000 -1.577 0.000 0.656 135 D CB -1.701 38.515 40.800 -0.973 0.000 1.050 135 D HN 0.261 nan 8.370 nan 0.000 0.426 136 V N 1.457 120.831 119.914 -0.901 0.000 2.408 136 V HA 0.073 4.196 4.120 0.006 0.000 0.267 136 V C 1.007 176.958 176.094 -0.239 0.000 1.047 136 V CA -0.764 61.277 62.300 -0.432 0.000 0.937 136 V CB 1.245 32.957 31.823 -0.185 0.000 0.999 136 V HN 0.148 nan 8.190 nan 0.000 0.472 137 N N 4.076 122.728 118.700 -0.079 0.000 2.454 137 N HA 0.421 5.164 4.740 0.006 0.000 0.260 137 N C 0.453 176.020 175.510 0.095 0.000 1.218 137 N CA 1.141 54.273 53.050 0.136 0.000 0.904 137 N CB 1.381 39.946 38.487 0.131 0.000 1.065 137 N HN 1.055 nan 8.380 nan 0.000 0.462 138 G N -0.175 108.700 108.800 0.125 0.000 2.361 138 G HA2 0.095 4.059 3.960 0.006 0.000 0.331 138 G HA3 0.095 4.059 3.960 0.006 0.000 0.331 138 G C -1.278 173.697 174.900 0.125 0.000 1.324 138 G CA -0.662 44.500 45.100 0.103 0.000 0.984 138 G HN 0.597 nan 8.290 nan 0.000 0.586 139 T N -1.228 113.405 114.554 0.132 0.000 2.896 139 T HA 0.668 5.021 4.350 0.006 0.000 0.297 139 T C 0.310 175.123 174.700 0.189 0.000 1.108 139 T CA -0.498 61.716 62.100 0.190 0.000 1.004 139 T CB 1.515 70.487 68.868 0.174 0.000 1.159 139 T HN 0.803 nan 8.240 nan 0.000 0.499 140 L N 1.915 123.282 121.223 0.240 0.000 2.906 140 L HA 0.407 4.750 4.340 0.006 0.000 0.255 140 L C -0.484 176.448 176.870 0.103 0.000 1.166 140 L CA -0.388 54.498 54.840 0.076 0.000 0.977 140 L CB 0.218 42.136 42.059 -0.236 0.000 1.313 140 L HN 0.589 nan 8.230 nan 0.000 0.549 141 Y N 1.447 121.808 120.300 0.101 0.000 2.336 141 Y HA 0.103 4.657 4.550 0.006 0.000 0.331 141 Y C 0.907 176.797 175.900 -0.017 0.000 1.211 141 Y CA -0.273 57.867 58.100 0.067 0.000 1.346 141 Y CB 0.539 39.052 38.460 0.088 0.000 1.271 141 Y HN 0.034 nan 8.280 nan 0.000 0.538 142 E N 2.453 122.662 120.200 0.015 0.000 2.313 142 E HA 0.047 4.401 4.350 0.006 0.000 0.276 142 E C 0.732 177.317 176.600 -0.024 0.000 1.031 142 E CA -0.401 55.987 56.400 -0.019 0.000 0.857 142 E CB 0.950 30.615 29.700 -0.059 0.000 1.040 142 E HN 0.617 nan 8.360 nan 0.000 0.408 143 K N 1.468 121.914 120.400 0.076 0.000 2.242 143 K HA -0.233 4.090 4.320 0.006 0.000 0.206 143 K C 1.750 178.398 176.600 0.081 0.000 1.045 143 K CA 1.535 57.871 56.287 0.081 0.000 0.930 143 K CB -0.129 32.429 32.500 0.098 0.000 0.726 143 K HN 0.580 nan 8.250 nan 0.000 0.462 144 H N -1.555 117.541 119.070 0.044 0.000 2.563 144 H HA 0.095 4.654 4.556 0.006 0.000 0.264 144 H C 0.183 175.555 175.328 0.073 0.000 0.957 144 H CA -0.111 55.963 56.048 0.043 0.000 1.173 144 H CB -0.402 29.373 29.762 0.021 0.000 1.420 144 H HN -0.181 nan 8.280 nan 0.000 0.551 145 V N 3.738 123.434 119.914 -0.363 0.000 2.446 145 V HA -0.046 4.078 4.120 0.006 0.000 0.276 145 V C 0.497 176.647 176.094 0.093 0.000 1.030 145 V CA 0.353 62.599 62.300 -0.091 0.000 1.033 145 V CB 0.962 32.791 31.823 0.011 0.000 0.993 145 V HN 0.391 nan 8.190 nan 0.000 0.477 146 D N 2.743 123.224 120.400 0.134 0.000 2.398 146 D HA 0.107 4.751 4.640 0.006 0.000 0.210 146 D C 0.263 176.616 176.300 0.089 0.000 1.094 146 D CA 0.073 54.124 54.000 0.085 0.000 0.839 146 D CB 0.863 41.700 40.800 0.062 0.000 0.963 146 D HN 0.628 nan 8.370 nan 0.000 0.506 147 E N 0.025 120.362 120.200 0.228 0.000 2.174 147 E HA 0.186 4.540 4.350 0.006 0.000 0.282 147 E C -0.504 176.179 176.600 0.139 0.000 0.992 147 E CA -0.673 55.796 56.400 0.114 0.000 0.803 147 E CB 0.366 30.165 29.700 0.165 0.000 1.090 147 E HN -0.048 nan 8.360 nan 0.000 0.396 148 W N 1.550 122.531 121.300 -0.531 0.000 6.554 148 W HA -0.267 4.396 4.660 0.006 0.000 0.398 148 W C 0.020 176.343 176.519 -0.327 0.000 1.492 148 W CA 0.325 57.308 57.345 -0.603 0.000 1.078 148 W CB -1.556 27.367 29.460 -0.894 0.000 2.653 148 W HN 0.464 nan 8.180 nan 0.000 1.591 149 N N 1.586 120.152 118.700 -0.224 0.000 2.402 149 N HA 0.137 4.881 4.740 0.006 0.000 0.252 149 N C 1.192 176.297 175.510 -0.675 0.000 1.118 149 N CA 0.019 52.760 53.050 -0.515 0.000 0.945 149 N CB 0.248 38.581 38.487 -0.256 0.000 1.147 149 N HN 0.266 nan 8.380 nan 0.000 0.495 150 I N 2.064 122.119 120.570 -0.858 0.000 2.623 150 I HA -0.215 3.959 4.170 0.006 0.000 0.261 150 I C 1.962 177.860 176.117 -0.365 0.000 1.204 150 I CA 1.077 62.087 61.300 -0.483 0.000 1.444 150 I CB -0.067 37.801 38.000 -0.220 0.000 1.094 150 I HN 0.565 nan 8.210 nan 0.000 0.451 151 G N 1.210 109.781 108.800 -0.381 0.000 2.623 151 G HA2 -0.067 3.896 3.960 0.006 0.000 0.214 151 G HA3 -0.067 3.896 3.960 0.006 0.000 0.214 151 G C 0.862 175.640 174.900 -0.203 0.000 1.138 151 G CA -0.134 44.836 45.100 -0.217 0.000 0.794 151 G HN 0.532 nan 8.290 nan 0.000 0.535 152 R N -0.390 119.951 120.500 -0.265 0.000 2.924 152 R HA 0.357 4.701 4.340 0.006 0.000 0.233 152 R C 0.077 176.186 176.300 -0.319 0.000 1.685 152 R CA -0.463 55.498 56.100 -0.232 0.000 1.462 152 R CB -0.597 29.609 30.300 -0.157 0.000 1.542 152 R HN 0.060 nan 8.270 nan 0.000 0.667 153 L N 0.967 121.932 121.223 -0.429 0.000 2.395 153 L HA 0.074 4.418 4.340 0.006 0.000 0.218 153 L C 0.151 176.770 176.870 -0.419 0.000 1.130 153 L CA 0.253 54.710 54.840 -0.639 0.000 0.826 153 L CB -0.242 41.224 42.059 -0.988 0.000 0.941 153 L HN 0.560 nan 8.230 nan 0.000 0.451 154 R N -0.365 119.978 120.500 -0.262 0.000 3.423 154 R HA -0.140 4.203 4.340 0.006 0.000 0.271 154 R C 0.249 176.479 176.300 -0.116 0.000 1.093 154 R CA 0.895 56.901 56.100 -0.155 0.000 0.730 154 R CB -2.911 27.311 30.300 -0.131 0.000 1.190 154 R HN 0.488 nan 8.270 nan 0.000 0.437 155 T N -2.722 111.763 114.554 -0.115 0.000 2.897 155 T HA 0.586 4.940 4.350 0.006 0.000 0.278 155 T C 1.692 176.399 174.700 0.012 0.000 0.981 155 T CA -0.585 61.481 62.100 -0.057 0.000 0.973 155 T CB 1.080 69.921 68.868 -0.044 0.000 1.092 155 T HN 0.386 nan 8.240 nan 0.000 0.543 156 I N -0.576 120.029 120.570 0.058 0.000 3.164 156 I HA 0.041 4.215 4.170 0.006 0.000 0.278 156 I C 1.883 178.173 176.117 0.288 0.000 1.320 156 I CA 0.691 62.107 61.300 0.193 0.000 1.422 156 I CB -0.499 37.621 38.000 0.201 0.000 1.066 156 I HN 0.465 nan 8.210 nan 0.000 0.503 157 L N 1.511 122.801 121.223 0.113 0.000 2.275 157 L HA -0.151 4.192 4.340 0.006 0.000 0.215 157 L C 1.637 178.580 176.870 0.121 0.000 1.119 157 L CA 1.686 56.572 54.840 0.077 0.000 0.790 157 L CB -0.623 41.364 42.059 -0.120 0.000 0.919 157 L HN 0.321 nan 8.230 nan 0.000 0.443 158 D N 0.205 120.647 120.400 0.070 0.000 2.265 158 D HA -0.206 4.438 4.640 0.006 0.000 0.208 158 D C 2.286 178.617 176.300 0.051 0.000 0.977 158 D CA 0.776 54.797 54.000 0.035 0.000 0.871 158 D CB -0.086 40.717 40.800 0.004 0.000 0.925 158 D HN 0.370 nan 8.370 nan 0.000 0.485 159 L N 0.250 121.529 121.223 0.092 0.000 2.187 159 L HA -0.168 4.176 4.340 0.006 0.000 0.213 159 L C 2.337 179.182 176.870 -0.041 0.000 1.100 159 L CA 0.458 55.290 54.840 -0.013 0.000 0.765 159 L CB -0.216 41.755 42.059 -0.145 0.000 0.904 159 L HN -0.011 nan 8.230 nan 0.000 0.437 160 V N 0.013 119.968 119.914 0.068 0.000 2.261 160 V HA -0.297 3.826 4.120 0.006 0.000 0.246 160 V C 2.521 178.634 176.094 0.032 0.000 1.047 160 V CA 2.170 64.518 62.300 0.080 0.000 1.015 160 V CB -0.432 31.479 31.823 0.147 0.000 0.642 160 V HN 0.484 nan 8.190 nan 0.000 0.446 161 E N 0.854 121.068 120.200 0.024 0.000 2.028 161 E HA -0.236 4.117 4.350 0.006 0.000 0.191 161 E C 2.077 178.674 176.600 -0.005 0.000 0.988 161 E CA 1.774 58.178 56.400 0.007 0.000 0.799 161 E CB -0.405 29.293 29.700 -0.002 