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 1vf7_1_M DATA FIRST_RESID 28 DATA SEQUENCE NTELPGRTNA FRIAEVRPQV NGIILKRLFK EGSDVKAGQQ LYQIDPATYE DATA SEQUENCE ADYQSAQANL ASTQEQAQRY KLLVADQAVS KQQYADANAA YLQSKAAVEQ DATA SEQUENCE ARINLRYTKV LSPISGRIGR SAVTEGALVT NGQANAMATV QQLDPIYVDV DATA SEQUENCE TQPSTALLRL RRELASGQLE RAGDNAAKVS LKLEDGSQYP LEGRLEFSEV DATA SEQUENCE SVDEGTGSVT IRAVFPNPNN ELLPGMFVHA QL 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 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.540 175.510 0.050 0.000 1.280 28 N CA 0.000 53.082 53.050 0.054 0.000 0.885 28 N CB 0.000 38.519 38.487 0.053 0.000 1.341 29 T N 0.426 115.013 114.554 0.054 0.000 2.816 29 T HA 0.262 4.612 4.350 -0.000 0.000 0.282 29 T C 0.253 174.988 174.700 0.058 0.000 0.993 29 T CA -0.235 61.893 62.100 0.046 0.000 0.994 29 T CB 1.393 70.288 68.868 0.045 0.000 1.025 29 T HN 0.253 nan 8.240 nan 0.000 0.529 30 E N 0.764 120.991 120.200 0.044 0.000 2.197 30 E HA 0.431 4.781 4.350 -0.000 0.000 0.281 30 E C -0.817 175.846 176.600 0.106 0.000 0.995 30 E CA -0.432 56.008 56.400 0.067 0.000 0.808 30 E CB 0.977 30.668 29.700 -0.015 0.000 1.093 30 E HN 0.355 nan 8.360 nan 0.000 0.394 31 L N 4.881 126.196 121.223 0.154 0.000 2.313 31 L HA 0.416 4.756 4.340 -0.000 0.000 0.283 31 L C -2.221 174.760 176.870 0.185 0.000 1.013 31 L CA -2.433 52.494 54.840 0.145 0.000 0.816 31 L CB 1.447 43.566 42.059 0.099 0.000 1.236 31 L HN 0.304 nan 8.230 nan 0.000 0.419 32 P HA 0.259 nan 4.420 nan 0.000 0.280 32 P C -0.345 176.974 177.300 0.031 0.000 1.300 32 P CA 0.103 63.274 63.100 0.120 0.000 0.785 32 P CB 1.244 33.034 31.700 0.149 0.000 0.874 33 G N 3.080 111.860 108.800 -0.033 0.000 2.702 33 G HA2 0.378 4.338 3.960 -0.000 0.000 0.296 33 G HA3 0.378 4.338 3.960 -0.000 0.000 0.296 33 G C -1.194 173.665 174.900 -0.069 0.000 1.463 33 G CA -0.798 44.284 45.100 -0.030 0.000 0.890 33 G HN 0.283 nan 8.290 nan 0.000 0.534 34 R N 0.672 121.129 120.500 -0.073 0.000 2.404 34 R HA 0.516 4.856 4.340 -0.000 0.000 0.291 34 R C 0.549 176.780 176.300 -0.114 0.000 1.025 34 R CA -0.504 55.514 56.100 -0.138 0.000 0.991 34 R CB 1.303 31.486 30.300 -0.195 0.000 1.053 34 R HN 0.706 nan 8.270 nan 0.000 0.479 35 T N 0.378 114.848 114.554 -0.140 0.000 2.930 35 T HA 0.171 4.521 4.350 -0.000 0.000 0.306 35 T C 0.175 174.836 174.700 -0.065 0.000 1.045 35 T CA -0.544 61.496 62.100 -0.099 0.000 1.134 35 T CB 0.566 69.350 68.868 -0.140 0.000 0.961 35 T HN 0.392 nan 8.240 nan 0.000 0.545 36 N N -0.150 118.553 118.700 0.006 0.000 2.577 36 N HA 0.674 5.414 4.740 -0.000 0.000 0.285 36 N C -0.835 174.699 175.510 0.039 0.000 1.309 36 N CA -0.723 52.344 53.050 0.029 0.000 0.798 36 N CB 1.744 40.276 38.487 0.075 0.000 1.463 36 N HN 0.998 nan 8.380 nan 0.000 0.518 37 A N 0.331 123.168 122.820 0.029 0.000 2.388 37 A HA 0.264 4.584 4.320 -0.000 0.000 0.257 37 A C 0.758 178.336 177.584 -0.009 0.000 1.095 37 A CA -0.282 51.761 52.037 0.010 0.000 0.791 37 A CB -0.274 18.730 19.000 0.006 0.000 1.029 37 A HN 0.730 nan 8.150 nan 0.000 0.489 38 F N 1.857 121.649 119.950 -0.264 0.000 2.051 38 F HA -0.037 4.490 4.527 -0.000 0.000 0.296 38 F C 1.319 177.034 175.800 -0.141 0.000 1.122 38 F CA 1.852 59.584 58.000 -0.447 0.000 1.201 38 F CB 0.144 38.886 39.000 -0.429 0.000 0.978 38 F HN 0.540 nan 8.300 nan 0.000 0.472 39 R N 0.276 120.872 120.500 0.159 0.000 2.561 39 R HA 0.509 4.849 4.340 -0.000 0.000 0.297 39 R C -1.366 174.959 176.300 0.041 0.000 0.969 39 R CA -0.674 55.481 56.100 0.092 0.000 0.879 39 R CB 2.135 32.525 30.300 0.150 0.000 1.178 39 R HN 0.067 nan 8.270 nan 0.000 0.445 40 I N 2.133 122.713 120.570 0.017 0.000 2.362 40 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 40 I C -0.369 175.744 176.117 -0.007 0.000 0.994 40 I CA -0.582 60.718 61.300 -0.000 0.000 1.158 40 I CB 1.943 39.940 38.000 -0.006 0.000 1.315 40 I HN 0.615 nan 8.210 nan 0.000 0.451 41 A N 5.972 128.782 122.820 -0.016 0.000 2.353 41 A HA 0.559 4.879 4.320 -0.000 0.000 0.299 41 A C -0.535 177.028 177.584 -0.035 0.000 1.089 41 A CA -0.609 51.413 52.037 -0.024 0.000 0.736 41 A CB 0.834 19.820 19.000 -0.024 0.000 1.195 41 A HN 0.728 nan 8.150 nan 0.000 0.447 42 E N 0.545 120.724 120.200 -0.034 0.000 2.374 42 E HA 0.414 4.764 4.350 -0.000 0.000 0.260 42 E C -0.749 175.824 176.600 -0.046 0.000 1.101 42 E CA -0.347 56.030 56.400 -0.037 0.000 0.907 42 E CB 1.411 31.091 29.700 -0.033 0.000 1.014 42 E HN 0.363 nan 8.360 nan 0.000 0.427 43 V N 3.061 122.951 119.914 -0.041 0.000 2.334 43 V HA 0.365 4.485 4.120 -0.000 0.000 0.281 43 V C -0.263 175.793 176.094 -0.064 0.000 1.016 43 V CA -0.479 61.797 62.300 -0.039 0.000 0.832 43 V CB 0.883 32.711 31.823 0.008 0.000 0.999 43 V HN 0.564 nan 8.190 nan 0.000 0.439 44 R N 5.275 125.721 120.500 -0.091 0.000 2.686 44 R HA 0.589 4.929 4.340 -0.000 0.000 0.283 44 R C -2.825 173.390 176.300 -0.142 0.000 0.978 44 R CA -1.796 54.238 56.100 -0.110 0.000 0.897 44 R CB 2.609 32.855 30.300 -0.092 0.000 1.192 44 R HN 0.423 nan 8.270 nan 0.000 0.457 45 P HA 0.069 nan 4.420 nan 0.000 0.280 45 P C -0.650 176.564 177.300 -0.143 0.000 1.244 45 P CA -0.301 62.711 63.100 -0.146 0.000 0.784 45 P CB 1.014 32.639 31.700 -0.125 0.000 0.913 46 Q N 0.833 120.517 119.800 -0.193 0.000 2.228 46 Q HA 0.301 4.641 4.340 -0.000 0.000 0.211 46 Q C 0.002 175.995 176.000 -0.011 0.000 0.890 46 Q CA -0.124 55.575 55.803 -0.173 0.000 0.953 46 Q CB 0.538 28.972 28.738 -0.507 0.000 1.053 46 Q HN 0.237 nan 8.270 nan 0.000 0.471 47 V N 1.182 121.085 119.914 -0.019 0.000 3.036 47 V HA 0.148 4.268 4.120 -0.000 0.000 0.288 47 V C -1.580 174.540 176.094 0.043 0.000 1.407 47 V CA -1.047 61.264 62.300 0.018 0.000 0.983 47 V CB 2.598 34.346 31.823 -0.124 0.000 1.128 47 V HN 0.223 nan 8.190 nan 0.000 0.439 48 N N 2.452 121.234 118.700 0.136 0.000 2.530 48 N HA 0.848 5.588 4.740 -0.000 0.000 0.277 48 N C 0.184 175.797 175.510 0.172 0.000 1.168 48 N CA 0.575 53.696 53.050 0.117 0.000 0.979 48 N CB 1.748 40.296 38.487 0.102 0.000 1.141 48 N HN 1.201 nan 8.380 nan 0.000 0.459 49 G N -0.419 108.442 108.800 0.102 0.000 2.315 49 G HA2 0.253 4.213 3.960 -0.000 0.000 0.294 49 G HA3 0.253 4.213 3.960 -0.000 0.000 0.294 49 G C -1.804 173.131 174.900 0.058 0.000 1.300 49 G CA -0.710 44.458 45.100 0.114 0.000 0.843 49 G HN 0.319 nan 8.290 nan 0.000 0.527 50 I N 0.886 121.494 120.570 0.062 0.000 2.359 50 I HA 0.389 4.559 4.170 -0.000 0.000 0.294 50 I C 0.318 176.462 176.117 0.046 0.000 0.987 50 I CA -0.695 60.630 61.300 0.043 0.000 1.225 50 I CB 1.218 39.243 38.000 0.042 0.000 1.366 50 I HN 0.354 nan 8.210 nan 0.000 0.466 51 I N 6.550 127.141 120.570 0.035 0.000 2.581 51 I HA -0.086 4.084 4.170 -0.000 0.000 0.285 51 I C 1.198 177.356 176.117 0.068 0.000 1.129 51 I CA 0.114 61.450 61.300 0.061 0.000 1.397 51 I CB 0.454 38.498 38.000 0.073 0.000 1.399 51 I HN 0.467 nan 8.210 nan 0.000 0.537 52 L N 6.589 127.857 121.223 0.075 0.000 2.102 52 L HA 0.177 4.517 4.340 -0.000 0.000 0.202 52 L C 0.651 177.554 176.870 0.055 0.000 1.076 52 L CA 1.589 56.464 54.840 0.059 0.000 0.761 52 L CB -0.316 41.777 42.059 0.056 0.000 0.921 52 L HN 0.492 nan 8.230 nan 0.000 0.444 53 K N -1.205 119.240 120.400 0.075 0.000 2.502 53 K HA 0.417 4.737 4.320 -0.000 0.000 0.257 53 K C -0.881 175.757 176.600 0.063 0.000 0.938 53 K CA -0.704 55.609 56.287 0.044 0.000 0.819 53 K CB 2.691 35.203 32.500 0.020 0.000 1.333 53 K HN -0.188 nan 8.250 nan 0.000 0.434 54 R N 2.573 123.037 120.500 -0.060 0.000 2.338 54 R HA 0.319 4.659 4.340 -0.000 0.000 0.317 54 R C -0.425 175.696 176.300 -0.298 0.000 0.968 54 R CA -0.445 55.478 56.100 -0.295 0.000 0.849 54 R CB 0.643 30.690 30.300 -0.422 0.000 1.128 54 R HN 0.381 nan 8.270 nan 0.000 0.448 55 L N 5.847 126.920 121.223 -0.250 0.000 2.872 55 L HA 0.310 4.650 4.340 -0.000 0.000 0.245 55 L C -0.803 176.047 176.870 -0.033 0.000 1.211 55 L CA 0.052 54.828 54.840 -0.105 0.000 1.013 55 L CB -0.040 42.007 42.059 -0.021 0.000 1.326 55 L HN 0.443 nan 8.230 nan 0.000 0.525 56 F N -1.517 118.316 119.950 -0.194 0.000 2.578 56 F HA 0.618 5.145 4.527 -0.000 0.000 0.311 56 F C -0.180 175.553 175.800 -0.112 0.000 1.094 56 F CA -1.700 56.213 58.000 -0.145 0.000 0.923 56 F CB 0.966 39.868 39.000 -0.163 0.000 1.230 56 F HN -0.079 nan 8.300 nan 0.000 0.450 57 K N 2.264 122.676 120.400 0.020 0.000 2.416 57 K HA 0.133 4.453 4.320 -0.000 0.000 0.283 57 K C -0.513 176.189 176.600 0.169 0.000 1.037 57 K CA -0.161 56.130 56.287 0.007 0.000 0.995 57 K CB 0.643 33.155 32.500 0.020 0.000 0.938 57 K HN 0.773 nan 8.250 nan 0.000 0.475 58 E N 1.309 121.554 120.200 0.075 0.000 2.442 58 E HA 0.023 4.373 4.350 -0.000 0.000 0.262 58 E C 0.352 177.026 176.600 0.123 0.000 1.004 58 E CA 0.637 57.145 56.400 0.180 0.000 0.928 58 E CB 0.295 30.042 29.700 0.079 0.000 0.937 58 E HN 0.795 nan 8.360 nan 0.000 0.446 59 G N 2.533 111.404 108.800 0.117 0.000 2.402 59 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.241 59 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.241 59 G C -0.230 174.702 174.900 0.053 0.000 0.871 59 G CA 0.478 45.614 45.100 0.060 0.000 1.232 59 G HN 0.651 nan 8.290 nan 0.000 0.369 60 S N 0.161 115.886 115.700 0.042 0.000 2.636 60 S HA 0.698 5.168 4.470 -0.000 0.000 0.268 60 S C -1.251 173.348 174.600 -0.001 0.000 1.159 60 S CA -0.973 57.245 58.200 0.030 0.000 0.815 60 S CB 2.081 65.319 63.200 0.064 0.000 1.130 60 S HN 0.295 nan 8.310 nan 0.000 0.471 61 D N 1.108 121.505 120.400 -0.005 0.000 2.177 61 D HA 0.602 5.242 4.640 -0.000 0.000 0.247 61 D C -0.162 176.121 176.300 -0.028 0.000 1.063 61 D CA -0.127 53.859 54.000 -0.023 0.000 0.867 61 D CB 1.804 42.592 40.800 -0.020 0.000 1.168 61 D HN 0.802 nan 8.370 nan 0.000 0.445 62 V N -1.191 118.694 119.914 -0.049 0.000 2.925 62 V HA 0.590 4.710 4.120 -0.000 0.000 0.311 62 V C -0.529 175.535 176.094 -0.050 0.000 1.104 62 V CA -1.052 61.215 62.300 -0.055 0.000 0.954 62 V CB 2.252 34.014 31.823 -0.103 0.000 1.022 62 V HN 0.286 nan 8.190 nan 0.000 0.427 63 K N 2.338 122.714 120.400 -0.040 0.000 2.118 63 K HA 0.824 5.144 4.320 -0.000 0.000 0.254 63 K C 0.129 176.708 176.600 -0.034 0.000 0.961 63 K CA -0.230 56.036 56.287 -0.034 0.000 0.876 63 K CB 1.927 34.412 32.500 -0.025 0.000 1.077 63 K HN 1.133 nan 8.250 nan 0.000 0.440 64 A N 0.835 123.637 122.820 -0.030 0.000 2.540 64 A HA 0.350 4.670 4.320 -0.000 0.000 0.239 64 A C 1.208 178.782 177.584 -0.017 0.000 1.061 64 A CA 0.857 52.879 52.037 -0.025 0.000 0.758 64 A CB -0.967 18.022 19.000 -0.019 0.000 0.991 64 A HN 0.954 nan 8.150 nan 0.000 0.502 65 G N 0.683 109.474 108.800 -0.015 0.000 2.155 65 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 65 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 65 G C 0.343 175.242 174.900 -0.002 0.000 0.983 65 G CA 0.704 45.802 45.100 -0.004 0.000 0.676 65 G HN 1.284 nan 8.290 nan 0.000 0.528 66 Q N 0.038 119.831 119.800 -0.010 0.000 2.299 66 Q HA 0.446 4.786 4.340 -0.000 0.000 0.246 66 Q C 0.296 176.297 176.000 0.003 0.000 0.935 66 Q CA -0.458 55.342 55.803 -0.005 0.000 0.887 66 Q CB 0.519 29.249 28.738 -0.014 0.000 1.223 66 Q HN 0.459 nan 8.270 nan 0.000 0.439 67 Q N 3.652 123.462 119.800 0.017 0.000 2.288 67 Q HA 0.140 4.480 4.340 -0.000 0.000 0.258 67 Q C -0.011 176.016 176.000 0.045 0.000 0.957 67 Q CA -0.061 55.765 55.803 0.038 0.000 0.919 67 Q CB 0.711 29.473 28.738 0.041 0.000 1.185 67 Q HN 0.864 nan 8.270 nan 0.000 0.408 68 L N 3.645 124.909 121.223 0.068 0.000 2.388 68 L HA 0.215 4.555 4.340 -0.000 0.000 0.209 68 L C -0.246 176.570 176.870 -0.091 0.000 1.061 68 L CA 0.192 55.058 54.840 0.043 0.000 0.834 68 L CB 0.332 42.375 42.059 -0.026 0.000 1.029 68 L HN 0.592 nan 8.230 nan 0.000 0.473 69 Y N -1.082 119.297 120.300 0.131 0.000 2.609 69 Y HA 0.561 5.111 4.550 -0.000 0.000 0.342 69 Y C -0.512 175.416 175.900 0.047 0.000 1.058 69 Y CA -1.089 57.067 58.100 0.092 0.000 1.055 69 Y CB 1.563 40.075 38.460 0.086 0.000 1.292 69 Y HN -0.226 nan 8.280 nan 0.000 0.476 70 Q N 1.625 121.559 119.800 0.224 0.000 2.309 70 Q HA 0.543 4.883 4.340 -0.000 0.000 0.270 70 Q C -1.730 174.337 176.000 0.110 0.000 1.023 70 Q CA -0.238 55.640 55.803 0.126 0.000 0.758 70 Q CB 1.080 29.868 28.738 0.083 0.000 1.247 70 Q HN 0.625 nan 8.270 nan 0.000 0.455 71 I N 2.666 123.279 120.570 0.072 0.000 2.441 71 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 71 I C 0.365 176.526 176.117 0.073 0.000 1.049 71 I CA -0.486 60.846 61.300 0.054 0.000 1.381 71 I CB 0.730 38.736 38.000 0.010 0.000 1.409 71 I HN 0.627 nan 8.210 nan 0.000 0.523 72 D N 9.328 129.780 120.400 0.088 0.000 2.661 72 D HA -0.063 4.577 4.640 -0.000 0.000 0.244 72 D C -1.482 174.910 176.300 0.154 0.000 1.196 72 D CA -0.764 53.296 54.000 0.100 0.000 0.881 72 D CB 0.839 41.694 40.800 0.090 0.000 1.141 72 D HN 0.297 nan 8.370 nan 0.000 0.530 73 P HA 0.129 nan 4.420 nan 0.000 0.261 73 P C 0.951 178.362 177.300 0.184 0.000 1.268 73 P CA 0.001 63.212 63.100 0.185 0.000 0.833 73 P CB 0.391 32.153 31.700 0.103 0.000 1.231 74 A N 1.178 124.070 122.820 0.121 0.000 1.870 74 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 74 A C 2.269 179.887 177.584 0.057 0.000 1.224 74 A CA 3.010 55.093 52.037 0.076 0.000 0.650 74 A CB -2.030 16.999 19.000 0.049 0.000 0.836 74 A HN 0.222 nan 8.150 nan 0.000 0.454 75 T N -1.391 113.169 114.554 0.011 0.000 2.746 75 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 75 T C 1.740 176.377 174.700 -0.104 0.000 1.039 75 T CA 1.822 63.870 62.100 -0.085 0.000 1.142 75 T CB -0.485 68.266 68.868 -0.195 0.000 0.866 75 T HN 0.553 nan 8.240 nan 0.000 0.444 76 Y N 1.206 121.528 120.300 0.037 0.000 2.224 76 Y HA -0.086 4.464 4.550 -0.000 0.000 0.289 76 Y C 2.659 178.602 175.900 0.071 0.000 1.146 76 Y CA 1.165 59.290 58.100 0.042 0.000 1.182 76 Y CB -0.212 38.261 38.460 0.021 0.000 0.983 76 Y HN 0.202 nan 8.280 nan 0.000 0.524 77 E N 0.501 120.828 120.200 0.212 0.000 2.047 77 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 77 E C 2.257 178.949 176.600 0.154 0.000 0.987 77 E CA 1.290 57.801 56.400 0.185 0.000 0.799 77 E CB -0.380 29.401 29.700 0.133 0.000 0.752 77 E HN 0.303 nan 8.360 nan 0.000 0.449 78 A N 1.053 123.926 122.820 0.089 0.000 1.851 78 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 78 A C 1.949 179.561 177.584 0.048 0.000 1.195 78 A CA 2.069 54.134 52.037 0.047 0.000 0.622 78 A CB -1.066 17.943 19.000 0.014 0.000 0.831 78 A HN 0.334 nan 8.150 nan 0.000 0.444 79 D N -1.830 118.597 120.400 0.045 0.000 2.190 79 D HA -0.179 4.461 4.640 -0.000 0.000 0.200 79 D C 1.546 177.920 176.300 0.124 0.000 0.992 79 D CA 1.614 55.646 54.000 0.054 0.000 0.854 79 D CB -0.383 40.428 40.800 0.018 0.000 0.936 79 D HN 0.647 nan 8.370 nan 0.000 0.462 80 Y N 0.757 121.074 120.300 0.029 0.000 2.420 80 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 80 Y C 2.169 178.078 175.900 0.015 0.000 1.119 80 Y CA 0.931 59.047 58.100 0.027 0.000 1.229 80 Y CB -0.038 38.444 38.460 0.037 0.000 1.026 80 Y HN -0.184 nan 8.280 nan 0.000 0.554 81 Q N 0.091 119.856 119.800 -0.059 0.000 2.062 81 Q HA -0.097 4.243 4.340 -0.000 0.000 0.196 81 Q C 2.662 178.584 176.000 -0.130 0.000 0.967 81 Q CA 2.067 57.780 55.803 -0.150 0.000 0.832 81 Q CB -0.368 28.345 28.738 -0.043 0.000 0.899 81 Q HN 0.511 nan 8.270 nan 0.000 0.442 82 S N -0.417 115.244 115.700 -0.064 0.000 2.355 82 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 82 S C 2.130 176.695 174.600 -0.059 0.000 1.031 82 S CA 1.094 59.264 58.200 -0.050 0.000 0.993 82 S CB -0.697 62.488 63.200 -0.024 0.000 0.859 82 S HN 0.382 nan 8.310 nan 0.000 0.453 83 A N 1.284 124.074 122.820 -0.050 0.000 1.986 83 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 83 A C 2.323 179.855 177.584 -0.087 0.000 1.171 83 A CA 1.813 53.825 52.037 -0.041 0.000 0.640 83 A CB -0.933 18.074 19.000 0.012 0.000 0.811 83 A HN 0.720 nan 8.150 nan 0.000 0.451 84 Q N -1.157 118.532 119.800 -0.185 0.000 2.119 84 Q HA -0.032 4.308 4.340 -0.000 0.000 0.201 84 Q C 2.420 178.351 176.000 -0.114 0.000 0.972 84 Q CA 1.167 56.845 55.803 -0.209 0.000 0.847 84 Q CB -0.280 28.238 28.738 -0.367 0.000 0.903 84 Q HN 0.717 nan 8.270 nan 0.000 0.433 85 A N 1.374 124.136 122.820 -0.097 0.000 1.872 85 A HA -0.196 4.124 4.320 -0.000 0.000 0.214 85 A C 1.881 179.440 177.584 -0.041 0.000 1.187 85 A CA 1.345 53.345 52.037 -0.062 0.000 0.614 85 A CB -0.745 18.222 19.000 -0.054 0.000 0.826 85 A HN 0.391 nan 8.150 nan 0.000 0.442 86 N N 0.339 119.017 118.700 -0.037 0.000 2.094 86 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 86 N C 1.720 177.227 175.510 -0.004 0.000 1.023 86 N CA 2.029 55.067 53.050 -0.020 0.000 0.857 86 N CB -0.368 38.110 38.487 -0.016 0.000 1.013 86 N HN 0.388 nan 8.380 nan 0.000 0.426 87 L N 1.118 122.342 121.223 0.002 0.000 2.109 87 L HA 0.109 4.449 4.340 -0.000 0.000 0.207 87 L C 2.433 179.327 176.870 0.040 0.000 1.086 87 L CA 1.819 56.688 54.840 0.049 0.000 0.760 87 L CB -1.014 41.075 42.059 0.050 0.000 0.910 87 L HN 0.191 nan 8.230 nan 0.000 0.437 88 A N -0.954 121.865 122.820 -0.003 0.000 1.917 88 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 88 A C 2.541 180.103 177.584 -0.036 0.000 1.182 88 A CA 2.367 54.392 52.037 -0.020 0.000 0.633 88 A CB -1.135 17.846 19.000 -0.031 0.000 0.819 88 A HN 0.635 nan 8.150 nan 0.000 0.448 89 S N -2.192 113.488 115.700 -0.032 0.000 2.341 89 S HA -0.110 4.360 4.470 -0.000 0.000 0.216 89 S C 2.092 176.652 174.600 -0.066 0.000 1.034 89 S CA 1.885 60.058 58.200 -0.046 0.000 0.964 89 S CB -0.864 62.314 63.200 -0.036 0.000 0.882 89 S HN 0.467 nan 8.310 nan 0.000 0.469 90 T N 1.378 115.908 114.554 -0.040 0.000 2.778 90 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 90 T C 1.889 176.537 174.700 -0.087 0.000 1.050 90 T CA 1.934 64.012 62.100 -0.036 0.000 1.137 90 T CB -0.455 68.435 68.868 0.036 0.000 0.860 90 T HN 0.656 nan 8.240 nan 0.000 0.468 91 Q N 0.408 120.140 119.800 -0.114 0.000 1.994 91 Q HA -0.164 4.176 4.340 -0.000 0.000 0.198 91 Q C 2.246 178.038 176.000 -0.347 0.000 0.976 91 Q CA 1.973 57.533 55.803 -0.404 0.000 0.828 91 Q CB -0.147 28.430 28.738 -0.270 0.000 0.894 91 Q HN 0.628 nan 8.270 nan 0.000 0.432 92 E N 0.580 120.662 120.200 -0.196 0.000 2.160 92 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 92 E C 1.821 178.325 176.600 -0.160 0.000 0.991 92 E CA 1.859 58.170 56.400 -0.148 0.000 0.810 92 E CB -0.517 29.128 29.700 -0.091 0.000 0.742 92 E HN 0.531 nan 8.360 nan 0.000 0.466 93 Q N 0.142 119.819 119.800 -0.206 0.000 2.167 93 Q HA -0.015 4.325 4.340 -0.000 0.000 0.202 93 Q C 2.011 177.773 176.000 -0.397 0.000 0.970 93 Q CA 1.924 57.532 55.803 -0.326 0.000 0.855 93 Q CB -0.354 28.163 28.738 -0.369 0.000 0.911 93 Q HN 0.421 nan 8.270 nan 0.000 0.438 94 A N -0.003 122.657 122.820 -0.266 0.000 1.935 94 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 94 A C 1.922 179.525 177.584 0.031 0.000 1.178 94 A CA 1.040 53.004 52.037 -0.121 0.000 0.640 94 A CB -0.346 18.534 19.000 -0.200 0.000 0.825 94 A HN 0.518 nan 8.150 nan 0.000 0.447 95 Q N -0.597 119.147 119.800 -0.093 0.000 2.135 95 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 95 Q C 2.298 178.315 176.000 0.028 0.000 0.981 95 Q CA 1.630 57.414 55.803 -0.031 0.000 0.856 95 Q CB -0.186 28.501 28.738 -0.085 0.000 0.902 95 Q HN 0.625 nan 8.270 nan 0.000 0.425 96 R N -0.339 120.182 120.500 0.036 0.000 2.062 96 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 96 R C 1.674 178.117 176.300 0.238 0.000 1.128 96 R CA 1.010 57.173 56.100 0.105 0.000 0.960 96 R CB 0.066 30.433 30.300 0.112 0.000 0.855 96 R HN 0.236 nan 8.270 nan 0.000 0.432 97 Y N 0.998 121.332 120.300 0.056 0.000 2.574 97 Y HA -0.077 4.473 4.550 -0.000 0.000 0.294 97 Y C 2.057 177.913 175.900 -0.072 0.000 1.142 97 Y CA 0.520 58.667 58.100 0.080 0.000 1.314 97 Y CB -0.314 38.281 38.460 0.225 0.000 0.991 97 Y HN 0.056 nan 8.280 nan 0.000 0.555 98 K N 0.381 120.797 120.400 0.027 0.000 2.005 98 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 98 K C 1.977 178.428 176.600 -0.248 0.000 1.044 98 K CA 0.789 56.846 56.287 -0.383 0.000 0.942 98 K CB -0.363 32.073 32.500 -0.107 0.000 0.727 98 K HN 0.259 nan 8.250 nan 0.000 0.439 99 L N 1.404 122.570 121.223 -0.095 0.000 2.043 99 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 99 L C 2.455 179.281 176.870 -0.073 0.000 1.075 99 L CA 1.200 55.999 54.840 -0.068 0.000 0.752 99 L CB -0.413 41.630 42.059 -0.026 0.000 0.891 99 L HN 0.223 nan 8.230 nan 0.000 0.432 100 L N -0.650 120.540 121.223 -0.056 0.000 2.201 100 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 100 L C 2.494 179.297 176.870 -0.111 0.000 1.105 100 L CA 0.717 55.513 54.840 -0.074 0.000 0.775 100 L CB -0.508 41.504 42.059 -0.079 0.000 0.913 100 L HN 0.249 nan 8.230 nan 0.000 0.440 101 V N -2.869 116.952 119.914 -0.155 0.000 2.548 101 V HA -0.041 4.079 4.120 -0.000 0.000 0.249 101 V C 2.465 178.487 176.094 -0.119 0.000 1.055 101 V CA 1.238 63.449 62.300 -0.149 0.000 1.065 101 V CB -1.238 30.462 31.823 -0.206 0.000 0.681 101 V HN 0.298 nan 8.190 nan 0.000 0.462 102 A N -0.124 122.619 122.820 -0.128 0.000 2.259 102 A HA -0.114 4.206 4.320 -0.000 0.000 0.212 102 A C 1.580 179.126 177.584 -0.063 0.000 1.178 102 A CA 1.693 53.678 52.037 -0.088 0.000 0.734 102 A CB -0.538 18.411 19.000 -0.084 0.000 0.774 102 A HN 0.646 nan 8.150 nan 0.000 0.481 103 D N -1.804 118.557 120.400 -0.065 0.000 2.510 103 D HA 0.103 4.743 4.640 -0.000 0.000 0.234 103 D C 0.239 176.509 176.300 -0.051 0.000 1.178 103 D CA 0.204 54.174 54.000 -0.051 0.000 0.816 103 D CB 0.061 40.832 40.800 -0.048 0.000 1.143 103 D HN 0.469 nan 8.370 nan 0.000 0.526 104 Q N -0.286 119.477 119.800 -0.061 0.000 2.481 104 Q HA -0.258 4.082 4.340 -0.000 0.000 0.258 104 Q C 1.111 177.073 176.000 -0.063 0.000 0.961 104 Q CA 0.652 56.421 55.803 -0.056 0.000 1.121 104 Q CB -1.720 26.994 28.738 -0.040 0.000 1.503 104 Q HN 0.316 nan 8.270 nan 0.000 0.544 105 A N -0.314 122.462 122.820 -0.075 0.000 2.067 105 A HA 0.178 4.498 4.320 -0.000 0.000 0.219 105 A C 0.922 178.432 177.584 -0.124 0.000 1.158 105 A CA 1.248 53.234 52.037 -0.085 0.000 0.661 105 A CB 0.618 19.569 19.000 -0.081 0.000 0.801 105 A HN 0.170 nan 8.150 nan 0.000 0.452 106 V N -0.158 119.669 119.914 -0.145 0.000 2.876 106 V HA 0.407 4.527 4.120 -0.000 0.000 0.312 106 V C 0.517 176.551 176.094 -0.099 0.000 1.085 106 V CA -0.320 61.867 62.300 -0.188 0.000 0.945 106 V CB 2.056 33.656 31.823 -0.372 0.000 1.017 106 V HN 0.523 nan 8.190 nan 0.000 0.428 107 S N 3.377 119.038 115.700 -0.066 0.000 2.598 107 S HA 0.161 4.631 4.470 -0.000 0.000 0.256 107 S C 1.032 175.656 174.600 0.040 0.000 1.350 107 S CA 0.233 58.426 58.200 -0.012 0.000 0.984 107 S CB 0.635 63.833 63.200 -0.003 0.000 0.930 107 S HN 0.659 nan 8.310 nan 0.000 0.577 108 K N 0.350 120.783 120.400 0.054 0.000 2.001 108 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 108 K C 2.369 179.038 176.600 0.114 0.000 1.048 108 K CA 1.770 58.116 56.287 0.098 0.000 0.932 108 K CB -0.688 31.852 32.500 0.067 0.000 0.715 108 K HN 0.714 nan 8.250 nan 0.000 0.437 109 Q N 0.540 120.384 119.800 0.073 0.000 2.364 109 Q HA -0.105 4.235 4.340 -0.000 0.000 0.209 109 Q C 1.529 177.578 176.000 0.081 0.000 0.977 109 Q CA 1.510 57.351 55.803 0.062 0.000 0.885 109 Q CB 0.074 28.837 28.738 0.041 0.000 0.941 109 Q HN 0.427 nan 8.270 nan 0.000 0.464 110 Q N -2.025 117.838 119.800 0.105 0.000 2.250 110 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 110 Q C 1.254 177.427 176.000 0.288 0.000 0.941 110 Q CA 0.799 56.694 55.803 0.154 0.000 0.872 110 Q CB -0.016 28.760 28.738 0.063 0.000 0.965 110 Q HN 0.461 nan 8.270 nan 0.000 0.480 111 Y N 1.082 121.465 120.300 0.139 0.000 2.220 111 Y HA -0.068 4.482 4.550 -0.000 0.000 0.291 111 Y C 2.088 178.064 175.900 0.127 0.000 1.129 111 Y CA 1.013 59.220 58.100 0.179 0.000 1.161 111 Y CB -0.424 38.103 38.460 0.113 0.000 0.997 111 Y HN 0.053 nan 8.280 nan 0.000 0.522 112 A N 0.451 123.246 122.820 -0.042 0.000 1.865 112 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 112 A C 1.924 179.446 177.584 -0.105 0.000 1.191 112 A CA 2.240 54.204 52.037 -0.122 0.000 0.623 112 A CB -1.000 17.997 19.000 -0.005 0.000 0.826 112 A HN 0.506 nan 8.150 nan 0.000 0.444 113 D N -0.061 120.329 120.400 -0.016 0.000 2.144 113 D HA -0.023 4.617 4.640 -0.000 0.000 0.199 113 D C 2.188 178.479 176.300 -0.015 0.000 0.984 113 D CA 1.530 55.531 54.000 0.001 0.000 0.834 113 D CB -0.446 40.380 40.800 0.044 0.000 0.955 113 D HN 0.443 nan 8.370 nan 0.000 0.465 114 A N 0.752 123.570 122.820 -0.004 0.000 1.902 114 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 114 A C 2.051 179.582 177.584 -0.089 0.000 1.181 114 A CA 1.448 53.445 52.037 -0.066 0.000 0.623 114 A CB -0.673 18.265 19.000 -0.104 0.000 0.818 114 A HN 0.202 nan 8.150 nan 0.000 0.443 115 N N 0.196 118.783 118.700 -0.188 0.000 2.166 115 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 115 N C 1.951 177.440 175.510 -0.034 0.000 1.019 115 N CA 1.335 54.295 53.050 -0.150 0.000 0.856 115 N CB -0.196 38.045 38.487 -0.410 0.000 0.993 115 N HN 0.398 nan 8.380 nan 0.000 0.426 116 A N 1.282 124.062 122.820 -0.067 0.000 1.851 116 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 116 A C 2.436 180.003 177.584 -0.028 0.000 1.195 116 A CA 2.146 54.154 52.037 -0.047 0.000 0.622 116 A CB -1.258 17.718 19.000 -0.040 0.000 0.831 116 A HN 0.405 nan 8.150 nan 0.000 0.444 117 A N -1.451 121.363 122.820 -0.010 0.000 1.958 117 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 117 A C 2.153 179.762 177.584 0.042 0.000 1.178 117 A CA 2.138 54.177 52.037 0.004 0.000 0.642 117 A CB -0.912 18.087 19.000 -0.002 0.000 0.816 117 A HN 0.927 nan 8.150 nan 0.000 0.453 118 Y N 0.398 120.652 120.300 -0.077 0.000 2.181 118 Y HA -0.109 4.441 4.550 -0.000 0.000 0.288 118 Y C 1.838 177.709 175.900 -0.048 0.000 1.146 118 Y CA 1.654 59.714 58.100 -0.066 0.000 1.164 118 Y CB -0.439 37.976 38.460 -0.075 0.000 0.982 118 Y HN 0.228 nan 8.280 nan 0.000 0.515 119 L N 0.198 121.238 121.223 -0.305 0.000 2.072 119 L HA -0.186 4.154 4.340 -0.000 0.000 0.205 119 L C 2.700 179.455 176.870 -0.192 0.000 1.079 119 L CA 1.660 56.286 54.840 -0.356 0.000 0.752 119 L CB -0.802 41.115 42.059 -0.236 0.000 0.906 119 L HN 0.237 nan 8.230 nan 0.000 0.436 120 Q N 0.074 119.810 119.800 -0.107 0.000 2.248 120 Q HA -0.212 4.128 4.340 -0.000 0.000 0.208 120 Q C 2.046 178.014 176.000 -0.054 0.000 0.984 120 Q CA 2.014 57.779 55.803 -0.064 0.000 0.875 120 Q CB 0.077 28.792 28.738 -0.037 0.000 0.910 120 Q HN 0.454 nan 8.270 nan 0.000 0.433 121 S N 0.391 116.058 115.700 -0.055 0.000 2.377 121 S HA -0.059 4.411 4.470 -0.000 0.000 0.223 121 S C 1.703 176.275 174.600 -0.047 0.000 1.030 121 S CA 0.977 59.162 58.200 -0.026 0.000 0.970 121 S CB -0.103 63.111 63.200 0.024 0.000 0.830 121 S HN 0.351 nan 8.310 nan 0.000 0.473 122 K N 1.520 121.846 120.400 -0.123 0.000 2.063 122 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 122 K C 2.151 178.705 176.600 -0.077 0.000 1.048 122 K CA 1.246 57.455 56.287 -0.131 0.000 0.928 122 K CB -0.309 32.014 32.500 -0.294 0.000 0.713 122 K HN 0.302 nan 8.250 nan 0.000 0.442 123 A N 0.825 123.596 122.820 -0.082 0.000 1.898 123 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 123 A C 2.292 179.866 177.584 -0.018 0.000 1.181 123 A CA 1.731 53.738 52.037 -0.049 0.000 0.620 123 A CB -0.756 18.213 19.000 -0.051 0.000 0.819 123 A HN 0.456 nan 8.150 nan 0.000 0.442 124 A N -0.662 122.151 122.820 -0.012 0.000 1.972 124 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 124 A C 2.198 179.810 177.584 0.047 0.000 1.169 124 A CA 1.744 53.789 52.037 0.013 0.000 0.635 124 A CB -0.713 18.291 19.000 0.008 0.000 0.810 124 A HN 0.350 nan 8.150 nan 0.000 0.446 125 V N -0.349 119.594 119.914 0.049 0.000 2.323 125 V HA -0.178 3.941 4.120 -0.000 0.000 0.244 125 V C 2.594 178.788 176.094 0.168 0.000 1.041 125 V CA 2.258 64.628 62.300 0.115 0.000 1.025 125 V CB -0.532 31.332 31.823 0.069 0.000 0.656 125 V HN 0.654 nan 8.190 nan 0.000 0.451 126 E N 0.230 120.474 120.200 0.073 0.000 2.077 126 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 126 E C 2.149 178.742 176.600 -0.012 0.000 0.989 126 E CA 1.561 57.976 56.400 0.024 0.000 0.800 126 E CB -0.352 29.344 29.700 -0.007 0.000 0.746 126 E HN 0.517 nan 8.360 nan 0.000 0.452 127 Q N -0.033 119.770 119.800 0.004 0.000 2.096 127 Q HA -0.051 4.289 4.340 -0.000 0.000 0.204 127 Q C 1.915 177.916 176.000 0.002 0.000 0.982 127 Q CA 2.243 58.043 55.803 -0.005 0.000 0.850 127 Q CB -0.681 28.066 28.738 0.015 0.000 0.901 127 Q HN 0.315 nan 8.270 nan 0.000 0.422 128 A N -0.120 122.740 122.820 0.066 0.000 1.970 128 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 128 A C 2.101 179.657 177.584 -0.047 0.000 1.170 128 A CA 1.075 53.179 52.037 0.113 0.000 0.645 128 A CB -0.479 18.667 19.000 0.243 0.000 0.816 128 A HN 0.359 nan 8.150 nan 0.000 0.447 129 R N -0.214 120.195 120.500 -0.152 0.000 2.096 129 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 129 R C 1.794 177.837 176.300 -0.428 0.000 1.127 129 R CA 1.662 57.422 56.100 -0.566 0.000 0.968 129 R CB -0.336 29.774 30.300 -0.318 0.000 0.861 129 R HN 0.549 nan 8.270 nan 0.000 0.440 130 I N 1.132 121.504 120.570 -0.331 0.000 2.133 130 I HA -0.287 3.883 4.170 -0.000 0.000 0.238 130 I C 1.734 177.498 176.117 -0.589 0.000 1.074 130 I CA 1.197 62.197 61.300 -0.501 0.000 1.342 130 I CB -0.405 37.350 38.000 -0.409 0.000 1.053 130 I HN 0.200 nan 8.210 nan 0.000 0.404 131 N N 0.796 119.308 118.700 -0.314 0.000 2.091 131 N HA -0.242 4.498 4.740 -0.000 0.000 0.193 131 N C 1.677 176.980 175.510 -0.344 0.000 1.021 131 N CA 1.399 54.319 53.050 -0.217 0.000 0.862 131 N CB -0.576 37.950 38.487 0.064 0.000 1.018 131 N HN 0.230 nan 8.380 nan 0.000 0.429 132 L N 1.045 122.109 121.223 -0.264 0.000 2.109 132 L HA 0.033 4.372 4.340 -0.000 0.000 0.207 132 L C 2.325 179.064 176.870 -0.218 0.000 1.086 132 L CA 1.362 56.067 54.840 -0.225 0.000 0.760 132 L CB -0.427 41.508 42.059 -0.207 0.000 0.910 132 L HN 0.044 nan 8.230 nan 0.000 0.437 133 R N -1.175 119.160 120.500 -0.275 0.000 2.083 133 R HA -0.236 4.104 4.340 -0.000 0.000 0.237 133 R C 2.270 178.553 176.300 -0.028 0.000 1.137 133 R CA 2.205 58.192 56.100 -0.188 0.000 0.951 133 R CB -0.687 29.448 30.300 -0.274 0.000 0.851 133 R HN 0.517 nan 8.270 nan 0.000 0.434 134 Y N 0.324 120.528 120.300 -0.160 0.000 2.569 134 Y HA -0.170 4.380 4.550 -0.000 0.000 0.293 134 Y C 2.405 178.196 175.900 -0.182 0.000 1.144 134 Y CA 0.742 58.747 58.100 -0.158 0.000 1.321 134 Y CB -0.086 38.277 38.460 -0.161 0.000 0.982 134 Y HN 0.387 nan 8.280 nan 0.000 0.558 135 T N -1.891 112.616 114.554 -0.078 0.000 2.962 135 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 135 T C 0.650 175.351 174.700 0.002 0.000 1.088 135 T CA 0.446 62.489 62.100 -0.095 0.000 1.127 135 T CB -0.190 68.606 68.868 -0.120 0.000 0.883 135 T HN 0.140 nan 8.240 nan 0.000 0.493 136 K N 2.533 122.949 120.400 0.027 0.000 2.150 136 K HA 0.406 4.726 4.320 -0.000 0.000 0.261 136 K C -0.831 175.812 176.600 0.072 0.000 1.127 136 K CA -0.414 55.907 56.287 0.057 0.000 0.989 136 K CB 0.924 33.450 32.500 0.044 0.000 1.475 136 K HN 0.118 nan 8.250 nan 0.000 0.391 137 V N 5.435 125.404 119.914 0.093 0.000 2.425 137 V HA -0.009 4.111 4.120 -0.000 0.000 0.276 137 V C 0.560 176.711 176.094 0.094 0.000 1.017 137 V CA 0.185 62.535 62.300 0.083 0.000 1.062 137 V CB -0.529 31.376 31.823 0.138 0.000 0.997 137 V HN 0.559 nan 8.190 nan 0.000 0.476 138 L N 3.566 124.810 121.223 0.034 0.000 2.375 138 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 138 L C 0.773 177.640 176.870 -0.006 0.000 1.058 138 L CA -0.232 54.620 54.840 0.021 0.000 0.803 138 L CB 1.537 43.605 42.059 0.016 0.000 1.212 138 L HN 0.592 nan 8.230 nan 0.000 0.451 139 S N 1.884 117.570 115.700 -0.023 0.000 2.481 139 S HA 0.179 4.649 4.470 -0.000 0.000 0.276 139 S C -1.371 173.204 174.600 -0.042 0.000 1.247 139 S CA -1.380 56.789 58.200 -0.052 0.000 1.053 139 S CB 0.791 63.946 63.200 -0.076 0.000 0.925 139 S HN 0.373 nan 8.310 nan 0.000 0.491 140 P HA -0.024 nan 4.420 nan 0.000 0.216 140 P C 0.419 177.702 177.300 -0.029 0.000 1.150 140 P CA 1.197 64.273 63.100 -0.039 0.000 0.837 140 P CB -0.298 31.377 31.700 -0.043 0.000 0.786 141 I N -6.189 114.361 120.570 -0.034 0.000 3.174 141 I HA 0.496 4.666 4.170 -0.000 0.000 0.313 141 I C -0.749 175.346 176.117 -0.037 0.000 1.155 141 I CA -1.401 59.884 61.300 -0.025 0.000 0.977 141 I CB 2.140 40.133 38.000 -0.012 0.000 1.248 141 I HN -0.413 nan 8.210 nan 0.000 0.453 142 S N 1.224 116.903 115.700 -0.034 0.000 2.580 142 S HA 0.830 5.300 4.470 -0.000 0.000 0.274 142 S C 0.263 174.834 174.600 -0.048 0.000 1.329 142 S CA 0.261 58.435 58.200 -0.044 0.000 1.036 142 S CB 1.032 64.205 63.200 -0.045 0.000 0.919 142 S HN 1.260 nan 8.310 nan 0.000 0.515 143 G N 1.314 110.082 108.800 -0.054 0.000 2.398 143 G HA2 0.329 