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 2o3o_1_I DATA FIRST_RESID 34 DATA SEQUENCE KEYEVIKNDV EHDXKADHIT YEGLNKEATE GYRITANQKS FSKEEIEALK DATA SEQUENCE DQKPLXDXPS DDHKVTSLKX KFANPIALSK KDIEDDAQAL VSSKIQDGEK DATA SEQUENCE YKLWKVDKSK KEIIFFQTYE GHYIYQKTDN PSNXIGQVVL HLNGKNEVVS DATA SEQUENCE YDQTTLETFK QIQKESLITE XDAVELLYYQ NQLKEYSTVK SCKFGYVAQY DATA SEQUENCE PLTSTQVLAP VWRITVEYEK KVNGEKKTVQ EYFTVNALES TILD 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 34 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.511 176.600 -0.149 0.000 0.988 34 K CA 0.000 56.160 56.287 -0.211 0.000 0.838 34 K CB 0.000 32.273 32.500 -0.378 0.000 1.064 35 E N -1.502 118.606 120.200 -0.153 0.000 2.640 35 E HA 0.097 4.446 4.350 -0.002 0.000 0.197 35 E C 1.012 177.615 176.600 0.004 0.000 0.925 35 E CA 1.171 57.540 56.400 -0.052 0.000 1.604 35 E CB 0.060 29.762 29.700 0.003 0.000 1.769 35 E HN 0.880 nan 8.360 nan 0.000 0.965 36 Y N -0.110 120.174 120.300 -0.027 0.000 2.578 36 Y HA 0.394 4.943 4.550 -0.002 0.000 0.297 36 Y C 1.466 177.346 175.900 -0.033 0.000 1.176 36 Y CA 0.512 58.592 58.100 -0.033 0.000 1.315 36 Y CB -0.141 38.296 38.460 -0.039 0.000 1.031 36 Y HN -0.052 nan 8.280 nan 0.000 0.524 37 E N 1.071 121.164 120.200 -0.179 0.000 2.021 37 E HA -0.089 4.260 4.350 -0.002 0.000 0.189 37 E C 2.240 178.807 176.600 -0.056 0.000 0.980 37 E CA 1.419 57.746 56.400 -0.122 0.000 0.803 37 E CB -0.593 29.007 29.700 -0.166 0.000 0.766 37 E HN 0.264 nan 8.360 nan 0.000 0.449 38 V N 1.385 121.263 119.914 -0.060 0.000 2.313 38 V HA -0.304 3.815 4.120 -0.002 0.000 0.253 38 V C 2.161 178.238 176.094 -0.029 0.000 1.070 38 V CA 1.629 63.899 62.300 -0.050 0.000 1.057 38 V CB -0.486 31.314 31.823 -0.038 0.000 0.653 38 V HN 0.326 nan 8.190 nan 0.000 0.450 39 I N -1.044 119.532 120.570 0.010 0.000 2.480 39 I HA -0.074 4.095 4.170 -0.002 0.000 0.251 39 I C 2.376 178.515 176.117 0.037 0.000 1.124 39 I CA 1.251 62.570 61.300 0.031 0.000 1.444 39 I CB -0.914 37.114 38.000 0.047 0.000 1.098 39 I HN 0.346 nan 8.210 nan 0.000 0.428 40 K N 1.371 121.799 120.400 0.047 0.000 2.103 40 K HA -0.127 4.192 4.320 -0.002 0.000 0.204 40 K C 1.575 178.196 176.600 0.035 0.000 1.052 40 K CA 1.374 57.689 56.287 0.046 0.000 0.945 40 K CB -0.156 32.389 32.500 0.074 0.000 0.722 40 K HN 0.382 nan 8.250 nan 0.000 0.443 41 N N 0.571 119.276 118.700 0.009 0.000 2.467 41 N HA -0.105 4.634 4.740 -0.002 0.000 0.184 41 N C 0.851 176.314 175.510 -0.079 0.000 1.106 41 N CA 0.912 53.961 53.050 -0.002 0.000 0.892 41 N CB 0.005 38.474 38.487 -0.031 0.000 0.969 41 N HN 0.001 nan 8.380 nan 0.000 0.454 42 D N 0.514 120.883 120.400 -0.051 0.000 2.084 42 D HA -0.038 4.601 4.640 -0.002 0.000 0.196 42 D C 1.900 178.246 176.300 0.078 0.000 0.985 42 D CA 0.823 54.809 54.000 -0.023 0.000 0.826 42 D CB -0.139 40.667 40.800 0.010 0.000 0.978 42 D HN 0.066 nan 8.370 nan 0.000 0.456 43 V N 0.606 120.583 119.914 0.105 0.000 2.407 43 V HA -0.209 3.910 4.120 -0.002 0.000 0.248 43 V C 2.285 178.433 176.094 0.091 0.000 1.055 43 V CA 1.537 63.937 62.300 0.166 0.000 1.049 43 V CB -0.351 31.574 31.823 0.171 0.000 0.662 43 V HN 0.139 nan 8.190 nan 0.000 0.455 44 E N -0.724 119.531 120.200 0.092 0.000 2.051 44 E HA -0.221 4.128 4.350 -0.002 0.000 0.192 44 E C 2.213 178.870 176.600 0.095 0.000 0.991 44 E CA 1.546 58.002 56.400 0.093 0.000 0.799 44 E CB -0.125 29.671 29.700 0.160 0.000 0.748 44 E HN 0.705 nan 8.360 nan 0.000 0.449 45 H N 0.631 119.680 119.070 -0.035 0.000 2.326 45 H HA -0.022 4.533 4.556 -0.002 0.000 0.301 45 H C 0.447 175.732 175.328 -0.071 0.000 1.081 45 H CA 1.231 57.249 56.048 -0.050 0.000 1.334 45 H CB -0.385 29.362 29.762 -0.025 0.000 1.385 45 H HN 0.109 nan 8.280 nan 0.000 0.504 49 A N 0.883 123.519 122.820 -0.308 0.000 1.969 49 A HA -0.076 4.243 4.320 -0.002 0.000 0.218 49 A C 0.937 178.309 177.584 -0.354 0.000 1.169 49 A CA 1.902 53.764 52.037 -0.292 0.000 0.635 49 A CB -0.193 18.747 19.000 -0.101 0.000 0.810 49 A HN 0.228 nan 8.150 nan 0.000 0.445 50 D N -0.662 119.577 120.400 -0.269 0.000 2.342 50 D HA 0.081 4.720 4.640 -0.002 0.000 0.221 50 D C -0.486 175.666 176.300 -0.247 0.000 1.101 50 D CA 0.021 53.934 54.000 -0.144 0.000 0.837 50 D CB -0.341 40.473 40.800 0.024 0.000 0.938 50 D HN 0.566 nan 8.370 nan 0.000 0.508 51 H N -0.126 118.733 119.070 -0.352 0.000 2.677 51 H HA -0.179 4.376 4.556 -0.002 0.000 0.321 51 H C 0.168 175.325 175.328 -0.286 0.000 1.171 51 H CA 0.389 56.188 56.048 -0.415 0.000 1.139 51 H CB -2.059 27.197 29.762 -0.844 0.000 1.515 51 H HN 0.320 nan 8.280 nan 0.000 0.423 52 I N 1.541 122.019 120.570 -0.153 0.000 2.365 52 I HA 0.122 4.291 4.170 -0.002 0.000 0.291 52 I C 0.699 176.769 176.117 -0.079 0.000 1.004 52 I CA 0.131 61.387 61.300 -0.073 0.000 1.311 52 I CB 1.495 39.441 38.000 -0.090 0.000 1.401 52 I HN 0.063 nan 8.210 nan 0.000 0.491 53 T N 6.283 120.815 114.554 -0.037 0.000 2.786 53 T HA 0.542 4.891 4.350 -0.002 0.000 0.283 53 T C -0.939 173.742 174.700 -0.032 0.000 0.992 53 T CA -0.456 61.572 