0.000 0.755 161 E HN 0.400 nan 8.360 nan 0.000 0.447 162 K N 0.468 120.861 120.400 -0.011 0.000 2.020 162 K HA -0.222 4.102 4.320 0.006 0.000 0.212 162 K C 2.137 178.720 176.600 -0.029 0.000 1.050 162 K CA 1.995 58.269 56.287 -0.021 0.000 0.929 162 K CB -0.380 32.105 32.500 -0.025 0.000 0.714 162 K HN 0.179 nan 8.250 nan 0.000 0.443 163 E N -1.005 119.171 120.200 -0.040 0.000 2.285 163 E HA -0.038 4.316 4.350 0.006 0.000 0.194 163 E C 0.946 177.533 176.600 -0.022 0.000 0.997 163 E CA 1.162 57.534 56.400 -0.046 0.000 0.845 163 E CB 0.220 29.871 29.700 -0.083 0.000 0.782 163 E HN 0.348 nan 8.360 nan 0.000 0.491 164 S N -3.041 112.655 115.700 -0.007 0.000 2.744 164 S HA 0.321 4.795 4.470 0.006 0.000 0.265 164 S C 1.554 176.160 174.600 0.010 0.000 1.065 164 S CA 0.212 58.417 58.200 0.007 0.000 1.191 164 S CB 0.483 63.697 63.200 0.023 0.000 1.150 164 S HN 0.431 nan 8.310 nan 0.000 0.646 165 G N 1.936 110.739 108.800 0.006 0.000 2.184 165 G HA2 -0.258 3.706 3.960 0.006 0.000 0.264 165 G HA3 -0.258 3.706 3.960 0.006 0.000 0.264 165 G C 0.065 174.972 174.900 0.011 0.000 0.975 165 G CA 0.371 45.475 45.100 0.006 0.000 0.642 165 G HN 0.651 nan 8.290 nan 0.000 0.536 166 I N 1.964 122.545 120.570 0.019 0.000 2.533 166 I HA 0.243 4.417 4.170 0.006 0.000 0.284 166 I C 0.578 176.706 176.117 0.018 0.000 1.109 166 I CA 0.475 61.790 61.300 0.025 0.000 1.412 166 I CB 0.888 38.911 38.000 0.040 0.000 1.396 166 I HN -0.001 nan 8.210 nan 0.000 0.543 167 T N 7.798 122.359 114.554 0.012 0.000 2.794 167 T HA 0.564 4.918 4.350 0.006 0.000 0.280 167 T C -0.003 174.696 174.700 -0.002 0.000 0.987 167 T CA -0.310 61.790 62.100 -0.000 0.000 0.993 167 T CB 0.802 69.669 68.868 -0.002 0.000 0.939 167 T HN 0.296 nan 8.240 nan 0.000 0.449 168 I N 3.342 123.899 120.570 -0.021 0.000 2.502 168 I HA 0.221 4.395 4.170 0.006 0.000 0.276 168 I C 0.434 176.497 176.117 -0.091 0.000 1.057 168 I CA -0.663 60.620 61.300 -0.029 0.000 1.163 168 I CB 1.059 39.049 38.000 -0.017 0.000 1.288 168 I HN 0.548 nan 8.210 nan 0.000 0.479 169 E N 4.579 124.731 120.200 -0.080 0.000 2.694 169 E HA 0.011 4.365 4.350 0.006 0.000 0.250 169 E C 1.237 177.515 176.600 -0.537 0.000 0.963 169 E CA 1.134 57.432 56.400 -0.170 0.000 0.949 169 E CB 0.399 30.122 29.700 0.039 0.000 0.911 169 E HN 0.958 nan 8.360 nan 0.000 0.500 170 G N 1.871 110.080 108.800 -0.985 0.000 2.320 170 G HA2 -0.340 3.624 3.960 0.006 0.000 0.242 170 G HA3 -0.340 3.624 3.960 0.006 0.000 0.242 170 G C 0.911 175.518 174.900 -0.489 0.000 1.033 170 G CA 0.297 44.559 45.100 -1.397 0.000 0.620 170 G HN 0.431 nan 8.290 nan 0.000 0.517 171 V N 1.745 121.478 119.914 -0.301 0.000 2.391 171 V HA 0.107 4.231 4.120 0.006 0.000 0.237 171 V C 1.789 177.793 176.094 -0.150 0.000 1.046 171 V CA 2.117 64.317 62.300 -0.167 0.000 1.053 171 V CB -0.210 31.549 31.823 -0.106 0.000 0.704 171 V HN 0.715 nan 8.190 nan 0.000 0.475 172 N N 0.910 119.530 118.700 -0.133 0.000 2.328 172 N HA 0.091 4.835 4.740 0.006 0.000 0.247 172 N C -0.118 175.325 175.510 -0.111 0.000 1.165 172 N CA 0.337 53.322 53.050 -0.108 0.000 0.873 172 N CB 0.248 38.693 38.487 -0.069 0.000 1.125 172 N HN 0.593 nan 8.380 nan 0.000 0.513 173 T N -3.280 111.185 114.554 -0.148 0.000 2.894 173 T HA 0.534 4.888 4.350 0.006 0.000 0.309 173 T C -3.463 171.149 174.700 -0.146 0.000 1.208 173 T CA -1.577 60.447 62.100 -0.126 0.000 1.016 173 T CB 2.917 71.722 68.868 -0.105 0.000 1.192 173 T HN -0.110 nan 8.240 nan 0.000 0.491 174 P HA 0.300 nan 4.420 nan 0.000 0.278 174 P C -1.301 176.094 177.300 0.158 0.000 1.238 174 P CA -0.446 62.669 63.100 0.025 0.000 0.794 174 P CB 0.719 32.450 31.700 0.050 0.000 0.955 175 Y N 1.124 121.455 120.300 0.052 0.000 2.425 175 Y HA 0.422 4.976 4.550 0.006 0.000 0.344 175 Y C 0.191 176.085 175.900 -0.010 0.000 0.969 175 Y CA -1.320 56.771 58.100 -0.016 0.000 1.052 175 Y CB 2.323 40.791 38.460 0.012 0.000 1.215 175 Y HN 0.083 nan 8.280 nan 0.000 0.451 176 L N 4.077 125.239 121.223 -0.102 0.000 2.325 176 L HA 0.451 4.794 4.340 0.006 0.000 0.278 176 L C -1.550 174.933 176.870 -0.644 0.000 1.023 176 L CA -0.975 53.713 54.840 -0.254 0.000 0.811 176 L CB 1.431 43.322 42.059 -0.280 0.000 1.249 176 L HN 0.531 nan 8.230 nan 0.000 0.431 177 Y N 1.905 121.804 120.300 -0.668 0.000 2.326 177 Y HA 0.445 4.999 4.550 0.006 0.000 0.329 177 Y C -0.678 174.680 175.900 -0.904 0.000 0.973 177 Y CA -0.696 56.960 58.100 -0.740 0.000 1.162 177 Y CB 1.359 39.505 38.460 -0.523 0.000 1.147 177 Y HN 0.257 nan 8.280 nan 0.000 0.456 178 F N 2.207 121.883 119.950 -0.457 0.000 2.361 178 F HA 0.687 5.217 4.527 0.006 0.000 0.364 178 F C 0.815 176.542 175.800 -0.121 0.000 1.117 178 F CA -0.733 57.013 58.000 -0.422 0.000 1.071 178 F CB 1.314 39.875 39.000 -0.732 0.000 1.188 178 F HN 0.576 nan 8.300 nan 0.000 0.464 179 G N 3.465 112.497 108.800 0.387 0.000 2.537 179 G HA2 0.799 4.763 3.960 0.006 0.000 0.323 179 G HA3 0.799 4.763 3.960 0.006 0.000 0.323 179 G C -0.944 174.364 174.900 0.680 0.000 1.207 179 G CA -0.990 44.557 45.100 0.745 0.000 0.976 179 G HN 0.615 nan 8.290 nan 0.000 0.487 180 M N -0.782 119.135 119.600 0.529 0.000 2.846 180 M HA 0.553 5.036 4.480 0.006 0.000 0.282 180 M C -0.501 176.015 176.300 0.361 0.000 1.266 180 M CA -1.171 54.374 55.300 0.409 0.000 0.766 180 M CB 2.211 34.941 32.600 0.218 0.000 1.739 180 M HN 0.636 nan 8.290 nan 0.000 0.442 181 W N 2.441 123.855 121.300 0.190 0.000 2.293 181 W HA 0.064 4.728 4.660 0.007 0.000 0.342 181 W C -0.200 176.386 176.519 0.111 0.000 1.274 181 W CA 0.803 58.238 57.345 0.151 0.000 1.290 181 W CB 0.477 30.012 29.460 0.124 0.000 1.176 181 W HN 0.935 nan 8.180 nan 0.000 0.570 182 K N 0.940 120.798 120.400 -0.902 0.000 3.529 182 K HA -0.233 4.091 4.320 0.006 0.000 0.313 182 K C 0.534 176.895 176.600 -0.398 0.000 1.316 182 K CA 1.448 57.159 56.287 -0.960 0.000 0.988 182 K CB -1.889 29.916 32.500 -1.158 0.000 1.252 182 K HN 0.724 nan 8.250 nan 0.000 0.438 183 T N -0.094 114.309 114.554 -0.251 0.000 2.919 183 T HA 0.441 4.795 4.350 0.006 0.000 0.302 183 T C 0.291 174.765 174.700 -0.377 0.000 1.031 183 T CA 0.017 61.919 62.100 -0.330 0.000 1.127 183 T CB 1.682 70.284 68.868 -0.444 0.000 0.952 183 T HN 0.260 nan 8.240 nan 0.000 0.540 184 S N 1.132 116.598 115.700 -0.389 0.000 2.607 184 S HA 0.760 5.234 4.470 0.006 0.000 0.273 184 S C -0.992 173.505 174.600 -0.172 0.000 1.148 184 S CA -1.347 56.677 58.200 -0.293 0.000 0.833 184 S CB 1.161 64.222 63.200 -0.232 0.000 1.130 184 S HN 0.943 nan 8.310 nan 0.000 0.470 185 F N -0.053 119.728 119.950 -0.282 0.000 2.449 185 F HA 0.922 5.452 4.527 0.006 0.000 0.342 185 F C 0.250 175.948 175.800 -0.171 0.000 1.127 185 F CA -1.241 56.633 58.000 -0.210 0.000 0.975 185 F CB 0.618 39.486 39.000 -0.220 0.000 1.146 185 F HN 0.872 nan 8.300 nan 0.000 0.444 186 A N 3.082 125.877 122.820 -0.042 0.000 2.409 186 A HA 0.196 4.520 4.320 0.006 0.000 0.246 186 A C -0.706 176.929 177.584 0.084 0.000 1.099 186 A CA -0.514 51.507 52.037 -0.027 0.000 0.789 186 A CB 0.215 19.239 19.000 0.040 0.000 1.053 186 A HN 0.895 nan 8.150 nan 0.000 0.503 187 W N 1.729 123.111 121.300 0.136 0.000 2.322 187 W HA 0.415 5.079 4.660 0.006 0.000 0.328 187 W C 0.829 177.509 176.519 0.269 0.000 1.395 187 W CA 1.625 59.073 57.345 0.172 0.000 1.267 187 W CB 0.299 29.793 29.460 0.058 0.000 1.259 187 W HN 0.844 nan 8.180 nan 0.000 0.560 188 H N 0.223 119.478 119.070 0.309 0.000 2.935 188 H HA 0.409 4.969 4.556 0.007 0.000 0.297 