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 2ifg_1_B DATA FIRST_RESID 36 DATA SEQUENCE cPDAccPHGS SGLRcTRDGA LDSLHHLPGA ENLTELYIEN QQHLQHLELR DATA SEQUENCE DLRGLGELRN LTIVKSGLRF VAPDAFHFTP RLSRLNLSFN ALESLSWKTV DATA SEQUENCE QGLSLQELVL SGNPLHcScA LRWLQRWEEE GLGGVPEQKL QcHGQGPLAH DATA SEQUENCE MPNAScGVPT LKVQVPNASV DVGDDVLLRc QVEGRGLEQA GWILTELEQS DATA SEQUENCE ATVMKSGGLP SLGLTLANVT SDLNRKNVTc WAENDVGRAE VSVQVNVSFP DATA SEQUENCE ASVQLHTAVE MHHWcIPFSV DGQPAPSLRW LFNGSVLNET SFIFTEFLEP DATA SEQUENCE AANETVRHGc LRLNQPTHVN NGNYTLLAAN PFGQASASIM AAFMDNP 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 36 c HA 0.000 nan 4.570 nan 0.000 0.325 36 c C 0.000 174.088 174.090 -0.003 0.000 1.270 36 c CA 0.000 56.327 56.329 -0.004 0.000 1.963 36 c CB 0.000 42.508 42.510 -0.003 0.000 2.134 37 P HA 0.603 nan 4.420 nan 0.000 0.278 37 P C 0.083 177.380 177.300 -0.004 0.000 1.238 37 P CA 0.248 63.346 63.100 -0.003 0.000 0.794 37 P CB 0.941 32.638 31.700 -0.004 0.000 0.955 38 D N -0.328 120.070 120.400 -0.004 0.000 1.756 38 D HA 0.055 4.693 4.640 -0.004 0.000 0.648 38 D C 0.415 176.713 176.300 -0.003 0.000 0.769 38 D CA 0.662 54.659 54.000 -0.004 0.000 1.133 38 D CB 0.265 41.062 40.800 -0.004 0.000 1.444 38 D HN 0.294 nan 8.370 nan 0.000 0.482 39 A N -0.021 122.798 122.820 -0.002 0.000 2.654 39 A HA 0.421 4.739 4.320 -0.004 0.000 0.203 39 A C 0.244 177.830 177.584 0.004 0.000 1.306 39 A CA 0.506 52.544 52.037 0.001 0.000 1.041 39 A CB -0.068 18.934 19.000 0.004 0.000 1.217 39 A HN 0.288 nan 8.150 nan 0.000 0.510 40 c N -2.768 115.833 118.600 0.002 0.000 3.213 40 c HA 0.457 5.025 4.570 -0.004 0.000 0.378 40 c C 0.994 175.088 174.090 0.007 0.000 2.095 40 c CA 0.761 57.094 56.329 0.008 0.000 1.161 40 c CB 0.883 43.400 42.510 0.012 0.000 2.466 40 c HN 2.036 nan 8.230 nan 0.000 0.426 41 c N -0.726 117.883 118.600 0.015 0.000 4.417 41 c HA -0.099 4.469 4.570 -0.004 0.000 0.284 41 c C -0.555 173.549 174.090 0.024 0.000 1.379 41 c CA 0.512 56.852 56.329 0.017 0.000 1.918 41 c CB -3.555 38.959 42.510 0.006 0.000 1.280 41 c HN 0.903 nan 8.230 nan 0.000 0.783 42 P HA 0.083 nan 4.420 nan 0.000 0.214 42 P C 1.180 178.531 177.300 0.085 0.000 1.110 42 P CA 1.623 64.737 63.100 0.023 0.000 0.659 42 P CB -0.323 31.367 31.700 -0.016 0.000 0.803 43 H N -0.807 118.217 119.070 -0.077 0.000 1.452 43 H HA -0.246 4.307 4.556 -0.004 0.000 0.090 43 H C 1.017 176.319 175.328 -0.044 0.000 2.623 43 H CA 1.989 57.991 56.048 -0.077 0.000 1.901 43 H CB -1.583 28.144 29.762 -0.059 0.000 2.257 43 H HN 0.578 nan 8.280 nan 0.000 0.961 44 G N -1.368 107.770 108.800 0.563 0.000 3.824 44 G HA2 0.198 4.156 3.960 -0.004 0.000 0.198 44 G HA3 0.198 4.156 3.960 -0.004 0.000 0.198 44 G C 0.548 175.522 174.900 0.124 0.000 1.400 44 G CA 0.773 46.023 45.100 0.250 0.000 0.912 44 G HN 0.697 nan 8.290 nan 0.000 0.638 45 S N 0.355 116.114 115.700 0.099 0.000 2.305 45 S HA 0.359 4.827 4.470 -0.004 0.000 0.239 45 S C 1.071 175.528 174.600 -0.240 0.000 1.259 45 S CA 0.380 58.539 58.200 -0.069 0.000 0.998 45 S CB 0.259 63.452 63.200 -0.012 0.000 0.967 45 S HN 0.321 nan 8.310 nan 0.000 0.469 46 S N 1.073 116.644 115.700 -0.215 0.000 4.051 46 S HA 0.410 4.878 4.470 -0.004 0.000 0.215 46 S C -0.085 174.328 174.600 -0.313 0.000 1.289 46 S CA -0.514 57.572 58.200 -0.190 0.000 0.907 46 S CB -1.514 61.628 63.200 -0.097 0.000 1.603 46 S HN 0.688 nan 8.310 nan 0.000 0.453 47 G N 2.990 111.501 108.800 -0.482 0.000 2.643 47 G HA2 0.596 4.553 3.960 -0.004 0.000 0.305 47 G HA3 0.596 4.553 3.960 -0.004 0.000 0.305 47 G C -1.236 173.614 174.900 -0.083 0.000 1.387 47 G CA -0.687 44.136 45.100 -0.462 0.000 0.982 47 G HN 0.552 nan 8.290 nan 0.000 0.501 48 L N 2.631 123.886 121.223 0.053 0.000 2.295 48 L HA 0.507 4.845 4.340 -0.004 0.000 0.281 48 L C 0.187 177.147 176.870 0.149 0.000 1.018 48 L CA -0.622 54.268 54.840 0.082 0.000 0.841 48 L CB 1.401 43.493 42.059 0.056 0.000 1.218 48 L HN 0.343 nan 8.230 nan 0.000 0.424 49 R N 2.784 123.345 120.500 0.102 0.000 2.310 49 R HA 0.466 4.803 4.340 -0.004 0.000 0.324 49 R C -0.768 175.558 176.300 0.043 0.000 0.955 49 R CA -0.476 55.661 56.100 0.061 0.000 0.830 49 R CB 1.397 31.645 30.300 -0.087 0.000 1.154 49 R HN 0.622 nan 8.270 nan 0.000 0.458 50 c N 1.684 120.330 118.600 0.077 0.000 3.206 50 c HA 0.140 4.708 4.570 -0.004 0.000 0.206 50 c C 0.632 174.759 174.090 0.060 0.000 1.836 50 c CA -0.865 55.495 56.329 0.052 0.000 1.382 50 c CB -0.201 42.340 42.510 0.053 0.000 2.405 50 c HN 0.730 nan 8.230 nan 0.000 0.516 51 T N 3.040 117.625 114.554 0.051 0.000 4.052 51 T HA 0.104 4.452 4.350 -0.004 0.000 0.215 51 T C 0.343 175.059 174.700 0.027 0.000 0.914 51 T CA 1.319 63.450 62.100 0.051 0.000 1.461 51 T CB -0.435 68.448 68.868 0.025 0.000 1.233 51 T HN 0.798 nan 8.240 nan 0.000 0.829 52 R N 0.823 121.343 120.500 0.034 0.000 3.000 52 R HA 0.106 4.443 4.340 -0.004 0.000 0.280 52 R C -1.577 174.740 176.300 0.029 0.000 0.950 52 R CA -0.885 55.228 56.100 0.022 0.000 0.822 52 R CB 0.533 30.840 30.300 0.011 0.000 1.445 52 R HN 0.373 nan 8.270 nan 0.000 0.492 53 D N -0.079 120.332 120.400 0.019 0.000 2.777 53 D HA -0.007 4.630 4.640 -0.004 0.000 0.218 53 D C -0.090 176.240 176.300 0.050 0.000 1.153 53 D CA 2.031 56.046 54.000 0.024 0.000 0.846 53 D CB 0.541 41.349 40.800 0.013 0.000 1.209 53 D HN 0.637 nan 8.370 nan 0.000 0.517 54 G N 1.475 110.323 108.800 0.080 0.000 2.406 54 G HA2 0.483 4.440 3.960 -0.004 0.000 0.251 54 G HA3 0.483 4.440 3.960 -0.004 0.000 0.251 54 G C -0.270 174.685 174.900 0.093 0.000 1.271 54 G CA 0.045 45.206 45.100 0.103 0.000 0.859 54 G HN 0.759 nan 8.290 nan 0.000 0.540 55 A N 2.769 125.622 122.820 0.055 0.000 3.165 55 A HA 0.358 4.676 4.320 -0.004 0.000 0.212 55 A C 0.890 178.469 177.584 -0.008 0.000 0.935 55 A CA -0.405 51.648 52.037 0.028 0.000 1.100 55 A CB -0.169 18.842 19.000 0.018 0.000 1.260 55 A HN 0.571 nan 8.150 nan 0.000 0.532 56 L N -0.668 120.553 121.223 -0.003 0.000 2.558 56 L HA 0.049 4.386 4.340 -0.004 0.000 0.225 56 L C 1.308 178.151 176.870 -0.045 0.000 1.128 56 L CA 0.068 54.858 54.840 -0.082 0.000 0.868 56 L CB -0.175 41.889 42.059 0.009 0.000 1.006 56 L HN 0.376 nan 8.230 nan 0.000 0.454 57 D N 0.513 120.926 120.400 0.021 0.000 2.158 57 D HA -0.163 4.475 4.640 -0.004 0.000 0.197 57 D C 1.547 177.861 176.300 0.023 0.000 0.995 57 D CA 1.583 55.611 54.000 0.047 0.000 0.846 57 D CB 0.151 40.948 40.800 -0.006 0.000 0.941 57 D HN 0.243 nan 8.370 nan 0.000 0.456 58 S N -0.307 115.375 115.700 -0.031 0.000 2.650 58 S HA 0.116 4.583 4.470 -0.004 0.000 0.240 58 S C 1.107 175.702 174.600 -0.008 0.000 1.007 58 S CA -0.385 57.794 58.200 -0.035 0.000 0.984 58 S CB 0.763 63.917 63.200 -0.075 0.000 0.910 58 S HN 0.025 nan 8.310 nan 0.000 0.509 59 L N 1.575 122.723 121.223 -0.125 0.000 2.629 59 L HA 0.323 4.661 4.340 -0.004 0.000 0.230 59 L C 0.946 177.635 176.870 -0.302 0.000 1.151 59 L CA 0.984 55.692 54.840 -0.221 0.000 0.924 59 L CB -0.396 41.488 42.059 -0.292 0.000 1.137 59 L HN 0.257 nan 8.230 nan 0.000 0.457 60 H N -3.274 115.872 119.070 0.127 0.000 3.091 60 H HA 0.222 4.775 4.556 -0.004 0.000 0.249 60 H C 1.427 176.763 175.328 0.013 0.000 0.985 60 H CA 0.566 56.646 56.048 0.054 0.000 1.177 60 H CB 0.293 30.074 29.762 0.030 0.000 1.456 60 H HN 0.367 nan 8.280 nan 0.000 0.467 61 H N 0.452 119.577 119.070 0.091 0.000 2.306 61 H HA 0.098 4.652 4.556 -0.004 0.000 0.307 61 H C 0.527 175.868 175.328 0.022 0.000 1.061 61 H CA 0.891 56.969 56.048 0.049 0.000 1.359 61 H CB 0.512 30.296 29.762 0.037 0.000 1.407 61 H HN 0.019 nan 8.280 nan 0.000 0.517 62 L N 2.324 123.638 121.223 0.152 0.000 2.551 62 L HA 0.297 4.635 4.340 -0.004 0.000 0.248 62 L C -2.047 174.843 176.870 0.034 0.000 1.509 62 L CA -1.106 53.776 54.840 0.069 0.000 0.842 62 L CB 0.955 43.048 42.059 0.056 0.000 1.087 62 L HN 0.019 nan 8.230 nan 0.000 0.512 63 P HA 0.262 nan 4.420 nan 0.000 0.217 63 P C 0.846 178.144 177.300 -0.004 0.000 1.154 63 P CA 1.525 64.622 63.100 -0.006 0.000 0.841 63 P CB 0.779 32.465 31.700 -0.023 0.000 0.790 64 G N -0.641 108.158 108.800 -0.000 0.000 2.797 64 G HA2 0.160 4.117 3.960 -0.004 0.000 0.195 64 G HA3 0.160 4.117 3.960 -0.004 0.000 0.195 64 G C 0.040 174.936 174.900 -0.006 0.000 1.026 64 G CA 0.052 45.151 45.100 -0.002 0.000 0.759 64 G HN 0.728 nan 8.290 nan 0.000 0.475 65 A N 0.069 122.883 122.820 -0.009 0.000 2.512 65 A HA 0.659 4.977 4.320 -0.004 0.000 0.290 65 A C 0.211 177.786 177.584 -0.015 0.000 1.041 65 A CA 0.509 52.539 52.037 -0.013 0.000 0.911 65 A CB 0.739 19.729 19.000 -0.016 0.000 1.407 65 A HN 0.165 nan 8.150 nan 0.000 0.398 66 E N 0.778 120.967 120.200 -0.019 0.000 2.401 66 E HA -0.123 4.225 4.350 -0.004 0.000 0.199 66 E C 0.714 177.295 176.600 -0.031 0.000 1.023 66 E CA 1.012 57.395 56.400 -0.028 0.000 0.859 66 E CB -0.064 29.608 29.700 -0.048 0.000 0.780 66 E HN 0.671 nan 8.360 nan 0.000 0.523 67 N N 0.629 119.314 118.700 -0.026 0.000 2.530 67 N HA 0.416 5.154 4.740 -0.004 0.000 0.277 67 N C -0.697 174.800 175.510 -0.023 0.000 1.168 67 N CA -0.360 52.675 53.050 -0.025 0.000 0.979 67 N CB 0.477 38.950 38.487 -0.024 0.000 1.141 67 N HN 0.081 nan 8.380 nan 0.000 0.459 68 L N -1.802 119.409 121.223 -0.021 0.000 3.075 68 L HA 0.473 4.811 4.340 -0.004 0.000 0.274 68 L C -0.968 175.892 176.870 -0.017 0.000 1.006 68 L CA -0.868 53.958 54.840 -0.023 0.000 0.972 68 L CB 1.333 43.392 42.059 -0.001 0.000 1.515 68 L HN 0.441 nan 8.230 nan 0.000 0.402 69 T N -1.566 112.977 114.554 -0.019 0.000 3.029 69 T HA 0.283 4.631 4.350 -0.004 0.000 0.256 69 T C -0.239 174.473 174.700 0.020 0.000 0.914 69 T CA 0.149 62.246 62.100 -0.005 0.000 0.880 69 T CB 0.556 69.414 68.868 -0.016 0.000 1.246 69 T HN 0.664 nan 8.240 nan 0.000 0.523 70 E N 1.127 121.359 120.200 0.053 0.000 2.275 70 E HA 0.577 4.925 4.350 -0.004 0.000 0.270 70 E C -1.612 175.095 176.600 0.178 0.000 0.882 70 E CA -0.451 56.021 56.400 0.119 0.000 0.758 70 E CB 2.646 32.548 29.700 0.337 0.000 1.195 70 E HN 0.121 nan 8.360 nan 0.000 0.419 71 L N 3.499 124.766 121.223 0.073 0.000 2.372 71 L HA 0.433 4.770 4.340 -0.004 0.000 0.274 71 L C -1.445 175.467 176.870 0.071 0.000 0.988 71 L CA -0.892 54.033 54.840 0.142 0.000 0.833 71 L CB 0.908 43.022 42.059 0.091 0.000 1.236 71 L HN 0.533 nan 8.230 nan 0.000 0.410 72 Y N 4.697 125.034 120.300 0.061 0.000 2.402 72 Y HA 0.418 4.965 4.550 -0.004 0.000 0.332 72 Y C 0.658 176.583 175.900 0.043 0.000 0.960 72 Y CA -0.615 57.514 58.100 0.048 0.000 1.228 72 Y CB 1.003 39.487 38.460 0.039 0.000 1.120 72 Y HN 0.429 nan 8.280 nan 0.000 0.491 73 I N 2.145 122.802 120.570 0.145 0.000 3.658 73 I HA 0.131 4.299 4.170 -0.004 0.000 0.328 73 I C -0.008 176.162 176.117 0.088 0.000 1.567 73 I CA -0.216 61.151 61.300 0.112 0.000 1.078 73 I CB 0.214 38.274 38.000 0.101 0.000 1.267 73 I HN 0.446 nan 8.210 nan 0.000 0.495 74 E N 1.520 121.772 120.200 0.087 0.000 2.902 74 E HA 0.049 4.397 4.350 -0.004 0.000 0.231 74 E C -0.417 176.205 176.600 0.037 0.000 1.422 74 E CA 0.206 56.639 56.400 0.054 0.000 1.418 74 E CB -0.753 28.969 29.700 0.037 0.000 1.323 74 E HN 0.365 nan 8.360 nan 0.000 0.428 75 N N 0.392 119.120 118.700 0.046 0.000 5.121 75 N HA 0.086 4.824 4.740 -0.004 0.000 0.158 75 N C -1.674 173.857 175.510 0.035 0.000 1.033 75 N CA -0.241 52.827 53.050 0.031 0.000 1.122 75 N CB 0.641 39.139 38.487 0.018 0.000 1.541 75 N HN 0.152 nan 8.380 nan 0.000 0.993 76 Q N 0.838 120.655 119.800 0.028 0.000 2.841 76 Q HA 0.281 4.618 4.340 -0.004 0.000 0.309 76 Q C -0.614 175.382 176.000 -0.007 0.000 0.868 76 Q CA -0.587 55.230 55.803 0.023 0.000 0.760 76 Q CB 1.152 29.923 28.738 0.054 0.000 1.454 76 Q HN 0.422 nan 8.270 nan 0.000 0.449 77 Q N -0.932 118.838 119.800 -0.050 0.000 2.431 77 Q HA 0.182 4.520 4.340 -0.004 0.000 0.244 77 Q C 0.602 176.503 176.000 -0.164 0.000 0.880 77 Q CA 0.843 56.563 55.803 -0.138 0.000 0.954 77 Q CB 0.683 29.276 28.738 -0.241 0.000 1.105 77 Q HN 0.429 nan 8.270 nan 0.000 0.558 78 H N -0.561 118.518 119.070 0.016 0.000 3.483 78 H HA 0.173 4.727 4.556 -0.004 0.000 0.110 78 H C -0.060 175.273 175.328 0.008 0.000 1.563 78 H CA 0.059 56.114 56.048 0.011 0.000 1.592 78 H CB -0.570 