62.100 -0.121 0.000 0.954 53 T CB 0.728 69.558 68.868 -0.064 0.000 0.934 53 T HN 0.412 nan 8.240 nan 0.000 0.440 54 Y N 0.044 120.315 120.300 -0.049 0.000 2.545 54 Y HA 0.852 5.401 4.550 -0.002 0.000 0.348 54 Y C -0.609 175.270 175.900 -0.035 0.000 1.002 54 Y CA -1.409 56.666 58.100 -0.041 0.000 1.039 54 Y CB 1.525 39.948 38.460 -0.061 0.000 1.271 54 Y HN 0.441 nan 8.280 nan 0.000 0.467 55 E N 0.494 120.783 120.200 0.148 0.000 2.308 55 E HA 0.459 4.808 4.350 -0.002 0.000 0.275 55 E C -0.317 176.343 176.600 0.100 0.000 0.890 55 E CA -0.804 55.641 56.400 0.074 0.000 0.754 55 E CB 1.951 31.664 29.700 0.021 0.000 1.207 55 E HN 1.192 nan 8.360 nan 0.000 0.426 56 G N 2.818 111.667 108.800 0.082 0.000 2.305 56 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.287 56 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.287 56 G C 0.018 174.944 174.900 0.043 0.000 1.036 56 G CA 0.289 45.422 45.100 0.055 0.000 0.887 56 G HN 0.349 nan 8.290 nan 0.000 0.505 57 L N -0.103 121.148 121.223 0.046 0.000 2.371 57 L HA 0.271 4.610 4.340 -0.002 0.000 0.272 57 L C 0.872 177.705 176.870 -0.063 0.000 1.124 57 L CA -0.973 53.840 54.840 -0.045 0.000 0.816 57 L CB 0.803 42.788 42.059 -0.124 0.000 1.129 57 L HN 0.213 nan 8.230 nan 0.000 0.448 58 N N 2.367 121.007 118.700 -0.100 0.000 2.497 58 N HA 0.034 4.773 4.740 -0.002 0.000 0.268 58 N C 0.143 175.592 175.510 -0.102 0.000 1.171 58 N CA 0.337 53.341 53.050 -0.077 0.000 0.948 58 N CB 0.939 39.392 38.487 -0.057 0.000 1.069 58 N HN 0.478 nan 8.380 nan 0.000 0.460 59 K N 1.267 121.632 120.400 -0.059 0.000 2.358 59 K HA 0.152 4.471 4.320 -0.002 0.000 0.197 59 K C -0.490 176.091 176.600 -0.032 0.000 1.025 59 K CA 0.014 56.268 56.287 -0.055 0.000 1.104 59 K CB 0.522 33.003 32.500 -0.031 0.000 0.855 59 K HN 0.524 nan 8.250 nan 0.000 0.531 60 E N 1.001 121.187 120.200 -0.023 0.000 2.175 60 E HA 0.269 4.618 4.350 -0.002 0.000 0.278 60 E C -0.579 176.024 176.600 0.005 0.000 0.969 60 E CA -0.397 56.000 56.400 -0.005 0.000 0.796 60 E CB 1.690 31.390 29.700 0.000 0.000 1.104 60 E HN 0.131 nan 8.360 nan 0.000 0.395 61 A N 2.716 125.543 122.820 0.011 0.000 2.483 61 A HA 0.374 4.693 4.320 -0.002 0.000 0.238 61 A C 0.495 178.089 177.584 0.017 0.000 1.070 61 A CA 0.076 52.127 52.037 0.024 0.000 0.770 61 A CB 0.019 19.029 19.000 0.016 0.000 1.008 61 A HN 0.643 nan 8.150 nan 0.000 0.497 62 T N -0.292 114.274 114.554 0.019 0.000 2.906 62 T HA 0.633 4.982 4.350 -0.002 0.000 0.295 62 T C -0.779 173.881 174.700 -0.066 0.000 1.075 62 T CA -0.903 61.180 62.100 -0.028 0.000 1.005 62 T CB 1.558 70.400 68.868 -0.044 0.000 1.136 62 T HN 0.586 nan 8.240 nan 0.000 0.498 63 E N 0.311 120.448 120.200 -0.105 0.000 2.216 63 E HA 0.606 4.955 4.350 -0.002 0.000 0.279 63 E C 0.045 176.479 176.600 -0.277 0.000 0.997 63 E CA -0.571 55.754 56.400 -0.125 0.000 0.817 63 E CB 1.891 31.549 29.700 -0.069 0.000 1.096 63 E HN 0.940 nan 8.360 nan 0.000 0.393 64 G N 1.547 110.162 108.800 -0.309 0.000 2.975 64 G HA2 0.651 4.610 3.960 -0.002 0.000 0.291 64 G HA3 0.651 4.610 3.960 -0.002 0.000 0.291 64 G C -1.704 172.909 174.900 -0.478 0.000 1.334 64 G CA -0.572 44.172 45.100 -0.594 0.000 0.843 64 G HN 0.424 nan 8.290 nan 0.000 0.548 65 Y N -1.974 118.429 120.300 0.171 0.000 2.604 65 Y HA 0.693 5.242 4.550 -0.002 0.000 0.331 65 Y C -0.245 175.771 175.900 0.193 0.000 1.158 65 Y CA -1.776 56.417 58.100 0.155 0.000 1.056 65 Y CB 0.756 39.299 38.460 0.138 0.000 1.330 65 Y HN 0.545 nan 8.280 nan 0.000 0.457 66 R N 2.477 123.165 120.500 0.313 0.000 2.539 66 R HA 0.717 5.056 4.340 -0.002 0.000 0.275 66 R C -0.486 175.884 176.300 0.116 0.000 1.077 66 R CA -0.508 55.711 56.100 0.198 0.000 1.097 66 R CB 0.939 31.304 30.300 0.108 0.000 1.018 66 R HN 0.900 nan 8.270 nan 0.000 0.483 67 I N -1.974 118.594 120.570 -0.003 0.000 2.865 67 I HA 0.524 4.693 4.170 -0.002 0.000 0.302 67 I C -0.356 175.663 176.117 -0.163 0.000 1.140 67 I CA -0.860 60.360 61.300 -0.133 0.000 1.021 67 I CB 2.515 40.316 38.000 -0.332 0.000 1.233 67 I HN 0.574 nan 8.210 nan 0.000 0.427 68 T N 1.520 115.968 114.554 -0.177 0.000 2.950 68 T HA 0.941 5.290 4.350 -0.002 0.000 0.288 68 T C -0.347 174.156 174.700 -0.330 0.000 1.035 68 T CA -0.515 61.454 62.100 -0.217 0.000 1.028 68 T CB 1.908 70.673 68.868 -0.173 0.000 1.109 68 T HN 1.378 nan 8.240 nan 0.000 0.514 69 A N 1.547 124.130 122.820 -0.394 0.000 2.608 69 A HA 0.683 5.002 4.320 -0.002 0.000 0.292 69 A C -1.143 176.207 177.584 -0.390 0.000 1.066 69 A CA -1.127 50.572 52.037 -0.564 0.000 0.676 69 A CB 1.114 19.449 19.000 -1.110 0.000 1.277 69 A HN 0.796 nan 8.150 nan 0.000 0.413 70 N N 0.898 119.384 118.700 -0.356 0.000 2.508 70 N HA 0.434 5.173 4.740 -0.002 0.000 0.285 70 N C -0.469 174.900 175.510 -0.234 0.000 1.144 70 N CA -0.274 52.629 53.050 -0.245 0.000 0.978 70 N CB 1.159 39.527 38.487 -0.199 0.000 1.180 70 N HN 0.696 nan 8.380 nan 0.000 0.484 71 Q N 0.976 120.677 119.800 -0.165 0.000 2.295 71 Q HA 0.097 4.436 4.340 -0.002 0.000 0.259 71 Q C -0.551 175.372 176.000 -0.129 