188 H C -0.947 174.255 175.328 -0.209 0.000 1.423 188 H CA -0.863 55.265 56.048 0.134 0.000 1.161 188 H CB 0.521 30.296 29.762 0.021 0.000 1.841 188 H HN 0.244 nan 8.280 nan 0.000 0.506 189 T N -0.840 113.446 114.554 -0.447 0.000 2.949 189 T HA 0.416 4.769 4.350 0.006 0.000 0.287 189 T C 0.005 174.622 174.700 -0.139 0.000 1.034 189 T CA -0.981 60.821 62.100 -0.496 0.000 1.018 189 T CB 2.212 70.737 68.868 -0.573 0.000 1.135 189 T HN 0.510 nan 8.240 nan 0.000 0.532 190 E N 1.189 121.366 120.200 -0.039 0.000 2.409 190 E HA 0.136 4.489 4.350 0.006 0.000 0.257 190 E C -0.134 176.511 176.600 0.076 0.000 1.150 190 E CA -0.294 56.147 56.400 0.068 0.000 0.942 190 E CB 0.304 30.000 29.700 -0.006 0.000 0.979 190 E HN 0.612 nan 8.360 nan 0.000 0.447 191 D N 1.894 122.347 120.400 0.088 0.000 2.455 191 D HA -0.060 4.583 4.640 0.006 0.000 0.241 191 D C 0.944 177.307 176.300 0.104 0.000 1.138 191 D CA 0.420 54.477 54.000 0.094 0.000 0.877 191 D CB 0.454 41.300 40.800 0.077 0.000 1.187 191 D HN 0.253 nan 8.370 nan 0.000 0.451 192 M N 1.280 120.976 119.600 0.160 0.000 2.811 192 M HA -0.247 4.237 4.480 0.006 0.000 0.183 192 M C -0.312 176.200 176.300 0.355 0.000 0.618 192 M CA 0.630 56.084 55.300 0.257 0.000 0.633 192 M CB -1.878 30.912 32.600 0.317 0.000 2.305 192 M HN 0.513 nan 8.290 nan 0.000 0.472 193 D N -0.107 120.426 120.400 0.221 0.000 2.708 193 D HA -0.186 4.458 4.640 0.006 0.000 0.236 193 D C 0.283 176.689 176.300 0.177 0.000 1.146 193 D CA 0.845 54.961 54.000 0.194 0.000 0.662 193 D CB -1.223 39.745 40.800 0.279 0.000 1.059 193 D HN 0.523 nan 8.370 nan 0.000 0.428 194 L N -0.901 120.312 121.223 -0.017 0.000 2.543 194 L HA 0.271 4.614 4.340 0.006 0.000 0.231 194 L C 1.121 177.752 176.870 -0.399 0.000 1.194 194 L CA -0.543 54.066 54.840 -0.385 0.000 0.823 194 L CB 0.231 41.955 42.059 -0.559 0.000 1.374 194 L HN -0.066 nan 8.230 nan 0.000 0.507 195 Y N -0.639 119.213 120.300 -0.746 0.000 2.326 195 Y HA 0.364 4.917 4.550 0.006 0.000 0.324 195 Y C 0.494 175.879 175.900 -0.859 0.000 1.291 195 Y CA -0.280 57.237 58.100 -0.972 0.000 1.348 195 Y CB 1.491 38.777 38.460 -1.957 0.000 1.294 195 Y HN 0.491 nan 8.280 nan 0.000 0.525 196 S N 1.908 117.348 115.700 -0.432 0.000 2.569 196 S HA 0.725 5.199 4.470 0.006 0.000 0.280 196 S C -1.340 173.296 174.600 0.060 0.000 1.111 196 S CA -0.864 57.248 58.200 -0.148 0.000 0.887 196 S CB 1.771 64.944 63.200 -0.045 0.000 1.095 196 S HN 0.688 nan 8.310 nan 0.000 0.476 197 I N 2.091 122.782 120.570 0.202 0.000 2.545 197 I HA 0.561 4.734 4.170 0.006 0.000 0.292 197 I C -1.523 174.735 176.117 0.236 0.000 1.040 197 I CA -0.593 60.865 61.300 0.263 0.000 1.068 197 I CB 1.714 39.849 38.000 0.224 0.000 1.251 197 I HN 0.855 nan 8.210 nan 0.000 0.424 198 N N 6.527 125.395 118.700 0.279 0.000 2.430 198 N HA 0.232 4.976 4.740 0.006 0.000 0.290 198 N C -2.214 173.465 175.510 0.281 0.000 1.063 198 N CA -0.302 52.894 53.050 0.243 0.000 0.883 198 N CB 1.853 40.470 38.487 0.216 0.000 1.465 198 N HN 0.579 nan 8.380 nan 0.000 0.493 199 Y N 3.849 124.180 120.300 0.052 0.000 2.335 199 Y HA 0.471 5.025 4.550 0.006 0.000 0.338 199 Y C -0.957 174.747 175.900 -0.327 0.000 0.977 199 Y CA -0.993 56.943 58.100 -0.273 0.000 1.114 199 Y CB 0.997 39.237 38.460 -0.367 0.000 1.182 199 Y HN 0.443 nan 8.280 nan 0.000 0.463 200 L N 7.385 128.057 121.223 -0.919 0.000 2.302 200 L HA 0.252 4.596 4.340 0.006 0.000 0.285 200 L C 0.937 177.212 176.870 -0.992 0.000 1.090 200 L CA 0.323 54.727 54.840 -0.728 0.000 0.866 200 L CB -0.343 41.435 42.059 -0.467 0.000 1.244 200 L HN 0.820 nan 8.230 nan 0.000 0.435 201 H N 5.001 123.677 119.070 -0.656 0.000 2.319 201 H HA -0.044 4.515 4.556 0.006 0.000 0.299 201 H C -0.048 175.066 175.328 -0.356 0.000 1.092 201 H CA 2.049 57.851 56.048 -0.410 0.000 1.302 201 H CB 0.092 29.661 29.762 -0.322 0.000 1.373 201 H HN 0.612 nan 8.280 nan 0.000 0.497 202 F N -3.470 116.283 119.950 -0.328 0.000 2.842 202 F HA 0.494 5.025 4.527 0.006 0.000 0.319 202 F C 0.227 175.900 175.800 -0.211 0.000 1.159 202 F CA -0.404 57.436 58.000 -0.266 0.000 0.902 202 F CB 0.735 39.529 39.000 -0.344 0.000 1.311 202 F HN 0.344 nan 8.300 nan 0.000 0.453 203 G N 0.835 109.761 108.800 0.210 0.000 2.500 203 G HA2 0.196 4.160 3.960 0.006 0.000 0.209 203 G HA3 0.196 4.160 3.960 0.006 0.000 0.209 203 G C -1.235 173.717 174.900 0.086 0.000 1.283 203 G CA -0.470 44.724 45.100 0.156 0.000 0.960 203 G HN 0.878 nan 8.290 nan 0.000 0.528 204 E N 1.151 121.421 120.200 0.117 0.000 2.392 204 E HA 0.472 4.826 4.350 0.006 0.000 0.256 204 E C -1.889 174.708 176.600 -0.005 0.000 1.145 204 E CA -1.275 55.202 56.400 0.129 0.000 0.929 204 E CB 0.010 29.867 29.700 0.261 0.000 0.998 204 E HN 0.291 nan 8.360 nan 0.000 0.442 205 P HA 0.128 nan 4.420 nan 0.000 0.273 205 P C -0.601 176.434 177.300 -0.442 0.000 1.250 205 P CA -0.030 62.865 63.100 -0.342 0.000 0.793 205 P CB 0.518 31.921 31.700 -0.496 0.000 1.011 206 K N 0.803 121.006 120.400 -0.328 0.000 2.463 206 K HA 0.447 4.771 4.320 0.006 0.000 0.255 206 K C -1.034 175.431 176.600 -0.227 0.000 0.942 206 K CA -0.351 55.784 56.287 -0.254 0.000 0.814 206 K CB 0.844 33.264 32.500 -0.133 0.000 1.122 206 K HN 0.302 nan 8.250 nan 0.000 0.425 207 S N 2.942 118.375 115.700 -0.446 0.000 2.541 207 S HA 0.503 4.977 4.470 0.006 0.000 0.283 207 S C -1.343 172.985 174.600 -0.453 0.000 1.196 207 S CA -0.596 57.374 58.200 -0.383 0.000 1.062 207 S CB 0.400 63.298 63.200 -0.504 0.000 1.009 207 S HN 0.443 nan 8.310 nan 0.000 0.502 208 W N 1.386 122.458 121.300 -0.381 0.000 2.781 208 W HA 0.600 5.264 4.660 0.007 0.000 0.345 208 W C -1.094 175.228 176.519 -0.327 0.000 1.085 208 W CA -0.748 56.456 57.345 -0.235 0.000 1.198 208 W CB 0.609 30.069 29.460 0.001 0.000 1.423 208 W HN 0.538 nan 8.180 nan 0.000 0.532 209 Y N 1.151 121.580 120.300 0.216 0.000 2.446 209 Y HA 0.605 5.158 4.550 0.006 0.000 0.345 209 Y C 0.234 176.362 175.900 0.380 0.000 0.984 209 Y CA -0.913 57.346 58.100 0.266 0.000 1.058 209 Y CB 2.567 41.073 38.460 0.076 0.000 1.220 209 Y HN 0.265 nan 8.280 nan 0.000 0.455 210 S N 1.668 117.804 115.700 0.726 0.000 2.536 210 S HA 0.721 5.195 4.470 0.006 0.000 0.271 210 S C -1.905 173.073 174.600 0.630 0.000 1.134 210 S CA -0.579 58.020 58.200 0.664 0.000 0.897 210 S CB 1.159 64.624 63.200 0.442 0.000 1.094 210 S HN 0.377 nan 8.310 nan 0.000 0.473 211 V N 5.615 125.864 119.914 0.559 0.000 2.417 211 V HA 0.493 4.617 4.120 0.006 0.000 0.291 211 V C -2.327 173.927 176.094 0.268 0.000 1.024 211 V CA -2.067 60.452 62.300 0.364 0.000 0.861 211 V CB 1.703 33.653 31.823 0.210 0.000 0.985 211 V HN 0.729 nan 8.190 nan 0.000 0.436 212 P HA 0.112 nan 4.420 nan 0.000 0.265 212 P C -2.109 175.234 177.300 0.071 0.000 1.193 212 P CA -0.839 62.347 63.100 0.144 0.000 0.765 212 P CB 0.235 32.047 31.700 0.185 0.000 0.823 213 P HA -0.220 nan 4.420 nan 0.000 0.217 213 P C 1.356 178.486 177.300 -0.284 0.000 1.148 213 P CA 1.342 64.389 63.100 -0.089 0.000 0.828 213 P CB -0.086 31.594 31.700 -0.032 0.000 0.783 214 E N -1.282 118.767 120.200 -0.252 0.000 2.209 214 E HA -0.227 4.127 4.350 0.006 0.000 0.196 214 E C 0.788 177.158 176.600 -0.384 0.000 0.993 214 E CA 0.991 57.219 56.400 -0.286 0.000 0.819 214 E CB -0.106 29.416 29.700 -0.297 0.000 0.745 214 E HN 0.414 nan 8.360 nan 0.000 0.477 215 H N -1.972 117.119 119.070 0.036 0.000 2.674 215 H HA 0.187 4.747 4.556 0.006 0.000 0.274 215 H C 1.482 176.842 175.328 0.053 0.000 1.121 