29.204 29.762 0.019 0.000 0.828 78 H HN 0.049 nan 8.280 nan 0.000 0.727 79 L N 1.695 123.031 121.223 0.189 0.000 3.339 79 L HA -0.243 4.095 4.340 -0.004 0.000 0.610 79 L C 0.591 177.482 176.870 0.036 0.000 1.015 79 L CA 0.754 55.651 54.840 0.095 0.000 1.223 79 L CB -0.242 41.875 42.059 0.096 0.000 1.327 79 L HN 0.729 nan 8.230 nan 0.000 0.716 80 Q N 2.539 122.315 119.800 -0.040 0.000 2.586 80 Q HA 0.252 4.589 4.340 -0.004 0.000 0.243 80 Q C -0.272 175.594 176.000 -0.223 0.000 0.846 80 Q CA 0.942 56.634 55.803 -0.185 0.000 0.959 80 Q CB 0.535 29.040 28.738 -0.389 0.000 1.227 80 Q HN 0.736 nan 8.270 nan 0.000 0.611 81 H N 1.069 120.180 119.070 0.068 0.000 2.623 81 H HA 0.369 4.922 4.556 -0.004 0.000 0.299 81 H C -1.127 174.221 175.328 0.033 0.000 1.052 81 H CA -0.712 55.366 56.048 0.049 0.000 1.231 81 H CB 0.980 30.735 29.762 -0.011 0.000 1.389 81 H HN 0.122 nan 8.280 nan 0.000 0.469 82 L N 4.904 126.202 121.223 0.126 0.000 2.255 82 L HA 0.230 4.568 4.340 -0.004 0.000 0.289 82 L C 0.451 177.314 176.870 -0.012 0.000 1.046 82 L CA -0.230 54.637 54.840 0.045 0.000 0.816 82 L CB 0.279 42.344 42.059 0.011 0.000 1.197 82 L HN 0.678 nan 8.230 nan 0.000 0.427 83 E N 3.168 123.358 120.200 -0.016 0.000 2.334 83 E HA 0.229 4.577 4.350 -0.004 0.000 0.256 83 E C 0.413 176.972 176.600 -0.068 0.000 0.958 83 E CA -0.867 55.499 56.400 -0.058 0.000 0.821 83 E CB 0.871 30.548 29.700 -0.039 0.000 1.269 83 E HN 0.402 nan 8.360 nan 0.000 0.413 84 L N 0.703 121.872 121.223 -0.091 0.000 2.191 84 L HA -0.087 4.251 4.340 -0.004 0.000 0.212 84 L C 2.296 179.198 176.870 0.054 0.000 1.103 84 L CA 1.641 56.438 54.840 -0.071 0.000 0.769 84 L CB -0.579 41.369 42.059 -0.185 0.000 0.908 84 L HN 0.627 nan 8.230 nan 0.000 0.438 85 R N 0.049 120.557 120.500 0.014 0.000 2.092 85 R HA -0.146 4.191 4.340 -0.004 0.000 0.231 85 R C 1.577 177.857 176.300 -0.034 0.000 1.119 85 R CA 1.720 57.828 56.100 0.013 0.000 0.970 85 R CB -0.701 29.589 30.300 -0.016 0.000 0.864 85 R HN 0.484 nan 8.270 nan 0.000 0.440 86 D N 0.347 120.749 120.400 0.003 0.000 2.263 86 D HA -0.137 4.501 4.640 -0.004 0.000 0.208 86 D C 1.030 177.367 176.300 0.063 0.000 0.971 86 D CA 0.839 54.861 54.000 0.036 0.000 0.867 86 D CB 0.242 41.085 40.800 0.071 0.000 0.929 86 D HN 0.192 nan 8.370 nan 0.000 0.492 87 L N -0.058 121.223 121.223 0.098 0.000 2.728 87 L HA 0.139 4.476 4.340 -0.004 0.000 0.238 87 L C 0.687 177.611 176.870 0.090 0.000 1.143 87 L CA -0.295 54.653 54.840 0.181 0.000 0.937 87 L CB 0.002 42.245 42.059 0.306 0.000 1.225 87 L HN -0.282 nan 8.230 nan 0.000 0.507 88 R N 2.203 122.695 120.500 -0.014 0.000 3.110 88 R HA 0.341 4.679 4.340 -0.004 0.000 0.347 88 R C 0.033 176.086 176.300 -0.411 0.000 0.931 88 R CA 0.524 56.530 56.100 -0.156 0.000 1.003 88 R CB -0.966 29.223 30.300 -0.184 0.000 0.955 88 R HN 0.296 nan 8.270 nan 0.000 0.405 89 G N 4.569 112.896 108.800 -0.788 0.000 1.853 89 G HA2 0.083 4.041 3.960 -0.004 0.000 0.225 89 G HA3 0.083 4.041 3.960 -0.004 0.000 0.225 89 G C -0.919 173.649 174.900 -0.554 0.000 1.960 89 G CA -1.012 43.797 45.100 -0.485 0.000 0.909 89 G HN 0.420 nan 8.290 nan 0.000 0.599 90 L N 1.304 122.212 121.223 -0.525 0.000 2.640 90 L HA 0.411 4.749 4.340 -0.004 0.000 0.280 90 L C 1.143 177.923 176.870 -0.150 0.000 1.229 90 L CA 1.141 55.799 54.840 -0.302 0.000 0.919 90 L CB 0.388 42.353 42.059 -0.157 0.000 1.168 90 L HN 0.738 nan 8.230 nan 0.000 0.496 91 G N 2.300 111.054 108.800 -0.077 0.000 2.703 91 G HA2 0.400 4.358 3.960 -0.004 0.000 0.294 91 G HA3 0.400 4.358 3.960 -0.004 0.000 0.294 91 G C -1.540 173.362 174.900 0.002 0.000 1.451 91 G CA -0.476 44.606 45.100 -0.031 0.000 0.869 91 G HN 0.455 nan 8.290 nan 0.000 0.516 92 E N 1.182 121.382 120.200 -0.000 0.000 2.136 92 E HA 0.411 4.759 4.350 -0.004 0.000 0.246 92 E C -0.573 176.030 176.600 0.005 0.000 1.017 92 E CA -0.526 55.877 56.400 0.005 0.000 0.883 92 E CB 0.320 30.020 29.700 -0.001 0.000 1.199 92 E HN 0.479 nan 8.360 nan 0.000 0.447 93 L N 4.126 125.357 121.223 0.013 0.000 2.309 93 L HA 0.529 4.867 4.340 -0.004 0.000 0.282 93 L C 0.616 177.482 176.870 -0.006 0.000 1.036 93 L CA -0.411 54.434 54.840 0.008 0.000 0.806 93 L CB 0.946 43.019 42.059 0.023 0.000 1.220 93 L HN 0.473 nan 8.230 nan 0.000 0.429 94 R N 2.123 122.616 120.500 -0.012 0.000 2.316 94 R HA 0.284 4.622 4.340 -0.004 0.000 0.201 94 R C -0.514 175.761 176.300 -0.041 0.000 0.888 94 R CA -0.133 55.955 56.100 -0.021 0.000 1.041 94 R CB 0.468 30.765 30.300 -0.005 0.000 1.115 94 R HN 0.581 nan 8.270 nan 0.000 0.559 95 N N 1.157 119.827 118.700 -0.049 0.000 2.399 95 N HA 0.238 4.976 4.740 -0.004 0.000 0.284 95 N C -1.798 173.630 175.510 -0.137 0.000 1.025 95 N CA -0.508 52.484 53.050 -0.097 0.000 0.885 95 N CB 2.735 41.164 38.487 -0.097 0.000 1.339 95 N HN -0.094 nan 8.380 nan 0.000 0.487 96 L N 1.698 122.830 121.223 -0.152 0.000 2.404 96 L HA 0.505 4.842 4.340 -0.004 0.000 0.272 96 L C -0.836 175.954 176.870 -0.133 0.000 0.980 96 L CA -0.150 54.615 54.840 -0.125 0.000 0.836 96 L CB 1.621 43.639 42.059 -0.068 0.000 1.238 96 L HN 0.405 nan 8.230 nan 0.000 0.408 97 T N 6.772 121.223 114.554 -0.171 0.000 2.756 97 T HA 0.545 4.893 4.350 -0.004 0.000 0.290 97 T C 0.759 175.456 174.700 -0.004 0.000 0.985 97 T CA -0.003 62.028 62.100 -0.115 0.000 0.955 97 T CB 0.709 69.448 68.868 -0.215 0.000 0.930 97 T HN 0.543 nan 8.240 nan 0.000 0.451 98 I N 2.561 123.157 120.570 0.043 0.000 3.817 98 I HA 0.196 4.363 4.170 -0.004 0.000 0.325 98 I C 0.742 176.912 176.117 0.089 0.000 1.550 98 I CA -0.282 61.067 61.300 0.082 0.000 1.100 98 I CB 0.710 38.782 38.000 0.120 0.000 1.216 98 I HN 0.383 nan 8.210 nan 0.000 0.481 99 V N 1.886 121.849 119.914 0.082 0.000 3.503 99 V HA 0.206 4.324 4.120 -0.004 0.000 0.300 99 V C 0.600 176.751 176.094 0.095 0.000 1.099 99 V CA -0.111 62.261 62.300 0.121 0.000 1.117 99 V CB 0.550 32.444 31.823 0.119 0.000 1.122 99 V HN 0.434 nan 8.190 nan 0.000 0.476 100 K N 3.150 123.627 120.400 0.128 0.000 5.502 100 K HA -0.131 4.187 4.320 -0.004 0.000 0.379 100 K C 0.008 176.649 176.600 0.067 0.000 0.908 100 K CA 1.146 57.484 56.287 0.085 0.000 1.130 100 K CB -1.586 30.920 32.500 0.011 0.000 1.893 100 K HN 0.986 nan 8.250 nan 0.000 0.379 101 S N -0.907 114.836 115.700 0.071 0.000 4.310 101 S HA 0.574 5.042 4.470 -0.004 0.000 0.230 101 S C 0.796 175.424 174.600 0.046 0.000 1.101 101 S CA -0.093 58.141 58.200 0.057 0.000 1.153 101 S CB 1.143 64.384 63.200 0.068 0.000 1.962 101 S HN 0.594 nan 8.310 nan 0.000 0.593 102 G N 0.068 108.896 108.800 0.047 0.000 3.601 102 G HA2 0.288 4.246 3.960 -0.004 0.000 0.192 102 G HA3 0.288 4.246 3.960 -0.004 0.000 0.192 102 G C -0.262 174.659 174.900 0.033 0.000 1.184 102 G CA -0.203 44.917 45.100 0.033 0.000 0.891 102 G HN 0.383 nan 8.290 nan 0.000 0.706 103 L N 1.406 122.656 121.223 0.046 0.000 2.573 103 L HA 0.387 4.725 4.340 -0.004 0.000 0.290 103 L C 1.306 178.204 176.870 0.047 0.000 1.247 103 L CA 1.046 55.918 54.840 0.053 0.000 0.876 103 L CB 0.546 42.645 42.059 0.067 0.000 1.123 103 L HN 0.250 nan 8.230 nan 0.000 0.505 104 R N 2.220 122.772 120.500 0.086 0.000 2.729 104 R HA 0.235 4.573 4.340 -0.004 0.000 0.215 104 R C -0.771 175.425 176.300 -0.175 0.000 0.970 104 R CA -0.229 55.866 56.100 -0.009 0.000 1.196 104 R CB 0.432 30.780 30.300 0.080 0.000 1.670 104 R HN 0.505 nan 8.270 nan 0.000 0.575 105 F N 1.371 121.341 119.950 0.032 0.000 2.513 105 F HA 0.392 4.917 4.527 -0.003 0.000 0.358 105 F C -0.595 175.231 175.800 0.043 0.000 1.118 105 F CA -0.892 57.145 58.000 0.063 0.000 1.037 105 F CB 2.156 41.239 39.000 0.138 0.000 1.276 105 F HN -0.324 nan 8.300 nan 0.000 0.446 106 V N 3.649 123.630 119.914 0.112 0.000 2.277 106 V HA 0.583 4.700 4.120 -0.004 0.000 0.269 106 V C 0.492 176.580 176.094 -0.010 0.000 1.036 106 V CA -1.013 61.302 62.300 0.025 0.000 0.821 106 V CB 0.665 32.473 31.823 -0.025 0.000 1.052 106 V HN 0.820 nan 8.190 nan 0.000 0.462 107 A N 7.833 130.649 122.820 -0.006 0.000 2.511 107 A HA 0.409 4.727 4.320 -0.004 0.000 0.242 107 A C -1.665 175.851 177.584 -0.114 0.000 1.069 107 A CA -0.921 51.093 52.037 -0.038 0.000 0.763 107 A CB -0.179 18.798 19.000 -0.039 0.000 1.001 107 A HN 0.652 nan 8.150 nan 0.000 0.498 108 P HA 0.025 nan 4.420 nan 0.000 0.257 108 P C -0.532 176.648 177.300 -0.201 0.000 1.269 108 P CA 0.922 63.914 63.100 -0.180 0.000 1.122 108 P CB 0.739 32.344 31.700 -0.159 0.000 1.285 109 D N 2.645 122.911 120.400 -0.223 0.000 1.818 109 D HA -0.076 4.562 4.640 -0.004 0.000 0.138 109 D C 1.318 177.485 176.300 -0.221 0.000 1.475 109 D CA 1.096 54.956 54.000 -0.234 0.000 0.708 109 D CB -0.810 39.844 40.800 -0.243 0.000 3.175 109 D HN 0.125 nan 8.370 nan 0.000 0.196 110 A N 0.913 123.559 122.820 -0.291 0.000 4.085 110 A HA -0.362 3.956 4.320 -0.004 0.000 0.359 110 A C 1.613 179.027 177.584 -0.283 0.000 1.480 110 A CA 3.293 55.075 52.037 -0.426 0.000 1.017 110 A CB -2.252 16.212 19.000 -0.893 0.000 1.158 110 A HN 0.577 nan 8.150 nan 0.000 0.425 111 F N 0.327 120.294 119.950 0.028 0.000 2.500 111 F HA -0.134 4.391 4.527 -0.003 0.000 0.294 111 F C 1.737 177.564 175.800 0.046 0.000 1.101 111 F CA 1.586 59.617 58.000 0.052 0.000 1.484 111 F CB -1.542 37.470 39.000 0.021 0.000 1.110 111 F HN 0.705 nan 8.300 nan 0.000 0.603 112 H N -0.146 118.905 119.070 -0.031 0.000 2.375 112 H HA -0.279 4.275 4.556 -0.004 0.000 0.289 112 H C 1.940 177.225 175.328 -0.071 0.000 1.121 112 H CA 2.159 58.133 56.048 -0.124 0.000 1.207 112 H CB -0.495 29.089 29.762 -0.297 0.000 1.355 112 H HN 0.183 nan 8.280 nan 0.000 0.486 113 F N 0.433 120.386 119.950 0.005 0.000 1.988 113 F HA -0.138 4.387 4.527 -0.004 0.000 0.296 113 F C 1.777 177.549 175.800 -0.047 0.000 1.178 113 F CA 1.802 59.771 58.000 -0.052 0.000 1.174 113 F CB -1.393 37.617 39.000 0.016 0.000 0.963 113 F HN 0.094 nan 8.300 nan 0.000 0.489 114 T N 3.765 118.474 114.554 0.258 0.000 2.642 114 T HA -0.036 4.311 4.350 -0.004 0.000 0.258 114 T C -1.212 173.530 174.700 0.069 0.000 1.022 114 T CA -0.957 61.224 62.100 0.135 0.000 1.266 114 T CB 0.192 69.137 68.868 0.128 0.000 0.987 114 T HN 0.021 nan 8.240 nan 0.000 0.518 115 P HA -0.074 nan 4.420 nan 0.000 0.217 115 P C 1.434 178.737 177.300 0.006 0.000 1.151 115 P CA 0.700 63.800 63.100 0.000 0.000 0.828 115 P CB 0.313 32.010 31.700 -0.006 0.000 0.788 116 R N -0.131 120.374 120.500 0.009 0.000 1.966 116 R HA 0.196 4.533 4.340 -0.004 0.000 0.170 116 R C 0.952 177.248 176.300 -0.007 0.000 1.036 116 R CA -0.299 55.803 56.100 0.002 0.000 1.316 116 R CB -1.476 28.825 30.300 0.002 0.000 0.696 116 R HN 0.151 nan 8.270 nan 0.000 0.572 117 L N 1.100 122.311 121.223 -0.020 0.000 2.883 117 L HA -0.228 4.109 4.340 -0.004 0.000 0.559 117 L C 0.694 177.540 176.870 -0.040 0.000 1.001 117 L CA 0.440 55.246 54.840 -0.055 0.000 1.291 117 L CB -0.167 41.824 42.059 -0.113 0.000 1.557 117 L HN 0.759 nan 8.230 nan 0.000 0.761 118 S N 2.521 118.200 115.700 -0.034 0.000 2.564 118 S HA 0.308 4.775 4.470 -0.004 0.000 0.231 118 S C 0.544 175.138 174.600 -0.010 0.000 1.067 118 S CA -0.356 57.838 58.200 -0.010 0.000 0.908 118 S CB 0.567 63.764 63.200 -0.006 0.000 0.809 118 S HN 0.662 nan 8.310 nan 0.000 0.491 119 R N 0.541 121.018 120.500 -0.039 0.000 2.502 119 R HA 0.652 4.990 4.340 -0.004 0.000 0.300 119 R C -2.169 174.076 176.300 -0.091 0.000 0.984 119 R CA -0.563 55.513 56.100 -0.039 0.000 0.882 119 R CB 2.025 32.306 30.300 -0.031 0.000 1.180 119 R HN 0.273 nan 8.270 nan 0.000 0.444 120 L N 2.959 124.129 121.223 -0.087 0.000 2.404 120 L HA 0.458 4.796 4.340 -0.004 0.000 0.272 120 L C -1.354 175.485 176.870 -0.052 0.000 0.980 120 L CA -0.396 54.361 54.840 -0.138 0.000 0.836 120 L CB 1.682 43.585 42.059 -0.260 0.000 1.238 120 L HN 0.514 nan 8.230 nan 0.000 0.408 121 N N 5.661 124.337 118.700 -0.040 0.000 2.511 121 N HA 0.356 5.094 4.740 -0.004 0.000 0.249 121 N C -0.385 175.151 175.510 0.044 0.000 0.971 121 N CA -0.276 52.780 53.050 0.009 0.000 0.938 121 N CB 1.155 39.639 38.487 -0.005 0.000 1.131 121 N HN 0.830 nan 8.380 nan 0.000 0.505 122 L N 1.744 123.012 121.223 0.075 0.000 2.857 122 L HA 0.164 4.502 4.340 -0.004 0.000 0.249 122 L C 1.208 178.146 176.870 0.113 