0.000 0.976 71 Q CA -0.225 55.506 55.803 -0.120 0.000 0.923 71 Q CB 0.554 29.248 28.738 -0.072 0.000 1.185 71 Q HN 0.350 nan 8.270 nan 0.000 0.410 72 K N 2.485 122.795 120.400 -0.150 0.000 2.416 72 K HA 0.135 4.454 4.320 -0.002 0.000 0.283 72 K C -0.657 175.760 176.600 -0.306 0.000 1.037 72 K CA 0.038 56.158 56.287 -0.278 0.000 0.995 72 K CB 0.505 32.759 32.500 -0.411 0.000 0.938 72 K HN 0.550 nan 8.250 nan 0.000 0.475 73 S N 4.483 120.025 115.700 -0.263 0.000 2.475 73 S HA 0.313 4.782 4.470 -0.002 0.000 0.281 73 S C -0.848 173.611 174.600 -0.236 0.000 1.198 73 S CA -0.733 57.371 58.200 -0.160 0.000 1.063 73 S CB 0.070 63.210 63.200 -0.101 0.000 0.972 73 S HN 0.443 nan 8.310 nan 0.000 0.486 74 F N 3.994 123.926 119.950 -0.032 0.000 2.421 74 F HA 0.284 4.811 4.527 -0.000 0.000 0.358 74 F C 1.242 177.030 175.800 -0.021 0.000 1.115 74 F CA -0.348 57.642 58.000 -0.017 0.000 1.160 74 F CB 0.995 39.989 39.000 -0.010 0.000 1.123 74 F HN 0.585 nan 8.300 nan 0.000 0.508 75 S N 2.812 118.578 115.700 0.110 0.000 2.632 75 S HA 0.253 4.722 4.470 -0.002 0.000 0.271 75 S C 1.209 175.857 174.600 0.081 0.000 1.260 75 S CA -0.889 57.349 58.200 0.064 0.000 1.010 75 S CB 1.571 64.785 63.200 0.024 0.000 0.965 75 S HN 0.785 nan 8.310 nan 0.000 0.534 76 K N 1.092 121.523 120.400 0.053 0.000 2.063 76 K HA -0.188 4.131 4.320 -0.002 0.000 0.208 76 K C 1.991 178.618 176.600 0.044 0.000 1.048 76 K CA 1.876 58.189 56.287 0.044 0.000 0.928 76 K CB -0.291 32.227 32.500 0.030 0.000 0.713 76 K HN 0.803 nan 8.250 nan 0.000 0.442 77 E N 0.421 120.644 120.200 0.039 0.000 2.035 77 E HA -0.266 4.083 4.350 -0.002 0.000 0.204 77 E C 1.996 178.628 176.600 0.052 0.000 1.025 77 E CA 2.060 58.482 56.400 0.037 0.000 0.835 77 E CB -0.094 29.624 29.700 0.029 0.000 0.764 77 E HN 0.412 nan 8.360 nan 0.000 0.457 78 E N 0.205 120.449 120.200 0.073 0.000 2.097 78 E HA -0.211 4.138 4.350 -0.002 0.000 0.196 78 E C 2.167 178.833 176.600 0.110 0.000 1.000 78 E CA 1.147 57.612 56.400 0.108 0.000 0.804 78 E CB -0.148 29.650 29.700 0.163 0.000 0.740 78 E HN 0.319 nan 8.360 nan 0.000 0.454 79 I N 1.316 121.943 120.570 0.095 0.000 2.286 79 I HA -0.227 3.942 4.170 -0.002 0.000 0.245 79 I C 2.465 178.595 176.117 0.022 0.000 1.104 79 I CA 1.211 62.540 61.300 0.048 0.000 1.397 79 I CB -0.320 37.693 38.000 0.023 0.000 1.072 79 I HN 0.164 nan 8.210 nan 0.000 0.417 80 E N 1.595 121.811 120.200 0.027 0.000 2.478 80 E HA 0.017 4.366 4.350 -0.002 0.000 0.194 80 E C 1.962 178.580 176.600 0.029 0.000 1.045 80 E CA 0.718 57.130 56.400 0.019 0.000 0.868 80 E CB -0.025 29.684 29.700 0.015 0.000 0.885 80 E HN 0.393 nan 8.360 nan 0.000 0.505 81 A N 1.634 124.478 122.820 0.041 0.000 2.067 81 A HA 0.020 4.339 4.320 -0.002 0.000 0.219 81 A C 1.317 178.932 177.584 0.052 0.000 1.158 81 A CA 0.341 52.406 52.037 0.045 0.000 0.661 81 A CB -0.491 18.541 19.000 0.053 0.000 0.801 81 A HN 0.236 nan 8.150 nan 0.000 0.452 82 L N 0.829 122.086 121.223 0.055 0.000 2.369 82 L HA 0.186 4.525 4.340 -0.002 0.000 0.279 82 L C 0.342 177.253 176.870 0.067 0.000 1.108 82 L CA -0.430 54.452 54.840 0.070 0.000 0.852 82 L CB 0.514 42.616 42.059 0.071 0.000 1.169 82 L HN 0.134 nan 8.230 nan 0.000 0.452 83 K N 3.324 123.772 120.400 0.080 0.000 2.350 83 K HA 0.032 4.351 4.320 -0.002 0.000 0.279 83 K C 0.135 176.797 176.600 0.104 0.000 1.027 83 K CA -0.055 56.277 56.287 0.075 0.000 0.969 83 K CB 0.390 32.928 32.500 0.064 0.000 0.954 83 K HN 0.512 nan 8.250 nan 0.000 0.474 84 D N 2.909 123.361 120.400 0.085 0.000 2.701 84 D HA -0.210 4.429 4.640 -0.002 0.000 0.235 84 D C -0.993 175.394 176.300 0.145 0.000 1.155 84 D CA 1.158 55.220 54.000 0.104 0.000 0.649 84 D CB -0.552 40.313 40.800 0.109 0.000 1.050 84 D HN 0.615 nan 8.370 nan 0.000 0.425 85 Q N -0.581 119.267 119.800 0.079 0.000 2.315 85 Q HA 0.470 4.809 4.340 -0.002 0.000 0.273 85 Q C -0.424 175.547 176.000 -0.048 0.000 1.053 85 Q CA -0.908 54.897 55.803 0.003 0.000 0.817 85 Q CB 2.524 31.249 28.738 -0.022 0.000 1.326 85 Q HN -0.181 nan 8.270 nan 0.000 0.423 86 K N 2.161 122.503 120.400 -0.097 0.000 2.371 86 K HA 0.554 4.873 4.320 -0.002 0.000 0.251 86 K C -2.594 173.919 176.600 -0.145 0.000 0.934 86 K CA -2.126 54.107 56.287 -0.091 0.000 0.798 86 K CB 1.781 34.246 32.500 -0.058 0.000 1.204 86 K HN 0.418 nan 8.250 nan 0.000 0.427 87 P HA 0.298 nan 4.420 nan 0.000 0.275 87 P C -0.406 176.816 177.300 -0.130 0.000 1.227 87 P CA -0.320 62.690 63.100 -0.150 0.000 0.781 87 P CB 0.884 32.519 31.700 -0.108 0.000 0.906 93 S N -1.034 114.705 115.700 0.065 0.000 2.755 93 S HA 0.406 4.875 4.470 -0.002 0.000 0.286 93 S C 0.006 174.630 174.600 0.040 0.000 1.207 93 S CA -0.372 57.861 58.200 0.055 0.000 0.892 93 S CB 1.069 64.312 63.200 0.072 0.000 1.240 93 S HN 0.302 nan 8.310 nan 0.000 0.525 94 D N 1.149 121.569 120.400 0.034 0.000 2.097 94 D HA -0.004 4.635 4.640 -0.002 0.000 0.195 94 D C 0.952 177.269 176.300 0.027 0.000 0.989 94 D CA 1.775 55.788 54.000 0.023 0.000 0.827 94 D CB -0.414 40.397 40.800 0.018 0.000 0.966 94 D HN 