215 H CA 0.475 56.554 56.048 0.051 0.000 1.132 215 H CB 0.841 30.625 29.762 0.037 0.000 1.606 215 H HN 0.230 nan 8.280 nan 0.000 0.558 216 G N 1.598 110.493 108.800 0.159 0.000 2.476 216 G HA2 -0.316 3.648 3.960 0.006 0.000 0.218 216 G HA3 -0.316 3.648 3.960 0.006 0.000 0.218 216 G C 1.809 176.815 174.900 0.177 0.000 1.164 216 G CA 0.705 45.884 45.100 0.132 0.000 0.768 216 G HN 0.194 nan 8.290 nan 0.000 0.560 217 K N -0.094 120.483 120.400 0.296 0.000 2.209 217 K HA 0.058 4.382 4.320 0.006 0.000 0.204 217 K C 2.463 179.101 176.600 0.063 0.000 1.048 217 K CA 0.652 57.059 56.287 0.200 0.000 0.940 217 K CB -0.173 32.436 32.500 0.181 0.000 0.729 217 K HN 0.238 nan 8.250 nan 0.000 0.451 218 R N 0.067 120.601 120.500 0.055 0.000 2.115 218 R HA -0.025 4.319 4.340 0.006 0.000 0.230 218 R C 1.993 178.229 176.300 -0.107 0.000 1.111 218 R CA 0.796 56.894 56.100 -0.003 0.000 0.976 218 R CB -0.175 30.148 30.300 0.039 0.000 0.870 218 R HN 0.198 nan 8.270 nan 0.000 0.445 219 L N 1.325 122.443 121.223 -0.175 0.000 2.093 219 L HA -0.144 4.199 4.340 0.006 0.000 0.208 219 L C 1.393 178.036 176.870 -0.377 0.000 1.085 219 L CA 1.914 56.538 54.840 -0.360 0.000 0.755 219 L CB -0.521 41.196 42.059 -0.569 0.000 0.904 219 L HN 0.272 nan 8.230 nan 0.000 0.435 220 E N -0.288 119.727 120.200 -0.308 0.000 2.110 220 E HA -0.228 4.126 4.350 0.006 0.000 0.193 220 E C 2.144 178.682 176.600 -0.103 0.000 0.988 220 E CA 1.054 57.330 56.400 -0.206 0.000 0.804 220 E CB -0.022 29.647 29.700 -0.050 0.000 0.745 220 E HN 0.543 nan 8.360 nan 0.000 0.458 221 R N 0.390 120.830 120.500 -0.100 0.000 2.092 221 R HA -0.104 4.240 4.340 0.006 0.000 0.231 221 R C 2.468 178.649 176.300 -0.199 0.000 1.119 221 R CA 0.732 56.773 56.100 -0.099 0.000 0.970 221 R CB -0.341 29.911 30.300 -0.081 0.000 0.864 221 R HN 0.099 nan 8.270 nan 0.000 0.440 222 L N 0.886 121.941 121.223 -0.280 0.000 2.017 222 L HA -0.092 4.252 4.340 0.006 0.000 0.208 222 L C 2.323 178.892 176.870 -0.503 0.000 1.073 222 L CA 1.960 56.486 54.840 -0.522 0.000 0.745 222 L CB -0.606 41.174 42.059 -0.465 0.000 0.894 222 L HN 0.143 nan 8.230 nan 0.000 0.432 223 A N -0.692 122.028 122.820 -0.167 0.000 1.908 223 A HA -0.276 4.047 4.320 0.006 0.000 0.218 223 A C 2.319 180.115 177.584 0.353 0.000 1.181 223 A CA 2.123 54.277 52.037 0.194 0.000 0.627 223 A CB -0.608 18.459 19.000 0.112 0.000 0.818 223 A HN 0.421 nan 8.150 nan 0.000 0.445 224 K N -0.484 120.033 120.400 0.194 0.000 2.063 224 K HA -0.072 4.252 4.320 0.006 0.000 0.208 224 K C 1.998 178.595 176.600 -0.006 0.000 1.048 224 K CA 1.429 57.818 56.287 0.170 0.000 0.928 224 K CB -0.734 31.822 32.500 0.092 0.000 0.713 224 K HN 0.448 nan 8.250 nan 0.000 0.442 225 G N -0.914 107.783 108.800 -0.172 0.000 2.408 225 G HA2 -0.192 3.772 3.960 0.006 0.000 0.217 225 G HA3 -0.192 3.772 3.960 0.006 0.000 0.217 225 G C 1.384 176.138 174.900 -0.243 0.000 1.150 225 G CA 0.476 45.415 45.100 -0.269 0.000 0.776 225 G HN 0.270 nan 8.290 nan 0.000 0.542 226 F N -0.817 118.980 119.950 -0.254 0.000 2.293 226 F HA 0.245 4.775 4.527 0.006 0.000 0.297 226 F C 0.609 175.943 175.800 -0.776 0.000 1.089 226 F CA 0.051 57.725 58.000 -0.544 0.000 1.377 226 F CB 0.230 38.826 39.000 -0.673 0.000 1.051 226 F HN -0.013 nan 8.300 nan 0.000 0.511 227 F N 0.509 120.489 119.950 0.049 0.000 2.542 227 F HA 0.287 4.817 4.527 0.006 0.000 0.323 227 F C -1.696 173.952 175.800 -0.255 0.000 1.411 227 F CA -2.255 55.667 58.000 -0.131 0.000 1.124 227 F CB -0.036 38.814 39.000 -0.250 0.000 1.331 227 F HN -0.239 nan 8.300 nan 0.000 0.560 228 P HA -0.151 nan 4.420 nan 0.000 0.218 228 P C 1.766 179.019 177.300 -0.078 0.000 1.148 228 P CA 1.558 64.617 63.100 -0.067 0.000 0.822 228 P CB 0.315 31.984 31.700 -0.052 0.000 0.784 229 G N 0.312 109.078 108.800 -0.057 0.000 2.421 229 G HA2 -0.232 3.732 3.960 0.006 0.000 0.216 229 G HA3 -0.232 3.732 3.960 0.006 0.000 0.216 229 G C 1.770 176.614 174.900 -0.093 0.000 1.171 229 G CA 1.093 46.167 45.100 -0.043 0.000 0.775 229 G HN 0.252 nan 8.290 nan 0.000 0.543 230 S N 1.152 116.726 115.700 -0.210 0.000 2.368 230 S HA 0.043 4.517 4.470 0.006 0.000 0.224 230 S C 2.782 177.136 174.600 -0.409 0.000 1.029 230 S CA 1.101 59.082 58.200 -0.366 0.000 0.988 230 S CB -0.384 62.376 63.200 -0.734 0.000 0.838 230 S HN 0.590 nan 8.310 nan 0.000 0.462 231 A N 2.234 124.758 122.820 -0.493 0.000 1.908 231 A HA -0.237 4.087 4.320 0.006 0.000 0.218 231 A C 2.179 179.765 177.584 0.004 0.000 1.181 231 A CA 1.766 53.729 52.037 -0.124 0.000 0.627 231 A CB -0.767 18.221 19.000 -0.020 0.000 0.818 231 A HN 0.736 nan 8.150 nan 0.000 0.445 232 Q N -0.189 119.596 119.800 -0.024 0.000 2.311 232 Q HA -0.055 4.288 4.340 0.006 0.000 0.203 232 Q C 1.659 177.679 176.000 0.032 0.000 0.954 232 Q CA 1.600 57.410 55.803 0.013 0.000 0.885 232 Q CB -0.410 28.329 28.738 0.003 0.000 0.963 232 Q HN 0.643 nan 8.270 nan 0.000 0.471 233 S N -0.886 114.835 115.700 0.035 0.000 2.524 233 S HA 0.159 4.633 4.470 0.006 0.000 0.216 233 S C 0.378 175.043 174.600 0.109 0.000 0.987 233 S CA -0.099 58.141 58.200 0.066 0.000 0.909 233 S CB 0.578 63.819 63.200 0.068 0.000 0.781 233 S HN 0.473 nan 8.310 nan 0.000 0.521 234 C N 2.330 121.703 119.300 0.121 0.000 3.080 234 C HA 0.414 4.877 4.460 0.006 0.000 0.388 234 C C 0.918 176.012 174.990 0.174 0.000 1.079 234 C CA -0.571 58.541 59.018 0.156 0.000 1.289 234 C CB 0.269 28.143 27.740 0.224 0.000 1.702 234 C HN 0.498 nan 8.230 nan 0.000 0.516 235 E N 3.363 123.650 120.200 0.145 0.000 2.065 235 E HA -0.120 4.233 4.350 0.006 0.000 0.201 235 E C 1.455 178.158 176.600 0.172 0.000 1.016 235 E CA 1.906 58.402 56.400 0.161 0.000 0.818 235 E CB -0.342 29.425 29.700 0.112 0.000 0.749 235 E HN 0.926 nan 8.360 nan 0.000 0.453 236 A N 0.886 123.766 122.820 0.099 0.000 2.840 236 A HA 0.288 4.612 4.320 0.006 0.000 0.269 236 A C 0.985 178.484 177.584 -0.141 0.000 1.439 236 A CA -0.155 51.891 52.037 0.016 0.000 1.083 236 A CB -1.552 17.481 19.000 0.055 0.000 1.019 236 A HN 0.419 nan 8.150 nan 0.000 0.607 237 F N -1.537 118.263 119.950 -0.250 0.000 2.333 237 F HA -0.134 4.396 4.527 0.006 0.000 0.300 237 F C 1.240 176.769 175.800 -0.453 0.000 1.083 237 F CA 1.056 58.685 58.000 -0.618 0.000 1.395 237 F CB -0.553 38.257 39.000 -0.318 0.000 1.056 237 F HN 0.224 nan 8.300 nan 0.000 0.529 238 L N 0.472 121.117 121.223 -0.962 0.000 2.191 238 L HA -0.103 4.241 4.340 0.006 0.000 0.212 238 L C 2.546 179.335 176.870 -0.135 0.000 1.103 238 L CA 1.030 55.530 54.840 -0.566 0.000 0.769 238 L CB -0.623 41.193 42.059 -0.405 0.000 0.908 238 L HN 0.155 nan 8.230 nan 0.000 0.438 239 R N -0.875 119.564 120.500 -0.101 0.000 2.285 239 R HA -0.114 4.230 4.340 0.006 0.000 0.213 239 R C 1.730 178.114 176.300 0.140 0.000 1.068 239 R CA 0.658 56.794 56.100 0.059 0.000 1.004 239 R CB -0.364 29.987 30.300 0.085 0.000 0.873 239 R HN 0.588 nan 8.270 nan 0.000 0.467 240 H N 0.630 119.727 119.070 0.045 0.000 2.545 240 H HA 0.030 4.590 4.556 0.007 0.000 0.282 240 H C 0.183 175.514 175.328 0.005 0.000 1.020 240 H CA 0.038 56.110 56.048 0.040 0.000 1.243 240 H CB 0.147 29.945 29.762 0.060 0.000 1.377 240 H HN -0.021 nan 8.280 nan 0.000 0.581 241 K N -0.439 120.023 120.400 0.104 0.000 3.148 241 K HA -0.229 4.095 4.320 0.006 0.000 0.267 241 K C 0.082 176.692 176.600 0.017 0.000 0.996 241 K CA 0.558 56.858 56.287 0.022 0.000 0.737 241 K CB -0.981 31.485 32.500 -0.057 0.000 1.308 241 K HN 0.443 nan 8.250 nan 0.000 0.470 242 