4.289 3.960 -0.000 0.000 0.251 143 G HA3 0.329 4.289 3.960 -0.000 0.000 0.251 143 G C -1.626 173.241 174.900 -0.056 0.000 1.277 143 G CA -1.015 44.053 45.100 -0.053 0.000 0.927 143 G HN 0.750 nan 8.290 nan 0.000 0.477 144 R N -0.177 120.290 120.500 -0.054 0.000 2.513 144 R HA 0.727 5.067 4.340 -0.000 0.000 0.301 144 R C -1.199 175.061 176.300 -0.065 0.000 0.968 144 R CA -0.763 55.307 56.100 -0.051 0.000 0.872 144 R CB 1.464 31.744 30.300 -0.034 0.000 1.177 144 R HN 0.692 nan 8.270 nan 0.000 0.444 145 I N 3.985 124.503 120.570 -0.086 0.000 2.437 145 I HA 0.492 4.662 4.170 -0.000 0.000 0.298 145 I C 0.437 176.531 176.117 -0.038 0.000 0.984 145 I CA -0.223 60.999 61.300 -0.130 0.000 1.214 145 I CB 1.672 39.468 38.000 -0.341 0.000 1.365 145 I HN 0.869 nan 8.210 nan 0.000 0.469 146 G N 6.395 115.185 108.800 -0.016 0.000 2.783 146 G HA2 0.343 4.303 3.960 -0.000 0.000 0.182 146 G HA3 0.343 4.303 3.960 -0.000 0.000 0.182 146 G C -0.065 174.914 174.900 0.131 0.000 1.516 146 G CA -0.635 44.492 45.100 0.045 0.000 1.079 146 G HN 0.577 nan 8.290 nan 0.000 0.573 147 R N -0.509 120.063 120.500 0.119 0.000 2.679 147 R HA 0.312 4.652 4.340 -0.000 0.000 0.269 147 R C -0.118 176.328 176.300 0.244 0.000 1.076 147 R CA -0.028 56.166 56.100 0.158 0.000 1.160 147 R CB 0.899 31.254 30.300 0.092 0.000 1.054 147 R HN 0.361 nan 8.270 nan 0.000 0.507 148 S N 0.588 116.453 115.700 0.275 0.000 2.430 148 S HA 0.238 4.708 4.470 -0.000 0.000 0.289 148 S C 0.879 175.591 174.600 0.188 0.000 1.143 148 S CA -0.445 57.960 58.200 0.342 0.000 1.067 148 S CB 1.237 64.643 63.200 0.344 0.000 0.964 148 S HN 0.662 nan 8.310 nan 0.000 0.485 149 A N 4.263 127.175 122.820 0.154 0.000 2.168 149 A HA 0.222 4.542 4.320 -0.000 0.000 0.215 149 A C 0.826 178.450 177.584 0.066 0.000 1.152 149 A CA 0.801 52.888 52.037 0.083 0.000 0.716 149 A CB -0.473 18.559 19.000 0.052 0.000 0.794 149 A HN 1.264 nan 8.150 nan 0.000 0.465 150 V N -1.445 118.527 119.914 0.096 0.000 2.448 150 V HA 0.624 4.744 4.120 -0.000 0.000 0.295 150 V C 0.035 176.188 176.094 0.098 0.000 1.025 150 V CA -0.275 62.062 62.300 0.062 0.000 0.859 150 V CB 0.514 32.329 31.823 -0.014 0.000 0.988 150 V HN 0.370 nan 8.190 nan 0.000 0.431 151 T N 1.453 116.041 114.554 0.057 0.000 2.898 151 T HA 0.332 4.682 4.350 -0.000 0.000 0.301 151 T C 0.157 174.893 174.700 0.061 0.000 1.049 151 T CA -0.328 61.802 62.100 0.049 0.000 1.095 151 T CB 0.401 69.284 68.868 0.025 0.000 0.976 151 T HN 0.877 nan 8.240 nan 0.000 0.539 152 E N 0.637 120.868 120.200 0.052 0.000 2.481 152 E HA 0.326 4.676 4.350 -0.000 0.000 0.263 152 E C 1.382 178.002 176.600 0.034 0.000 0.992 152 E CA 0.837 57.267 56.400 0.051 0.000 0.938 152 E CB -0.019 29.696 29.700 0.025 0.000 0.933 152 E HN 1.098 nan 8.360 nan 0.000 0.453 153 G N 1.407 110.229 108.800 0.036 0.000 2.143 153 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.249 153 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.249 153 G C 0.214 175.127 174.900 0.021 0.000 0.981 153 G CA 0.066 45.182 45.100 0.026 0.000 0.665 153 G HN 0.754 nan 8.290 nan 0.000 0.528 154 A N -0.558 122.274 122.820 0.020 0.000 2.286 154 A HA 0.793 5.113 4.320 -0.000 0.000 0.286 154 A C 0.206 177.792 177.584 0.003 0.000 1.097 154 A CA -0.341 51.702 52.037 0.009 0.000 0.821 154 A CB 1.034 20.036 19.000 0.004 0.000 1.076 154 A HN 1.359 nan 8.150 nan 0.000 0.490 155 L N 3.076 124.299 121.223 0.001 0.000 2.295 155 L HA 0.464 4.804 4.340 -0.000 0.000 0.288 155 L C 0.091 176.954 176.870 -0.012 0.000 1.079 155 L CA 0.034 54.874 54.840 0.001 0.000 0.830 155 L CB 0.451 42.513 42.059 0.005 0.000 1.200 155 L HN 0.627 nan 8.230 nan 0.000 0.438 156 V N 2.144 122.046 119.914 -0.019 0.000 2.716 156 V HA 0.746 4.866 4.120 -0.000 0.000 0.304 156 V C 0.076 176.162 176.094 -0.013 0.000 1.053 156 V CA -0.222 62.056 62.300 -0.036 0.000 0.984 156 V CB 1.619 33.394 31.823 -0.079 0.000 1.021 156 V HN 0.768 nan 8.190 nan 0.000 0.467 157 T N 3.537 118.079 114.554 -0.020 0.000 2.848 157 T HA 0.351 4.701 4.350 -0.000 0.000 0.285 157 T C -0.286 174.404 174.700 -0.017 0.000 0.995 157 T CA -0.317 61.779 62.100 -0.006 0.000 0.970 157 T CB 1.016 69.880 68.868 -0.006 0.000 0.976 157 T HN 0.966 nan 8.240 nan 0.000 0.441 158 N N 1.808 120.506 118.700 -0.004 0.000 2.359 158 N HA 0.112 4.852 4.740 -0.000 0.000 0.261 158 N C 1.254 176.754 175.510 -0.016 0.000 1.267 158 N CA 1.728 54.770 53.050 -0.014 0.000 0.864 158 N CB 0.246 38.739 38.487 0.011 0.000 1.063 158 N HN 1.047 nan 8.380 nan 0.000 0.474 159 G N 2.449 111.231 108.800 -0.030 0.000 2.249 159 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 159 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 159 G C 0.141 175.028 174.900 -0.023 0.000 1.036 159 G CA 0.813 45.898 45.100 -0.026 0.000 0.824 159 G HN 0.903 nan 8.290 nan 0.000 0.504 160 Q N -1.148 118.635 119.800 -0.028 0.000 2.368 160 Q HA 0.750 5.090 4.340 -0.000 0.000 0.237 160 Q C 1.602 177.586 176.000 -0.027 0.000 0.987 160 Q CA 0.039 55.827 55.803 -0.025 0.000 0.896 160 Q CB 1.059 29.780 28.738 -0.029 0.000 1.241 160 Q HN 0.710 nan 8.270 nan 0.000 0.485 161 A N 2.899 125.706 122.820 -0.021 0.000 1.828 161 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 161 A C 0.355 177.926 177.584 -0.022 0.000 1.203 161 A CA 1.438 53.463 52.037 -0.019 0.000 0.614 161 A CB -1.007 17.985 19.000 -0.014 0.000 0.844 161 A HN 0.884 nan 8.150 nan 0.000 0.445 162 N N 0.227 118.915 118.700 -0.020 0.000 2.483 162 N HA 0.452 5.192 4.740 -0.000 0.000 0.264 162 N C -0.102 175.391 175.510 -0.028 0.000 1.197 162 N CA 0.461 53.500 53.050 -0.019 0.000 0.927 162 N CB 0.754 39.233 38.487 -0.013 0.000 1.065 162 N HN 0.590 nan 8.380 nan 0.000 0.461 163 A N 2.336 125.142 122.820 -0.024 0.000 2.448 163 A HA 0.094 4.414 4.320 -0.000 0.000 0.239 163 A C 1.096 178.666 177.584 -0.025 0.000 1.080 163 A CA 0.051 52.070 52.037 -0.030 0.000 0.779 163 A CB 0.221 19.209 19.000 -0.021 0.000 1.026 163 A HN 0.816 nan 8.150 nan 0.000 0.499 164 M N 0.522 120.097 119.600 -0.041 0.000 2.216 164 M HA 0.190 4.670 4.480 -0.000 0.000 0.264 164 M C 0.874 177.240 176.300 0.111 0.000 1.080 164 M CA 1.743 57.026 55.300 -0.029 0.000 1.153 164 M CB -0.129 32.333 32.600 -0.230 0.000 1.356 164 M HN 0.813 nan 8.290 nan 0.000 0.432 165 A N -0.484 122.398 122.820 0.103 0.000 2.594 165 A HA 0.700 5.020 4.320 -0.000 0.000 0.291 165 A C -0.925 176.658 177.584 -0.001 0.000 1.105 165 A CA -0.682 51.407 52.037 0.086 0.000 0.694 165 A CB 1.222 20.277 19.000 0.092 0.000 1.291 165 A HN 0.143 nan 8.150 nan 0.000 0.410 166 T N 0.638 115.178 114.554 -0.025 0.000 2.829 166 T HA 0.603 4.953 4.350 -0.000 0.000 0.280 166 T C -0.708 173.949 174.700 -0.072 0.000 0.999 166 T CA -0.413 61.662 62.100 -0.041 0.000 0.983 166 T CB 1.439 70.293 68.868 -0.023 0.000 0.968 166 T HN 0.619 nan 8.240 nan 0.000 0.446 167 V N 3.161 123.031 119.914 -0.074 0.000 2.513 167 V HA 0.494 4.614 4.120 -0.000 0.000 0.299 167 V C -0.434 175.631 176.094 -0.048 0.000 1.035 167 V CA -0.811 61.440 62.300 -0.082 0.000 0.889 167 V CB 1.787 33.550 31.823 -0.099 0.000 0.988 167 V HN 0.835 nan 8.190 nan 0.000 0.440 168 Q N 2.720 122.495 119.800 -0.041 0.000 2.309 168 Q HA 0.382 4.722 4.340 -0.000 0.000 0.270 168 Q C -0.705 175.284 176.000 -0.019 0.000 1.023 168 Q CA -0.319 55.472 55.803 -0.021 0.000 0.758 168 Q CB 2.458 31.184 28.738 -0.021 0.000 1.247 168 Q HN 0.735 nan 8.270 nan 0.000 0.455 169 Q N 3.208 123.010 119.800 0.003 0.000 2.332 169 Q HA 0.213 4.553 4.340 -0.000 0.000 0.263 169 Q C -0.406 175.587 176.000 -0.012 0.000 0.979 169 Q CA 0.360 56.158 55.803 -0.009 0.000 0.885 169 Q CB 0.567 29.314 28.738 0.016 0.000 1.218 169 Q HN 0.757 nan 8.270 nan 0.000 0.405 170 L N 2.969 124.156 121.223 -0.060 0.000 3.521 170 L HA 0.148 4.488 4.340 -0.000 0.000 0.323 170 L C 0.712 177.527 176.870 -0.092 0.000 1.268 170 L CA -0.238 54.565 54.840 -0.062 0.000 1.064 170 L CB 0.388 42.420 42.059 -0.044 0.000 1.455 170 L HN 0.629 nan 8.230 nan 0.000 0.622 171 D N 2.085 122.397 120.400 -0.147 0.000 2.077 171 D HA -0.027 4.613 4.640 -0.000 0.000 0.196 171 D C -1.705 174.490 176.300 -0.174 0.000 0.986 171 D CA 1.140 55.050 54.000 -0.150 0.000 0.829 171 D CB -0.377 40.314 40.800 -0.180 0.000 0.983 