0.545 nan 8.370 nan 0.000 0.456 95 D N -1.117 119.311 120.400 0.047 0.000 2.201 95 D HA -0.044 4.595 4.640 -0.002 0.000 0.209 95 D C 0.577 176.932 176.300 0.091 0.000 0.961 95 D CA 0.549 54.583 54.000 0.056 0.000 0.861 95 D CB -0.264 40.570 40.800 0.056 0.000 0.997 95 D HN 0.211 nan 8.370 nan 0.000 0.486 96 H N 1.119 120.191 119.070 0.003 0.000 2.761 96 H HA 0.307 4.862 4.556 -0.001 0.000 0.284 96 H C -0.427 174.908 175.328 0.012 0.000 1.105 96 H CA -0.362 55.689 56.048 0.006 0.000 1.352 96 H CB 0.099 29.863 29.762 0.003 0.000 1.423 96 H HN -0.316 nan 8.280 nan 0.000 0.464 97 K N 2.558 122.764 120.400 -0.324 0.000 2.126 97 K HA 0.391 4.710 4.320 -0.002 0.000 0.257 97 K C -0.827 175.473 176.600 -0.499 0.000 1.007 97 K CA -0.566 55.550 56.287 -0.286 0.000 0.928 97 K CB 1.258 33.666 32.500 -0.153 0.000 1.013 97 K HN 0.328 nan 8.250 nan 0.000 0.473 98 V N 2.446 122.236 119.914 -0.207 0.000 2.349 98 V HA 0.152 4.271 4.120 -0.002 0.000 0.284 98 V C 0.515 176.677 176.094 0.114 0.000 1.014 98 V CA -0.485 61.762 62.300 -0.088 0.000 0.826 98 V CB 1.068 32.900 31.823 0.016 0.000 1.009 98 V HN 1.063 nan 8.190 nan 0.000 0.431 99 T N -0.683 113.924 114.554 0.090 0.000 3.023 99 T HA 0.185 4.534 4.350 -0.002 0.000 0.253 99 T C 0.672 175.514 174.700 0.236 0.000 1.038 99 T CA 0.064 62.279 62.100 0.191 0.000 0.962 99 T CB 0.473 69.384 68.868 0.072 0.000 1.018 99 T HN 0.430 nan 8.240 nan 0.000 0.521 100 S N 1.064 116.822 115.700 0.097 0.000 2.746 100 S HA 0.587 5.056 4.470 -0.002 0.000 0.273 100 S C -0.447 174.078 174.600 -0.124 0.000 1.172 100 S CA -0.809 57.401 58.200 0.017 0.000 1.116 100 S CB 0.168 63.390 63.200 0.037 0.000 1.057 100 S HN 0.402 nan 8.310 nan 0.000 0.483 101 L N 3.820 124.858 121.223 -0.309 0.000 2.453 101 L HA 0.568 4.907 4.340 -0.002 0.000 0.261 101 L C 0.309 177.005 176.870 -0.290 0.000 1.179 101 L CA -0.197 54.391 54.840 -0.421 0.000 0.813 101 L CB 1.056 42.718 42.059 -0.662 0.000 1.110 101 L HN 0.579 nan 8.230 nan 0.000 0.466 105 F N 2.811 122.775 119.950 0.024 0.000 2.427 105 F HA 0.232 4.757 4.527 -0.003 0.000 0.352 105 F C 1.672 177.484 175.800 0.019 0.000 1.100 105 F CA 0.306 58.329 58.000 0.039 0.000 1.191 105 F CB 1.444 40.479 39.000 0.059 0.000 1.128 105 F HN 0.827 nan 8.300 nan 0.000 0.533 106 A N 3.363 126.307 122.820 0.207 0.000 1.903 106 A HA -0.196 4.123 4.320 -0.002 0.000 0.219 106 A C 0.768 178.416 177.584 0.106 0.000 1.191 106 A CA 1.510 53.616 52.037 0.115 0.000 0.638 106 A CB -0.399 18.654 19.000 0.090 0.000 0.823 106 A HN 0.728 nan 8.150 nan 0.000 0.451 107 N N 0.087 118.857 118.700 0.117 0.000 2.399 107 N HA 0.369 5.108 4.740 -0.002 0.000 0.284 107 N C -3.166 172.386 175.510 0.070 0.000 1.025 107 N CA -1.250 51.844 53.050 0.074 0.000 0.885 107 N CB 1.623 40.130 38.487 0.033 0.000 1.339 107 N HN 0.120 nan 8.380 nan 0.000 0.487 108 P HA 0.144 nan 4.420 nan 0.000 0.266 108 P C -0.131 177.142 177.300 -0.046 0.000 1.195 108 P CA 0.132 63.274 63.100 0.069 0.000 0.768 108 P CB 1.055 32.804 31.700 0.081 0.000 0.838 109 I N 1.884 122.366 120.570 -0.148 0.000 2.325 109 I HA 0.227 4.396 4.170 -0.002 0.000 0.291 109 I C 0.877 176.928 176.117 -0.110 0.000 1.019 109 I CA -0.758 60.412 61.300 -0.217 0.000 1.302 109 I CB 1.047 38.775 38.000 -0.453 0.000 1.401 109 I HN 0.344 nan 8.210 nan 0.000 0.485 110 A N 8.337 131.110 122.820 -0.078 0.000 2.515 110 A HA 0.349 4.668 4.320 -0.002 0.000 0.263 110 A C -0.150 177.410 177.584 -0.040 0.000 1.096 110 A CA 0.049 52.060 52.037 -0.043 0.000 0.769 110 A CB -0.173 18.806 19.000 -0.034 0.000 1.040 110 A HN 0.683 nan 8.150 nan 0.000 0.505 111 L N 2.430 123.641 121.223 -0.021 0.000 2.343 111 L HA 0.357 4.696 4.340 -0.002 0.000 0.275 111 L C 1.080 177.946 176.870 -0.006 0.000 1.056 111 L CA -0.409 54.424 54.840 -0.011 0.000 0.804 111 L CB 1.697 43.758 42.059 0.005 0.000 1.203 111 L HN 0.745 nan 8.230 nan 0.000 0.440 112 S N 0.466 116.163 115.700 -0.004 0.000 2.624 112 S HA 0.181 4.650 4.470 -0.002 0.000 0.263 112 S C 0.869 175.469 174.600 0.000 0.000 1.287 112 S CA -0.423 57.775 58.200 -0.003 0.000 0.990 112 S CB 0.892 64.090 63.200 -0.003 0.000 0.950 112 S HN 0.612 nan 8.310 nan 0.000 0.561 113 K N 1.664 122.064 120.400 -0.001 0.000 2.054 113 K HA 0.153 4.472 4.320 -0.002 0.000 0.207 113 K C 1.800 178.398 176.600 -0.002 0.000 1.031 113 K CA 0.440 56.727 56.287 -0.000 0.000 0.952 113 K CB -0.245 32.254 32.500 -0.001 0.000 0.775 113 K HN 0.414 nan 8.250 nan 0.000 0.447 114 K N 0.761 121.159 120.400 -0.003 0.000 2.243 114 K HA -0.045 4.274 4.320 -0.002 0.000 0.201 114 K C 0.713 177.310 176.600 -0.004 0.000 1.051 114 K CA 0.812 57.096 56.287 -0.004 0.000 0.970 114 K CB 0.144 32.642 32.500 -0.004 0.000 0.755 114 K HN 0.052 nan 8.250 nan 0.000 0.465 115 D N 0.927 121.326 120.400 -0.002 0.000 2.561 115 D HA 0.089 4.728 4.640 -0.002 0.000 0.232 115 D C 0.929 177.230 176.300 0.003 0.000 1.198 115 D CA -0.104 53.896 54.000 -0.000 0.000 0.826 115 D CB -0.054 40.747 40.800 0.001 0.000 0.992 115 D HN 0.069 nan 8.370 nan 0.000 