M N -1.074 118.537 119.600 0.019 0.000 2.300 242 M HA 0.022 4.506 4.480 0.006 0.000 0.313 242 M C -0.115 176.153 176.300 -0.053 0.000 0.988 242 M CA 0.151 55.420 55.300 -0.051 0.000 1.012 242 M CB 1.307 33.833 32.600 -0.124 0.000 1.586 242 M HN -0.014 nan 8.290 nan 0.000 0.562 243 T N 2.727 117.277 114.554 -0.005 0.000 2.744 243 T HA 0.586 4.939 4.350 0.006 0.000 0.291 243 T C -0.376 174.457 174.700 0.221 0.000 0.957 243 T CA -0.153 61.953 62.100 0.011 0.000 1.002 243 T CB 1.018 69.853 68.868 -0.055 0.000 0.919 243 T HN 0.114 nan 8.240 nan 0.000 0.468 244 L N 4.599 126.008 121.223 0.310 0.000 2.322 244 L HA 0.664 5.007 4.340 0.006 0.000 0.281 244 L C -0.467 176.778 176.870 0.625 0.000 1.014 244 L CA -0.886 54.239 54.840 0.475 0.000 0.815 244 L CB 1.489 43.782 42.059 0.391 0.000 1.247 244 L HN 0.512 nan 8.230 nan 0.000 0.421 245 I N 1.891 122.884 120.570 0.704 0.000 2.512 245 I HA 0.223 4.396 4.170 0.006 0.000 0.287 245 I C 0.164 176.357 176.117 0.125 0.000 1.069 245 I CA -0.431 61.095 61.300 0.376 0.000 1.056 245 I CB 2.389 40.472 38.000 0.138 0.000 1.229 245 I HN 0.650 nan 8.210 nan 0.000 0.429 246 S N 6.823 122.266 115.700 -0.428 0.000 2.585 246 S HA 0.342 4.816 4.470 0.006 0.000 0.273 246 S C -1.484 172.620 174.600 -0.826 0.000 1.339 246 S CA -0.908 56.483 58.200 -1.348 0.000 1.028 246 S CB 1.016 63.364 63.200 -1.419 0.000 0.906 246 S HN 0.512 nan 8.310 nan 0.000 0.528 247 P HA -0.126 nan 4.420 nan 0.000 0.218 247 P C 1.602 178.694 177.300 -0.347 0.000 1.148 247 P CA 1.041 63.691 63.100 -0.750 0.000 0.822 247 P CB -0.077 31.347 31.700 -0.459 0.000 0.784 248 L N -1.626 119.422 121.223 -0.292 0.000 2.046 248 L HA -0.144 4.200 4.340 0.006 0.000 0.208 248 L C 2.848 179.669 176.870 -0.082 0.000 1.077 248 L CA 1.303 56.072 54.840 -0.118 0.000 0.747 248 L CB -0.812 41.173 42.059 -0.123 0.000 0.896 248 L HN -0.051 nan 8.230 nan 0.000 0.432 249 M N -0.516 119.000 119.600 -0.141 0.000 2.159 249 M HA -0.172 4.312 4.480 0.006 0.000 0.263 249 M C 2.333 178.702 176.300 0.114 0.000 1.063 249 M CA 1.673 56.975 55.300 0.003 0.000 1.110 249 M CB -0.818 31.724 32.600 -0.097 0.000 1.374 249 M HN 0.246 nan 8.290 nan 0.000 0.411 250 L N -0.625 120.564 121.223 -0.056 0.000 2.017 250 L HA -0.261 4.082 4.340 0.006 0.000 0.208 250 L C 2.545 179.504 176.870 0.148 0.000 1.073 250 L CA 1.351 56.178 54.840 -0.021 0.000 0.745 250 L CB -0.729 41.163 42.059 -0.278 0.000 0.894 250 L HN 0.313 nan 8.230 nan 0.000 0.432 251 K N 0.730 121.244 120.400 0.189 0.000 2.032 251 K HA -0.263 4.061 4.320 0.006 0.000 0.209 251 K C 2.231 178.871 176.600 0.066 0.000 1.048 251 K CA 1.701 58.108 56.287 0.200 0.000 0.927 251 K CB -0.052 32.568 32.500 0.200 0.000 0.712 251 K HN 0.086 nan 8.250 nan 0.000 0.441 252 K N -0.409 120.000 120.400 0.015 0.000 2.211 252 K HA -0.178 4.145 4.320 0.006 0.000 0.204 252 K C 0.694 177.087 176.600 -0.344 0.000 1.047 252 K CA 1.466 57.659 56.287 -0.158 0.000 0.935 252 K CB 0.009 32.393 32.500 -0.194 0.000 0.728 252 K HN 0.235 nan 8.250 nan 0.000 0.452 253 Y N -0.272 120.036 120.300 0.013 0.000 2.607 253 Y HA 0.245 4.799 4.550 0.007 0.000 0.266 253 Y C 1.052 176.936 175.900 -0.026 0.000 1.178 253 Y CA 0.170 58.265 58.100 -0.009 0.000 1.226 253 Y CB 0.990 39.442 38.460 -0.014 0.000 1.144 253 Y HN 0.285 nan 8.280 nan 0.000 0.528 254 G N 1.053 109.885 108.800 0.053 0.000 2.168 254 G HA2 -0.326 3.638 3.960 0.006 0.000 0.257 254 G HA3 -0.326 3.638 3.960 0.006 0.000 0.257 254 G C 0.096 174.999 174.900 0.006 0.000 0.997 254 G CA 0.115 45.226 45.100 0.017 0.000 0.708 254 G HN 0.394 nan 8.290 nan 0.000 0.520 255 I N 2.878 123.479 120.570 0.051 0.000 2.337 255 I HA 0.231 4.405 4.170 0.006 0.000 0.291 255 I C -1.373 174.800 176.117 0.093 0.000 1.046 255 I CA -2.091 59.219 61.300 0.016 0.000 1.324 255 I CB 1.035 39.025 38.000 -0.017 0.000 1.409 255 I HN -0.044 nan 8.210 nan 0.000 0.494 256 P HA 0.186 nan 4.420 nan 0.000 0.271 256 P C -0.994 176.414 177.300 0.180 0.000 1.216 256 P CA 0.238 63.318 63.100 -0.034 0.000 0.776 256 P CB 0.617 32.178 31.700 -0.231 0.000 0.881 257 F N -0.460 119.535 119.950 0.074 0.000 2.773 257 F HA 0.737 5.268 4.527 0.007 0.000 0.314 257 F C -1.954 173.961 175.800 0.192 0.000 1.160 257 F CA -1.080 57.025 58.000 0.175 0.000 0.920 257 F CB 1.252 40.394 39.000 0.238 0.000 1.323 257 F HN 0.165 nan 8.300 nan 0.000 0.457 258 D N 0.444 121.075 120.400 0.385 0.000 2.570 258 D HA 0.495 5.138 4.640 0.006 0.000 0.244 258 D C -1.798 174.781 176.300 0.464 0.000 1.178 258 D CA -0.555 53.584 54.000 0.230 0.000 0.881 258 D CB 2.634 43.508 40.800 0.123 0.000 1.453 258 D HN 0.844 nan 8.370 nan 0.000 0.447 259 K N -0.133 120.456 120.400 0.316 0.000 2.395 259 K HA 0.836 5.159 4.320 0.006 0.000 0.247 259 K C -1.496 175.127 176.600 0.038 0.000 0.973 259 K CA -0.985 55.439 56.287 0.229 0.000 0.828 259 K CB 2.587 35.250 32.500 0.271 0.000 1.272 259 K HN 0.171 nan 8.250 nan 0.000 0.439 260 V N 0.399 120.286 119.914 -0.044 0.000 3.077 260 V HA 0.409 4.533 4.120 0.006 0.000 0.299 260 V C -1.784 174.238 176.094 -0.120 0.000 1.276 260 V CA -0.269 61.972 62.300 -0.099 0.000 0.993 260 V CB 2.704 34.486 31.823 -0.069 0.000 1.076 260 V HN 0.986 nan 8.190 nan 0.000 0.434 261 T N 5.113 119.564 114.554 -0.172 0.000 2.786 261 T HA 0.399 4.752 4.350 0.006 0.000 0.283 261 T C -0.702 173.948 174.700 -0.083 0.000 0.992 261 T CA -0.117 61.899 62.100 -0.139 0.000 0.954 261 T CB 1.220 69.960 68.868 -0.212 0.000 0.934 261 T HN 0.785 nan 8.240 nan 0.000 0.440 262 Q N 3.371 123.161 119.800 -0.016 0.000 2.274 262 Q HA 0.217 4.560 4.340 0.006 0.000 0.256 262 Q C -0.423 175.516 176.000 -0.101 0.000 0.927 262 Q CA -0.515 55.262 55.803 -0.044 0.000 0.939 262 Q CB 0.692 29.479 28.738 0.083 0.000 1.201 262 Q HN 0.529 nan 8.270 nan 0.000 0.426 263 E N 1.644 121.777 120.200 -0.111 0.000 2.250 263 E HA 0.404 4.758 4.350 0.006 0.000 0.265 263 E C -0.637 175.867 176.600 -0.160 0.000 1.033 263 E CA -0.562 55.773 56.400 -0.109 0.000 0.888 263 E CB 1.240 30.904 29.700 -0.060 0.000 1.151 263 E HN 0.767 nan 8.360 nan 0.000 0.412 264 A N 0.087 122.822 122.820 -0.141 0.000 2.531 264 A HA 0.363 4.686 4.320 0.006 0.000 0.236 264 A C 1.183 178.642 177.584 -0.209 0.000 1.062 264 A CA 0.949 52.869 52.037 -0.195 0.000 0.760 264 A CB -0.541 18.412 19.000 -0.078 0.000 0.995 264 A HN 0.819 nan 8.150 nan 0.000 0.501 265 G N 1.156 109.727 108.800 -0.382 0.000 2.162 265 G HA2 -0.198 3.766 3.960 0.006 0.000 0.260 265 G HA3 -0.198 3.766 3.960 0.006 0.000 0.260 265 G C -0.063 174.703 174.900 -0.223 0.000 0.976 265 G CA 0.657 45.620 45.100 -0.228 0.000 0.655 265 G HN 0.914 nan 8.290 nan 0.000 0.533 266 E N -0.998 118.962 120.200 -0.400 0.000 2.227 266 E HA 0.669 5.023 4.350 0.006 0.000 0.268 266 E C -0.754 175.681 176.600 -0.276 0.000 0.907 266 E CA -0.889 55.364 56.400 -0.245 0.000 0.786 266 E CB 1.279 30.879 29.700 -0.168 0.000 1.191 266 E HN 0.131 nan 8.360 nan 0.000 0.411 267 F N 1.682 121.650 119.950 0.031 0.000 2.422 267 F HA 0.407 4.937 4.527 0.006 0.000 0.333 267 F C 0.220 176.015 175.800 -0.008 0.000 1.095 267 F CA -0.741 57.335 58.000 0.127 0.000 1.038 267 F CB 1.072 40.224 39.000 0.252 0.000 1.156 267 F HN 0.114 nan 8.300 nan 0.000 0.483 268 M N 4.611 124.298 119.600 0.146 0.000 2.393 268 M HA 0.480 4.964 4.480 0.006 0.000 0.316 268 M C -0.892 175.339 176.300 -0.114 0.000 1.087 268 M CA -0.607 54.567 55.300 -0.211 0.000 0.937 268 M CB 2.021 34.147 32.600 -0.790 0.000 