0.000 1.172 122 L CA -0.275 54.626 54.840 0.101 0.000 0.980 122 L CB -0.129 42.000 42.059 0.116 0.000 1.299 122 L HN 0.439 nan 8.230 nan 0.000 0.535 123 S N -0.459 115.327 115.700 0.144 0.000 2.622 123 S HA -0.031 4.437 4.470 -0.004 0.000 0.251 123 S C 0.411 175.203 174.600 0.320 0.000 1.402 123 S CA -0.428 57.901 58.200 0.215 0.000 0.972 123 S CB -0.255 63.172 63.200 0.378 0.000 0.913 123 S HN 0.192 nan 8.310 nan 0.000 0.573 124 F N 0.616 120.569 119.950 0.005 0.000 2.494 124 F HA -0.147 4.377 4.527 -0.005 0.000 0.177 124 F C 0.809 176.612 175.800 0.005 0.000 1.046 124 F CA 1.000 59.002 58.000 0.004 0.000 0.829 124 F CB -1.952 37.053 39.000 0.008 0.000 0.706 124 F HN 0.736 nan 8.300 nan 0.000 0.834 125 N N 0.431 119.194 118.700 0.104 0.000 3.567 125 N HA 0.802 5.539 4.740 -0.004 0.000 0.347 125 N C 0.747 176.267 175.510 0.018 0.000 1.553 125 N CA 0.253 53.345 53.050 0.071 0.000 0.636 125 N CB 1.051 39.576 38.487 0.064 0.000 2.483 125 N HN 0.057 nan 8.380 nan 0.000 0.608 126 A N -0.045 122.774 122.820 -0.001 0.000 2.548 126 A HA 0.286 4.604 4.320 -0.004 0.000 0.236 126 A C -0.104 177.438 177.584 -0.070 0.000 1.246 126 A CA -0.212 51.804 52.037 -0.035 0.000 0.993 126 A CB -0.076 18.917 19.000 -0.011 0.000 1.209 126 A HN 0.360 nan 8.150 nan 0.000 0.570 127 L N 1.483 122.675 121.223 -0.053 0.000 2.780 127 L HA 0.030 4.367 4.340 -0.004 0.000 0.275 127 L C 1.251 178.043 176.870 -0.129 0.000 1.153 127 L CA 0.806 55.593 54.840 -0.088 0.000 0.993 127 L CB 0.154 42.195 42.059 -0.030 0.000 1.319 127 L HN 0.474 nan 8.230 nan 0.000 0.479 128 E N 2.494 122.562 120.200 -0.221 0.000 2.072 128 E HA -0.032 4.315 4.350 -0.004 0.000 0.191 128 E C 0.229 176.767 176.600 -0.104 0.000 0.985 128 E CA 1.225 57.514 56.400 -0.184 0.000 0.801 128 E CB 0.242 29.778 29.700 -0.272 0.000 0.750 128 E HN 0.645 nan 8.360 nan 0.000 0.452 129 S N -1.476 114.140 115.700 -0.140 0.000 2.550 129 S HA 0.500 4.968 4.470 -0.004 0.000 0.270 129 S C -2.167 172.432 174.600 -0.002 0.000 1.145 129 S CA -0.901 57.279 58.200 -0.033 0.000 0.852 129 S CB 0.805 64.000 63.200 -0.008 0.000 1.119 129 S HN 0.100 nan 8.310 nan 0.000 0.465 130 L N 3.714 125.007 121.223 0.116 0.000 2.295 130 L HA 0.601 4.939 4.340 -0.004 0.000 0.281 130 L C -0.016 176.974 176.870 0.200 0.000 1.018 130 L CA 0.140 55.078 54.840 0.162 0.000 0.841 130 L CB 1.137 43.346 42.059 0.250 0.000 1.218 130 L HN 0.701 nan 8.230 nan 0.000 0.424 131 S N 3.652 119.383 115.700 0.052 0.000 2.561 131 S HA -0.112 4.356 4.470 -0.004 0.000 0.294 131 S C 0.675 175.120 174.600 -0.259 0.000 1.294 131 S CA 0.304 58.492 58.200 -0.020 0.000 1.055 131 S CB 0.164 63.335 63.200 -0.047 0.000 0.819 131 S HN 0.847 nan 8.310 nan 0.000 0.503 132 W N 4.390 125.375 121.300 -0.525 0.000 2.304 132 W HA -0.248 4.409 4.660 -0.005 0.000 0.328 132 W C 2.126 178.224 176.519 -0.702 0.000 1.242 132 W CA 1.711 58.462 57.345 -0.989 0.000 1.243 132 W CB -0.768 28.332 29.460 -0.601 0.000 1.170 132 W HN 0.667 nan 8.180 nan 0.000 0.460 133 K N 0.414 120.178 120.400 -1.060 0.000 2.334 133 K HA -0.246 4.071 4.320 -0.004 0.000 0.204 133 K C 1.782 177.905 176.600 -0.795 0.000 1.043 133 K CA 2.457 57.982 56.287 -1.269 0.000 0.933 133 K CB -0.894 31.220 32.500 -0.645 0.000 0.734 133 K HN 0.351 nan 8.250 nan 0.000 0.479 134 T N -0.436 113.764 114.554 -0.591 0.000 2.597 134 T HA -0.191 4.156 4.350 -0.004 0.000 0.267 134 T C 1.749 176.310 174.700 -0.232 0.000 1.053 134 T CA 2.006 63.914 62.100 -0.320 0.000 1.165 134 T CB -0.445 68.302 68.868 -0.201 0.000 0.863 134 T HN 0.055 nan 8.240 nan 0.000 0.427 135 V N 0.726 120.403 119.914 -0.394 0.000 2.358 135 V HA -0.067 4.051 4.120 -0.004 0.000 0.246 135 V C 1.333 177.311 176.094 -0.192 0.000 1.047 135 V CA 0.802 62.972 62.300 -0.216 0.000 1.035 135 V CB -0.712 30.982 31.823 -0.215 0.000 0.658 135 V HN 0.534 nan 8.190 nan 0.000 0.452 136 Q N 0.482 120.034 119.800 -0.413 0.000 2.413 136 Q HA -0.228 4.109 4.340 -0.004 0.000 0.364 136 Q C 0.864 176.807 176.000 -0.096 0.000 1.359 136 Q CA 0.956 56.557 55.803 -0.337 0.000 1.097 136 Q CB -1.582 26.963 28.738 -0.321 0.000 1.286 136 Q HN 1.063 nan 8.270 nan 0.000 0.358 137 G N 1.628 110.440 108.800 0.019 0.000 2.306 137 G HA2 -0.245 3.712 3.960 -0.004 0.000 0.274 137 G HA3 -0.245 3.712 3.960 -0.004 0.000 0.274 137 G C 0.640 175.573 174.900 0.054 0.000 0.890 137 G CA 0.478 45.632 45.100 0.088 0.000 1.298 137 G HN 0.576 nan 8.290 nan 0.000 0.445 138 L N 0.153 121.417 121.223 0.069 0.000 2.628 138 L HA 0.159 4.497 4.340 -0.004 0.000 0.229 138 L C 1.742 178.639 176.870 0.045 0.000 1.137 138 L CA 0.500 55.364 54.840 0.040 0.000 0.909 138 L CB 0.026 42.100 42.059 0.026 0.000 1.137 138 L HN 0.559 nan 8.230 nan 0.000 0.470 139 S N 0.090 115.828 115.700 0.064 0.000 3.261 139 S HA -0.187 4.281 4.470 -0.004 0.000 0.287 139 S C 0.424 175.054 174.600 0.049 0.000 1.281 139 S CA 0.283 58.505 58.200 0.038 0.000 1.053 139 S CB -1.557 61.652 63.200 0.015 0.000 1.251 139 S HN 0.337 nan 8.310 nan 0.000 0.659 140 L N 2.218 123.501 121.223 0.101 0.000 2.667 140 L HA -0.004 4.334 4.340 -0.004 0.000 0.278 140 L C 1.278 178.214 176.870 0.110 0.000 1.217 140 L CA 1.215 56.119 54.840 0.107 0.000 0.935 140 L CB 0.288 42.454 42.059 0.178 0.000 1.193 140 L HN 0.306 nan 8.230 nan 0.000 0.493 141 Q N 3.001 122.836 119.800 0.058 0.000 2.204 141 Q HA 0.136 4.474 4.340 -0.004 0.000 0.198 141 Q C -0.333 175.708 176.000 0.068 0.000 0.946 141 Q CA 0.882 56.707 55.803 0.037 0.000 0.859 141 Q CB 0.377 29.122 28.738 0.012 0.000 0.946 141 Q HN 0.708 nan 8.270 nan 0.000 0.474 142 E N 0.673 120.921 120.200 0.079 0.000 2.256 142 E HA 0.436 4.784 4.350 -0.004 0.000 0.268 142 E C -1.726 174.937 176.600 0.104 0.000 0.877 142 E CA -0.587 55.866 56.400 0.089 0.000 0.757 142 E CB 2.346 32.074 29.700 0.046 0.000 1.183 142 E HN -0.107 nan 8.360 nan 0.000 0.418 143 L N 3.298 124.606 121.223 0.141 0.000 2.406 143 L HA 0.342 4.679 4.340 -0.004 0.000 0.270 143 L C -1.614 175.300 176.870 0.073 0.000 0.982 143 L CA -0.753 54.153 54.840 0.111 0.000 0.843 143 L CB 1.696 43.854 42.059 0.165 0.000 1.225 143 L HN 0.321 nan 8.230 nan 0.000 0.412 144 V N 6.608 126.553 119.914 0.051 0.000 2.364 144 V HA 0.462 4.580 4.120 -0.004 0.000 0.272 144 V C -0.065 176.053 176.094 0.040 0.000 1.036 144 V CA -0.356 61.973 62.300 0.049 0.000 0.880 144 V CB 1.054 32.918 31.823 0.068 0.000 0.991 144 V HN 0.584 nan 8.190 nan 0.000 0.460 145 L N 5.926 127.153 121.223 0.007 0.000 2.377 145 L HA 0.800 5.137 4.340 -0.004 0.000 0.270 145 L C -0.144 176.692 176.870 -0.057 0.000 0.991 145 L CA 0.027 54.858 54.840 -0.015 0.000 0.851 145 L CB 1.664 43.698 42.059 -0.042 0.000 1.218 145 L HN 0.901 nan 8.230 nan 0.000 0.420 146 S N 0.277 115.929 115.700 -0.080 0.000 2.663 146 S HA 0.568 5.036 4.470 -0.004 0.000 0.264 146 S C 0.406 174.816 174.600 -0.316 0.000 1.112 146 S CA -0.139 57.957 58.200 -0.173 0.000 0.823 146 S CB 1.173 64.267 63.200 -0.177 0.000 1.111 146 S HN 1.058 nan 8.310 nan 0.000 0.476 147 G N 0.912 109.480 108.800 -0.387 0.000 2.225 147 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.272 147 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.272 147 G C -0.069 174.674 174.900 -0.261 0.000 0.996 147 G CA 0.656 45.472 45.100 -0.473 0.000 0.710 147 G HN 0.873 nan 8.290 nan 0.000 0.522 148 N N -0.143 118.448 118.700 -0.182 0.000 2.487 148 N HA 0.353 5.090 4.740 -0.004 0.000 0.292 148 N C -1.302 174.152 175.510 -0.093 0.000 1.108 148 N CA -1.547 51.435 53.050 -0.113 0.000 0.956 148 N CB 1.836 40.274 38.487 -0.081 0.000 1.176 148 N HN -0.149 nan 8.380 nan 0.000 0.484 149 P HA -0.084 nan 4.420 nan 0.000 0.216 149 P C 0.159 177.473 177.300 0.023 0.000 1.154 149 P CA 1.004 64.016 63.100 -0.146 0.000 0.865 149 P CB 0.228 31.701 31.700 -0.378 0.000 0.789 150 L N -2.150 119.055 121.223 -0.029 0.000 3.854 150 L HA -0.237 4.100 4.340 -0.004 0.000 0.460 150 L C 0.637 177.546 176.870 0.065 0.000 1.228 150 L CA -0.180 54.662 54.840 0.002 0.000 0.760 150 L CB -2.059 39.977 42.059 -0.039 0.000 1.597 150 L HN 0.406 nan 8.230 nan 0.000 0.852 151 H N 0.779 119.869 119.070 0.034 0.000 3.187 151 H HA 0.004 4.558 4.556 -0.004 0.000 0.286 151 H C 0.096 175.435 175.328 0.018 0.000 0.944 151 H CA 0.296 56.384 56.048 0.068 0.000 1.429 151 H CB 0.483 30.291 29.762 0.077 0.000 1.483 151 H HN 0.401 nan 8.280 nan 0.000 0.555 152 c N 6.047 124.554 118.600 -0.156 0.000 2.627 152 c HA 0.232 4.800 4.570 -0.004 0.000 0.404 152 c C 0.765 174.902 174.090 0.079 0.000 1.340 152 c CA -0.056 56.244 56.329 -0.049 0.000 1.758 152 c CB -1.194 41.251 42.510 -0.109 0.000 2.501 152 c HN 0.834 nan 8.230 nan 0.000 0.588 153 S N 2.169 117.953 115.700 0.141 0.000 2.810 153 S HA 0.369 4.837 4.470 -0.004 0.000 0.315 153 S C 0.683 175.334 174.600 0.085 0.000 1.138 153 S CA -0.643 57.650 58.200 0.155 0.000 0.889 153 S CB 0.526 63.824 63.200 0.163 0.000 1.236 153 S HN 0.661 nan 8.310 nan 0.000 0.548 154 c N 0.822 119.467 118.600 0.076 0.000 2.422 154 c HA 0.163 4.731 4.570 -0.004 0.000 0.279 154 c C 2.556 176.698 174.090 0.088 0.000 1.305 154 c CA 1.159 57.524 56.329 0.059 0.000 1.757 154 c CB -1.807 40.727 42.510 0.041 0.000 1.962 154 c HN 0.928 nan 8.230 nan 0.000 0.499 155 A N -0.775 122.112 122.820 0.112 0.000 2.236 155 A HA 0.278 4.596 4.320 -0.004 0.000 0.214 155 A C 1.234 178.984 177.584 0.276 0.000 1.287 155 A CA 0.807 52.951 52.037 0.177 0.000 0.909 155 A CB -0.443 18.641 19.000 0.140 0.000 0.839 155 A HN 0.705 nan 8.150 nan 0.000 0.486 156 L N -2.384 118.942 121.223 0.172 0.000 3.386 156 L HA 0.188 4.525 4.340 -0.004 0.000 0.307 156 L C 1.833 178.651 176.870 -0.087 0.000 1.235 156 L CA -0.203 54.642 54.840 0.009 0.000 1.056 156 L CB 0.239 42.252 42.059 -0.078 0.000 1.453 156 L HN 0.328 nan 8.230 nan 0.000 0.615 157 R N 1.703 122.233 120.500 0.051 0.000 2.159 157 R HA -0.195 4.143 4.340 -0.004 0.000 0.237 157 R C 2.116 178.451 176.300 0.058 0.000 1.131 157 R CA 2.142 58.262 56.100 0.033 0.000 0.982 157 R CB -0.316 30.015 30.300 0.052 0.000 0.868 157 R HN 0.628 nan 8.270 nan 0.000 0.453 158 W N -0.463 120.843 121.300 0.010 0.000 2.388 158 W HA -0.123 4.534 4.660 -0.004 0.000 0.294 158 W C 1.152 177.686 176.519 0.025 0.000 1.212 158 W CA 0.386 57.759 57.345 0.047 0.000 1.271 158 W CB -1.043 28.457 29.460 0.066 0.000 1.126 158 W HN 0.164 nan 8.180 nan 0.000 0.535 159 L N 1.792 122.335 121.223 -1.133 0.000 2.156 159 L HA -0.135 4.203 4.340 -0.004 0.000 0.208 159 L C 2.962 179.651 176.870 -0.301 0.000 1.095 159 L CA 2.308 56.559 54.840 -0.983 0.000 0.770 159 L CB -1.081 40.278 42.059 -1.167 0.000 0.914 159 L HN 0.020 nan 8.230 nan 0.000 0.439 160 Q N 0.056 119.729 119.800 -0.211 0.000 1.985 160 Q HA -0.252 4.086 4.340 -0.004 0.000 0.207 160 Q C 2.362 178.383 176.000 0.034 0.000 0.996 160 Q CA 2.213 57.978 55.803 -0.063 0.000 0.851 160 Q CB -0.221 28.497 28.738 -0.033 0.000 0.921 160 Q HN 0.404 nan 8.270 nan 0.000 0.418 161 R N -1.154 119.411 120.500 0.107 0.000 2.094 161 R HA -0.200 4.138 4.340 -0.004 0.000 0.239 161 R C 2.098 178.530 176.300 0.220 0.000 1.137 161 R CA 1.707 57.911 56.100 0.173 0.000 0.943 161 R CB -0.730 29.723 30.300 0.255 0.000 0.850 161 R HN 0.400 nan 8.270 nan 0.000 0.433 162 W N 1.248 122.540 121.300 -0.014 0.000 2.387 162 W HA -0.158 4.503 4.660 0.001 0.000 0.272 162 W C 2.162 178.660 176.519 -0.035 0.000 1.224 162 W CA 1.139 58.481 57.345 -0.006 0.000 1.210 162 W CB -0.334 29.109 29.460 -0.028 0.000 1.125 162 W HN 0.322 nan 8.180 nan 0.000 0.572 163 E N 0.110 120.396 120.200 0.143 0.000 2.060 163 E HA -0.156 4.191 4.350 -0.004 0.000 0.189 163 E C 1.765 178.387 176.600 0.036 0.000 0.974 163 E CA 1.226 57.662 56.400 0.060 0.000 0.808 163 E CB -0.031 29.679 29.700 0.016 0.000 0.768 163 E HN 0.250 nan 8.360 nan 0.000 0.453 164 E N 0.772 120.994 120.200 0.037 0.000 2.023 164 E HA -0.207 4.141 4.350 -0.004 0.000 0.196 164 E C 2.051 178.656 176.600 0.009 0.000 1.003 164 E CA 1.302 57.716 56.400 0.024 0.000 0.809 164 E CB -0.096 29.620 29.700 0.027 0.000 0.755 164 E HN 0.271 nan 8.360 nan 0.000 0.449 165 E N -0.180 120.024 120.200 0.006 0.000 2.331 165 E HA -0.112 4.236 4.350 -0.004 0.000 0.199 