0.490 116 I N -0.077 120.494 120.570 0.001 0.000 2.252 116 I HA -0.188 3.981 4.170 -0.002 0.000 0.245 116 I C 1.789 177.915 176.117 0.015 0.000 1.102 116 I CA 1.181 62.485 61.300 0.007 0.000 1.385 116 I CB 0.282 38.283 38.000 0.003 0.000 1.064 116 I HN 0.030 nan 8.210 nan 0.000 0.414 117 E N 0.518 120.718 120.200 0.001 0.000 2.085 117 E HA -0.259 4.090 4.350 -0.002 0.000 0.194 117 E C 1.676 178.298 176.600 0.036 0.000 0.994 117 E CA 1.645 58.044 56.400 -0.001 0.000 0.801 117 E CB -0.105 29.575 29.700 -0.034 0.000 0.743 117 E HN 0.544 nan 8.360 nan 0.000 0.453 118 D N 0.614 121.031 120.400 0.028 0.000 2.117 118 D HA -0.123 4.516 4.640 -0.002 0.000 0.198 118 D C 1.463 177.790 176.300 0.044 0.000 0.982 118 D CA 1.035 55.058 54.000 0.038 0.000 0.828 118 D CB -0.364 40.449 40.800 0.022 0.000 0.967 118 D HN 0.095 nan 8.370 nan 0.000 0.464 119 D N 0.545 120.963 120.400 0.031 0.000 2.104 119 D HA -0.103 4.536 4.640 -0.002 0.000 0.194 119 D C 2.020 178.342 176.300 0.036 0.000 0.994 119 D CA 1.614 55.626 54.000 0.020 0.000 0.830 119 D CB -0.267 40.538 40.800 0.007 0.000 0.959 119 D HN 0.130 nan 8.370 nan 0.000 0.452 120 A N 0.626 123.493 122.820 0.079 0.000 1.873 120 A HA -0.330 3.989 4.320 -0.002 0.000 0.218 120 A C 2.079 179.773 177.584 0.183 0.000 1.193 120 A CA 1.983 54.114 52.037 0.156 0.000 0.629 120 A CB -0.847 18.312 19.000 0.266 0.000 0.826 120 A HN 0.269 nan 8.150 nan 0.000 0.447 121 Q N -0.893 119.043 119.800 0.227 0.000 2.096 121 Q HA -0.143 4.196 4.340 -0.002 0.000 0.204 121 Q C 2.436 178.477 176.000 0.069 0.000 0.982 121 Q CA 1.440 57.371 55.803 0.213 0.000 0.850 121 Q CB -0.421 28.427 28.738 0.183 0.000 0.901 121 Q HN 0.714 nan 8.270 nan 0.000 0.422 122 A N 0.882 123.725 122.820 0.038 0.000 1.902 122 A HA -0.179 4.140 4.320 -0.002 0.000 0.217 122 A C 2.058 179.619 177.584 -0.038 0.000 1.181 122 A CA 1.189 53.226 52.037 0.000 0.000 0.623 122 A CB -0.609 18.389 19.000 -0.004 0.000 0.818 122 A HN 0.351 nan 8.150 nan 0.000 0.443 123 L N -0.022 121.166 121.223 -0.059 0.000 1.994 123 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 123 L C 2.392 179.169 176.870 -0.155 0.000 1.071 123 L CA 2.152 56.924 54.840 -0.114 0.000 0.745 123 L CB -0.586 41.396 42.059 -0.129 0.000 0.892 123 L HN 0.149 nan 8.230 nan 0.000 0.431 124 V N -0.759 119.019 119.914 -0.225 0.000 2.343 124 V HA -0.260 3.859 4.120 -0.002 0.000 0.247 124 V C 2.467 178.447 176.094 -0.190 0.000 1.051 124 V CA 1.993 64.078 62.300 -0.358 0.000 1.036 124 V CB -0.757 30.659 31.823 -0.679 0.000 0.654 124 V HN 0.524 nan 8.190 nan 0.000 0.451 125 S N 0.185 115.829 115.700 -0.092 0.000 2.515 125 S HA -0.074 4.395 4.470 -0.002 0.000 0.231 125 S C 1.882 176.470 174.600 -0.021 0.000 0.987 125 S CA 1.161 59.346 58.200 -0.024 0.000 0.936 125 S CB -0.081 63.126 63.200 0.011 0.000 0.766 125 S HN 0.825 nan 8.310 nan 0.000 0.528 126 S N -0.062 115.614 115.700 -0.039 0.000 2.559 126 S HA 0.321 4.790 4.470 -0.002 0.000 0.226 126 S C 1.017 175.608 174.600 -0.015 0.000 1.030 126 S CA -0.494 57.693 58.200 -0.022 0.000 0.956 126 S CB 0.183 63.368 63.200 -0.025 0.000 0.900 126 S HN 0.286 nan 8.310 nan 0.000 0.510 127 K N 0.356 120.738 120.400 -0.030 0.000 2.491 127 K HA 0.466 4.785 4.320 -0.002 0.000 0.211 127 K C -0.422 176.185 176.600 0.011 0.000 1.210 127 K CA 0.062 56.360 56.287 0.019 0.000 1.003 127 K CB 0.921 33.452 32.500 0.053 0.000 1.009 127 K HN 0.342 nan 8.250 nan 0.000 0.577 128 I N 1.946 122.471 120.570 -0.074 0.000 2.433 128 I HA 0.165 4.334 4.170 -0.002 0.000 0.292 128 I C -0.053 176.069 176.117 0.009 0.000 1.001 128 I CA -0.901 60.328 61.300 -0.118 0.000 1.119 128 I CB 1.835 39.598 38.000 -0.394 0.000 1.289 128 I HN 0.053 nan 8.210 nan 0.000 0.438 129 Q N 4.618 124.476 119.800 0.096 0.000 2.398 129 Q HA -0.138 4.201 4.340 -0.002 0.000 0.329 129 Q C -0.092 176.028 176.000 0.200 0.000 1.079 129 Q CA 1.040 56.941 55.803 0.163 0.000 1.041 129 Q CB 0.158 29.056 28.738 0.266 0.000 1.084 129 Q HN 0.511 nan 8.270 nan 0.000 0.386 130 D N 1.695 122.197 120.400 0.170 0.000 2.955 130 D HA -0.224 4.415 4.640 -0.002 0.000 0.226 130 D C 0.884 177.352 176.300 0.280 0.000 1.178 130 D CA 0.916 55.031 54.000 0.191 0.000 0.808 130 D CB -1.248 39.673 40.800 0.202 0.000 1.099 130 D HN 0.872 nan 8.370 nan 0.000 0.421 131 G N 1.413 110.335 108.800 0.204 0.000 2.469 131 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.220 131 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.220 131 G C 1.413 176.442 174.900 0.216 0.000 1.136 131 G CA 1.223 46.436 45.100 0.188 0.000 0.759 131 G HN 0.520 nan 8.290 nan 0.000 0.562 132 E N 1.274 121.549 120.200 0.125 0.000 2.333 132 E HA -0.117 4.232 4.350 -0.002 0.000 0.198 132 E C 1.784 178.422 176.600 0.064 0.000 1.007 132 E CA 0.906 57.356 56.400 0.082 0.000 0.845 132 E CB -0.348 29.376 29.700 0.039 0.000 0.766 132 E HN 0.422 nan 8.360 nan 0.000 0.507 133 K N -0.232 120.198 120.400 0.049 0.000 2.418 133 K HA 0.048 4.367 4.320 -0.002 0.000 0.195 133 K C -0.123 176.393 176.600 -0.140 0.000 1.035 