1.668 268 M HN 0.418 nan 8.290 nan 0.000 0.438 269 I N 2.437 122.913 120.570 -0.158 0.000 2.418 269 I HA 0.364 4.537 4.170 0.006 0.000 0.287 269 I C 0.194 176.075 176.117 -0.394 0.000 1.008 269 I CA -0.567 60.626 61.300 -0.179 0.000 1.104 269 I CB 2.302 40.231 38.000 -0.119 0.000 1.264 269 I HN 0.696 nan 8.210 nan 0.000 0.438 270 T N 2.711 117.010 114.554 -0.425 0.000 2.902 270 T HA 0.655 5.009 4.350 0.006 0.000 0.283 270 T C -0.546 173.838 174.700 -0.527 0.000 1.009 270 T CA -0.429 61.428 62.100 -0.404 0.000 1.051 270 T CB 1.196 69.765 68.868 -0.498 0.000 0.999 270 T HN 0.135 nan 8.240 nan 0.000 0.474 271 F N 1.471 121.287 119.950 -0.224 0.000 2.497 271 F HA 0.544 5.074 4.527 0.006 0.000 0.331 271 F C -2.178 173.303 175.800 -0.532 0.000 1.060 271 F CA -2.810 54.924 58.000 -0.443 0.000 0.989 271 F CB 0.735 39.572 39.000 -0.272 0.000 1.245 271 F HN 0.368 nan 8.300 nan 0.000 0.486 272 P HA -0.116 nan 4.420 nan 0.000 0.260 272 P C -0.470 176.636 177.300 -0.324 0.000 1.172 272 P CA 0.932 63.655 63.100 -0.628 0.000 0.760 272 P CB -0.145 30.845 31.700 -1.183 0.000 0.773 273 Y N 1.613 121.767 120.300 -0.243 0.000 4.668 273 Y HA -0.230 4.324 4.550 0.006 0.000 0.234 273 Y C 0.651 176.464 175.900 -0.145 0.000 1.056 273 Y CA 1.335 59.356 58.100 -0.132 0.000 2.025 273 Y CB -1.694 36.836 38.460 0.117 0.000 1.613 273 Y HN 0.468 nan 8.280 nan 0.000 0.653 274 G N 0.965 109.665 108.800 -0.166 0.000 2.350 274 G HA2 0.377 4.340 3.960 0.006 0.000 0.306 274 G HA3 0.377 4.340 3.960 0.006 0.000 0.306 274 G C -0.784 174.123 174.900 0.012 0.000 1.094 274 G CA -0.365 44.716 45.100 -0.032 0.000 0.953 274 G HN 0.305 nan 8.290 nan 0.000 0.420 275 Y N 3.531 123.861 120.300 0.050 0.000 2.377 275 Y HA 0.271 4.824 4.550 0.006 0.000 0.330 275 Y C 1.284 177.487 175.900 0.505 0.000 1.108 275 Y CA 0.272 58.465 58.100 0.154 0.000 1.308 275 Y CB 0.720 39.229 38.460 0.083 0.000 1.216 275 Y HN 0.667 nan 8.280 nan 0.000 0.518 276 H N 0.883 120.238 119.070 0.476 0.000 3.008 276 H HA 0.926 5.486 4.556 0.006 0.000 0.354 276 H C -1.662 173.612 175.328 -0.091 0.000 1.252 276 H CA -1.426 54.798 56.048 0.295 0.000 1.117 276 H CB 1.408 31.405 29.762 0.391 0.000 1.857 276 H HN 0.668 nan 8.280 nan 0.000 0.547 277 A N 0.032 122.563 122.820 -0.481 0.000 2.601 277 A HA 0.816 5.140 4.320 0.006 0.000 0.291 277 A C -0.623 176.258 177.584 -1.170 0.000 1.075 277 A CA -0.149 51.310 52.037 -0.964 0.000 0.671 277 A CB 1.696 19.684 19.000 -1.687 0.000 1.277 277 A HN 1.411 nan 8.150 nan 0.000 0.417 278 G N -1.175 106.420 108.800 -2.007 0.000 2.428 278 G HA2 0.790 4.754 3.960 0.006 0.000 0.305 278 G HA3 0.790 4.754 3.960 0.006 0.000 0.305 278 G C -1.346 172.836 174.900 -1.197 0.000 1.260 278 G CA 0.305 44.483 45.100 -1.538 0.000 0.853 278 G HN 2.149 nan 8.290 nan 0.000 0.480 279 F N -1.357 118.096 119.950 -0.829 0.000 2.693 279 F HA 0.713 5.243 4.527 0.006 0.000 0.309 279 F C -1.203 174.432 175.800 -0.275 0.000 1.129 279 F CA -1.615 55.994 58.000 -0.652 0.000 0.948 279 F CB 1.061 39.314 39.000 -1.245 0.000 1.315 279 F HN 0.353 nan 8.300 nan 0.000 0.447 280 N N 1.035 119.760 118.700 0.041 0.000 2.498 280 N HA 0.180 4.923 4.740 0.006 0.000 0.287 280 N C 0.298 176.113 175.510 0.508 0.000 1.097 280 N CA -0.397 52.750 53.050 0.160 0.000 0.973 280 N CB 1.006 39.572 38.487 0.132 0.000 1.153 280 N HN 0.739 nan 8.380 nan 0.000 0.472 281 H N 0.563 119.819 119.070 0.309 0.000 2.363 281 H HA 0.150 4.710 4.556 0.006 0.000 0.301 281 H C 1.362 176.992 175.328 0.503 0.000 1.074 281 H CA 1.040 57.371 56.048 0.471 0.000 1.354 281 H CB 0.168 30.102 29.762 0.287 0.000 1.397 281 H HN 0.737 nan 8.280 nan 0.000 0.516 282 G N -1.741 107.362 108.800 0.506 0.000 2.578 282 G HA2 0.220 4.183 3.960 0.006 0.000 0.302 282 G HA3 0.220 4.183 3.960 0.006 0.000 0.302 282 G C -1.372 173.780 174.900 0.419 0.000 1.243 282 G CA -0.788 44.582 45.100 0.451 0.000 0.843 282 G HN 0.097 nan 8.290 nan 0.000 0.486 283 F N 2.878 122.992 119.950 0.273 0.000 2.608 283 F HA 0.450 4.980 4.527 0.006 0.000 0.380 283 F C 0.371 176.333 175.800 0.269 0.000 1.083 283 F CA -0.051 58.131 58.000 0.303 0.000 1.266 283 F CB 0.166 39.334 39.000 0.280 0.000 1.076 283 F HN 0.807 nan 8.300 nan 0.000 0.574 284 N N 4.024 122.439 118.700 -0.474 0.000 3.261 284 N HA 0.364 5.108 4.740 0.006 0.000 0.248 284 N C -2.057 172.960 175.510 -0.821 0.000 1.498 284 N CA -0.894 51.795 53.050 -0.602 0.000 0.884 284 N CB 1.205 39.526 38.487 -0.277 0.000 1.428 284 N HN 0.701 nan 8.380 nan 0.000 0.517 285 C N 0.468 119.133 119.300 -1.058 0.000 2.551 285 C HA 0.946 5.410 4.460 0.006 0.000 0.332 285 C C -1.015 173.572 174.990 -0.671 0.000 1.139 285 C CA 0.095 58.493 59.018 -1.034 0.000 1.328 285 C CB -0.142 26.691 27.740 -1.512 0.000 1.903 285 C HN 0.983 nan 8.230 nan 0.000 0.459 286 A N 4.376 126.931 122.820 -0.441 0.000 2.401 286 A HA 0.871 5.195 4.320 0.006 0.000 0.310 286 A C -1.082 176.494 177.584 -0.014 0.000 1.075 286 A CA -0.412 51.493 52.037 -0.220 0.000 0.746 286 A CB 1.357 20.230 19.000 -0.213 0.000 1.277 286 A HN 0.930 nan 8.150 nan 0.000 0.425 287 E N 0.580 120.860 120.200 0.133 0.000 2.238 287 E HA 0.688 5.042 4.350 0.006 0.000 0.267 287 E C -0.620 176.135 176.600 0.258 0.000 0.887 287 E CA -0.379 56.188 56.400 0.277 0.000 0.769 287 E CB 1.580 31.567 29.700 0.479 0.000 1.187 287 E HN 0.919 nan 8.360 nan 0.000 0.416 288 S N 2.238 118.107 115.700 0.280 0.000 2.625 288 S HA 0.737 5.210 4.470 0.006 0.000 0.271 288 S C -0.796 173.902 174.600 0.163 0.000 1.161 288 S CA -0.624 57.703 58.200 0.211 0.000 0.820 288 S CB 2.095 65.376 63.200 0.135 0.000 1.137 288 S HN 0.517 nan 8.310 nan 0.000 0.470 289 T N 0.098 114.707 114.554 0.092 0.000 2.733 289 T HA 0.479 4.833 4.350 0.006 0.000 0.312 289 T C -1.797 172.910 174.700 0.011 0.000 1.590 289 T CA -0.690 61.414 62.100 0.006 0.000 1.005 289 T CB 1.114 69.953 68.868 -0.049 0.000 1.528 289 T HN 0.837 nan 8.240 nan 0.000 0.496 290 N N 0.140 118.808 118.700 -0.053 0.000 2.485 290 N HA 0.851 5.595 4.740 0.006 0.000 0.280 290 N C -1.019 174.456 175.510 -0.058 0.000 1.205 290 N CA -0.619 52.365 53.050 -0.110 0.000 0.959 290 N CB 1.066 39.446 38.487 -0.178 0.000 1.206 290 N HN 0.553 nan 8.380 nan 0.000 0.545 291 F N -1.911 117.893 119.950 -0.243 0.000 2.741 291 F HA 0.880 5.411 4.527 0.006 0.000 0.313 291 F C -1.668 173.916 175.800 -0.360 0.000 1.153 291 F CA -1.213 56.607 58.000 -0.300 0.000 0.931 291 F CB 0.789 39.612 39.000 -0.295 0.000 1.335 291 F HN 0.492 nan 8.300 nan 0.000 0.460 292 A N 0.528 123.265 122.820 -0.139 0.000 2.527 292 A HA 0.939 5.263 4.320 0.006 0.000 0.293 292 A C -0.728 176.816 177.584 -0.068 0.000 1.117 292 A CA -0.211 51.668 52.037 -0.265 0.000 0.723 292 A CB 1.509 20.129 19.000 -0.633 0.000 1.313 292 A HN 1.619 nan 8.150 nan 0.000 0.411 293 T N -2.252 112.330 114.554 0.046 0.000 2.812 293 T HA 0.493 4.846 4.350 0.006 0.000 0.294 293 T C 0.669 175.400 174.700 0.052 0.000 1.159 293 T CA -0.705 61.390 62.100 -0.009 0.000 1.008 293 T CB 1.252 70.075 68.868 -0.074 0.000 1.289 293 T HN 0.552 nan 8.240 nan 0.000 0.514 294 R N -0.176 120.271 120.500 -0.087 0.000 2.105 294 R HA -0.052 4.292 4.340 0.006 0.000 0.239 294 R C 2.527 178.803 176.300 -0.041 0.000 1.135 294 R CA 1.396 57.392 56.100 -0.173 0.000 0.967 294 R CB -0.320 29.870 30.300 -0.183 0.000 0.861 294 R HN 0.623 nan 8.270 nan 0.000 0.442 295 R N 0.053 120.590 120.500 0.062 0.000 2.152 295 R HA -0.191 4.153 4.340 0.006 0.000 0.232 