165 E C 1.024 177.593 176.600 -0.051 0.000 1.008 165 E CA 0.838 57.220 56.400 -0.030 0.000 0.843 165 E CB -0.158 29.507 29.700 -0.059 0.000 0.761 165 E HN 0.439 nan 8.360 nan 0.000 0.507 166 G N 1.458 110.238 108.800 -0.033 0.000 2.314 166 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.292 166 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.292 166 G C 0.582 175.438 174.900 -0.075 0.000 1.059 166 G CA 0.560 45.641 45.100 -0.033 0.000 0.982 166 G HN 0.235 nan 8.290 nan 0.000 0.505 167 L N -0.501 120.640 121.223 -0.136 0.000 2.208 167 L HA 0.293 4.631 4.340 -0.004 0.000 0.196 167 L C 2.659 179.400 176.870 -0.214 0.000 1.130 167 L CA 1.123 55.799 54.840 -0.274 0.000 0.791 167 L CB -0.481 41.213 42.059 -0.608 0.000 0.969 167 L HN 0.324 nan 8.230 nan 0.000 0.468 168 G N -0.727 107.978 108.800 -0.159 0.000 3.279 168 G HA2 0.281 4.238 3.960 -0.004 0.000 0.230 168 G HA3 0.281 4.238 3.960 -0.004 0.000 0.230 168 G C 0.960 175.936 174.900 0.127 0.000 1.230 168 G CA 0.330 45.476 45.100 0.077 0.000 0.891 168 G HN 0.592 nan 8.290 nan 0.000 0.518 169 G N -0.762 108.071 108.800 0.055 0.000 2.314 169 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.292 169 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.292 169 G C 0.873 175.818 174.900 0.075 0.000 1.059 169 G CA 0.248 45.378 45.100 0.050 0.000 0.982 169 G HN 0.437 nan 8.290 nan 0.000 0.505 170 V N -0.015 119.955 119.914 0.093 0.000 2.446 170 V HA -0.030 4.088 4.120 -0.004 0.000 0.244 170 V C 0.915 177.027 176.094 0.030 0.000 1.039 170 V CA 2.060 64.406 62.300 0.077 0.000 1.045 170 V CB -0.763 31.130 31.823 0.117 0.000 0.681 170 V HN 0.387 nan 8.190 nan 0.000 0.459 171 P HA -0.268 nan 4.420 nan 0.000 0.210 171 P C 1.637 178.936 177.300 -0.002 0.000 1.151 171 P CA 2.107 65.211 63.100 0.007 0.000 0.949 171 P CB -0.263 31.441 31.700 0.006 0.000 0.786 172 E N 0.288 120.490 120.200 0.003 0.000 2.284 172 E HA -0.279 4.069 4.350 -0.004 0.000 0.200 172 E C 1.756 178.353 176.600 -0.005 0.000 1.008 172 E CA 1.527 57.928 56.400 0.000 0.000 0.829 172 E CB -1.240 28.465 29.700 0.008 0.000 0.744 172 E HN 0.481 nan 8.360 nan 0.000 0.491 173 Q N 0.414 120.210 119.800 -0.006 0.000 2.291 173 Q HA -0.040 4.298 4.340 -0.004 0.000 0.205 173 Q C 0.181 176.159 176.000 -0.038 0.000 0.970 173 Q CA 0.661 56.455 55.803 -0.015 0.000 0.876 173 Q CB -0.032 28.698 28.738 -0.013 0.000 0.935 173 Q HN 0.046 nan 8.270 nan 0.000 0.455 174 K N 0.356 120.728 120.400 -0.047 0.000 3.162 174 K HA -0.156 4.161 4.320 -0.004 0.000 0.268 174 K C -0.958 175.589 176.600 -0.089 0.000 1.062 174 K CA 0.244 56.489 56.287 -0.070 0.000 0.769 174 K CB -1.715 30.749 32.500 -0.061 0.000 1.274 174 K HN 0.207 nan 8.250 nan 0.000 0.478 175 L N 0.699 121.868 121.223 -0.091 0.000 2.483 175 L HA 0.066 4.404 4.340 -0.004 0.000 0.276 175 L C 0.966 177.768 176.870 -0.114 0.000 1.213 175 L CA 0.581 55.359 54.840 -0.103 0.000 0.843 175 L CB 0.489 42.484 42.059 -0.107 0.000 1.107 175 L HN 0.315 nan 8.230 nan 0.000 0.487 176 Q N 0.993 120.729 119.800 -0.107 0.000 2.456 176 Q HA 0.375 4.713 4.340 -0.004 0.000 0.283 176 Q C -1.310 174.639 176.000 -0.086 0.000 1.084 176 Q CA -0.874 54.866 55.803 -0.104 0.000 0.801 176 Q CB 2.493 31.171 28.738 -0.100 0.000 1.434 176 Q HN 0.605 nan 8.270 nan 0.000 0.419 177 c N 1.340 119.888 118.600 -0.088 0.000 2.605 177 c HA 0.227 4.795 4.570 -0.004 0.000 0.404 177 c C 0.651 174.710 174.090 -0.053 0.000 1.284 177 c CA -0.258 56.019 56.329 -0.087 0.000 2.199 177 c CB -0.814 41.616 42.510 -0.133 0.000 2.647 177 c HN 0.791 nan 8.230 nan 0.000 0.604 178 H N 0.238 119.236 119.070 -0.120 0.000 2.581 178 H HA 0.482 5.035 4.556 -0.004 0.000 0.369 178 H C 1.296 176.567 175.328 -0.094 0.000 1.351 178 H CA 1.435 57.434 56.048 -0.080 0.000 1.434 178 H CB 0.273 30.021 29.762 -0.024 0.000 1.558 178 H HN 0.916 nan 8.280 nan 0.000 0.608 179 G N 0.459 108.496 108.800 -1.270 0.000 3.246 179 G HA2 -0.386 3.572 3.960 -0.004 0.000 0.227 179 G HA3 -0.386 3.572 3.960 -0.004 0.000 0.227 179 G C -0.101 174.586 174.900 -0.356 0.000 1.291 179 G CA 0.804 45.420 45.100 -0.807 0.000 0.900 179 G HN 0.966 nan 8.290 nan 0.000 0.538 180 Q N -1.523 118.109 119.800 -0.280 0.000 2.418 180 Q HA 0.164 4.501 4.340 -0.004 0.000 0.226 180 Q C 0.048 175.967 176.000 -0.135 0.000 1.137 180 Q CA 0.770 56.472 55.803 -0.169 0.000 0.438 180 Q CB -1.341 27.325 28.738 -0.121 0.000 0.561 180 Q HN 1.899 nan 8.270 nan 0.000 0.320 181 G N 3.323 112.049 108.800 -0.122 0.000 4.988 181 G HA2 0.446 4.403 3.960 -0.004 0.000 0.227 181 G HA3 0.446 4.403 3.960 -0.004 0.000 0.227 181 G C -1.733 173.124 174.900 -0.072 0.000 0.955 181 G CA -0.279 44.770 45.100 -0.086 0.000 0.784 181 G HN 0.452 nan 8.290 nan 0.000 0.537 182 P HA -0.263 nan 4.420 nan 0.000 0.232 182 P C 0.746 177.987 177.300 -0.098 0.000 0.897 182 P CA 2.710 65.764 63.100 -0.077 0.000 1.086 182 P CB -0.033 31.632 31.700 -0.059 0.000 0.629 183 L N -8.773 112.391 121.223 -0.098 0.000 2.741 183 L HA 0.667 5.004 4.340 -0.004 0.000 0.285 183 L C -0.801 176.002 176.870 -0.112 0.000 0.846 183 L CA -0.522 54.236 54.840 -0.136 0.000 1.101 183 L CB 0.250 42.182 42.059 -0.212 0.000 1.649 183 L HN -0.286 nan 8.230 nan 0.000 0.341 184 A N -0.084 122.646 122.820 -0.150 0.000 2.849 184 A HA 0.312 4.629 4.320 -0.004 0.000 0.246 184 A C 0.018 177.595 177.584 -0.011 0.000 1.820 184 A CA 0.546 52.529 52.037 -0.091 0.000 1.512 184 A CB -2.010 16.930 19.000 -0.099 0.000 0.884 184 A HN 0.744 nan 8.150 nan 0.000 0.626 185 H N -1.572 117.473 119.070 -0.042 0.000 3.199 185 H HA 0.799 5.352 4.556 -0.005 0.000 0.292 185 H C -0.594 174.711 175.328 -0.039 0.000 1.600 185 H CA -1.162 54.865 56.048 -0.034 0.000 1.235 185 H CB 1.467 31.208 29.762 -0.034 0.000 1.839 185 H HN 0.407 nan 8.280 nan 0.000 0.623 186 M N 0.866 120.529 119.600 0.104 0.000 2.876 186 M HA -0.028 4.449 4.480 -0.004 0.000 0.154 186 M C -3.026 173.280 176.300 0.010 0.000 0.591 186 M CA -0.892 54.429 55.300 0.034 0.000 0.981 186 M CB 0.481 33.089 32.600 0.014 0.000 1.364 186 M HN 0.311 nan 8.290 nan 0.000 0.616 187 P HA 0.157 nan 4.420 nan 0.000 0.264 187 P C -0.689 176.610 177.300 -0.001 0.000 1.183 187 P CA 0.500 63.597 63.100 -0.005 0.000 0.763 187 P CB 0.447 32.145 31.700 -0.003 0.000 0.807 188 N N 1.742 120.439 118.700 -0.004 0.000 2.591 188 N HA 0.060 4.797 4.740 -0.004 0.000 0.200 188 N C 1.583 177.092 175.510 -0.002 0.000 1.040 188 N CA 0.506 53.556 53.050 -0.001 0.000 0.911 188 N CB -0.201 38.284 38.487 -0.003 0.000 1.259 188 N HN 0.334 nan 8.380 nan 0.000 0.438 189 A N -0.524 122.293 122.820 -0.005 0.000 2.172 189 A HA 0.012 4.330 4.320 -0.004 0.000 0.216 189 A C 1.836 179.417 177.584 -0.004 0.000 1.154 189 A CA 1.153 53.187 52.037 -0.006 0.000 0.701 189 A CB -0.549 18.446 19.000 -0.007 0.000 0.789 189 A HN 0.286 nan 8.150 nan 0.000 0.465 190 S N -1.497 114.202 115.700 -0.002 0.000 2.631 190 S HA 0.159 4.627 4.470 -0.004 0.000 0.217 190 S C -0.057 174.544 174.600 0.002 0.000 0.958 190 S CA -0.108 58.092 58.200 0.000 0.000 0.920 190 S CB -0.720 62.482 63.200 0.003 0.000 0.776 190 S HN 0.525 nan 8.310 nan 0.000 0.517 191 c N 0.740 119.340 118.600 0.000 0.000 2.431 191 c HA 0.864 5.432 4.570 -0.004 0.000 0.321 191 c C 0.528 174.612 174.090 -0.010 0.000 1.202 191 c CA -0.957 55.372 56.329 -0.001 0.000 1.398 191 c CB 0.632 43.147 42.510 0.009 0.000 2.047 191 c HN 0.527 nan 8.230 nan 0.000 0.465 192 G N 1.521 110.308 108.800 -0.021 0.000 2.692 192 G HA2 0.703 4.660 3.960 -0.004 0.000 0.291 192 G HA3 0.703 4.660 3.960 -0.004 0.000 0.291 192 G C -0.933 173.932 174.900 -0.058 0.000 1.423 192 G CA -0.471 44.608 45.100 -0.033 0.000 0.843 192 G HN 0.722 nan 8.290 nan 0.000 0.486 193 V N 0.592 120.462 119.914 -0.072 0.000 3.133 193 V HA 0.467 4.584 4.120 -0.004 0.000 0.305 193 V C -1.464 174.583 176.094 -0.079 0.000 1.084 193 V CA -1.294 60.943 62.300 -0.104 0.000 1.089 193 V CB 0.870 32.623 31.823 -0.116 0.000 1.073 193 V HN 0.719 nan 8.190 nan 0.000 0.477 194 P HA 0.203 nan 4.420 nan 0.000 0.274 194 P C -0.304 176.965 177.300 -0.053 0.000 1.231 194 P CA -0.094 62.969 63.100 -0.061 0.000 0.790 194 P CB 0.526 32.188 31.700 -0.063 0.000 0.951 195 T N 2.244 116.774 114.554 -0.039 0.000 2.913 195 T HA 0.522 4.870 4.350 -0.004 0.000 0.287 195 T C 0.089 174.769 174.700 -0.034 0.000 1.008 195 T CA -0.197 61.884 62.100 -0.032 0.000 1.067 195 T CB 0.231 69.085 68.868 -0.023 0.000 0.996 195 T HN 0.278 nan 8.240 nan 0.000 0.513 196 L N 2.308 123.513 121.223 -0.029 0.000 2.562 196 L HA 0.469 4.807 4.340 -0.004 0.000 0.266 196 L C -0.708 176.151 176.870 -0.018 0.000 0.949 196 L CA -0.767 54.054 54.840 -0.032 0.000 0.879 196 L CB 1.930 43.962 42.059 -0.044 0.000 1.278 196 L HN 0.492 nan 8.230 nan 0.000 0.404 197 K N 2.947 123.339 120.400 -0.013 0.000 2.422 197 K HA 0.795 5.112 4.320 -0.004 0.000 0.251 197 K C -1.432 175.177 176.600 0.015 0.000 0.933 197 K CA -0.842 55.448 56.287 0.005 0.000 0.798 197 K CB 3.366 35.871 32.500 0.010 0.000 1.238 197 K HN 0.150 nan 8.250 nan 0.000 0.428 198 V N 2.812 122.750 119.914 0.040 0.000 2.483 198 V HA 0.192 4.310 4.120 -0.004 0.000 0.297 198 V C -0.807 175.343 176.094 0.092 0.000 1.027 198 V CA -0.994 61.355 62.300 0.083 0.000 0.855 198 V CB 1.681 33.576 31.823 0.120 0.000 0.995 198 V HN 0.636 nan 8.190 nan 0.000 0.424 199 Q N 3.838 123.696 119.800 0.097 0.000 2.349 199 Q HA 0.358 4.696 4.340 -0.004 0.000 0.254 199 Q C -0.012 176.034 176.000 0.077 0.000 0.980 199 Q CA -0.203 55.644 55.803 0.073 0.000 0.924 199 Q CB 1.686 30.460 28.738 0.060 0.000 1.209 199 Q HN 0.790 nan 8.270 nan 0.000 0.445 200 V N 1.231 121.183 119.914 0.064 0.000 3.185 200 V HA 0.427 4.545 4.120 -0.004 0.000 0.305 200 V C -1.899 174.217 176.094 0.038 0.000 1.090 200 V CA -1.672 60.660 62.300 0.053 0.000 1.107 200 V CB -0.108 31.743 31.823 0.047 0.000 1.061 200 V HN 0.564 nan 8.190 nan 0.000 0.480 201 P HA 0.131 nan 4.420 nan 0.000 0.265 201 P C 0.171 177.484 177.300 0.021 0.000 1.193 201 P CA 0.024 63.138 63.100 0.023 0.000 0.765 201 P CB 0.500 32.210 31.700 0.018 0.000 0.823 202 N N 1.433 120.144 118.700 0.018 0.000 2.106 202 N HA -0.076 4.662 4.740 -0.004 0.000 0.188 202 N C 1.004 176.521 175.510 0.012 0.000 1.029 202 N CA 0.736 53.796 53.050 0.015 0.000 0.848 202 N CB -0.533 37.961 38.487 0.013 0.000 1.007 202 N HN 0.538 nan 8.380 nan 0.000 0.423 203 A N 1.529 124.355 122.820 0.010 0.000 2.425 203 A HA 0.303 4.620 4.320 -0.004 0.000 0.242 203 A C 0.981 178.571 177.584 0.011 0.000 1.077 203 A CA -0.285 51.756 52.037 0.007 0.000 0.781 203 A CB 0.134 19.137 19.000 0.006 0.000 1.020 203 A HN 0.383 nan 8.150 nan 0.000 0.494 204 S N 0.439 116.143 115.700 0.007 0.000 2.687 204 S HA 0.334 4.802 4.470 -0.004 0.000 0.248 204 S C 0.156 174.770 174.600 0.023 0.000 1.390 204 S CA 0.221 58.428 58.200 0.012 0.000 0.963 204 S CB 0.079 63.280 63.200 0.001 0.000 0.957 204 S HN 1.145 nan 8.310 nan 0.000 0.584 205 V N 0.836 120.774 119.914 0.039 0.000 2.962 205 V HA 0.579 4.696 4.120 -0.004 0.000 0.313 205 V C -0.976 175.170 176.094 0.087 0.000 1.099 205 V CA -0.880 61.451 62.300 0.053 0.000 0.971 205 V CB 2.184 34.038 31.823 0.051 0.000 1.028 205 V HN 0.998 nan 8.190 nan 0.000 0.430 206 D N 0.623 121.079 120.400 0.095 0.000 2.490 206 D HA 0.399 5.037 4.640 -0.004 0.000 0.232 206 D C -0.522 175.842 176.300 0.107 0.000 1.053 206 D CA -0.447 53.638 54.000 0.142 0.000 0.914 206 D CB 2.847 43.743 40.800 0.160 0.000 1.431 206 D HN 0.359 nan 8.370 nan 0.000 0.483 207 V N 0.756 120.741 119.914 0.118 0.000 2.928 207 V HA 0.259 4.377 4.120 -0.004 0.000 0.307 207 V C 1.219 177.340 176.094 0.045 0.000 1.105 207 V CA 1.530 63.871 62.300 0.068 0.000 1.223 207 V CB 0.270 32.121 31.823 0.046 0.000 0.930 207 V HN 0.892 nan 8.190 nan 0.000 0.499 208 G N 4.354 113.167 108.800 0.021 0.000 2.338 208 G HA2 -0.184 3.774 3.960 -0.004 0.000 0.296 208 G HA3 -0.184 3.774 3.960 -0.004 0.000 0.296 208 G C -0.295 174.614 174.900 0.016 0.000 1.040 208 G CA 0.518 45.625 45.100 0.012 0.000 1.004 208 G HN 0.933 nan 8.290 nan 0.000 0.509 209 D N -0.398 120.012 120.400 0.017 0.000 2.525 209 D HA 0.543 5.181 4.640 -0.004 0.000 0.249 209 D C -0.327 175.973 176.300 0.001 0.000 1.072 209 D CA -0.626 53.382 54.000 0.013 0.000 1.067 209 D CB 0.875 41.688 40.800 0.023 0.000 1.282 209 D HN 0.082 nan 8.370 nan 0.000 0.587 210 D N 0.300 120.698 120.400 -0.003 0.000 2.303 210 D HA 0.310 4.948 4.640 -0.004 0.000 0.236 210 D C -0.680 175.611 176.300 -0.014 0.000 1.068 210 D CA -0.297 53.694 54.000 -0.014 0.000 0.830 210 D CB 1.887 42.678 40.800 -0.016 0.000 1.109 210 D HN -0.102 nan 8.370 nan 0.000 0.496 211 V N 4.070 123.970 119.914 -0.024 0.000 2.334 211 V HA 0.331 4.449 4.120 -0.004 0.000 0.281 211 V C 0.294 176.359 176.094 -0.049 0.000 1.016 211 V CA -0.766 61.519 62.300 -0.025 0.000 0.832 211 V CB 1.016 32.827 31.823 -0.020 0.000 0.999 211 V HN 0.338 nan 8.190 nan 0.000 0.439 212 L N 5.602 126.802 121.223 -0.038 0.000 2.334 212 L HA 1.017 5.355 4.340 -0.004 0.000 0.273 212 L C -0.803 176.050 176.870 -0.028 0.000 1.013 212 L CA -0.783 54.027 54.840 -0.051 0.000 0.816 212 L CB 1.954 43.993 42.059 -0.033 0.000 1.278 212 L HN 0.625 nan 8.230 nan 0.000 0.431 213 L N -0.057 121.145 121.223 -0.035 0.000 2.653 213 L HA 0.683 5.021 4.340 -0.004 0.000 0.257 213 L C -1.399 175.552 176.870 0.135 0.000 0.969 213 L CA -0.947 53.918 54.840 0.042 0.000 0.869 213 L CB 2.264 44.356 42.059 0.057 0.000 1.439 213 L HN 0.763 nan 8.230 nan 0.000 0.414 214 R N 0.550 121.179 120.500 0.215 0.000 2.803 214 R HA 0.702 5.040 4.340 -0.004 0.000 0.276 214 R C -1.431 175.044 176.300 0.291 0.000 0.978 214 R CA -0.698 55.577 56.100 0.293 0.000 0.939 214 R CB 2.262 32.658 30.300 0.159 0.000 1.179 214 R HN 0.809 nan 8.270 nan 0.000 0.472 215 c N 2.756 121.480 118.600 0.206 0.000 2.335 215 c HA 0.340 4.908 4.570 -0.004 0.000 0.318 215 c C -0.576 173.476 174.090 -0.063 0.000 1.150 215 c CA -0.453 55.839 56.329 -0.063 0.000 1.466 215 c CB 0.300 42.450 42.510 -0.599 0.000 2.024 215 c HN 0.737 nan 8.230 nan 0.000 0.429 216 Q N 4.284 124.068 119.800 -0.026 0.000 2.349 216 Q HA 0.456 4.794 4.340 -0.004 0.000 0.254 216 Q C -0.618 175.360 176.000 -0.038 0.000 0.980 216 Q CA -0.267 55.525 55.803 -0.019 0.000 0.924 216 Q CB 1.751 30.491 28.738 0.003 0.000 1.209 216 Q HN 0.680 nan 8.270 nan 0.000 0.445 217 V N 3.460 123.348 119.914 -0.042 0.000 2.350 217 V HA 0.202 4.319 4.120 -0.004 0.000 0.276 217 V C -0.087 175.991 176.094 -0.026 0.000 1.028 217 V CA -0.467 61.808 62.300 -0.042 0.000 0.860 217 V CB 1.095 32.890 31.823 -0.047 0.000 0.990 217 V HN 0.726 nan 8.190 nan 0.000 0.453 218 E N 3.826 124.012 120.200 -0.024 0.000 2.149 218 E HA 0.653 5.001 4.350 -0.004 0.000 0.255 218 E C 0.267 176.855 176.600 -0.020 0.000 0.888 218 E CA -0.182 56.207 56.400 -0.018 0.000 0.742 218 E CB 2.052 31.744 29.700 -0.013 0.000 1.164 218 E HN 0.883 nan 8.360 nan 0.000 0.422 219 G N 1.288 110.077 108.800 -0.019 0.000 2.664 219 G HA2 0.260 4.218 3.960 -0.004 0.000 0.303 219 G HA3 0.260 4.218 3.960 -0.004 0.000 0.303 219 G C -0.049 174.842 174.900 -0.015 0.000 1.243 219 G CA -0.488 44.599 45.100 -0.021 0.000 0.826 219 G HN 0.333 nan 8.290 nan 0.000 0.498 220 R N -0.992 119.499 120.500 -0.015 0.000 2.507 220 R HA 0.192 4.530 4.340 -0.004 0.000 0.230 220 R C 2.240 178.536 176.300 -0.006 0.000 0.897 220 R CA 0.596 56.691 56.100 -0.008 0.000 1.006 220 R CB 0.891 31.188 30.300 -0.005 0.000 1.341 220 R HN 0.545 nan 8.270 nan 0.000 0.604 221 G N 1.797 110.589 108.800 -0.014 0.000 2.414 221 G HA2 -0.077 3.881 3.960 -0.004 0.000 0.215 221 G HA3 -0.077 3.881 3.960 -0.004 0.000 0.215 221 G C 0.475 175.373 174.900 -0.003 0.000 1.188 221 G CA 0.291 45.385 45.100 -0.011 0.000 0.783 221 G HN 0.191 nan 8.290 nan 0.000 0.537 222 L N 0.122 121.340 121.223 -0.008 0.000 3.177 222 L HA -0.155 4.182 4.340 -0.004 0.000 0.640 222 L C 0.457 177.337 176.870 0.017 0.000 1.018 222 L CA -0.101 54.741 54.840 0.003 0.000 1.288 222 L CB -0.718 41.344 42.059 0.005 0.000 1.594 222 L HN 0.310 nan 8.230 nan 0.000 0.796 223 E N 1.150 121.366 120.200 0.028 0.000 3.190 223 E HA 0.335 4.683 4.350 -0.004 0.000 0.249 223 E C 0.058 176.701 176.600 0.071 0.000 1.067 223 E CA 0.032 56.462 56.400 0.049 0.000 0.919 223 E CB 0.235 29.972 29.700 0.061 0.000 3.128 223 E HN 0.624 nan 8.360 nan 0.000 0.585 224 Q N -0.052 119.816 119.800 0.115 0.000 2.241 224 Q HA 0.747 5.085 4.340 -0.004 0.000 0.262 224 Q C -0.902 175.235 176.000 0.228 0.000 1.014 224 Q CA -0.778 55.131 55.803 0.177 0.000 0.885 224 Q CB 2.311 31.213 28.738 0.273 0.000 1.311 224 Q HN 0.323 nan 8.270 nan 0.000 0.461 225 A N -0.085 122.866 122.820 0.219 0.000 2.610 225 A HA 0.918 5.236 4.320 -0.004 0.000 0.291 225 A C -1.172 176.384 177.584 -0.047 0.000 1.086 225 A CA -0.073 52.068 52.037 0.174 0.000 0.677 225 A CB 2.042 21.065 19.000 0.038 0.000 1.278 225 A HN 0.807 nan 8.150 nan 0.000 0.414 226 G N -0.975 107.691 108.800 -0.223 0.000 2.308 226 G HA2 0.432 4.389 3.960 -0.004 0.000 0.288 226 G HA3 0.432 4.389 3.960 -0.004 0.000 0.288 226 G C -1.146 173.416 174.900 -0.563 0.000 1.722 226 G CA -0.767 44.055 45.100 -0.464 0.000 0.924 226 G HN 0.999 nan 8.290 nan 0.000 0.732 227 W N 0.629 121.748 121.300 -0.301 0.000 2.093 227 W HA 0.684 5.342 4.660 -0.004 0.000 0.352 227 W C 0.868 177.270 176.519 -0.194 0.000 1.294 227 W CA -0.308 56.940 57.345 -0.161 0.000 1.290 227 W CB 0.662 30.071 29.460 -0.085 0.000 1.149 227 W HN 0.351 nan 8.180 nan 0.000 0.606 228 I N 2.690 123.402 120.570 0.238 0.000 2.439 228 I HA 0.162 4.330 4.170 -0.004 0.000 0.285 228 I C -1.121 175.098 176.117 0.171 0.000 1.021 228 I CA -1.046 60.360 61.300 0.177 0.000 1.091 228 I CB 0.882 39.029 38.000 0.245 0.000 1.242 228 I HN -0.072 nan 8.210 nan 0.000 0.439 229 L N 5.893 127.179 121.223 0.105 0.000 2.257 229 L HA 0.281 4.619 4.340 -0.004 0.000 0.290 229 L C 0.877 177.785 176.870 0.063 0.000 1.044 229 L CA -0.155 54.726 54.840 0.068 0.000 0.810 229 L CB 1.080 43.151 42.059 0.020 0.000 1.193 229 L HN 0.571 nan 8.230 nan 0.000 0.425 230 T N 0.364 114.957 114.554 0.065 0.000 3.945 230 T HA 0.264 4.612 4.350 -0.004 0.000 0.306 230 T C -0.059 174.663 174.700 0.036 0.000 1.475 230 T CA -0.704 61.429 62.100 0.055 0.000 1.177 230 T CB -0.574 68.330 68.868 0.060 0.000 1.272 230 T HN 0.511 nan 8.240 nan 0.000 0.930 231 E N 1.343 121.560 120.200 0.027 0.000 3.179 231 E HA -0.150 4.198 4.350 -0.004 0.000 0.148 231 E C -0.545 176.059 176.600 0.007 0.000 1.916 231 E CA 0.301 56.710 56.400 0.015 0.000 0.709 231 E CB -1.240 28.470 29.700 0.016 0.000 1.081 231 E HN 0.777 nan 8.360 nan 0.000 0.351 232 L N 2.408 123.630 121.223 -0.002 0.000 2.828 232 L HA 0.128 4.465 4.340 -0.004 0.000 0.233 232 L C 1.959 178.819 176.870 -0.017 0.000 1.250 232 L CA -0.312 54.521 54.840 -0.012 0.000 1.125 232 L CB 0.046 42.092 42.059 -0.023 0.000 1.432 232 L HN 0.352 nan 8.230 nan 0.000 0.444 233 E N -0.541 119.651 120.200 -0.013 0.000 2.338 233 E HA -0.212 4.136 4.350 -0.004 0.000 0.197 233 E C 0.506 177.094 176.600 -0.021 0.000 1.007 233 E CA 0.700 57.090 56.400 -0.016 0.000 0.849 233 E CB 0.177 29.870 29.700 -0.011 0.000 0.774 233 E HN 0.384 nan 8.360 nan 0.000 0.506 234 Q N 1.201 120.987 119.800 -0.023 0.000 2.788 234 Q HA 0.359 4.697 4.340 -0.004 0.000 0.285 234 Q C -1.525 174.457 176.000 -0.030 0.000 1.063 234 Q CA -0.319 55.467 55.803 -0.029 0.000 0.958 234 Q CB 1.179 29.897 28.738 -0.034 0.000 1.211 234 Q HN 0.175 nan 8.270 nan 0.000 0.478 235 S N -0.232 115.449 115.700 -0.031 0.000 2.758 235 S HA 0.564 5.032 4.470 -0.004 0.000 0.278 235 S C -1.952 172.625 174.600 -0.038 0.000 0.905 235 S CA -0.234 57.946 58.200 -0.034 0.000 0.960 235 S CB -0.320 62.859 63.200 -0.035 0.000 1.211 235 S HN 0.368 nan 8.310 nan 0.000 0.462 236 A N 3.100 125.895 122.820 -0.041 0.000 2.316 236 A HA 0.694 5.012 4.320 -0.004 0.000 0.324 236 A C 0.438 177.986 177.584 -0.060 0.000 1.375 236 A CA 0.101 52.111 52.037 -0.045 0.000 0.882 236 A CB 0.001 18.978 19.000 -0.038 0.000 1.152 236 A HN 1.427 nan 8.150 nan 0.000 0.512 237 T N -0.766 113.744 114.554 -0.072 0.000 2.904 237 T HA 0.582 4.929 4.350 -0.004 0.000 0.290 237 T C -0.280 174.358 174.700 -0.104 0.000 1.018 237 T CA -0.506 61.532 62.100 -0.104 0.000 1.075 237 T CB 1.233 70.030 68.868 -0.118 0.000 0.986 237 T HN 0.637 nan 8.240 nan 0.000 0.523 238 V N 4.408 124.241 119.914 -0.134 0.000 2.501 238 V HA 0.344 4.462 4.120 -0.004 0.000 0.277 238 V C 0.026 176.030 176.094 -0.149 0.000 1.004 238 V CA -0.752 61.479 62.300 -0.115 0.000 0.862 238 V CB 0.656 32.428 31.823 -0.086 0.000 1.035 238 V HN 1.127 nan 8.190 nan 0.000 0.448 239 M N 2.204 121.719 119.600 -0.141 0.000 2.653 239 M HA 0.705 5.182 4.480 -0.004 0.000 0.262 239 M C 0.518 176.786 176.300 -0.054 0.000 1.002 239 M CA -0.412 54.803 55.300 -0.142 0.000 1.084 239 M CB 0.965 33.462 32.600 -0.171 0.000 1.511 239 M HN 0.207 nan 8.290 nan 0.000 0.612 240 K N -1.457 118.941 120.400 -0.003 0.000 3.500 240 K HA -0.153 4.165 4.320 -0.004 0.000 0.313 240 K C 0.749 177.363 176.600 0.024 0.000 1.338 240 K CA 0.890 57.187 56.287 0.017 0.000 0.963 240 K CB -2.034 30.463 32.500 -0.005 0.000 1.267 240 K HN 0.728 nan 8.250 nan 0.000 0.448 241 S N 0.230 115.945 115.700 0.025 0.000 2.754 241 S HA 0.210 4.677 4.470 -0.004 0.000 0.223 241 S C 0.426 175.059 174.600 0.056 0.000 0.951 241 S CA 0.383 58.599 58.200 0.027 0.000 0.954 241 S CB 0.220 63.424 63.200 0.007 0.000 0.780 241 S HN 0.500 nan 8.310 nan 0.000 0.509 242 G N -1.619 107.227 108.800 0.077 0.000 2.690 242 G HA2 0.604 4.562 3.960 -0.004 0.000 0.291 242 G HA3 0.604 4.562 3.960 -0.004 0.000 0.291 242 G C 0.090 175.026 174.900 0.059 0.000 1.403 242 G CA -0.189 44.960 45.100 0.082 0.000 0.864 242 G HN 0.283 nan 8.290 nan 0.000 0.480 243 G N -1.208 107.618 108.800 0.045 0.000 2.968 243 G HA2 0.416 4.374 3.960 -0.004 0.000 0.206 243 G HA3 0.416 4.374 3.960 -0.004 0.000 0.206 243 G C 0.529 175.444 174.900 0.025 0.000 2.051 243 G CA 0.022 45.140 45.100 0.030 0.000 0.773 243 G HN 0.443 nan 8.290 nan 0.000 0.741 244 L N 1.211 122.445 121.223 0.019 0.000 2.526 244 L HA 0.199 4.537 4.340 -0.004 0.000 0.210 244 L C -0.073 176.800 176.870 0.006 0.000 1.048 244 L CA 0.620 55.467 54.840 0.012 0.000 0.852 244 L CB -1.283 40.784 42.059 0.012 0.000 1.128 244 L HN 0.264 nan 8.230 nan 0.000 0.482 245 P HA -0.027 nan 4.420 nan 0.000 0.221 245 P C 0.170 177.476 177.300 0.010 0.000 1.150 245 P CA 0.877 63.981 63.100 0.008 0.000 0.800 245 P CB 0.555 32.262 31.700 0.011 0.000 0.787 246 S N -0.903 114.810 115.700 0.022 0.000 2.556 246 S HA 0.561 5.029 4.470 -0.004 0.000 0.271 246 S C -1.195 173.446 174.600 0.068 0.000 1.135 246 S CA -0.530 57.694 58.200 0.039 0.000 0.858 246 S CB 1.607 64.840 63.200 0.054 0.000 1.114 246 S HN -0.149 nan 8.310 nan 0.000 0.468 247 L N 1.967 123.258 121.223 0.114 0.000 2.343 247 L HA 0.654 4.992 4.340 -0.004 0.000 0.278 247 L C 0.528 177.705 176.870 0.512 0.000 0.996 247 L CA -0.156 54.838 54.840 0.258 0.000 0.831 247 L CB 1.266 43.396 42.059 0.118 0.000 1.232 247 L HN 0.824 nan 8.230 nan 0.000 0.413 248 G N 4.018 113.015 108.800 0.327 0.000 2.332 248 G HA2 0.588 4.545 3.960 -0.004 0.000 0.310 248 G HA3 0.588 4.545 3.960 -0.004 0.000 0.310 248 G C -1.217 173.669 174.900 -0.022 0.000 1.123 248 G CA -0.277 44.929 45.100 0.177 0.000 0.873 248 G HN 0.424 nan 8.290 nan 0.000 0.460 249 L N 2.484 123.559 121.223 -0.247 0.000 2.439 249 L HA 0.705 5.042 4.340 -0.004 0.000 0.270 249 L C -0.934 175.719 176.870 -0.362 0.000 0.972 249 L CA -0.335 54.149 54.840 -0.593 0.000 0.836 249 L CB 1.850 42.980 42.059 -1.550 0.000 1.255 249 L HN 0.477 nan 8.230 nan 0.000 0.404 250 T N 6.062 120.459 114.554 -0.263 0.000 2.881 250 T HA 0.589 4.937 4.350 -0.004 0.000 0.290 250 T C -0.405 174.206 174.700 -0.148 0.000 1.000 250 T CA -0.392 61.608 62.100 -0.167 0.000 0.978 250 T CB 1.870 70.676 68.868 -0.103 0.000 0.997 250 T HN 0.447 nan 8.240 nan 0.000 0.443 251 L N 2.612 123.765 121.223 -0.117 0.000 2.287 251 L HA 0.828 5.166 4.340 -0.004 0.000 0.287 251 L C 0.191 177.026 176.870 -0.058 0.000 1.022 251 L CA -0.879 53.908 54.840 -0.089 0.000 0.814 251 L CB 1.281 43.292 42.059 -0.079 0.000 1.217 251 L HN 0.713 nan 8.230 nan 0.000 0.420 252 A N 2.589 125.379 122.820 -0.050 0.000 2.356 252 A HA 0.551 4.869 4.320 -0.004 0.000 0.323 252 A C -0.082 177.485 177.584 -0.028 0.000 1.119 252 A CA -0.694 51.322 52.037 -0.035 0.000 0.790 252 A CB 0.660 19.640 19.000 -0.035 0.000 1.273 252 A HN 0.913 nan 8.150 nan 0.000 0.452 253 N N -0.559 118.129 118.700 -0.019 0.000 2.614 253 N HA -0.126 4.611 4.740 -0.004 0.000 0.276 253 N C -0.693 174.807 175.510 -0.018 0.000 1.119 253 N CA 0.185 53.226 53.050 -0.016 0.000 0.742 253 N CB -0.842 37.634 38.487 -0.018 0.000 0.900 253 N HN 0.411 nan 8.380 nan 0.000 0.549 254 V N 1.288 121.195 119.914 -0.012 0.000 2.432 254 V HA 0.261 4.379 4.120 -0.004 0.000 0.275 254 V C 1.128 177.215 176.094 -0.012 0.000 1.043 254 V CA -0.299 61.993 62.300 -0.012 0.000 0.925 254 V CB 1.435 33.257 31.823 -0.002 0.000 0.985 254 V HN 0.453 nan 8.190 nan 0.000 0.466 255 T N 1.302 115.841 114.554 -0.025 0.000 2.918 255 T HA 0.179 4.527 4.350 -0.004 0.000 0.283 255 T C 1.347 176.016 174.700 -0.050 0.000 1.001 255 T CA 0.140 62.214 62.100 -0.044 0.000 1.041 255 T CB 1.455 70.289 68.868 -0.057 0.000 1.028 255 T HN 0.567 nan 8.240 nan 0.000 0.511 256 S N 0.231 115.870 115.700 -0.102 0.000 2.462 256 S HA -0.137 4.331 4.470 -0.004 0.000 0.243 256 S C 1.052 175.583 174.600 -0.116 0.000 1.003 256 S CA 1.014 59.127 58.200 -0.145 0.000 0.970 256 S CB -0.898 62.020 63.200 -0.468 0.000 0.762 256 S HN 0.712 nan 8.310 nan 0.000 0.510 257 D N 1.169 121.509 120.400 -0.100 0.000 2.395 257 D HA 0.052 4.689 4.640 -0.004 0.000 0.250 257 D C 0.918 177.203 176.300 -0.025 0.000 1.203 257 D CA 0.052 54.012 54.000 -0.066 0.000 0.872 257 D CB 0.376 41.138 40.800 -0.063 0.000 0.941 257 D HN 0.362 nan 8.370 nan 0.000 0.504 258 L N 0.104 121.322 121.223 -0.008 0.000 2.513 258 L HA 0.142 4.480 4.340 -0.004 0.000 0.222 258 L C 0.462 177.351 176.870 0.031 0.000 1.096 258 L CA 0.320 55.165 54.840 0.010 0.000 0.857 258 L CB -0.029 42.037 42.059 0.012 0.000 1.026 258 L HN -0.169 nan 8.230 nan 0.000 0.469 259 N N 1.522 120.251 118.700 0.047 0.000 2.492 259 N HA 0.016 4.754 4.740 -0.004 0.000 0.260 259 N C -0.059 175.484 175.510 0.054 0.000 1.215 259 N CA 0.060 53.154 53.050 0.073 0.000 0.923 259 N CB 0.505 39.070 38.487 0.129 0.000 1.092 259 N HN 0.055 nan 8.380 nan 0.000 0.448 260 R N 0.735 121.267 120.500 0.052 0.000 3.146 260 R HA -0.207 4.131 4.340 -0.004 0.000 0.250 260 R C -1.091 175.232 176.300 0.039 0.000 0.912 260 R CA 0.893 57.019 56.100 0.043 0.000 0.633 260 R CB -0.987 29.337 30.300 0.041 0.000 1.180 260 R HN 0.553 nan 8.270 nan 0.000 0.464 261 K N 1.276 121.701 120.400 0.041 0.000 2.690 261 K HA 0.223 4.541 4.320 -0.004 0.000 0.243 261 K C -0.839 175.791 176.600 0.050 0.000 0.982 261 K CA -0.982 55.329 56.287 0.040 0.000 0.955 261 K CB 1.092 33.610 32.500 0.030 0.000 1.185 261 K HN 0.151 nan 8.250 nan 0.000 0.467 262 N N 1.619 120.354 118.700 0.057 0.000 2.292 262 N HA -0.033 4.704 4.740 -0.004 0.000 0.258 262 N C -0.546 175.018 175.510 0.091 0.000 1.261 262 N CA 0.458 53.552 53.050 0.073 0.000 0.845 262 N CB 0.791 39.323 38.487 0.074 0.000 1.064 262 N HN 0.165 nan 8.380 nan 0.000 0.471 263 V N 3.198 123.180 119.914 0.114 0.000 2.304 263 V HA 0.223 4.340 4.120 -0.004 0.000 0.278 263 V C 0.352 176.596 176.094 0.250 0.000 1.018 263 V CA -0.570 61.828 62.300 0.164 0.000 0.814 263 V CB 1.137 33.039 31.823 0.131 0.000 1.021 263 V HN 0.559 nan 8.190 nan 0.000 0.440 264 T N 3.754 118.466 114.554 0.264 0.000 2.943 264 T HA 0.643 4.990 4.350 -0.004 0.000 0.284 264 T C -0.136 174.709 174.700 0.242 0.000 1.015 264 T CA -0.430 61.805 62.100 0.225 0.000 1.042 264 T CB 1.564 70.543 68.868 0.186 0.000 1.055 264 T HN 0.911 nan 8.240 nan 0.000 0.500 265 c N 0.116 118.735 118.600 0.031 0.000 2.888 265 c HA 0.820 5.388 4.570 -0.004 0.000 0.308 265 c C -0.622 173.479 174.090 0.017 0.000 1.213 265 c CA -1.376 54.822 56.329 -0.218 0.000 1.461 265 c CB -0.089 41.836 42.510 -0.975 0.000 1.934 265 c HN 0.832 nan 8.230 nan 0.000 0.474 266 W N 1.483 122.634 121.300 -0.248 0.000 1.833 266 W HA 0.624 5.283 4.660 -0.003 0.000 0.390 266 W C 0.562 176.993 176.519 -0.147 0.000 1.680 266 W CA 0.757 58.020 57.345 -0.138 0.000 1.828 266 W CB 0.321 29.728 29.460 -0.089 0.000 1.357 266 W HN 1.346 nan 8.180 nan 0.000 0.720 267 A N 0.736 123.628 122.820 0.119 0.000 2.581 267 A HA 0.414 4.731 4.320 -0.004 0.000 0.309 267 A C -1.503 176.045 177.584 -0.060 0.000 1.022 267 A CA -0.830 51.217 52.037 0.017 0.000 0.833 267 A CB 0.360 19.336 19.000 -0.040 0.000 1.208 267 A HN 0.520 nan 8.150 nan 0.000 0.388 268 E N 2.437 122.616 120.200 -0.035 0.000 2.343 268 E HA 0.235 4.583 4.350 -0.004 0.000 0.260 268 E C -0.479 176.078 176.600 -0.072 0.000 0.908 268 E CA -0.892 55.454 56.400 -0.091 0.000 0.814 268 E CB 1.691 31.399 29.700 0.013 0.000 1.302 268 E HN 0.831 nan 8.360 nan 0.000 0.408 269 N N 2.102 120.718 118.700 -0.140 0.000 2.322 269 N HA -0.026 4.712 4.740 -0.004 0.000 0.270 269 N C 0.586 176.054 175.510 -0.069 0.000 1.286 269 N CA -0.123 52.872 53.050 -0.092 0.000 0.948 269 N CB 0.647 39.072 38.487 -0.104 0.000 1.164 269 N HN 0.363 nan 8.380 nan 0.000 0.551 270 D N -1.627 118.758 120.400 -0.025 0.000 2.351 270 D HA -0.124 4.513 4.640 -0.004 0.000 0.216 270 D C 0.355 176.669 176.300 0.024 0.000 0.968 270 D CA 0.595 54.607 54.000 0.020 0.000 0.899 270 D CB -0.171 40.648 40.800 0.031 0.000 0.907 270 D HN 0.206 nan 8.370 nan 0.000 0.514 271 V N -0.642 119.225 119.914 -0.079 0.000 2.629 271 V HA 0.622 4.740 4.120 -0.004 0.000 0.263 271 V C -0.086 175.696 176.094 -0.519 0.000 0.959 271 V CA 0.605 62.822 62.300 -0.139 0.000 0.869 271 V CB 0.460 32.299 31.823 0.026 0.000 1.060 271 V HN 0.660 nan 8.190 nan 0.000 0.474 272 G N 4.879 112.905 108.800 -1.290 0.000 2.373 272 G HA2 0.126 4.084 3.960 -0.004 0.000 0.634 272 G HA3 0.126 4.084 3.960 -0.004 0.000 0.634 272 G C -1.037 172.939 174.900 -1.540 0.000 1.267 272 G CA -0.246 43.719 45.100 -1.891 0.000 1.008 272 G HN 1.126 nan 8.290 nan 0.000 0.497 273 R N -0.559 119.389 120.500 -0.920 0.000 2.698 273 R HA 0.756 5.094 4.340 -0.004 0.000 0.275 273 R C -0.856 175.291 176.300 -0.256 0.000 1.001 273 R CA -0.095 55.735 56.100 -0.449 0.000 0.896 273 R CB 1.736 31.901 30.300 -0.225 0.000 1.218 273 R HN 2.010 nan 8.270 nan 0.000 0.462 274 A N 3.145 125.853 122.820 -0.186 0.000 2.359 274 A HA 0.411 4.729 4.320 -0.004 0.000 0.303 274 A C -1.273 176.256 177.584 -0.092 0.000 1.066 274 A CA -0.770 51.196 52.037 -0.118 0.000 0.730 274 A CB 1.304 20.245 19.000 -0.098 0.000 1.211 274 A HN 0.815 nan 8.150 nan 0.000 0.439 275 E N 1.475 121.638 120.200 -0.063 0.000 2.171 275 E HA 0.664 5.012 4.350 -0.004 0.000 0.271 275 E C -1.563 175.036 176.600 -0.002 0.000 0.916 275 E CA -0.830 55.560 56.400 -0.018 0.000 0.774 275 E CB 2.145 31.848 29.700 0.004 0.000 1.128 275 E HN 0.459 nan 8.360 nan 0.000 0.403 276 V N 2.624 122.539 119.914 0.003 0.000 2.604 276 V HA 0.629 4.746 4.120 -0.004 0.000 0.305 276 V C -1.228 174.889 176.094 0.038 0.000 1.043 276 V CA -0.256 62.051 62.300 0.011 0.000 0.888 276 V CB 2.046 33.864 31.823 -0.008 0.000 0.995 276 V HN 0.900 nan 8.190 nan 0.000 0.429 277 S N 5.718 121.452 115.700 0.057 0.000 2.547 277 S HA 0.874 5.342 4.470 -0.004 0.000 0.281 277 S C -0.704 173.947 174.600 0.085 0.000 1.118 277 S CA -0.327 57.927 58.200 0.090 0.000 0.947 277 S CB 1.436 64.694 63.200 0.096 0.000 1.053 277 S HN 1.601 nan 8.310 nan 0.000 0.482 278 V N 0.287 120.266 119.914 0.108 0.000 3.181 278 V HA 0.776 4.894 4.120 -0.004 0.000 0.314 278 V C -0.902 175.244 176.094 0.087 0.000 1.173 278 V CA -0.885 61.469 62.300 0.090 0.000 1.052 278 V CB 1.320 33.201 31.823 0.097 0.000 1.123 278 V HN 1.008 nan 8.190 nan 0.000 0.454 279 Q N -0.877 118.964 119.800 0.068 0.000 2.587 279 Q HA 0.657 4.995 4.340 -0.004 0.000 0.293 279 Q C 0.019 176.050 176.000 0.051 0.000 1.083 279 Q CA -0.672 55.166 55.803 0.059 0.000 0.792 279 Q CB 2.488 31.256 28.738 0.051 0.000 1.484 279 Q HN 0.573 nan 8.270 nan 0.000 0.446 280 V N -0.368 119.574 119.914 0.047 0.000 2.599 280 V HA 0.080 4.197 4.120 -0.004 0.000 0.237 280 V C -0.220 175.902 176.094 0.048 0.000 1.081 280 V CA 0.290 62.615 62.300 0.042 0.000 1.107 280 V CB -0.306 31.537 31.823 0.034 0.000 0.808 280 V HN 0.881 nan 8.190 nan 0.000 0.486 281 N N 0.747 119.482 118.700 0.058 0.000 2.590 281 N HA -0.117 4.620 4.740 -0.004 0.000 0.273 281 N C -0.717 174.844 175.510 0.085 0.000 1.210 281 N CA 0.783 53.874 53.050 0.068 0.000 0.676 281 N CB -0.764 37.751 38.487 0.047 0.000 0.881 281 N HN 0.550 nan 8.380 nan 0.000 0.550 282 V N -0.563 119.425 119.914 0.123 0.000 2.539 282 V HA 0.890 5.008 4.120 -0.004 0.000 0.292 282 V C 0.801 177.046 176.094 0.251 0.000 1.045 282 V CA -0.459 61.936 62.300 0.158 0.000 0.945 282 V CB 2.007 33.913 31.823 0.138 0.000 0.993 282 V HN 0.498 nan 8.190 nan 0.000 0.464 283 S N 4.140 119.992 115.700 0.253 0.000 2.593 283 S HA 0.967 5.434 4.470 -0.004 0.000 0.297 283 S C -0.704 174.073 174.600 0.296 0.000 1.112 283 S CA -0.624 57.724 58.200 0.248 0.000 1.043 283 S CB 1.453 64.849 63.200 0.327 0.000 1.054 283 S HN 1.618 nan 8.310 nan 0.000 0.516 284 F N -2.499 117.400 119.950 -0.085 0.000 2.703 284 F HA 0.702 5.227 4.527 -0.004 0.000 0.308 284 F C -3.270 172.096 175.800 -0.722 0.000 1.126 284 F CA -2.325 55.302 58.000 -0.621 0.000 0.959 284 F CB 0.392 39.218 39.000 -0.290 0.000 1.297 284 F HN 0.413 nan 8.300 nan 0.000 0.441 285 P HA 0.158 nan 4.420 nan 0.000 0.269 285 P C -0.446 176.811 177.300 -0.071 0.000 1.217 285 P CA 0.147 63.038 63.100 -0.349 0.000 0.783 285 P CB 0.714 32.270 31.700 -0.241 0.000 0.898 286 A N 2.491 125.309 122.820 -0.004 0.000 2.425 286 A HA 0.470 4.788 4.320 -0.004 0.000 0.249 286 A C 0.523 178.135 177.584 0.046 0.000 1.084 286 A CA 0.057 52.104 52.037 0.017 0.000 0.781 286 A CB -0.373 18.640 19.000 0.023 0.000 1.019 286 A HN 0.624 nan 8.150 nan 0.000 0.490 287 S N 0.262 116.003 115.700 0.069 0.000 2.548 287 S HA 0.813 5.281 4.470 -0.004 0.000 0.286 287 S C -0.885 173.762 174.600 0.077 0.000 1.098 287 S CA -0.620 57.623 58.200 0.072 0.000 0.930 287 S CB 1.626 64.882 63.200 0.094 0.000 1.070 287 S HN 1.191 nan 8.310 nan 0.000 0.480 288 V N 1.979 121.930 119.914 0.062 0.000 3.000 288 V HA 0.655 4.772 4.120 -0.004 0.000 0.300 288 V C -1.269 174.862 176.094 0.063 0.000 1.251 288 V CA -0.791 61.553 62.300 0.073 0.000 0.972 288 V CB 1.762 33.595 31.823 0.017 0.000 1.065 288 V HN 1.132 nan 8.190 nan 0.000 0.431 289 Q N 3.224 123.089 119.800 0.108 0.000 2.418 289 Q HA 0.880 5.217 4.340 -0.004 0.000 0.282 289 Q C -2.336 173.734 176.000 0.117 0.000 1.044 289 Q CA -0.950 54.889 55.803 0.060 0.000 0.813 289 Q CB 2.876 31.618 28.738 0.007 0.000 1.428 289 Q HN 0.447 nan 8.270 nan 0.000 0.402 290 L N 1.496 122.749 121.223 0.049 0.000 2.341 290 L HA 0.559 4.896 4.340 -0.004 0.000 0.267 290 L C -0.486 176.390 176.870 0.010 0.000 1.009 290 L CA -0.437 54.498 54.840 0.159 0.000 0.819 290 L CB 1.952 44.124 42.059 0.188 0.000 1.323 290 L HN 0.693 nan 8.230 nan 0.000 0.425 291 H N -0.018 119.156 119.070 0.173 0.000 2.670 291 H HA 0.359 4.913 4.556 -0.004 0.000 0.361 291 H C -0.594 174.813 175.328 0.133 0.000 1.169 291 H CA -0.881 55.242 56.048 0.125 0.000 1.198 291 H CB 1.723 31.541 29.762 0.093 0.000 1.700 291 H HN 0.446 nan 8.280 nan 0.000 0.542 292 T N 1.601 116.293 114.554 0.229 0.000 2.891 292 T HA 0.063 4.411 4.350 -0.004 0.000 0.296 292 T C 0.615 175.435 174.700 0.200 0.000 1.025 292 T CA -0.066 62.142 62.100 0.179 0.000 1.149 292 T CB 0.016 68.968 68.868 0.138 0.000 1.007 292 T HN 0.606 nan 8.240 nan 0.000 0.528 293 A N 3.172 126.128 122.820 0.226 0.000 2.498 293 A HA 0.454 4.772 4.320 -0.004 0.000 0.239 293 A C 0.283 178.031 177.584 0.274 0.000 1.068 293 A CA -0.439 51.784 52.037 0.309 0.000 0.766 293 A CB 0.229 19.486 19.000 0.430 0.000 1.003 293 A HN 0.841 nan 8.150 nan 0.000 0.497 294 V N 2.506 122.513 119.914 0.156 0.000 2.709 294 V HA 0.556 4.673 4.120 -0.004 0.000 0.308 294 V C -0.333 175.497 176.094 -0.439 0.000 1.062 294 V CA -0.646 61.587 62.300 -0.110 0.000 0.901 294 V CB 1.711 33.487 31.823 -0.077 0.000 1.003 294 V HN 1.024 nan 8.190 nan 0.000 0.425 295 E N 6.649 126.291 120.200 -0.930 0.000 2.130 295 E HA 0.500 4.847 