133 K CA 0.240 56.468 56.287 -0.099 0.000 1.003 133 K CB 0.072 32.444 32.500 -0.214 0.000 0.793 133 K HN 0.119 nan 8.250 nan 0.000 0.494 134 Y N 1.236 121.595 120.300 0.098 0.000 2.342 134 Y HA 0.277 4.826 4.550 -0.001 0.000 0.334 134 Y C 0.101 176.147 175.900 0.243 0.000 1.067 134 Y CA -0.792 57.422 58.100 0.189 0.000 1.128 134 Y CB 1.230 39.813 38.460 0.205 0.000 1.200 134 Y HN -0.282 nan 8.280 nan 0.000 0.464 135 K N 3.114 123.752 120.400 0.397 0.000 2.221 135 K HA 0.404 4.723 4.320 -0.002 0.000 0.258 135 K C -1.063 175.731 176.600 0.323 0.000 0.944 135 K CA -1.093 55.365 56.287 0.284 0.000 0.823 135 K CB 1.112 33.592 32.500 -0.035 0.000 1.113 135 K HN 0.645 nan 8.250 nan 0.000 0.431 136 L N 5.049 126.293 121.223 0.034 0.000 2.540 136 L HA -0.046 4.293 4.340 -0.002 0.000 0.276 136 L C 0.412 177.198 176.870 -0.141 0.000 1.212 136 L CA 0.892 55.352 54.840 -0.634 0.000 0.893 136 L CB 0.285 41.960 42.059 -0.640 0.000 1.138 136 L HN 0.893 nan 8.230 nan 0.000 0.491 137 W N 5.422 126.398 121.300 -0.540 0.000 2.850 137 W HA 0.198 4.856 4.660 -0.002 0.000 0.260 137 W C 0.065 176.345 176.519 -0.399 0.000 1.129 137 W CA -0.054 56.988 57.345 -0.505 0.000 1.587 137 W CB 0.546 29.385 29.460 -1.034 0.000 1.041 137 W HN 0.597 nan 8.180 nan 0.000 0.614 138 K N 1.337 121.468 120.400 -0.450 0.000 2.580 138 K HA 0.230 4.549 4.320 -0.002 0.000 0.258 138 K C -1.927 174.521 176.600 -0.254 0.000 0.936 138 K CA -0.399 55.616 56.287 -0.454 0.000 0.852 138 K CB 1.929 34.133 32.500 -0.494 0.000 1.329 138 K HN -0.251 nan 8.250 nan 0.000 0.430 139 V N 3.300 123.092 119.914 -0.204 0.000 2.383 139 V HA 0.239 4.358 4.120 -0.002 0.000 0.275 139 V C -0.405 175.636 176.094 -0.088 0.000 1.036 139 V CA -0.324 61.906 62.300 -0.116 0.000 0.889 139 V CB 1.304 33.071 31.823 -0.093 0.000 0.985 139 V HN 0.665 nan 8.190 nan 0.000 0.459 140 D N 4.037 124.410 120.400 -0.045 0.000 2.461 140 D HA 0.311 4.950 4.640 -0.002 0.000 0.240 140 D C 0.722 177.022 176.300 -0.000 0.000 1.094 140 D CA -0.488 53.498 54.000 -0.023 0.000 0.868 140 D CB 1.566 42.365 40.800 -0.002 0.000 1.062 140 D HN 0.446 nan 8.370 nan 0.000 0.530 141 K N 0.640 121.037 120.400 -0.005 0.000 2.155 141 K HA -0.093 4.226 4.320 -0.002 0.000 0.203 141 K C 2.041 178.651 176.600 0.017 0.000 1.052 141 K CA 1.062 57.353 56.287 0.006 0.000 0.948 141 K CB 0.169 32.668 32.500 -0.002 0.000 0.728 141 K HN 0.335 nan 8.250 nan 0.000 0.448 142 S N 1.611 117.321 115.700 0.015 0.000 2.368 142 S HA -0.130 4.339 4.470 -0.002 0.000 0.224 142 S C 1.731 176.352 174.600 0.035 0.000 1.029 142 S CA 0.975 59.188 58.200 0.022 0.000 0.988 142 S CB -0.159 63.052 63.200 0.019 0.000 0.838 142 S HN 0.186 nan 8.310 nan 0.000 0.462 143 K N 1.116 121.542 120.400 0.043 0.000 2.487 143 K HA 0.165 4.484 4.320 -0.002 0.000 0.192 143 K C -0.295 176.358 176.600 0.087 0.000 1.027 143 K CA 0.022 56.349 56.287 0.067 0.000 1.054 143 K CB -0.089 32.456 32.500 0.075 0.000 0.824 143 K HN 0.294 nan 8.250 nan 0.000 0.510 144 K N 2.065 122.506 120.400 0.068 0.000 3.689 144 K HA -0.215 4.104 4.320 -0.002 0.000 0.276 144 K C -0.815 175.846 176.600 0.101 0.000 0.932 144 K CA 1.095 57.428 56.287 0.077 0.000 0.758 144 K CB -1.645 30.905 32.500 0.082 0.000 1.500 144 K HN 0.584 nan 8.250 nan 0.000 0.448 145 E N -0.318 119.920 120.200 0.063 0.000 2.407 145 E HA 0.583 4.932 4.350 -0.002 0.000 0.279 145 E C -0.847 175.764 176.600 0.019 0.000 1.012 145 E CA -1.129 55.289 56.400 0.030 0.000 0.800 145 E CB 1.537 31.230 29.700 -0.012 0.000 1.276 145 E HN 0.135 nan 8.360 nan 0.000 0.452 146 I N 1.779 122.371 120.570 0.036 0.000 2.509 146 I HA 0.471 4.640 4.170 -0.002 0.000 0.293 146 I C -0.535 175.659 176.117 0.127 0.000 1.020 146 I CA -1.083 60.252 61.300 0.059 0.000 1.088 146 I CB 1.574 39.655 38.000 0.136 0.000 1.267 146 I HN 0.439 nan 8.210 nan 0.000 0.430 147 I N 5.260 125.838 120.570 0.014 0.000 2.474 147 I HA 0.445 4.614 4.170 -0.002 0.000 0.294 147 I C -1.119 174.964 176.117 -0.057 0.000 1.005 147 I CA -0.461 60.891 61.300 0.087 0.000 1.113 147 I CB 1.706 39.740 38.000 0.057 0.000 1.289 147 I HN 0.284 nan 8.210 nan 0.000 0.436 148 F N 5.068 125.028 119.950 0.017 0.000 2.520 148 F HA 0.545 5.071 4.527 -0.002 0.000 0.322 148 F C -0.513 175.458 175.800 0.285 0.000 1.103 148 F CA -0.643 57.423 58.000 0.109 0.000 0.926 148 F CB 1.449 40.512 39.000 0.104 0.000 1.154 148 F HN 0.101 nan 8.300 nan 0.000 0.453 149 F N 1.465 121.676 119.950 0.436 0.000 2.420 149 F HA 0.367 4.893 4.527 -0.002 0.000 0.342 149 F C 0.486 176.498 175.800 0.355 0.000 1.113 149 F CA -1.464 56.721 58.000 0.308 0.000 1.059 149 F CB 1.208 40.259 39.000 0.085 0.000 1.128 149 F HN 0.450 nan 8.300 nan 0.000 0.475 150 Q N 1.492 121.557 119.800 0.442 0.000 2.428 150 Q HA 0.286 4.625 4.340 -0.002 0.000 0.276 150 Q C -0.091 175.929 176.000 0.033 0.000 1.059 150 Q CA 0.166 55.960 55.803 -0.015 0.000 0.923 150 Q CB 0.757 29.404 28.738 -0.151 0.000 1.283 150 Q HN 0.846 nan 8.270 nan 0.000 0.447 151 T N 0.419 114.926 114.554 -0.078 0.000 2.940 