295 R C 1.973 178.392 176.300 0.198 0.000 1.117 295 R CA 1.448 57.615 56.100 0.113 0.000 0.981 295 R CB -0.267 30.115 30.300 0.137 0.000 0.870 295 R HN 0.323 nan 8.270 nan 0.000 0.451 296 W N 1.188 122.537 121.300 0.082 0.000 2.363 296 W HA -0.140 4.524 4.660 0.006 0.000 0.296 296 W C 1.323 177.849 176.519 0.012 0.000 1.212 296 W CA 1.201 58.570 57.345 0.039 0.000 1.260 296 W CB -0.276 29.182 29.460 -0.004 0.000 1.131 296 W HN 0.015 nan 8.180 nan 0.000 0.530 297 I N 0.916 121.163 120.570 -0.539 0.000 2.143 297 I HA -0.411 3.762 4.170 0.006 0.000 0.245 297 I C 2.531 178.217 176.117 -0.717 0.000 1.068 297 I CA 1.938 62.729 61.300 -0.848 0.000 1.326 297 I CB -0.718 37.043 38.000 -0.399 0.000 1.028 297 I HN -0.003 nan 8.210 nan 0.000 0.412 298 E N 0.148 120.090 120.200 -0.430 0.000 2.110 298 E HA -0.203 4.150 4.350 0.006 0.000 0.193 298 E C 2.132 178.471 176.600 -0.434 0.000 0.988 298 E CA 1.510 57.671 56.400 -0.399 0.000 0.804 298 E CB -0.319 29.163 29.700 -0.363 0.000 0.745 298 E HN 0.566 nan 8.360 nan 0.000 0.458 299 Y N 0.228 120.255 120.300 -0.455 0.000 2.181 299 Y HA -0.113 4.440 4.550 0.006 0.000 0.288 299 Y C 2.513 178.172 175.900 -0.402 0.000 1.146 299 Y CA 1.347 59.242 58.100 -0.342 0.000 1.164 299 Y CB -0.770 37.569 38.460 -0.201 0.000 0.982 299 Y HN 0.119 nan 8.280 nan 0.000 0.515 300 G N -0.075 108.311 108.800 -0.690 0.000 2.418 300 G HA2 -0.253 3.710 3.960 0.006 0.000 0.217 300 G HA3 -0.253 3.710 3.960 0.006 0.000 0.217 300 G C 1.606 176.342 174.900 -0.274 0.000 1.158 300 G CA 0.977 45.732 45.100 -0.575 0.000 0.771 300 G HN 0.324 nan 8.290 nan 0.000 0.545 301 K N -0.097 120.097 120.400 -0.343 0.000 2.148 301 K HA -0.026 4.298 4.320 0.006 0.000 0.204 301 K C 2.369 178.961 176.600 -0.014 0.000 1.050 301 K CA 1.102 57.305 56.287 -0.139 0.000 0.942 301 K CB -0.019 32.327 32.500 -0.257 0.000 0.724 301 K HN 0.346 nan 8.250 nan 0.000 0.446 302 Q N -0.107 119.638 119.800 -0.091 0.000 2.282 302 Q HA 0.226 4.570 4.340 0.006 0.000 0.206 302 Q C -0.311 175.672 176.000 -0.028 0.000 0.878 302 Q CA -0.444 55.321 55.803 -0.062 0.000 0.944 302 Q CB 1.070 29.721 28.738 -0.145 0.000 1.100 302 Q HN 0.167 nan 8.270 nan 0.000 0.509 303 A N 1.029 123.858 122.820 0.015 0.000 2.520 303 A HA 0.191 4.514 4.320 0.006 0.000 0.245 303 A C 0.149 177.783 177.584 0.083 0.000 1.072 303 A CA -0.094 51.988 52.037 0.075 0.000 0.761 303 A CB 0.335 19.415 19.000 0.133 0.000 1.004 303 A HN 0.110 nan 8.150 nan 0.000 0.499 304 V N 5.165 125.136 119.914 0.095 0.000 2.389 304 V HA 0.203 4.327 4.120 0.006 0.000 0.264 304 V C 0.363 176.522 176.094 0.109 0.000 1.049 304 V CA 0.082 62.439 62.300 0.095 0.000 0.932 304 V CB 0.060 31.944 31.823 0.101 0.000 1.011 304 V HN 0.685 nan 8.190 nan 0.000 0.475 305 L N 4.380 125.666 121.223 0.104 0.000 2.375 305 L HA 0.508 4.851 4.340 0.006 0.000 0.268 305 L C 0.515 177.450 176.870 0.108 0.000 1.058 305 L CA -0.453 54.453 54.840 0.110 0.000 0.803 305 L CB 1.395 43.522 42.059 0.114 0.000 1.212 305 L HN 0.737 nan 8.230 nan 0.000 0.451 306 C N 0.832 120.204 119.300 0.119 0.000 2.585 306 C HA 0.314 4.778 4.460 0.006 0.000 0.406 306 C C 1.524 176.598 174.990 0.140 0.000 1.312 306 C CA 0.096 59.199 59.018 0.141 0.000 1.924 306 C CB 0.252 28.109 27.740 0.194 0.000 2.578 306 C HN 0.944 nan 8.230 nan 0.000 0.580 307 S N 2.960 118.741 115.700 0.135 0.000 2.526 307 S HA -0.051 4.423 4.470 0.006 0.000 0.220 307 S C 1.535 176.203 174.600 0.113 0.000 1.017 307 S CA 0.584 58.851 58.200 0.111 0.000 0.930 307 S CB -0.783 62.471 63.200 0.090 0.000 0.856 307 S HN 1.297 nan 8.310 nan 0.000 0.497 308 C N 2.001 121.390 119.300 0.148 0.000 2.472 308 C HA 0.386 4.850 4.460 0.006 0.000 0.278 308 C C 1.005 176.050 174.990 0.093 0.000 1.447 308 C CA -0.691 58.405 59.018 0.129 0.000 1.773 308 C CB -1.472 26.373 27.740 0.175 0.000 1.793 308 C HN 0.433 nan 8.230 nan 0.000 0.544 309 R N 0.505 121.064 120.500 0.098 0.000 2.711 309 R HA 0.466 4.810 4.340 0.006 0.000 0.284 309 R C -0.782 175.557 176.300 0.065 0.000 0.968 309 R CA -0.367 55.766 56.100 0.055 0.000 0.924 309 R CB 1.282 31.602 30.300 0.033 0.000 1.162 309 R HN 0.158 nan 8.270 nan 0.000 0.465 310 K N 1.642 122.072 120.400 0.050 0.000 2.602 310 K HA 0.116 4.440 4.320 0.006 0.000 0.201 310 K C -0.788 175.842 176.600 0.050 0.000 1.070 310 K CA 0.111 56.430 56.287 0.053 0.000 1.026 310 K CB 0.270 32.798 32.500 0.046 0.000 1.534 310 K HN 0.499 nan 8.250 nan 0.000 0.560 311 D N 0.873 121.307 120.400 0.058 0.000 2.715 311 D HA 0.025 4.668 4.640 0.006 0.000 0.418 311 D C -0.453 175.888 176.300 0.068 0.000 1.290 311 D CA -0.029 54.005 54.000 0.057 0.000 1.005 311 D CB 0.340 41.169 40.800 0.049 0.000 1.631 311 D HN 0.243 nan 8.370 nan 0.000 0.375 312 M N 1.166 120.814 119.600 0.079 0.000 2.240 312 M HA 0.230 4.713 4.480 0.006 0.000 0.333 312 M C 0.565 176.919 176.300 0.091 0.000 1.110 312 M CA -0.355 55.001 55.300 0.094 0.000 1.173 312 M CB 0.799 33.466 32.600 0.112 0.000 1.458 312 M HN -0.222 nan 8.290 nan 0.000 0.458 313 V N 3.905 123.875 119.914 0.093 0.000 2.485 313 V HA 0.096 4.220 4.120 0.006 0.000 0.287 313 V C 0.626 176.783 176.094 0.105 0.000 1.022 313 V CA 0.135 62.489 62.300 0.089 0.000 1.067 313 V CB -0.022 31.848 31.823 0.078 0.000 0.967 313 V HN 0.553 nan 8.190 nan 0.000 0.479 314 K N 5.718 126.183 120.400 0.108 0.000 2.507 314 K HA 0.589 4.912 4.320 0.006 0.000 0.252 314 K C -1.259 175.428 176.600 0.147 0.000 0.943 314 K CA -0.480 55.884 56.287 0.127 0.000 0.808 314 K CB 1.884 34.452 32.500 0.113 0.000 1.142 314 K HN 0.576 nan 8.250 nan 0.000 0.426 315 I N 1.686 122.370 120.570 0.190 0.000 2.465 315 I HA 0.147 4.321 4.170 0.006 0.000 0.291 315 I C 0.404 176.689 176.117 0.281 0.000 1.014 315 I CA -0.832 60.611 61.300 0.238 0.000 1.093 315 I CB 2.086 40.260 38.000 0.289 0.000 1.267 315 I HN 0.448 nan 8.210 nan 0.000 0.431 316 S N 6.185 122.049 115.700 0.273 0.000 2.488 316 S HA 0.146 4.620 4.470 0.006 0.000 0.278 316 S C 1.098 175.935 174.600 0.396 0.000 1.259 316 S CA -0.464 57.912 58.200 0.294 0.000 1.061 316 S CB 0.483 63.822 63.200 0.231 0.000 0.910 316 S HN 0.511 nan 8.310 nan 0.000 0.491 317 M N 3.429 123.276 119.600 0.411 0.000 2.558 317 M HA 0.004 4.487 4.480 0.006 0.000 0.255 317 M C 1.796 178.271 176.300 0.291 0.000 1.113 317 M CA 0.496 56.018 55.300 0.369 0.000 1.097 317 M CB -1.313 31.357 32.600 0.116 0.000 1.426 317 M HN 0.778 nan 8.290 nan 0.000 0.488 318 D N 0.520 121.177 120.400 0.429 0.000 2.154 318 D HA -0.194 4.449 4.640 0.006 0.000 0.190 318 D C 1.904 178.350 176.300 0.242 0.000 1.003 318 D CA 1.631 55.920 54.000 0.483 0.000 0.849 318 D CB 0.193 41.280 40.800 0.478 0.000 0.942 318 D HN 0.206 nan 8.370 nan 0.000 0.446 319 V N -0.133 119.827 119.914 0.077 0.000 2.568 319 V HA -0.231 3.893 4.120 0.006 0.000 0.253 319 V C 2.010 177.986 176.094 -0.197 0.000 1.072 319 V CA 1.540 63.755 62.300 -0.141 0.000 1.084 319 V CB -0.591 31.055 31.823 -0.296 0.000 0.676 319 V HN 0.168 nan 8.190 nan 0.000 0.469 320 F N -0.818 119.211 119.950 0.130 0.000 2.219 320 F HA 0.004 4.534 4.527 0.006 0.000 0.294 320 F C 2.263 178.146 175.800 0.137 0.000 1.086 320 F CA 1.636 59.773 58.000 0.228 0.000 1.330 320 F CB -0.557 38.547 39.000 0.172 0.000 1.047 320 F HN 0.004 nan 8.300 nan 0.000 0.495 321 V N 0.391 120.376 119.914 0.118 0.000 2.307 321 V HA -0.268 3.855 4.120 0.006 0.000 0.245 321 V C 2.469 178.627 176.094 0.107 0.000 1.045 321 V CA 1.959 64.256 62.300 -0.004 