171 D HN 0.130 nan 8.370 nan 0.000 0.453 172 P HA 0.319 nan 4.420 nan 0.000 0.286 172 P C -0.826 176.399 177.300 -0.126 0.000 1.261 172 P CA -0.360 62.579 63.100 -0.269 0.000 0.821 172 P CB 1.647 32.993 31.700 -0.590 0.000 1.013 173 I N 1.901 122.469 120.570 -0.003 0.000 2.619 173 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 173 I C -1.177 174.977 176.117 0.061 0.000 1.100 173 I CA -1.118 60.170 61.300 -0.020 0.000 1.043 173 I CB 1.376 39.352 38.000 -0.039 0.000 1.239 173 I HN 0.256 nan 8.210 nan 0.000 0.420 174 Y N 5.240 125.607 120.300 0.112 0.000 2.307 174 Y HA 0.359 4.909 4.550 -0.000 0.000 0.324 174 Y C 1.088 176.988 175.900 0.000 0.000 1.238 174 Y CA -0.443 57.689 58.100 0.052 0.000 1.280 174 Y CB 1.593 40.041 38.460 -0.021 0.000 1.248 174 Y HN 0.482 nan 8.280 nan 0.000 0.508 175 V N -3.002 117.025 119.914 0.189 0.000 3.548 175 V HA 0.233 4.353 4.120 -0.000 0.000 0.279 175 V C -0.697 175.401 176.094 0.007 0.000 1.446 175 V CA -0.269 62.055 62.300 0.041 0.000 1.023 175 V CB -0.058 31.769 31.823 0.006 0.000 0.820 175 V HN 0.879 nan 8.190 nan 0.000 0.438 176 D N 1.084 121.487 120.400 0.005 0.000 3.845 176 D HA -0.117 4.523 4.640 -0.000 0.000 0.227 176 D C -0.369 175.913 176.300 -0.030 0.000 1.092 176 D CA 1.083 55.059 54.000 -0.040 0.000 1.148 176 D CB -0.590 40.182 40.800 -0.046 0.000 0.803 176 D HN 0.514 nan 8.370 nan 0.000 0.395 177 V N 2.097 121.995 119.914 -0.027 0.000 2.427 177 V HA 0.527 4.647 4.120 -0.000 0.000 0.286 177 V C 0.839 176.929 176.094 -0.005 0.000 1.034 177 V CA -0.590 61.706 62.300 -0.007 0.000 0.893 177 V CB 2.089 33.916 31.823 0.006 0.000 0.982 177 V HN 0.446 nan 8.190 nan 0.000 0.452 178 T N 5.192 119.752 114.554 0.009 0.000 2.799 178 T HA 0.573 4.923 4.350 -0.000 0.000 0.286 178 T C -0.472 174.243 174.700 0.025 0.000 0.973 178 T CA -0.588 61.519 62.100 0.012 0.000 1.035 178 T CB 1.020 69.897 68.868 0.015 0.000 0.932 178 T HN 0.612 nan 8.240 nan 0.000 0.469 179 Q N 1.946 121.760 119.800 0.024 0.000 2.379 179 Q HA 0.386 4.726 4.340 -0.000 0.000 0.278 179 Q C -2.928 173.088 176.000 0.027 0.000 1.068 179 Q CA -2.289 53.533 55.803 0.033 0.000 0.816 179 Q CB 2.547 31.313 28.738 0.046 0.000 1.387 179 Q HN 0.329 nan 8.270 nan 0.000 0.413 180 P HA 0.062 nan 4.420 nan 0.000 0.280 180 P C 0.527 177.842 177.300 0.025 0.000 1.244 180 P CA 0.005 63.118 63.100 0.021 0.000 0.784 180 P CB 0.673 32.384 31.700 0.018 0.000 0.913 181 S N 0.736 116.449 115.700 0.021 0.000 2.493 181 S HA -0.183 4.287 4.470 -0.000 0.000 0.243 181 S C 1.612 176.225 174.600 0.021 0.000 0.991 181 S CA 1.676 59.891 58.200 0.023 0.000 0.957 181 S CB -1.593 61.617 63.200 0.017 0.000 0.756 181 S HN 0.622 nan 8.310 nan 0.000 0.521 182 T N 0.213 114.777 114.554 0.017 0.000 2.777 182 T HA 0.142 4.492 4.350 -0.000 0.000 0.266 182 T C 1.953 176.664 174.700 0.019 0.000 1.040 182 T CA 0.891 62.999 62.100 0.014 0.000 1.141 182 T CB -0.742 68.133 68.868 0.011 0.000 0.868 182 T HN 0.507 nan 8.240 nan 0.000 0.444 183 A N 1.040 123.877 122.820 0.027 0.000 2.014 183 A HA 0.299 4.619 4.320 -0.000 0.000 0.218 183 A C 2.255 179.872 177.584 0.054 0.000 1.163 183 A CA 1.162 53.221 52.037 0.037 0.000 0.652 183 A CB -0.689 18.336 19.000 0.041 0.000 0.808 183 A HN 0.507 nan 8.150 nan 0.000 0.449 184 L N -0.444 120.814 121.223 0.059 0.000 2.007 184 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 184 L C 2.218 179.115 176.870 0.045 0.000 1.073 184 L CA 1.650 56.543 54.840 0.088 0.000 0.744 184 L CB -0.545 41.568 42.059 0.090 0.000 0.898 184 L HN 0.321 nan 8.230 nan 0.000 0.435 185 L N -0.292 120.942 121.223 0.017 0.000 2.043 185 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 185 L C 2.859 179.708 176.870 -0.035 0.000 1.075 185 L CA 1.606 56.437 54.840 -0.015 0.000 0.752 185 L CB -0.650 41.404 42.059 -0.008 0.000 0.891 185 L HN 0.352 nan 8.230 nan 0.000 0.432 186 R N 0.206 120.697 120.500 -0.015 0.000 2.159 186 R HA -0.252 4.088 4.340 -0.000 0.000 0.249 186 R C 2.199 178.474 176.300 -0.042 0.000 1.136 186 R CA 2.072 58.162 56.100 -0.017 0.000 0.951 186 R CB -0.418 29.886 30.300 0.007 0.000 0.876 186 R HN 0.353 nan 8.270 nan 0.000 0.440 187 L N -0.835 120.362 121.223 -0.044 0.000 2.209 187 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 187 L C 2.619 179.282 176.870 -0.345 0.000 1.094 187 L CA 0.633 55.415 54.840 -0.096 0.000 0.790 187 L CB -0.242 41.860 42.059 0.072 0.000 0.932 187 L HN 0.117 nan 8.230 nan 0.000 0.447 188 R N 0.632 120.916 120.500 -0.359 0.000 2.083 188 R HA -0.200 4.140 4.340 -0.000 0.000 0.237 188 R C 2.392 178.511 176.300 -0.301 0.000 1.137 188 R CA 2.000 57.827 56.100 -0.456 0.000 0.951 188 R CB -0.311 29.847 30.300 -0.235 0.000 0.851 188 R HN 0.438 nan 8.270 nan 0.000 0.434 189 R N 0.368 120.761 120.500 -0.179 0.000 2.200 189 R HA 0.002 4.342 4.340 -0.000 0.000 0.208 189 R C 1.315 177.551 176.300 -0.108 0.000 1.033 189 R CA 1.079 57.108 56.100 -0.119 0.000 1.000 189 R CB -0.134 30.121 30.300 -0.075 0.000 0.906 189 R HN 0.231 nan 8.270 nan 0.000 0.462 190 E N 0.779 120.907 120.200 -0.120 0.000 2.347 190 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 190 E C 1.553 178.098 176.600 -0.091 0.000 1.008 190 E CA 0.586 56.935 56.400 -0.084 0.000 0.852 190 E CB 0.103 29.767 29.700 -0.060 0.000 0.783 190 E HN 0.275 nan 8.360 nan 0.000 0.505 191 L N -0.073 121.056 121.223 -0.156 0.000 2.202 191 L HA 0.151 4.491 4.340 -0.000 0.000 0.205 191 L C 1.918 178.736 176.870 -0.086 0.000 1.083 191 L CA 1.144 55.906 54.840 -0.130 0.000 0.790 191 L CB -0.008 41.909 42.059 -0.238 0.000 0.942 191 L HN -0.071 nan 8.230 nan 0.000 0.452 192 A N -1.231 121.530 122.820 -0.098 0.000 2.261 192 A HA 0.109 4.429 4.320 -0.000 0.000 0.208 192 A C 1.868 179.425 177.584 -0.045 0.000 1.223 192 A CA 0.903 52.902 52.037 -0.064 0.000 0.833 192 A CB -0.721 18.238 19.000 -0.068 0.000 0.830 192 A HN 0.603 nan 8.150 nan 0.000 0.483 193 S N -3.754 111.920 115.700 -0.044 0.000 2.628 193 S HA 0.435 4.904 4.470 -0.000 0.000 0.246 193 S C 1.281 175.868 174.600 -0.020 0.000 1.062 193 S CA 0.982 59.164 58.200 -0.029 0.000 1.028 193 S CB 0.101 63.283 63.200 -0.030 0.000 0.985 193 S HN 1.749 nan 8.310 nan 0.000 0.551 194 G N 1.547 110.335 108.800 -0.021 0.000 2.157 194 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.239 194 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.239 194 G C 0.621 175.519 174.900 -0.003 0.000 0.982 194 G CA 0.396 45.491 45.100 -0.009 0.000 0.650 194 G HN 0.483 nan 8.290 nan 0.000 0.527 195 Q N -0.752 119.043 119.800 -0.009 0.000 2.167 195 Q HA 0.164 4.504 4.340 -0.000 0.000 0.202 195 Q C 1.047 177.055 176.000 0.012 0.000 0.970 195 Q CA 0.900 56.703 55.803 -0.001 0.000 0.855 195 Q CB 0.032 28.766 28.738 -0.007 0.000 0.911 195 Q HN 0.687 nan 8.270 nan 0.000 0.438 196 L N 0.416 121.648 121.223 0.015 0.000 2.329 196 L HA 0.332 4.672 4.340 -0.000 0.000 0.279 196 L C -0.183 176.713 176.870 0.044 0.000 1.014 196 L CA -0.764 54.101 54.840 0.042 0.000 0.814 196 L CB 1.666 43.766 42.059 0.069 0.000 1.257 196 L HN -0.063 nan 8.230 nan 0.000 0.424 197 E N 2.936 123.166 120.200 0.050 0.000 2.585 197 E HA -0.057 4.293 4.350 -0.000 0.000 0.252 197 E C -0.235 176.395 176.600 0.050 0.000 0.981 197 E CA -0.245 56.180 56.400 0.042 0.000 0.943 197 E CB 0.511 30.235 29.700 0.040 0.000 0.923 197 E HN 0.292 nan 8.360 nan 0.000 0.486 198 R N 3.525 124.047 120.500 0.037 0.000 2.357 198 R HA 0.044 4.384 4.340 -0.000 0.000 0.330 198 R C 0.174 176.496 176.300 0.036 0.000 1.102 198 R CA 0.233 56.357 56.100 0.040 0.000 0.974 198 R CB 0.489 30.804 30.300 0.025 0.000 1.002 198 R HN 0.620 nan 8.270 nan 0.000 0.463 199 A N 3.704 126.551 122.820 0.046 0.000 2.028 199 A HA 0.257 4.577 4.320 -0.000 0.000 0.213 199 A C 1.027 178.624 177.584 0.023 0.000 1.486 199 A CA 1.040 53.093 52.037 0.025 0.000 0.597 199 A CB -0.618 18.390 19.000 0.013 0.000 1.089 199 A HN 0.632 nan 8.150 nan 0.000 0.489 200 G N -1.335 107.482 108.800 0.029 0.000 2.795 200 G HA2 0.445 4.405 3.960 -0.000 0.000 0.267 200 G HA3 0.445 4.405 3.960 -0.000 0.000 0.267 200 G C -1.315 173.612 174.900 0.045 0.000 1.362 200 G CA -0.034 45.083 45.100 0.029 0.000 1.048 200 G HN 0.318 nan 8.290 nan 0.000 0.547 201 D N 0.147 120.571 