151 T HA 0.506 4.855 4.350 -0.002 0.000 0.288 151 T C -1.460 173.176 174.700 -0.106 0.000 1.045 151 T CA -0.707 61.353 62.100 -0.067 0.000 1.018 151 T CB 1.154 69.943 68.868 -0.130 0.000 1.151 151 T HN 0.575 nan 8.240 nan 0.000 0.529 152 Y N 0.158 120.322 120.300 -0.227 0.000 2.386 152 Y HA 0.402 4.951 4.550 -0.002 0.000 0.334 152 Y C 0.293 176.132 175.900 -0.100 0.000 1.002 152 Y CA -0.925 56.945 58.100 -0.384 0.000 1.068 152 Y CB 1.285 39.363 38.460 -0.637 0.000 1.203 152 Y HN 1.047 nan 8.280 nan 0.000 0.443 153 E N 4.225 124.028 120.200 -0.661 0.000 2.403 153 E HA -0.310 4.039 4.350 -0.002 0.000 0.241 153 E C 1.046 177.478 176.600 -0.280 0.000 1.201 153 E CA 1.141 57.264 56.400 -0.462 0.000 0.721 153 E CB -1.282 28.124 29.700 -0.490 0.000 1.245 153 E HN 1.268 nan 8.360 nan 0.000 0.392 154 G N -0.575 108.043 108.800 -0.303 0.000 2.258 154 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.233 154 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.233 154 G C 0.079 174.708 174.900 -0.451 0.000 1.006 154 G CA 0.338 45.195 45.100 -0.406 0.000 0.620 154 G HN 0.457 nan 8.290 nan 0.000 0.511 155 H N -0.423 118.658 119.070 0.019 0.000 2.479 155 H HA 0.492 5.046 4.556 -0.002 0.000 0.335 155 H C -0.029 175.285 175.328 -0.024 0.000 1.142 155 H CA -0.716 55.365 56.048 0.054 0.000 1.234 155 H CB 0.714 30.614 29.762 0.230 0.000 1.503 155 H HN 0.241 nan 8.280 nan 0.000 0.510 156 Y N 0.776 121.053 120.300 -0.039 0.000 2.597 156 Y HA 0.001 4.549 4.550 -0.002 0.000 0.336 156 Y C 1.069 176.759 175.900 -0.350 0.000 1.216 156 Y CA 0.040 57.968 58.100 -0.288 0.000 1.463 156 Y CB 0.414 38.415 38.460 -0.764 0.000 1.303 156 Y HN 0.382 nan 8.280 nan 0.000 0.576 157 I N 4.776 125.306 120.570 -0.066 0.000 2.282 157 I HA 0.077 4.246 4.170 -0.002 0.000 0.290 157 I C -0.800 175.063 176.117 -0.424 0.000 1.090 157 I CA -0.302 60.916 61.300 -0.137 0.000 1.231 157 I CB -0.247 37.718 38.000 -0.058 0.000 1.434 157 I HN 0.470 nan 8.210 nan 0.000 0.487 158 Y N 5.812 125.927 120.300 -0.308 0.000 2.526 158 Y HA 0.185 4.734 4.550 -0.002 0.000 0.330 158 Y C 0.640 176.130 175.900 -0.683 0.000 1.156 158 Y CA 0.161 57.892 58.100 -0.615 0.000 1.419 158 Y CB 0.434 38.692 38.460 -0.337 0.000 1.250 158 Y HN 0.530 nan 8.280 nan 0.000 0.540 159 Q N 2.125 121.361 119.800 -0.941 0.000 2.553 159 Q HA 0.445 4.784 4.340 -0.002 0.000 0.293 159 Q C -1.192 174.617 176.000 -0.319 0.000 1.038 159 Q CA -1.445 54.009 55.803 -0.581 0.000 0.777 159 Q CB 2.360 30.723 28.738 -0.626 0.000 1.487 159 Q HN 0.502 nan 8.270 nan 0.000 0.426 160 K N 0.714 121.048 120.400 -0.111 0.000 2.144 160 K HA 0.216 4.534 4.320 -0.002 0.000 0.270 160 K C 0.489 177.149 176.600 0.100 0.000 1.005 160 K CA 0.027 56.328 56.287 0.022 0.000 0.932 160 K CB 0.914 33.428 32.500 0.024 0.000 1.021 160 K HN 0.756 nan 8.250 nan 0.000 0.462 161 T N -1.998 112.654 114.554 0.164 0.000 3.134 161 T HA 0.099 4.448 4.350 -0.002 0.000 0.260 161 T C 0.098 174.882 174.700 0.140 0.000 1.027 161 T CA -0.081 62.140 62.100 0.202 0.000 0.913 161 T CB 0.020 69.042 68.868 0.256 0.000 1.046 161 T HN 0.389 nan 8.240 nan 0.000 0.553 162 D N 2.772 123.236 120.400 0.106 0.000 2.101 162 D HA 0.126 4.765 4.640 -0.002 0.000 0.286 162 D C 0.937 177.285 176.300 0.081 0.000 1.145 162 D CA 0.142 54.193 54.000 0.085 0.000 0.883 162 D CB -0.280 40.560 40.800 0.067 0.000 0.935 162 D HN 0.704 nan 8.370 nan 0.000 0.313 163 N N 0.909 119.648 118.700 0.066 0.000 2.273 163 N HA -0.032 4.707 4.740 -0.002 0.000 0.227 163 N C -1.973 173.578 175.510 0.069 0.000 1.292 163 N CA -0.778 52.309 53.050 0.060 0.000 0.875 163 N CB 0.487 39.002 38.487 0.047 0.000 1.105 163 N HN -0.022 nan 8.380 nan 0.000 0.434 164 P HA -0.021 nan 4.420 nan 0.000 0.221 164 P C 0.935 178.268 177.300 0.056 0.000 1.150 164 P CA 0.797 63.937 63.100 0.067 0.000 0.800 164 P CB 0.125 31.861 31.700 0.059 0.000 0.787 165 S N -0.995 114.732 115.700 0.046 0.000 2.469 165 S HA -0.055 4.414 4.470 -0.002 0.000 0.238 165 S C 0.971 175.590 174.600 0.031 0.000 0.998 165 S CA 0.851 59.072 58.200 0.036 0.000 0.957 165 S CB -0.674 62.545 63.200 0.032 0.000 0.764 165 S HN 0.267 nan 8.310 nan 0.000 0.514 169 G N 3.406 112.271 108.800 0.107 0.000 3.317 169 G HA2 0.655 4.614 3.960 -0.002 0.000 0.308 169 G HA3 0.655 4.614 3.960 -0.002 0.000 0.308 169 G C -1.120 174.006 174.900 0.377 0.000 1.535 169 G CA -0.110 45.117 45.100 0.212 0.000 0.788 169 G HN 0.279 nan 8.290 nan 0.000 0.478 170 Q N -0.142 119.920 119.800 0.437 0.000 2.501 170 Q HA 0.693 5.032 4.340 -0.002 0.000 0.288 170 Q C -1.456 174.658 176.000 0.190 0.000 1.051 170 Q CA -1.091 54.974 55.803 0.436 0.000 0.788 170 Q CB 3.474 32.425 28.738 0.354 0.000 1.469 170 Q HN 0.183 nan 8.270 nan 0.000 0.416 171 V N 1.387 121.313 119.914 0.021 0.000 2.531 171 V HA 0.453 4.572 4.120 -0.002 0.000 0.301 171 V C -0.943 175.174 176.094 0.039 0.000 1.034 171 V CA -0.664 61.534 62.300 -0.171 0.000 0.865 171 V CB 2.011 33.440 31.823 -0.656 0.000 0.995 171 V HN 0.524 nan 8.190 nan 0.000 0.424 172 V N 6.364 