0.000 1.024 321 V CB -0.721 30.910 31.823 -0.320 0.000 0.651 321 V HN 0.241 nan 8.190 nan 0.000 0.449 322 R N 0.509 121.036 120.500 0.046 0.000 2.080 322 R HA -0.241 4.103 4.340 0.006 0.000 0.236 322 R C 2.457 178.636 176.300 -0.202 0.000 1.137 322 R CA 2.333 58.278 56.100 -0.258 0.000 0.943 322 R CB -0.261 29.721 30.300 -0.531 0.000 0.846 322 R HN 0.499 nan 8.270 nan 0.000 0.431 323 K N -0.934 119.330 120.400 -0.227 0.000 2.116 323 K HA -0.079 4.245 4.320 0.006 0.000 0.203 323 K C 1.261 177.556 176.600 -0.508 0.000 1.052 323 K CA 1.280 57.310 56.287 -0.428 0.000 0.952 323 K CB 0.117 32.232 32.500 -0.641 0.000 0.729 323 K HN 0.178 nan 8.250 nan 0.000 0.446 324 F N 0.085 120.041 119.950 0.009 0.000 2.720 324 F HA 0.225 4.756 4.527 0.006 0.000 0.301 324 F C 0.502 176.303 175.800 0.002 0.000 1.103 324 F CA -0.256 57.757 58.000 0.021 0.000 1.291 324 F CB 0.788 39.826 39.000 0.062 0.000 1.086 324 F HN -0.112 nan 8.300 nan 0.000 0.592 325 Q N 1.062 120.942 119.800 0.133 0.000 2.563 325 Q HA 0.152 4.496 4.340 0.006 0.000 0.367 325 Q C -1.973 174.078 176.000 0.085 0.000 0.845 325 Q CA -1.382 54.471 55.803 0.082 0.000 1.077 325 Q CB 0.742 29.502 28.738 0.035 0.000 1.409 325 Q HN 0.064 nan 8.270 nan 0.000 0.396 326 P HA -0.239 nan 4.420 nan 0.000 0.217 326 P C 0.428 177.787 177.300 0.098 0.000 1.151 326 P CA 1.620 64.752 63.100 0.054 0.000 0.849 326 P CB 0.410 32.105 31.700 -0.008 0.000 0.787 327 E N 0.199 120.442 120.200 0.071 0.000 2.268 327 E HA -0.126 4.227 4.350 0.006 0.000 0.195 327 E C 1.848 178.501 176.600 0.088 0.000 0.995 327 E CA 1.030 57.471 56.400 0.067 0.000 0.836 327 E CB -0.717 29.009 29.700 0.043 0.000 0.763 327 E HN 0.353 nan 8.360 nan 0.000 0.491 328 R N -1.218 119.348 120.500 0.110 0.000 2.365 328 R HA 0.177 4.521 4.340 0.006 0.000 0.223 328 R C 1.320 177.739 176.300 0.198 0.000 0.899 328 R CA -0.066 56.106 56.100 0.121 0.000 1.059 328 R CB -0.239 30.107 30.300 0.076 0.000 1.086 328 R HN 0.106 nan 8.270 nan 0.000 0.522 329 Y N 2.333 122.705 120.300 0.120 0.000 2.102 329 Y HA -0.338 4.215 4.550 0.006 0.000 0.280 329 Y C 2.175 178.209 175.900 0.223 0.000 1.178 329 Y CA 1.895 60.119 58.100 0.206 0.000 1.146 329 Y CB 0.050 38.592 38.460 0.137 0.000 0.968 329 Y HN -0.102 nan 8.280 nan 0.000 0.504 330 K N -0.473 120.009 120.400 0.137 0.000 2.057 330 K HA -0.200 4.124 4.320 0.006 0.000 0.207 330 K C 2.069 178.651 176.600 -0.031 0.000 1.049 330 K CA 1.499 57.799 56.287 0.022 0.000 0.931 330 K CB -0.490 32.058 32.500 0.080 0.000 0.714 330 K HN 0.363 nan 8.250 nan 0.000 0.440 331 L N 0.252 121.494 121.223 0.031 0.000 2.017 331 L HA -0.129 4.214 4.340 0.006 0.000 0.208 331 L C 2.036 178.922 176.870 0.025 0.000 1.073 331 L CA 1.856 56.711 54.840 0.025 0.000 0.745 331 L CB -0.769 41.322 42.059 0.054 0.000 0.894 331 L HN 0.447 nan 8.230 nan 0.000 0.432 332 W N 0.751 121.979 121.300 -0.120 0.000 2.338 332 W HA -0.268 4.395 4.660 0.006 0.000 0.304 332 W C 2.548 178.962 176.519 -0.175 0.000 1.212 332 W CA 2.129 59.396 57.345 -0.130 0.000 1.264 332 W CB -0.273 29.116 29.460 -0.117 0.000 1.142 332 W HN 0.054 nan 8.180 nan 0.000 0.512 333 K N 0.799 120.947 120.400 -0.420 0.000 2.152 333 K HA -0.067 4.256 4.320 0.006 0.000 0.206 333 K C 1.726 178.063 176.600 -0.439 0.000 1.048 333 K CA 1.675 57.575 56.287 -0.644 0.000 0.933 333 K CB -0.756 31.424 32.500 -0.533 0.000 0.721 333 K HN 0.099 nan 8.250 nan 0.000 0.447 334 A N -0.446 122.209 122.820 -0.275 0.000 2.476 334 A HA 0.370 4.694 4.320 0.006 0.000 0.263 334 A C 0.916 178.393 177.584 -0.179 0.000 1.342 334 A CA 0.313 52.236 52.037 -0.189 0.000 0.926 334 A CB -0.910 18.021 19.000 -0.114 0.000 1.019 334 A HN 0.369 nan 8.150 nan 0.000 0.515 335 G N 0.486 109.129 108.800 -0.263 0.000 2.379 335 G HA2 -0.310 3.653 3.960 0.006 0.000 0.297 335 G HA3 -0.310 3.653 3.960 0.006 0.000 0.297 335 G C 0.522 175.364 174.900 -0.097 0.000 1.004 335 G CA 1.058 46.037 45.100 -0.201 0.000 0.921 335 G HN 0.655 nan 8.290 nan 0.000 0.511 336 K N -0.492 119.871 120.400 -0.062 0.000 2.478 336 K HA 0.129 4.453 4.320 0.006 0.000 0.205 336 K C -0.061 176.544 176.600 0.009 0.000 1.033 336 K CA -0.466 55.806 56.287 -0.025 0.000 1.091 336 K CB 0.853 33.338 32.500 -0.026 0.000 0.844 336 K HN 0.197 nan 8.250 nan 0.000 0.507 337 D N 2.051 122.480 120.400 0.048 0.000 2.422 337 D HA 0.062 4.706 4.640 0.006 0.000 0.227 337 D C -0.375 175.948 176.300 0.039 0.000 1.190 337 D CA -0.040 54.007 54.000 0.079 0.000 0.905 337 D CB 0.302 41.221 40.800 0.197 0.000 1.034 337 D HN 0.017 nan 8.370 nan 0.000 0.507 338 N N 2.662 121.365 118.700 0.004 0.000 2.575 338 N HA 0.028 4.772 4.740 0.006 0.000 0.275 338 N C -0.365 175.120 175.510 -0.042 0.000 1.202 338 N CA -0.072 52.967 53.050 -0.019 0.000 0.945 338 N CB 0.511 38.985 38.487 -0.022 0.000 1.247 338 N HN 0.239 nan 8.380 nan 0.000 0.510 339 T N 0.664 115.188 114.554 -0.051 0.000 2.853 339 T HA 0.130 4.484 4.350 0.006 0.000 0.298 339 T C 0.792 175.417 174.700 -0.126 0.000 0.978 339 T CA -0.056 61.991 62.100 -0.088 0.000 1.152 339 T CB 1.317 70.122 68.868 -0.106 0.000 0.914 339 T HN -0.120 nan 8.240 nan 0.000 0.539 340 V N 5.370 125.205 119.914 -0.132 0.000 2.509 340 V HA 0.354 4.478 4.120 0.006 0.000 0.284 340 V C 0.491 176.444 176.094 -0.235 0.000 1.047 340 V CA -0.769 61.433 62.300 -0.164 0.000 0.952 340 V CB 1.182 32.929 31.823 -0.125 0.000 0.988 340 V HN 0.749 nan 8.190 nan 0.000 0.469 341 I N 3.803 124.168 120.570 -0.341 0.000 2.342 341 I HA 0.270 4.443 4.170 0.006 0.000 0.291 341 I C -0.057 175.737 176.117 -0.539 0.000 1.010 341 I CA -0.200 60.801 61.300 -0.497 0.000 1.308 341 I CB 1.128 38.669 38.000 -0.765 0.000 1.400 341 I HN 0.553 nan 8.210 nan 0.000 0.488 342 D N 6.263 126.437 120.400 -0.377 0.000 2.396 342 D HA 0.107 4.751 4.640 0.006 0.000 0.225 342 D C 1.065 177.253 176.300 -0.187 0.000 1.121 342 D CA -0.220 53.629 54.000 -0.252 0.000 0.853 342 D CB 0.638 41.367 40.800 -0.118 0.000 1.043 342 D HN 0.445 nan 8.370 nan 0.000 0.500 343 H N 1.953 121.046 119.070 0.039 0.000 2.456 343 H HA -0.101 4.458 4.556 0.006 0.000 0.296 343 H C 1.838 177.271 175.328 0.175 0.000 1.079 343 H CA 1.775 57.917 56.048 0.156 0.000 1.322 343 H CB -0.085 29.761 29.762 0.140 0.000 1.388 343 H HN 0.517 nan 8.280 nan 0.000 0.538 344 T N -1.186 113.479 114.554 0.185 0.000 2.985 344 T HA 0.013 4.367 4.350 0.006 0.000 0.266 344 T C 1.243 176.097 174.700 0.256 0.000 1.076 344 T CA -0.140 62.051 62.100 0.153 0.000 1.135 344 T CB -0.405 68.492 68.868 0.048 0.000 0.890 344 T HN 0.077 nan 8.240 nan 0.000 0.480 345 L N 2.831 124.135 121.223 0.135 0.000 2.514 345 L HA 0.287 4.630 4.340 0.006 0.000 0.280 345 L C -2.427 174.457 176.870 0.024 0.000 1.223 345 L CA -1.530 53.350 54.840 0.068 0.000 0.864 345 L CB 0.903 42.966 42.059 0.006 0.000 1.118 345 L HN 0.179 nan 8.230 nan 0.000 0.494 346 P HA 0.270 nan 4.420 nan 0.000 0.289 346 P C -1.313 175.943 177.300 -0.073 0.000 1.302 346 P CA -0.658 62.361 63.100 -0.134 0.000 0.923 346 P CB 1.248 32.886 31.700 -0.103 0.000 1.238 347 T N 3.521 118.031 114.554 -0.074 0.000 2.771 347 T HA 0.201 4.554 4.350 0.006 0.000 0.277 347 T C -1.387 173.293 174.700 -0.033 0.000 0.919 347 T CA -0.199 61.877 62.100 -0.040 0.000 1.163 347 T CB -0.925 67.922 68.868 -0.035 0.000 0.876 347 T HN 0.391 nan 8.240 nan 0.000 0.545 348 P HA 0.000 nan 4.420 nan 0.000 0.216 348 P CA 0.000 63.092 63.100 -0.014 0.000 0.800 348 P CB 0.000 31.693 31.700 -0.011 0.000 0.726