4.350 -0.004 0.000 0.284 295 E C -0.385 175.879 176.600 -0.561 0.000 1.018 295 E CA -0.359 55.285 56.400 -1.260 0.000 0.817 295 E CB 1.232 29.880 29.700 -1.753 0.000 1.078 295 E HN 0.833 nan 8.360 nan 0.000 0.396 296 M N 1.989 121.370 119.600 -0.365 0.000 2.317 296 M HA 0.136 4.614 4.480 -0.004 0.000 0.218 296 M C 1.307 177.565 176.300 -0.070 0.000 1.049 296 M CA -0.585 54.620 55.300 -0.158 0.000 1.855 296 M CB -0.313 32.241 32.600 -0.076 0.000 1.158 296 M HN 0.664 nan 8.290 nan 0.000 0.904 297 H N -0.123 118.928 119.070 -0.031 0.000 2.326 297 H HA 0.038 4.592 4.556 -0.003 0.000 0.301 297 H C -0.117 175.274 175.328 0.105 0.000 1.081 297 H CA 1.828 57.904 56.048 0.046 0.000 1.334 297 H CB 0.080 29.904 29.762 0.103 0.000 1.385 297 H HN 0.306 nan 8.280 nan 0.000 0.504 298 H N -2.152 116.746 119.070 -0.287 0.000 2.710 298 H HA 0.264 4.818 4.556 -0.004 0.000 0.361 298 H C -0.952 174.271 175.328 -0.175 0.000 1.175 298 H CA -0.772 55.108 56.048 -0.280 0.000 1.206 298 H CB 0.446 30.093 29.762 -0.192 0.000 1.750 298 H HN 0.239 nan 8.280 nan 0.000 0.553 299 W N 0.679 121.898 121.300 -0.136 0.000 2.237 299 W HA 0.419 5.077 4.660 -0.004 0.000 0.335 299 W C -0.100 176.334 176.519 -0.143 0.000 1.230 299 W CA 0.167 57.424 57.345 -0.147 0.000 1.253 299 W CB 0.896 30.186 29.460 -0.283 0.000 1.129 299 W HN 0.465 nan 8.180 nan 0.000 0.590 300 c N 5.001 123.688 118.600 0.145 0.000 2.891 300 c HA 0.626 5.193 4.570 -0.004 0.000 0.342 300 c C -0.884 173.273 174.090 0.112 0.000 1.126 300 c CA -0.988 55.367 56.329 0.044 0.000 1.322 300 c CB -0.169 42.336 42.510 -0.008 0.000 1.763 300 c HN 0.556 nan 8.230 nan 0.000 0.491 301 I N 6.005 126.621 120.570 0.077 0.000 2.337 301 I HA 0.325 4.492 4.170 -0.004 0.000 0.285 301 I C -2.165 174.122 176.117 0.284 0.000 1.041 301 I CA -1.694 59.717 61.300 0.184 0.000 1.199 301 I CB 1.420 39.507 38.000 0.146 0.000 1.370 301 I HN 0.454 nan 8.210 nan 0.000 0.470 302 P HA 0.153 nan 4.420 nan 0.000 0.271 302 P C -0.961 176.607 177.300 0.446 0.000 1.216 302 P CA 0.117 63.348 63.100 0.217 0.000 0.776 302 P CB 0.424 32.151 31.700 0.044 0.000 0.881 303 F N -0.843 119.287 119.950 0.299 0.000 2.613 303 F HA 0.783 5.308 4.527 -0.004 0.000 0.310 303 F C -1.135 174.869 175.800 0.339 0.000 1.085 303 F CA -0.937 57.256 58.000 0.321 0.000 0.945 303 F CB 1.273 40.441 39.000 0.279 0.000 1.298 303 F HN 0.039 nan 8.300 nan 0.000 0.455 304 S N 2.053 118.059 115.700 0.511 0.000 2.594 304 S HA 0.730 5.198 4.470 -0.004 0.000 0.296 304 S C -1.585 173.260 174.600 0.408 0.000 1.124 304 S CA -0.754 57.715 58.200 0.448 0.000 1.011 304 S CB 1.727 65.221 63.200 0.491 0.000 1.016 304 S HN 0.886 nan 8.310 nan 0.000 0.485 305 V N 3.249 123.376 119.914 0.355 0.000 2.760 305 V HA 0.663 4.781 4.120 -0.004 0.000 0.309 305 V C -1.581 174.609 176.094 0.160 0.000 1.077 305 V CA -0.464 61.996 62.300 0.268 0.000 0.910 305 V CB 2.013 34.030 31.823 0.323 0.000 1.008 305 V HN 0.906 nan 8.190 nan 0.000 0.424 306 D N 3.043 123.523 120.400 0.132 0.000 2.533 306 D HA 0.889 5.527 4.640 -0.004 0.000 0.247 306 D C -0.305 176.037 176.300 0.070 0.000 1.056 306 D CA 0.663 54.740 54.000 0.129 0.000 1.054 306 D CB 2.503 43.425 40.800 0.204 0.000 1.400 306 D HN 1.272 nan 8.370 nan 0.000 0.533 307 G N 0.784 109.560 108.800 -0.041 0.000 2.326 307 G HA2 0.300 4.258 3.960 -0.004 0.000 0.478 307 G HA3 0.300 4.258 3.960 -0.004 0.000 0.478 307 G C -1.845 172.594 174.900 -0.769 0.000 1.551 307 G CA -0.721 44.101 45.100 -0.463 0.000 0.946 307 G HN 0.345 nan 8.290 nan 0.000 0.671 308 Q N 0.832 119.899 119.800 -1.221 0.000 2.269 308 Q HA 0.466 4.804 4.340 -0.004 0.000 0.263 308 Q C -2.658 173.213 176.000 -0.215 0.000 0.983 308 Q CA -1.580 53.826 55.803 -0.661 0.000 0.777 308 Q CB 3.002 31.350 28.738 -0.651 0.000 1.273 308 Q HN 0.388 nan 8.270 nan 0.000 0.440 309 P HA 0.004 nan 4.420 nan 0.000 0.269 309 P C -0.875 176.354 177.300 -0.118 0.000 1.211 309 P CA 0.136 63.188 63.100 -0.081 0.000 0.781 309 P CB 0.554 32.228 31.700 -0.043 0.000 0.877 310 A N 3.905 126.668 122.820 -0.095 0.000 2.511 310 A HA 0.304 4.622 4.320 -0.004 0.000 0.242 310 A C -1.804 175.755 177.584 -0.042 0.000 1.069 310 A CA -0.686 51.303 52.037 -0.079 0.000 0.763 310 A CB -1.147 17.812 19.000 -0.068 0.000 1.001 310 A HN 0.421 nan 8.150 nan 0.000 0.498 311 P HA 0.257 nan 4.420 nan 0.000 0.279 311 P C -0.286 177.034 177.300 0.033 0.000 1.252 311 P CA -0.301 62.803 63.100 0.006 0.000 0.811 311 P CB 1.200 32.907 31.700 0.011 0.000 1.035 312 S N 1.272 116.988 115.700 0.028 0.000 2.586 312 S HA 0.521 4.989 4.470 -0.004 0.000 0.274 312 S C -0.118 174.503 174.600 0.036 0.000 1.281 312 S CA -0.609 57.619 58.200 0.047 0.000 1.035 312 S CB 0.333 63.552 63.200 0.032 0.000 0.962 312 S HN 0.267 nan 8.310 nan 0.000 0.512 313 L N 1.907 123.165 121.223 0.058 0.000 2.331 313 L HA 0.705 5.043 4.340 -0.004 0.000 0.275 313 L C 0.232 177.099 176.870 -0.005 0.000 1.022 313 L CA -0.296 54.535 54.840 -0.016 0.000 0.812 313 L CB 1.692 43.734 42.059 -0.029 0.000 1.257 313 L HN 0.908 nan 8.230 nan 0.000 0.435 314 R N 1.142 121.588 120.500 -0.090 0.000 2.604 314 R HA 0.411 4.748 4.340 -0.004 0.000 0.270 314 R C -2.115 174.126 176.300 -0.099 0.000 1.052 314 R CA -0.600 55.500 56.100 -0.000 0.000 0.902 314 R CB 1.263 31.567 30.300 0.007 0.000 1.233 314 R HN 0.529 nan 8.270 nan 0.000 0.455 315 W N 3.715 125.014 121.300 -0.002 0.000 2.639 315 W HA 0.616 5.273 4.660 -0.004 0.000 0.347 315 W C -0.590 175.956 176.519 0.045 0.000 1.067 315 W CA -0.513 56.848 57.345 0.027 0.000 1.218 315 W CB 1.491 30.984 29.460 0.055 0.000 1.393 315 W HN 0.219 nan 8.180 nan 0.000 0.557 316 L N 2.478 123.887 121.223 0.311 0.000 2.370 316 L HA 0.538 4.876 4.340 -0.004 0.000 0.266 316 L C -1.336 175.654 176.870 0.199 0.000 1.002 316 L CA -1.160 53.793 54.840 0.187 0.000 0.818 316 L CB 1.992 44.095 42.059 0.073 0.000 1.325 316 L HN 0.197 nan 8.230 nan 0.000 0.418 317 F N 3.659 123.546 119.950 -0.106 0.000 2.496 317 F HA 0.442 4.967 4.527 -0.004 0.000 0.341 317 F C 0.403 176.074 175.800 -0.214 0.000 1.134 317 F CA -0.918 56.875 58.000 -0.345 0.000 0.968 317 F CB 0.551 39.325 39.000 -0.378 0.000 1.205 317 F HN 0.573 nan 8.300 nan 0.000 0.436 318 N N 4.340 122.735 118.700 -0.508 0.000 2.754 318 N HA -0.189 4.549 4.740 -0.004 0.000 0.248 318 N C 1.031 176.390 175.510 -0.251 0.000 1.093 318 N CA 1.306 54.072 53.050 -0.473 0.000 0.699 318 N CB -1.171 36.863 38.487 -0.755 0.000 1.016 318 N HN 1.404 nan 8.380 nan 0.000 0.552 319 G N -1.605 107.110 108.800 -0.141 0.000 2.205 319 G HA2 -0.304 3.653 3.960 -0.004 0.000 0.261 319 G HA3 -0.304 3.653 3.960 -0.004 0.000 0.261 319 G C 0.034 174.902 174.900 -0.053 0.000 0.980 319 G CA 0.916 45.968 45.100 -0.080 0.000 0.632 319 G HN 0.926 nan 8.290 nan 0.000 0.533 320 S N -0.616 115.051 115.700 -0.055 0.000 2.621 320 S HA 0.693 5.161 4.470 -0.004 0.000 0.302 320 S C 0.730 175.353 174.600 0.039 0.000 1.093 320 S CA 0.163 58.354 58.200 -0.014 0.000 1.017 320 S CB 1.588 64.772 63.200 -0.027 0.000 1.077 320 S HN 1.776 nan 8.310 nan 0.000 0.517 321 V N 2.826 122.769 119.914 0.049 0.000 2.644 321 V HA 0.342 4.459 4.120 -0.004 0.000 0.305 321 V C -0.229 175.932 176.094 0.112 0.000 1.053 321 V CA -0.216 62.132 62.300 0.080 0.000 1.186 321 V CB -0.089 31.771 31.823 0.062 0.000 0.895 321 V HN 0.686 nan 8.190 nan 0.000 0.490 322 L N 5.744 127.059 121.223 0.152 0.000 2.280 322 L HA 0.585 4.923 4.340 -0.004 0.000 0.287 322 L C -0.148 176.798 176.870 0.126 0.000 1.023 322 L CA -0.222 54.714 54.840 0.159 0.000 0.819 322 L CB 0.937 43.123 42.059 0.211 0.000 1.212 322 L HN 0.812 nan 8.230 nan 0.000 0.420 323 N N 4.509 123.264 118.700 0.091 0.000 2.419 323 N HA 0.195 4.933 4.740 -0.004 0.000 0.264 323 N C -0.577 174.969 175.510 0.060 0.000 1.031 323 N CA -0.337 52.758 53.050 0.074 0.000 0.951 323 N CB 1.149 39.672 38.487 0.059 0.000 1.101 323 N HN 0.653 nan 8.380 nan 0.000 0.488 324 E N 0.552 120.790 120.200 0.063 0.000 2.398 324 E HA 0.117 4.465 4.350 -0.004 0.000 0.263 324 E C 0.651 177.282 176.600 0.052 0.000 1.046 324 E CA 0.121 56.556 56.400 0.060 0.000 0.908 324 E CB 0.784 30.537 29.700 0.088 0.000 0.963 324 E HN 0.644 nan 8.360 nan 0.000 0.431 325 T N -2.268 112.324 114.554 0.064 0.000 2.604 325 T HA 0.211 4.559 4.350 -0.004 0.000 0.267 325 T C 1.026 175.695 174.700 -0.051 0.000 0.923 325 T CA -0.131 61.972 62.100 0.005 0.000 1.077 325 T CB 0.848 69.738 68.868 0.036 0.000 1.392 325 T HN 0.357 nan 8.240 nan 0.000 0.531 326 S N -0.506 115.024 115.700 -0.283 0.000 2.496 326 S HA 0.124 4.591 4.470 -0.004 0.000 0.224 326 S C 1.039 175.403 174.600 -0.395 0.000 0.996 326 S CA 0.121 58.024 58.200 -0.495 0.000 0.927 326 S CB -0.734 62.000 63.200 -0.776 0.000 0.774 326 S HN 0.561 nan 8.310 nan 0.000 0.524 327 F N 1.118 121.172 119.950 0.175 0.000 2.717 327 F HA 0.549 5.073 4.527 -0.004 0.000 0.295 327 F C 0.602 176.449 175.800 0.078 0.000 1.117 327 F CA -0.819 57.269 58.000 0.147 0.000 1.361 327 F CB 0.270 39.276 39.000 0.010 0.000 1.112 327 F HN 0.106 nan 8.300 nan 0.000 0.594 328 I N 1.456 122.150 120.570 0.206 0.000 2.517 328 I HA 0.283 4.450 4.170 -0.004 0.000 0.280 328 I C -1.244 174.870 176.117 -0.004 0.000 1.061 328 I CA -0.625 60.643 61.300 -0.054 0.000 1.091 328 I CB 1.310 39.245 38.000 -0.108 0.000 1.205 328 I HN -0.120 nan 8.210 nan 0.000 0.459 329 F N 1.997 121.858 119.950 -0.148 0.000 2.686 329 F HA 0.640 5.164 4.527 -0.004 0.000 0.311 329 F C -0.593 175.100 175.800 -0.178 0.000 1.128 329 F CA -1.006 56.905 58.000 -0.148 0.000 0.946 329 F CB 0.968 39.913 39.000 -0.092 0.000 1.336 329 F HN -0.011 nan 8.300 nan 0.000 0.457 330 T N 1.197 115.760 114.554 0.015 0.000 2.856 330 T HA 0.380 4.727 4.350 -0.004 0.000 0.292 330 T C -0.930 173.850 174.700 0.133 0.000 0.980 330 T CA -0.250 61.833 62.100 -0.028 0.000 1.091 330 T CB 0.872 69.738 68.868 -0.002 0.000 0.936 330 T HN 0.689 nan 8.240 nan 0.000 0.503 331 E N 2.013 122.249 120.200 0.059 0.000 2.263 331 E HA 0.417 4.765 4.350 -0.004 0.000 0.268 331 E C -1.343 175.286 176.600 0.049 0.000 0.884 331 E CA -0.641 55.839 56.400 0.134 0.000 0.766 331 E CB 1.026 30.852 29.700 0.210 0.000 1.196 331 E HN 0.363 nan 8.360 nan 0.000 0.416 332 F N 3.072 123.157 119.950 0.224 0.000 2.385 332 F HA 0.360 4.884 4.527 -0.004 0.000 0.336 332 F C 0.481 176.327 175.800 0.077 0.000 1.100 332 F CA -0.387 57.709 58.000 0.160 0.000 1.116 332 F CB 0.788 39.891 39.000 0.172 0.000 1.166 332 F HN 0.339 nan 8.300 nan 0.000 0.511 333 L N 1.299 122.673 121.223 0.253 0.000 2.454 333 L HA 0.282 4.620 4.340 -0.004 0.000 0.256 333 L C 0.095 177.050 176.870 0.142 0.000 1.136 333 L CA -0.849 54.077 54.840 0.143 0.000 0.804 333 L CB 0.723 42.841 42.059 0.097 0.000 1.181 333 L HN 0.496 nan 8.230 nan 0.000 0.469 334 E N 2.618 122.873 120.200 0.092 0.000 2.376 334 E HA 0.102 4.449 4.350 -0.004 0.000 0.266 334 E C -2.169 174.461 176.600 0.050 0.000 1.009 334 E CA -1.264 55.174 56.400 0.063 0.000 0.902 334 E CB 0.439 30.167 29.700 0.047 0.000 0.972 334 E HN 0.127 nan 8.360 nan 0.000 0.439 335 P HA 0.078 nan 4.420 nan 0.000 0.267 335 P C -0.975 176.336 177.300 0.018 0.000 1.205 335 P CA -0.209 62.890 63.100 -0.002 0.000 0.765 335 P CB 1.119 32.799 31.700 -0.034 0.000 0.828 336 A N 3.597 126.434 122.820 0.029 0.000 2.296 336 A HA 0.543 4.861 4.320 -0.004 0.000 0.264 336 A C 0.531 178.132 177.584 0.028 0.000 1.097 336 A CA -0.262 51.799 52.037 0.039 0.000 0.811 336 A CB -0.169 18.869 19.000 0.064 0.000 1.072 336 A HN 0.688 nan 8.150 nan 0.000 0.495 337 A N 1.335 124.173 122.820 0.030 0.000 2.548 337 A HA 0.391 4.709 4.320 -0.004 0.000 0.247 337 A C 0.564 178.165 177.584 0.028 0.000 1.067 337 A CA 0.227 52.280 52.037 0.027 0.000 0.757 337 A CB -1.097 17.919 19.000 0.027 0.000 0.996 337 A HN 1.952 nan 8.150 nan 0.000 0.504 338 N N 0.825 119.541 118.700 0.027 0.000 2.676 338 N HA -0.183 4.554 4.740 -0.004 0.000 0.290 338 N C -0.462 175.066 175.510 0.030 0.000 1.109 338 N CA 1.477 54.544 53.050 0.029 0.000 0.779 338 N CB -1.400 37.105 38.487 0.029 0.000 0.947 338 N HN 0.935 nan 8.380 nan 0.000 0.566 339 E N -2.913 117.306 120.200 0.032 0.000 2.597 339 E HA 0.236 4.584 4.350 -0.004 0.000 0.310 339 E C -0.270 176.350 176.600 0.033 0.000 0.970 339 E CA -0.595 55.827 56.400 0.036 0.000 0.819 339 E CB 0.220 29.942 29.700 0.036 0.000 1.267 339 E HN 0.193 nan 8.360 nan 0.000 0.411 340 T N -0.389 114.206 114.554 0.068 0.000 3.085 340 T HA 0.016 4.363 4.350 -0.004 0.000 0.263 340 T C 1.070 175.787 174.700 0.028 0.000 1.127 340 T CA 0.316 62.458 62.100 0.071 0.000 1.103 340 T CB 0.123 69.097 68.868 0.176 0.000 0.921 340 T HN 0.335 nan 8.240 nan 0.000 0.510 341 V N 2.761 122.681 119.914 0.009 0.000 2.655 341 V HA 0.299 4.417 4.120 -0.004 0.000 0.300 341 V C -0.180 175.772 176.094 -0.235 0.000 1.044 341 V CA -0.419 61.837 62.300 -0.074 0.000 1.095 341 V CB 0.201 31.982 31.823 -0.070 0.000 0.952 341 V HN 0.353 nan 8.190 nan 0.000 0.485 342 R N 5.304 125.673 120.500 -0.218 0.000 2.637 342 R HA 0.569 4.907 4.340 -0.004 0.000 0.291 342 R C -0.963 175.183 176.300 -0.257 0.000 0.963 342 R CA -0.630 55.357 56.100 -0.188 0.000 0.901 342 R CB 1.720 32.024 30.300 0.007 0.000 1.160 342 R HN 0.825 nan 8.270 nan 0.000 0.457 343 H N -0.700 118.396 119.070 0.044 0.000 2.731 343 H HA 0.766 5.319 4.556 -0.004 0.000 0.368 343 H C 0.391 175.481 175.328 -0.397 0.000 1.168 343 H CA -0.710 55.215 56.048 -0.206 0.000 1.181 343 H CB 2.378 32.068 29.762 -0.120 0.000 1.743 343 H HN 0.853 nan 8.280 nan 0.000 0.547 344 G N -0.648 107.692 108.800 -0.767 0.000 2.364 344 G HA2 0.417 4.375 3.960 -0.004 0.000 0.286 344 G HA3 0.417 4.375 3.960 -0.004 0.000 0.286 344 G C -1.609 172.995 174.900 -0.493 0.000 1.241 344 G CA -0.233 44.478 45.100 -0.648 0.000 0.887 344 G HN 0.757 nan 8.290 nan 0.000 0.484 345 c N -1.100 117.496 118.600 -0.007 0.000 3.173 345 c HA 0.721 5.289 4.570 -0.004 0.000 0.310 345 c C -0.907 173.292 174.090 0.182 0.000 1.306 345 c CA -0.639 55.795 56.329 0.175 0.000 1.426 345 c CB 1.251 43.754 42.510 -0.011 0.000 1.800 345 c HN 0.955 nan 8.230 nan 0.000 0.470 346 L N 2.655 123.860 121.223 -0.030 0.000 2.257 346 L HA 0.575 4.912 4.340 -0.004 0.000 0.290 346 L C 0.035 176.638 176.870 -0.444 0.000 1.044 346 L CA 0.256 54.788 54.840 -0.514 0.000 0.810 346 L CB 0.087 41.458 42.059 -1.147 0.000 1.193 346 L HN 0.588 nan 8.230 nan 0.000 0.425 347 R N 5.847 125.978 120.500 -0.614 0.000 2.297 347 R HA 0.570 4.907 4.340 -0.004 0.000 0.308 347 R C -1.279 174.694 176.300 -0.545 0.000 1.029 347 R CA -0.795 54.950 56.100 -0.591 0.000 0.929 347 R CB 1.032 30.810 30.300 -0.870 0.000 1.046 347 R HN 0.501 nan 8.270 nan 0.000 0.461 348 L N 3.411 124.459 121.223 -0.292 0.000 2.342 348 L HA 0.267 4.604 4.340 -0.004 0.000 0.276 348 L C -0.093 176.653 176.870 -0.206 0.000 0.997 348 L CA -0.582 54.065 54.840 -0.323 0.000 0.838 348 L CB 1.168 42.867 42.059 -0.600 0.000 1.224 348 L HN 0.589 nan 8.230 nan 0.000 0.416 349 N N 4.929 123.544 118.700 -0.140 0.000 2.439 349 N HA 0.069 4.807 4.740 -0.004 0.000 0.243 349 N C -0.171 175.146 175.510 -0.321 0.000 1.088 349 N CA 0.171 53.003 53.050 -0.364 0.000 0.940 349 N CB 0.522 39.056 38.487 0.079 0.000 1.180 349 N HN 0.547 nan 8.380 nan 0.000 0.505 350 Q N 0.635 120.230 119.800 -0.342 0.000 2.454 350 Q HA -0.150 4.188 4.340 -0.004 0.000 0.341 350 Q C -2.115 173.712 176.000 -0.289 0.000 1.437 350 Q CA 0.212 55.869 55.803 -0.243 0.000 0.935 350 Q CB -1.043 27.559 28.738 -0.228 0.000 1.164 350 Q HN 0.588 nan 8.270 nan 0.000 0.373 351 P HA 0.156 nan 4.420 nan 0.000 0.277 351 P C 0.088 177.189 177.300 -0.332 0.000 1.240 351 P CA -0.023 62.756 63.100 -0.535 0.000 0.798 351 P CB 1.342 32.350 31.700 -1.153 0.000 0.979 352 T N -2.389 112.053 114.554 -0.187 0.000 2.819 352 T HA 0.226 4.574 4.350 -0.004 0.000 0.271 352 T C 1.614 176.342 174.700 0.048 0.000 0.986 352 T CA -0.326 61.756 62.100 -0.031 0.000 0.989 352 T CB -0.061 68.807 68.868 0.001 0.000 1.396 352 T HN 0.582 nan 8.240 nan 0.000 0.597 353 H N 0.348 119.433 119.070 0.025 0.000 2.491 353 H HA -0.018 4.536 4.556 -0.004 0.000 0.290 353 H C 1.914 177.288 175.328 0.077 0.000 1.050 353 H CA 1.624 57.696 56.048 0.040 0.000 1.309 353 H CB -1.077 28.695 29.762 0.017 0.000 1.392 353 H HN 0.461 nan 8.280 nan 0.000 0.554 354 V N -0.674 118.860 119.914 -0.633 0.000 3.305 354 V HA -0.042 4.076 4.120 -0.004 0.000 0.269 354 V C 0.942 177.025 176.094 -0.019 0.000 1.157 354 V CA 1.455 63.543 62.300 -0.353 0.000 1.157 354 V CB -0.888 30.731 31.823 -0.339 0.000 0.772 354 V HN 0.282 nan 8.190 nan 0.000 0.498 355 N N 0.444 119.163 118.700 0.033 0.000 2.236 355 N HA 0.138 4.875 4.740 -0.004 0.000 0.196 355 N C -0.219 175.522 175.510 0.384 0.000 1.114 355 N CA -0.226 52.890 53.050 0.111 0.000 0.859 355 N CB 0.009 38.507 38.487 0.018 0.000 0.982 355 N HN 0.459 nan 8.380 nan 0.000 0.493 356 N N 1.088 119.925 118.700 0.228 0.000 2.492 356 N HA 0.374 5.112 4.740 -0.004 0.000 0.262 356 N C 0.525 176.223 175.510 0.313 0.000 1.202 356 N CA 0.545 53.621 53.050 0.043 0.000 0.926 356 N CB 1.190 39.671 38.487 -0.010 0.000 1.078 356 N HN 0.256 nan 8.380 nan 0.000 0.454 357 G N 0.587 109.566 108.800 0.298 0.000 2.345 357 G HA2 0.031 3.988 3.960 -0.004 0.000 0.285 357 G HA3 0.031 3.988 3.960 -0.004 0.000 0.285 357 G C -1.542 173.524 174.900 0.276 0.000 1.297 357 G CA -0.894 44.370 45.100 0.274 0.000 0.875 357 G HN 0.570 nan 8.290 nan 0.000 0.506 358 N N -0.166 118.578 118.700 0.074 0.000 2.419 358 N HA 0.568 5.305 4.740 -0.004 0.000 0.264 358 N C -1.479 174.091 175.510 0.101 0.000 1.031 358 N CA -0.302 52.814 53.050 0.111 0.000 0.951 358 N CB 0.436 38.920 38.487 -0.006 0.000 1.101 358 N HN 0.370 nan 8.380 nan 0.000 0.488 359 Y N 1.325 121.798 120.300 0.288 0.000 2.331 359 Y HA 0.352 4.900 4.550 -0.004 0.000 0.338 359 Y C 0.380 176.469 175.900 0.314 0.000 0.992 359 Y CA -0.432 57.914 58.100 0.410 0.000 1.121 359 Y CB 1.768 40.517 38.460 0.483 0.000 1.184 359 Y HN 0.295 nan 8.280 nan 0.000 0.469 360 T N 5.172 119.926 114.554 0.334 0.000 2.812 360 T HA 0.412 4.759 4.350 -0.004 0.000 0.282 360 T C -1.351 173.210 174.700 -0.232 0.000 0.990 360 T CA -0.583 61.554 62.100 0.061 0.000 0.960 360 T CB 1.035 69.913 68.868 0.016 0.000 0.948 360 T HN 0.335 nan 8.240 nan 0.000 0.438 361 L N 4.921 125.808 121.223 -0.559 0.000 2.282 361 L HA 0.598 4.936 4.340 -0.004 0.000 0.288 361 L C -1.428 175.154 176.870 -0.481 0.000 1.033 361 L CA -0.721 53.528 54.840 -0.984 0.000 0.807 361 L CB 0.622 41.933 42.059 -1.246 0.000 1.209 361 L HN 0.418 nan 8.230 nan 0.000 0.423 362 L N 5.812 126.794 121.223 -0.403 0.000 2.319 362 L HA 0.652 4.990 4.340 -0.004 0.000 0.281 362 L C -0.042 176.723 176.870 -0.175 0.000 1.005 362 L CA -0.547 54.167 54.840 -0.210 0.000 0.828 362 L CB 0.853 42.834 42.059 -0.130 0.000 1.227 362 L HN 0.801 nan 8.230 nan 0.000 0.415 363 A N 3.306 126.056 122.820 -0.116 0.000 2.256 363 A HA 0.842 5.160 4.320 -0.004 0.000 0.317 363 A C -0.026 177.543 177.584 -0.024 0.000 1.318 363 A CA -0.355 51.646 52.037 -0.061 0.000 0.894 363 A CB 0.897 19.877 19.000 -0.034 0.000 1.165 363 A HN 0.781 nan 8.150 nan 0.000 0.525 364 A N 3.698 126.511 122.820 -0.012 0.000 2.365 364 A HA 0.835 5.153 4.320 -0.004 0.000 0.318 364 A C -0.326 177.264 177.584 0.010 0.000 1.091 364 A CA -0.652 51.387 52.037 0.002 0.000 0.763 364 A CB 0.999 19.995 19.000 -0.005 0.000 1.248 364 A HN 1.135 nan 8.150 nan 0.000 0.442 365 N N 1.516 120.231 118.700 0.026 0.000 3.204 365 N HA 0.444 5.182 4.740 -0.004 0.000 0.285 365 N C -2.750 172.754 175.510 -0.010 0.000 1.536 365 N CA -1.433 51.628 53.050 0.018 0.000 0.832 365 N CB 0.402 38.921 38.487 0.053 0.000 1.645 365 N HN 0.065 nan 8.380 nan 0.000 0.586 366 P HA -0.028 nan 4.420 nan 0.000 0.216 366 P C 0.992 178.134 177.300 -0.263 0.000 1.154 366 P CA 1.630 64.582 63.100 -0.247 0.000 0.865 366 P CB -0.102 31.338 31.700 -0.433 0.000 0.789 367 F N -1.553 118.381 119.950 -0.026 0.000 2.293 367 F HA 0.100 4.625 4.527 -0.004 0.000 0.300 367 F C 1.877 177.671 175.800 -0.009 0.000 1.086 367 F CA 1.470 59.462 58.000 -0.012 0.000 1.375 367 F CB -0.820 38.176 39.000 -0.007 0.000 1.045 367 F HN 0.037 nan 8.300 nan 0.000 0.516 368 G N -0.945 107.940 108.800 0.141 0.000 2.366 368 G HA2 0.208 4.165 3.960 -0.004 0.000 0.190 368 G HA3 0.208 4.165 3.960 -0.004 0.000 0.190 368 G C -1.664 173.272 174.900 0.059 0.000 1.299 368 G CA -0.486 44.661 45.100 0.078 0.000 1.056 368 G HN 0.171 nan 8.290 nan 0.000 0.468 369 Q N -0.130 119.694 119.800 0.040 0.000 2.345 369 Q HA 0.687 5.024 4.340 -0.004 0.000 0.275 369 Q C -1.010 174.996 176.000 0.009 0.000 1.063 369 Q CA -0.396 55.417 55.803 0.018 0.000 0.819 369 Q CB 2.074 30.812 28.738 -0.000 0.000 1.356 369 Q HN 1.640 nan 8.270 nan 0.000 0.418 370 A N 1.871 124.689 122.820 -0.003 0.000 2.325 370 A HA 0.803 5.121 4.320 -0.004 0.000 0.333 370 A C -0.931 176.629 177.584 -0.039 0.000 1.155 370 A CA -0.358 51.674 52.037 -0.009 0.000 0.814 370 A CB 1.959 20.962 19.000 0.004 0.000 1.206 370 A HN 0.631 nan 8.150 nan 0.000 0.482 371 S N -0.189 115.487 115.700 -0.040 0.000 2.549 371 S HA 0.822 5.289 4.470 -0.004 0.000 0.280 371 S C -0.934 173.633 174.600 -0.055 0.000 1.109 371 S CA 0.166 58.327 58.200 -0.066 0.000 0.905 371 S CB 1.646 64.815 63.200 -0.053 0.000 1.081 371 S HN 2.266 nan 8.310 nan 0.000 0.477 372 A N 2.297 125.069 122.820 -0.079 0.000 2.517 372 A HA 0.802 5.120 4.320 -0.004 0.000 0.297 372 A C -0.825 176.740 177.584 -0.032 0.000 1.050 372 A CA -0.629 51.381 52.037 -0.045 0.000 0.694 372 A CB 1.679 20.658 19.000 -0.036 0.000 1.277 372 A HN 0.864 nan 8.150 nan 0.000 0.400 373 S N 0.427 116.137 115.700 0.018 0.000 2.599 373 S HA 0.873 5.340 4.470 -0.004 0.000 0.294 373 S C -0.940 173.726 174.600 0.109 0.000 1.094 373 S CA -0.508 57.734 58.200 0.071 0.000 0.931 373 S CB 1.718 64.949 63.200 0.052 0.000 1.093 373 S HN 1.335 nan 8.310 nan 0.000 0.488 374 I N 1.275 121.954 120.570 0.183 0.000 2.787 374 I HA 0.449 4.616 4.170 -0.004 0.000 0.294 374 I C -1.715 174.537 176.117 0.224 0.000 1.365 374 I CA -0.849 60.560 61.300 0.182 0.000 1.029 374 I CB 1.813 39.932 38.000 0.199 0.000 1.313 374 I HN 0.570 nan 8.210 nan 0.000 0.431 375 M N 5.846 125.535 119.600 0.148 0.000 2.180 375 M HA 0.682 5.160 4.480 -0.004 0.000 0.358 375 M C -0.316 176.027 176.300 0.072 0.000 1.233 375 M CA -0.382 54.994 55.300 0.126 0.000 1.114 375 M CB 0.804 33.439 32.600 0.059 0.000 1.594 375 M HN 0.750 nan 8.290 nan 0.000 0.467 376 A N 2.849 125.675 122.820 0.011 0.000 2.359 376 A HA 0.864 5.182 4.320 -0.004 0.000 0.303 376 A C -0.843 176.318 177.584 -0.704 0.000 1.066 376 A CA -0.668 51.169 52.037 -0.332 0.000 0.730 376 A CB 1.173 19.912 19.000 -0.435 0.000 1.211 376 A HN 0.856 nan 8.150 nan 0.000 0.439 377 A N 1.549 123.958 122.820 -0.686 0.000 2.304 377 A HA 0.747 5.064 4.320 -0.004 0.000 0.314 377 A C -0.523 176.584 177.584 -0.795 0.000 1.187 377 A CA -0.415 51.264 52.037 -0.597 0.000 0.810 377 A CB 0.099 18.966 19.000 -0.222 0.000 1.183 377 A HN 0.807 nan 8.150 nan 0.000 0.487 378 F N 0.731 120.442 119.950 -0.397 0.000 2.717 378 F HA 0.500 5.025 4.527 -0.004 0.000 0.297 378 F C 0.467 176.101 175.800 -0.277 0.000 1.113 378 F CA 0.158 57.726 58.000 -0.719 0.000 1.319 378 F CB 0.366 38.808 39.000 -0.931 0.000 1.097 378 F HN 0.508 nan 8.300 nan 0.000 0.595 379 M N -0.156 119.449 119.600 0.008 0.000 2.484 379 M HA 0.183 4.661 4.480 -0.004 0.000 0.292 379 M C -1.979 174.356 176.300 0.059 0.000 1.123 379 M CA -0.590 54.750 55.300 0.066 0.000 0.910 379 M CB 1.528 34.187 32.600 0.099 0.000 1.782 379 M HN -0.251 nan 8.290 nan 0.000 0.512 380 D N 3.616 124.034 120.400 0.031 0.000 2.372 380 D HA 0.209 4.846 4.640 -0.004 0.000 0.243 380 D C -0.507 175.761 176.300 -0.053 0.000 1.121 380 D CA 0.193 54.195 54.000 0.003 0.000 0.898 380 D CB 0.708 41.504 40.800 -0.006 0.000 1.202 380 D HN 0.580 nan 8.370 nan 0.000 0.428 381 N N 1.755 120.404 118.700 -0.084 0.000 2.463 381 N HA 0.366 5.104 4.740 -0.004 0.000 0.270 381 N C -2.170 173.204 175.510 -0.227 0.000 1.205 381 N CA -0.853 52.018 53.050 -0.298 0.000 0.974 381 N CB -0.521 37.884 38.487 -0.136 0.000 1.197 381 N HN 0.101 nan 8.380 nan 0.000 0.504 382 P HA 0.000 nan 4.420 nan 0.000 0.216 382 P CA 0.000 63.008 63.100 -0.153 0.000 0.800 382 P CB 0.000 31.610 31.700 -0.150 0.000 0.726