120.400 0.041 0.000 2.383 201 D HA 0.053 4.693 4.640 -0.000 0.000 0.252 201 D C 0.963 177.306 176.300 0.072 0.000 1.166 201 D CA 0.320 54.348 54.000 0.046 0.000 0.879 201 D CB 0.230 41.050 40.800 0.034 0.000 1.164 201 D HN 0.424 nan 8.370 nan 0.000 0.462 202 N N 1.464 120.217 118.700 0.090 0.000 2.741 202 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 202 N C -1.550 174.146 175.510 0.310 0.000 1.115 202 N CA 1.074 54.215 53.050 0.152 0.000 0.724 202 N CB -0.985 37.573 38.487 0.118 0.000 1.090 202 N HN 0.525 nan 8.380 nan 0.000 0.558 203 A N -0.797 122.180 122.820 0.261 0.000 2.572 203 A HA 0.883 5.203 4.320 -0.000 0.000 0.295 203 A C -0.898 176.828 177.584 0.237 0.000 1.072 203 A CA 0.139 52.318 52.037 0.235 0.000 0.691 203 A CB 1.822 20.861 19.000 0.064 0.000 1.291 203 A HN 0.629 nan 8.150 nan 0.000 0.404 204 A N 1.082 124.027 122.820 0.209 0.000 2.386 204 A HA 0.711 5.031 4.320 -0.000 0.000 0.311 204 A C -0.418 177.195 177.584 0.049 0.000 1.068 204 A CA -0.688 51.453 52.037 0.175 0.000 0.743 204 A CB 0.777 19.968 19.000 0.319 0.000 1.258 204 A HN 0.729 nan 8.150 nan 0.000 0.429 205 K N 0.961 121.384 120.400 0.039 0.000 2.436 205 K HA 0.374 4.694 4.320 -0.000 0.000 0.282 205 K C -0.764 175.850 176.600 0.023 0.000 1.044 205 K CA 0.333 56.621 56.287 0.003 0.000 1.028 205 K CB 0.456 32.965 32.500 0.015 0.000 0.919 205 K HN 0.407 nan 8.250 nan 0.000 0.474 206 V N 2.071 121.979 119.914 -0.010 0.000 2.823 206 V HA 0.307 4.427 4.120 -0.000 0.000 0.312 206 V C -0.347 175.871 176.094 0.207 0.000 1.072 206 V CA -0.902 61.457 62.300 0.098 0.000 0.937 206 V CB 2.231 34.136 31.823 0.138 0.000 1.013 206 V HN 0.734 nan 8.190 nan 0.000 0.430 207 S N 2.955 118.822 115.700 0.279 0.000 2.621 207 S HA 0.816 5.285 4.470 -0.000 0.000 0.302 207 S C -0.906 173.898 174.600 0.340 0.000 1.093 207 S CA -0.534 57.872 58.200 0.344 0.000 1.017 207 S CB 1.880 65.201 63.200 0.202 0.000 1.077 207 S HN 0.544 nan 8.310 nan 0.000 0.517 208 L N 2.179 123.564 121.223 0.271 0.000 2.356 208 L HA 0.555 4.895 4.340 -0.000 0.000 0.277 208 L C -0.584 176.329 176.870 0.072 0.000 0.996 208 L CA -0.208 54.652 54.840 0.033 0.000 0.822 208 L CB 1.305 43.111 42.059 -0.421 0.000 1.256 208 L HN 0.563 nan 8.230 nan 0.000 0.413 209 K N 5.159 125.594 120.400 0.058 0.000 2.206 209 K HA 0.551 4.871 4.320 -0.000 0.000 0.264 209 K C -0.750 175.888 176.600 0.064 0.000 0.967 209 K CA -0.640 55.697 56.287 0.084 0.000 0.844 209 K CB 1.031 33.600 32.500 0.115 0.000 1.099 209 K HN 0.661 nan 8.250 nan 0.000 0.441 210 L N 2.135 123.394 121.223 0.061 0.000 2.682 210 L HA 0.173 4.513 4.340 -0.000 0.000 0.209 210 L C 1.894 178.809 176.870 0.076 0.000 1.195 210 L CA -0.153 54.709 54.840 0.036 0.000 0.869 210 L CB 0.153 42.233 42.059 0.035 0.000 1.599 210 L HN 0.820 nan 8.230 nan 0.000 0.518 211 E N 0.177 120.417 120.200 0.067 0.000 2.046 211 E HA -0.218 4.132 4.350 -0.000 0.000 0.190 211 E C 1.368 178.021 176.600 0.088 0.000 0.982 211 E CA 1.770 58.227 56.400 0.096 0.000 0.800 211 E CB 0.154 29.929 29.700 0.126 0.000 0.756 211 E HN 0.823 nan 8.360 nan 0.000 0.449 212 D N -1.711 118.729 120.400 0.067 0.000 2.162 212 D HA 0.018 4.657 4.640 -0.000 0.000 0.203 212 D C 1.387 177.718 176.300 0.052 0.000 0.967 212 D CA 1.233 55.264 54.000 0.051 0.000 0.840 212 D CB 0.042 40.867 40.800 0.040 0.000 0.972 212 D HN 0.324 nan 8.370 nan 0.000 0.482 213 G N -1.081 107.755 108.800 0.061 0.000 2.870 213 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.216 213 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.216 213 G C 0.083 175.015 174.900 0.054 0.000 0.973 213 G CA -0.009 45.125 45.100 0.057 0.000 0.807 213 G HN 0.303 nan 8.290 nan 0.000 0.573 214 S N 0.234 115.966 115.700 0.054 0.000 2.566 214 S HA 0.402 4.872 4.470 -0.000 0.000 0.280 214 S C 0.182 174.823 174.600 0.069 0.000 1.343 214 S CA 0.215 58.447 58.200 0.054 0.000 1.036 214 S CB 1.587 64.820 63.200 0.054 0.000 0.866 214 S HN 0.542 nan 8.310 nan 0.000 0.526 215 Q N 1.084 120.923 119.800 0.065 0.000 2.314 215 Q HA 0.322 4.662 4.340 -0.000 0.000 0.259 215 Q C -1.477 174.586 176.000 0.104 0.000 0.951 215 Q CA -0.470 55.382 55.803 0.082 0.000 0.909 215 Q CB 0.565 29.337 28.738 0.057 0.000 1.236 215 Q HN 0.619 nan 8.270 nan 0.000 0.444 216 Y N 6.964 127.270 120.300 0.009 0.000 2.480 216 Y HA 0.325 4.875 4.550 -0.000 0.000 0.341 216 Y C -1.772 174.158 175.900 0.050 0.000 1.031 216 Y CA -2.246 55.859 58.100 0.008 0.000 1.295 216 Y CB 1.086 39.519 38.460 -0.045 0.000 1.162 216 Y HN 0.621 nan 8.280 nan 0.000 0.523 217 P HA 0.107 nan 4.420 nan 0.000 0.236 217 P C 0.065 177.195 177.300 -0.284 0.000 1.709 217 P CA 0.542 63.488 63.100 -0.257 0.000 0.942 217 P CB 0.258 31.839 31.700 -0.199 0.000 1.615 218 L N -0.541 120.510 121.223 -0.287 0.000 2.713 218 L HA 0.219 4.559 4.340 -0.000 0.000 0.223 218 L C 0.094 177.038 176.870 0.124 0.000 1.040 218 L CA 0.121 54.920 54.840 -0.068 0.000 0.894 218 L CB 0.325 42.353 42.059 -0.051 0.000 1.361 218 L HN 0.079 nan 8.230 nan 0.000 0.490 219 E N -1.230 119.172 120.200 0.337 0.000 8.933 219 E HA -0.057 4.293 4.350 -0.000 0.000 0.476 219 E C -0.642 175.948 176.600 -0.016 0.000 1.294 219 E CA 0.397 56.966 56.400 0.281 0.000 2.268 219 E CB -1.464 28.305 29.700 0.115 0.000 1.014 219 E HN 0.249 nan 8.360 nan 0.000 0.263 220 G N 1.263 109.749 108.800 -0.523 0.000 3.354 220 G HA2 0.674 4.634 3.960 -0.000 0.000 0.174 220 G HA3 0.674 4.634 3.960 -0.000 0.000 0.174 220 G C -0.766 173.834 174.900 -0.501 0.000 1.140 220 G CA -0.151 44.443 45.100 -0.844 0.000 0.897 220 G HN 0.802 nan 8.290 nan 0.000 0.685 221 R N -1.386 118.794 120.500 -0.533 0.000 2.692 221 R HA 0.615 4.955 4.340 -0.000 0.000 0.269 221 R C -2.526 173.643 176.300 -0.219 0.000 1.030 221 R CA -0.658 55.293 56.100 -0.248 0.000 0.882 221 R CB 1.948 32.158 30.300 -0.149 0.000 1.250 221 R HN 0.721 nan 8.270 nan 0.000 0.465 222 L N 2.087 123.202 121.223 -0.180 0.000 2.528 222 L HA 0.478 4.818 4.340 -0.000 0.000 0.267 222 L C -1.531 175.088 176.870 -0.418 0.000 0.961 222 L CA -0.302 54.375 54.840 -0.272 0.000 0.866 222 L CB 1.900 43.769 42.059 -0.318 0.000 1.248 222 L HN 0.684 nan 8.230 nan 0.000 0.404 223 E N 2.962 122.969 120.200 -0.321 0.000 2.229 223 E HA 0.346 4.696 4.350 -0.000 0.000 0.283 223 E C -0.126 176.269 176.600 -0.341 0.000 1.030 223 E CA 0.277 56.528 56.400 -0.248 0.000 0.836 223 E CB 0.735 30.365 29.700 -0.116 0.000 1.068 223 E HN 0.548 nan 8.360 nan 0.000 0.401 224 F N 0.635 120.579 119.950 -0.011 0.000 2.374 224 F HA 0.011 4.538 4.527 -0.000 0.000 0.291 224 F C 1.155 176.944 175.800 -0.018 0.000 1.084 224 F CA -0.081 57.913 58.000 -0.011 0.000 1.413 224 F CB -0.036 38.961 39.000 -0.005 0.000 1.099 224 F HN 0.270 nan 8.300 nan 0.000 0.534 225 S N 2.066 117.856 115.700 0.150 0.000 2.714 225 S HA -0.109 4.361 4.470 -0.000 0.000 0.318 225 S C -0.012 174.597 174.600 0.016 0.000 1.219 225 S CA -0.316 57.924 58.200 0.066 0.000 1.175 225 S CB -0.276 62.949 63.200 0.042 0.000 0.961 225 S HN 0.336 nan 8.310 nan 0.000 0.518 226 E N 2.848 123.058 120.200 0.017 0.000 2.384 226 E HA 0.095 4.445 4.350 -0.000 0.000 0.266 226 E C 0.526 177.101 176.600 -0.042 0.000 1.012 226 E CA -0.427 55.967 56.400 -0.011 0.000 0.901 226 E CB 0.723 30.426 29.700 0.004 0.000 0.967 226 E HN 0.499 nan 8.360 nan 0.000 0.435 227 V N 3.279 123.148 119.914 -0.074 0.000 2.251 227 V HA -0.097 4.023 4.120 -0.000 0.000 0.237 227 V C 0.704 176.757 176.094 -0.069 0.000 1.040 227 V CA 1.475 63.718 62.300 -0.094 0.000 1.005 227 V CB -0.220 31.510 31.823 -0.155 0.000 0.645 227 V HN 0.773 nan 8.190 nan 0.000 0.458 228 S N 0.389 116.049 115.700 -0.066 0.000 2.449 228 S HA 0.680 5.150 4.470 -0.000 0.000 0.310 228 S C -0.739 173.842 174.600 -0.032 0.000 1.096 228 S CA -0.694 57.477 58.200 -0.049 0.000 1.095 228 S CB 1.435 64.603 63.200 -0.053 0.000 1.007 228 S HN 0.143 nan 8.310 nan 0.000 0.474 229 V N 1.606 121.506 119.914 -0.024 0.000 2.953 229 V HA 0.544 4.664 4.120 -0.000 0.000 0.304 229 V C 0.054 176.140 176.094 -0.013 0.000 1.073 229 V CA -0.508 61.783 62.300 -0.015 0.000 1.064 229 V CB 1.139 32.956 31.823 -0.011 0.000 1.047 229 V HN 1.053 nan 8.190 nan 0.000 0.478 230 D N 0.139 120.534 120.400 -0.008 0.000 2.934 230 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 230 D C 0.501 176.800 176.300 -0.003 0.000 1.293 230 D CA -0.324 53.672 54.000 -0.007 0.000 0.812 230 D CB 0.378 41.174 40.800 -0.007 0.000 1.439 230 D HN 0.616 nan 8.370 nan 0.000 0.555 231 E N 0.588 120.786 120.200 -0.003 0.000 2.445 231 E HA 0.032 4.382 4.350 -0.000 0.000 0.204 231 E C 1.373 177.973 176.600 -0.000 0.000 1.194 231 E CA 0.359 56.759 56.400 -0.001 0.000 0.950 231 E CB 0.352 30.051 29.700 -0.002 0.000 0.976 231 E HN 0.580 nan 8.360 nan 0.000 0.519 232 G N 0.162 108.962 108.800 -0.000 0.000 2.599 232 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.210 232 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.210 232 G C 1.287 176.188 174.900 0.002 0.000 1.177 232 G CA 0.576 45.676 45.100 0.000 0.000 0.835 232 G HN 0.177 nan 8.290 nan 0.000 0.575 233 T N -0.415 114.141 114.554 0.003 0.000 3.216 233 T HA 0.347 4.697 4.350 -0.000 0.000 0.167 233 T C 1.279 175.984 174.700 0.007 0.000 0.905 233 T CA 0.343 62.446 62.100 0.005 0.000 1.042 233 T CB -0.193 68.679 68.868 0.006 0.000 1.787 233 T HN 0.257 nan 8.240 nan 0.000 0.355 234 G N 2.465 111.270 108.800 0.008 0.000 2.915 234 G HA2 0.369 4.329 3.960 -0.000 0.000 0.298 234 G HA3 0.369 4.329 3.960 -0.000 0.000 0.298 234 G C 1.004 175.909 174.900 0.008 0.000 0.837 234 G CA 0.104 45.210 45.100 0.011 0.000 1.752 234 G HN 0.491 nan 8.290 nan 0.000 0.526 235 S N 0.325 116.030 115.700 0.008 0.000 2.461 235 S HA -0.126 4.344 4.470 -0.000 0.000 0.249 235 S C 0.828 175.430 174.600 0.004 0.000 1.012 235 S CA 0.714 58.916 58.200 0.005 0.000 0.982 235 S CB -0.130 63.073 63.200 0.006 0.000 0.764 235 S HN 0.285 nan 8.310 nan 0.000 0.506 236 V N 0.478 120.396 119.914 0.006 0.000 2.876 236 V HA 0.573 4.693 4.120 -0.000 0.000 0.312 236 V C -0.497 175.596 176.094 -0.003 0.000 1.085 236 V CA -0.602 61.701 62.300 0.004 0.000 0.945 236 V CB 2.346 34.179 31.823 0.017 0.000 1.017 236 V HN 0.262 nan 8.190 nan 0.000 0.428 237 T N 5.358 119.901 114.554 -0.017 0.000 2.928 237 T HA 0.692 5.042 4.350 -0.000 0.000 0.296 237 T C -0.582 174.086 174.700 -0.053 0.000 1.000 237 T CA -0.217 61.864 62.100 -0.032 0.000 0.989 237 T CB 1.181 70.023 68.868 -0.042 0.000 1.005 237 T HN 0.662 nan 8.240 nan 0.000 0.442 238 I N 0.388 120.921 120.570 -0.062 0.000 3.067 238 I HA 0.884 5.054 4.170 -0.000 0.000 0.312 238 I C -0.620 175.420 176.117 -0.128 0.000 1.073 238 I CA -1.660 59.578 61.300 -0.102 0.000 1.016 238 I CB 2.168 40.107 38.000 -0.101 0.000 1.227 238 I HN 0.567 nan 8.210 nan 0.000 0.456 239 R N 2.372 122.767 120.500 -0.175 0.000 2.807 239 R HA 0.909 5.249 4.340 -0.000 0.000 0.276 239 R C -1.436 174.814 176.300 -0.084 0.000 0.979 239 R CA -0.918 55.087 56.100 -0.159 0.000 0.928 239 R CB 1.911 31.994 30.300 -0.360 0.000 1.191 239 R HN 0.843 nan 8.270 nan 0.000 0.471 240 A N 1.903 124.758 122.820 0.059 0.000 2.337 240 A HA 0.582 4.902 4.320 -0.000 0.000 0.329 240 A C -0.695 177.078 177.584 0.314 0.000 1.146 240 A CA -0.870 51.251 52.037 0.139 0.000 0.800 240 A CB 1.798 20.943 19.000 0.241 0.000 1.220 240 A HN 0.440 nan 8.150 nan 0.000 0.472 241 V N 2.724 122.743 119.914 0.176 0.000 2.311 241 V HA 0.384 4.504 4.120 -0.000 0.000 0.275 241 V C -1.119 174.987 176.094 0.020 0.000 1.022 241 V CA -0.058 62.376 62.300 0.223 0.000 0.830 241 V CB -0.069 31.888 31.823 0.225 0.000 1.012 241 V HN 0.673 nan 8.190 nan 0.000 0.452 242 F N 5.858 125.837 119.950 0.048 0.000 2.436 242 F HA 0.545 5.072 4.527 -0.000 0.000 0.340 242 F C -2.141 173.670 175.800 0.019 0.000 1.113 242 F CA -2.748 55.268 58.000 0.026 0.000 1.022 242 F CB 1.993 40.957 39.000 -0.059 0.000 1.128 242 F HN 0.311 nan 8.300 nan 0.000 0.466 243 P HA 0.036 nan 4.420 nan 0.000 0.266 243 P C -0.722 176.711 177.300 0.221 0.000 1.215 243 P CA 0.113 63.291 63.100 0.130 0.000 0.763 243 P CB 0.361 32.117 31.700 0.092 0.000 0.806 244 N N 4.759 123.532 118.700 0.120 0.000 2.804 244 N HA 0.204 4.944 4.740 -0.000 0.000 0.251 244 N C -1.876 173.667 175.510 0.055 0.000 1.250 244 N CA -2.388 50.740 53.050 0.130 0.000 0.820 244 N CB 0.749 39.268 38.487 0.053 0.000 1.156 244 N HN 0.163 nan 8.380 nan 0.000 0.512 245 P HA -0.014 nan 4.420 nan 0.000 0.233 245 P C -0.757 176.548 177.300 0.008 0.000 1.167 245 P CA 0.738 63.846 63.100 0.014 0.000 0.770 245 P CB 0.162 31.870 31.700 0.014 0.000 0.837 246 N N -0.719 117.997 118.700 0.026 0.000 2.396 246 N HA 0.040 4.780 4.740 -0.000 0.000 0.275 246 N C -0.942 174.584 175.510 0.027 0.000 1.218 246 N CA -0.711 52.349 53.050 0.017 0.000 0.812 246 N CB 0.523 39.019 38.487 0.016 0.000 1.592 246 N HN -0.254 nan 8.380 nan 0.000 0.480 247 N N 0.272 118.980 118.700 0.012 0.000 2.411 247 N HA -0.061 4.679 4.740 -0.000 0.000 0.261 247 N C -0.149 175.377 175.510 0.027 0.000 1.248 247 N CA 1.074 54.130 53.050 0.010 0.000 0.885 247 N CB 0.732 39.218 38.487 -0.000 0.000 1.062 247 N HN 0.801 nan 8.380 nan 0.000 0.471 248 E N 2.172 122.391 120.200 0.031 0.000 2.597 248 E HA 0.183 4.533 4.350 -0.000 0.000 0.256 248 E C -0.614 175.996 176.600 0.016 0.000 1.120 248 E CA -0.145 56.288 56.400 0.055 0.000 1.824 248 E CB 0.036 29.821 29.700 0.141 0.000 3.035 248 E HN 0.460 nan 8.360 nan 0.000 1.045 249 L N 2.808 124.014 121.223 -0.028 0.000 2.307 249 L HA 0.532 4.872 4.340 -0.000 0.000 0.282 249 L C -0.650 176.168 176.870 -0.087 0.000 1.051 249 L CA -0.469 54.305 54.840 -0.110 0.000 0.804 249 L CB 1.117 43.028 42.059 -0.246 0.000 1.197 249 L HN 0.075 nan 8.230 nan 0.000 0.431 250 L N 3.713 124.881 121.223 -0.090 0.000 2.388 250 L HA 0.571 4.911 4.340 -0.000 0.000 0.264 250 L C -2.325 174.490 176.870 -0.093 0.000 0.998 250 L CA -1.958 52.837 54.840 -0.075 0.000 0.817 250 L CB 2.221 44.246 42.059 -0.057 0.000 1.338 250 L HN 0.309 nan 8.230 nan 0.000 0.414 251 P HA 0.096 nan 4.420 nan 0.000 0.266 251 P C 0.455 177.681 177.300 -0.123 0.000 1.180 251 P CA 1.130 64.178 63.100 -0.087 0.000 0.765 251 P CB 0.482 32.145 31.700 -0.060 0.000 0.806 252 G N 2.365 111.066 108.800 -0.164 0.000 2.520 252 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 252 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 252 G C -0.465 174.235 174.900 -0.334 0.000 1.161 252 G CA -0.063 44.878 45.100 -0.265 0.000 0.946 252 G HN 0.633 nan 8.290 nan 0.000 0.565 253 M N -0.674 118.694 119.600 -0.387 0.000 4.000 253 M HA -0.129 4.351 4.480 -0.000 0.000 0.157 253 M C -0.147 175.971 176.300 -0.303 0.000 1.525 253 M CA 0.357 55.485 55.300 -0.286 0.000 1.083 253 M CB -0.974 31.521 32.600 -0.175 0.000 1.343 253 M HN 0.604 nan 8.290 nan 0.000 0.245 254 F N 2.606 122.493 119.950 -0.105 0.000 2.578 254 F HA 0.385 4.912 4.527 -0.000 0.000 0.381 254 F C 0.984 176.652 175.800 -0.220 0.000 1.069 254 F CA -0.149 57.756 58.000 -0.158 0.000 1.231 254 F CB 0.048 38.965 39.000 -0.137 0.000 1.086 254 F HN 0.296 nan 8.300 nan 0.000 0.564 255 V N 0.276 120.101 119.914 -0.148 0.000 3.156 255 V HA 0.617 4.737 4.120 -0.000 0.000 0.311 255 V C -0.944 174.890 176.094 -0.434 0.000 1.208 255 V CA -0.996 61.167 62.300 -0.228 0.000 1.063 255 V CB 2.424 34.140 31.823 -0.178 0.000 1.098 255 V HN 0.647 nan 8.190 nan 0.000 0.452 256 H N 0.773 119.844 119.070 0.002 0.000 2.823 256 H HA 0.711 5.267 4.556 -0.000 0.000 0.332 256 H C -0.188 175.147 175.328 0.013 0.000 0.980 256 H CA 0.112 56.169 56.048 0.015 0.000 1.286 256 H CB 1.813 31.589 29.762 0.024 0.000 1.541 256 H HN 1.123 nan 8.280 nan 0.000 0.521 257 A N 4.121 127.018 122.820 0.128 0.000 2.350 257 A HA 0.185 4.505 4.320 -0.000 0.000 0.293 257 A C 0.289 177.959 177.584 0.142 0.000 1.231 257 A CA -0.425 51.687 52.037 0.125 0.000 0.883 257 A CB 0.118 19.193 19.000 0.125 0.000 1.133 257 A HN 0.695 nan 8.150 nan 0.000 0.533 258 Q N 2.817 122.707 119.800 0.150 0.000 2.377 258 Q HA 0.400 4.740 4.340 -0.000 0.000 0.249 258 Q C -0.426 175.651 176.000 0.129 0.000 1.005 258 Q CA -0.220 55.659 55.803 0.126 0.000 0.912 258 Q CB 1.099 29.906 28.738 0.116 0.000 1.223 258 Q HN 0.758 nan 8.270 nan 0.000 0.459 259 L N 0.000 121.288 121.223 0.109 0.000 2.949 259 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 259 L CA 0.000 54.902 54.840 0.103 0.000 0.813 259 L CB 0.000 42.120 42.059 0.102 0.000 0.961 259 L HN 0.000 nan 8.230 nan 0.000 0.502