126.299 119.914 0.036 0.000 2.409 172 V HA 0.498 4.617 4.120 -0.002 0.000 0.291 172 V C -0.244 175.787 176.094 -0.105 0.000 1.020 172 V CA -0.541 61.758 62.300 -0.001 0.000 0.848 172 V CB 1.686 33.474 31.823 -0.058 0.000 0.990 172 V HN 0.638 nan 8.190 nan 0.000 0.430 173 L N 4.999 126.188 121.223 -0.057 0.000 2.312 173 L HA 0.581 4.920 4.340 -0.002 0.000 0.281 173 L C -0.159 176.620 176.870 -0.152 0.000 1.070 173 L CA -0.559 54.270 54.840 -0.018 0.000 0.805 173 L CB 0.747 42.860 42.059 0.091 0.000 1.174 173 L HN 0.583 nan 8.230 nan 0.000 0.434 174 H N 4.422 123.579 119.070 0.146 0.000 2.459 174 H HA 0.575 5.131 4.556 -0.000 0.000 0.332 174 H C -0.559 174.834 175.328 0.107 0.000 1.094 174 H CA -0.489 55.623 56.048 0.105 0.000 1.224 174 H CB 1.964 31.771 29.762 0.075 0.000 1.449 174 H HN 0.387 nan 8.280 nan 0.000 0.484 175 L N 2.369 123.707 121.223 0.193 0.000 2.333 175 L HA 0.469 4.808 4.340 -0.002 0.000 0.269 175 L C 0.064 176.998 176.870 0.106 0.000 1.010 175 L CA -0.853 54.065 54.840 0.131 0.000 0.818 175 L CB 1.693 43.807 42.059 0.091 0.000 1.306 175 L HN 0.480 nan 8.230 nan 0.000 0.430 176 N N -0.176 118.572 118.700 0.080 0.000 2.367 176 N HA 0.710 5.449 4.740 -0.002 0.000 0.278 176 N C -0.242 175.295 175.510 0.044 0.000 1.117 176 N CA 0.671 53.755 53.050 0.057 0.000 0.867 176 N CB 2.252 40.768 38.487 0.049 0.000 1.649 176 N HN 0.947 nan 8.380 nan 0.000 0.479 177 G N 2.118 110.938 108.800 0.034 0.000 2.846 177 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.225 177 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.225 177 G C -1.089 173.824 174.900 0.022 0.000 1.285 177 G CA -0.564 44.551 45.100 0.025 0.000 1.055 177 G HN 0.605 nan 8.290 nan 0.000 0.579 178 K N 2.031 122.443 120.400 0.019 0.000 2.257 178 K HA 0.322 4.641 4.320 -0.002 0.000 0.270 178 K C 0.023 176.633 176.600 0.018 0.000 1.098 178 K CA -0.348 55.948 56.287 0.015 0.000 0.943 178 K CB -0.042 32.464 32.500 0.010 0.000 1.316 178 K HN 0.467 nan 8.250 nan 0.000 0.447 179 N N 3.292 122.005 118.700 0.022 0.000 2.725 179 N HA -0.219 4.520 4.740 -0.002 0.000 0.280 179 N C -1.201 174.323 175.510 0.023 0.000 1.017 179 N CA 1.214 54.278 53.050 0.024 0.000 0.813 179 N CB -0.531 37.965 38.487 0.016 0.000 0.931 179 N HN 0.633 nan 8.380 nan 0.000 0.570 180 E N -0.540 119.680 120.200 0.034 0.000 2.234 180 E HA 0.386 4.735 4.350 -0.002 0.000 0.266 180 E C -0.519 176.122 176.600 0.068 0.000 0.877 180 E CA -0.827 55.593 56.400 0.033 0.000 0.758 180 E CB 2.035 31.752 29.700 0.029 0.000 1.170 180 E HN -0.045 nan 8.360 nan 0.000 0.415 181 V N 4.454 124.408 119.914 0.068 0.000 2.389 181 V HA 0.001 4.120 4.120 -0.002 0.000 0.264 181 V C 0.918 177.175 176.094 0.271 0.000 1.049 181 V CA 0.173 62.567 62.300 0.156 0.000 0.932 181 V CB 1.031 32.936 31.823 0.138 0.000 1.011 181 V HN 0.646 nan 8.190 nan 0.000 0.475 182 V N 3.880 123.960 119.914 0.278 0.000 2.599 182 V HA 0.085 4.204 4.120 -0.002 0.000 0.245 182 V C 0.925 177.203 176.094 0.306 0.000 1.046 182 V CA 1.403 63.862 62.300 0.264 0.000 1.065 182 V CB 0.309 32.221 31.823 0.150 0.000 0.703 182 V HN 0.939 nan 8.190 nan 0.000 0.464 183 S N -0.590 115.277 115.700 0.278 0.000 2.636 183 S HA 0.681 5.150 4.470 -0.002 0.000 0.268 183 S C -1.390 173.344 174.600 0.224 0.000 1.159 183 S CA -0.614 57.622 58.200 0.061 0.000 0.815 183 S CB 1.945 65.132 63.200 -0.022 0.000 1.130 183 S HN 0.505 nan 8.310 nan 0.000 0.471 184 Y N -0.780 119.482 120.300 -0.063 0.000 2.581 184 Y HA 0.807 5.356 4.550 -0.001 0.000 0.337 184 Y C -1.645 174.234 175.900 -0.035 0.000 1.108 184 Y CA -1.027 57.059 58.100 -0.024 0.000 1.033 184 Y CB 0.801 39.199 38.460 -0.103 0.000 1.318 184 Y HN 0.567 nan 8.280 nan 0.000 0.459 185 D N 1.974 122.450 120.400 0.126 0.000 2.217 185 D HA 0.374 5.013 4.640 -0.002 0.000 0.248 185 D C -1.204 175.161 176.300 0.109 0.000 1.008 185 D CA -0.321 53.710 54.000 0.051 0.000 0.914 185 D CB 2.109 42.976 40.800 0.113 0.000 1.182 185 D HN 0.695 nan 8.370 nan 0.000 0.451 186 Q N 0.242 120.063 119.800 0.036 0.000 2.386 186 Q HA 0.456 4.795 4.340 -0.002 0.000 0.274 186 Q C -1.763 174.303 176.000 0.109 0.000 1.011 186 Q CA -0.646 55.200 55.803 0.071 0.000 0.867 186 Q CB 1.905 30.702 28.738 0.099 0.000 1.409 186 Q HN 0.574 nan 8.270 nan 0.000 0.395 187 T N -0.422 114.272 114.554 0.233 0.000 2.903 187 T HA 0.780 5.129 4.350 -0.002 0.000 0.299 187 T C -0.707 174.242 174.700 0.415 0.000 1.093 187 T CA -0.586 61.707 62.100 0.323 0.000 1.002 187 T CB 1.963 70.961 68.868 0.217 0.000 1.127 187 T HN 0.431 nan 8.240 nan 0.000 0.488 188 T N 2.203 116.970 114.554 0.354 0.000 2.893 188 T HA 0.619 4.968 4.350 -0.002 0.000 0.293 188 T C -0.362 174.372 174.700 0.057 0.000 1.027 188 T CA -0.790 61.455 62.100 0.242 0.000 0.988 188 T CB 1.195 70.187 68.868 0.208 0.000 1.043 188 T HN 0.611 nan 8.240 nan 0.000 0.461 189 L N 2.527 123.750 121.223 0.000 0.000 2.360 189 L HA 0.710 5.049 4.340 -0.002 0.000 0.271 189 L C 0.464 177.207 176.870 -0.212 0.000 1.057 189 L CA -0.681 54.050 54.840 -0.181 0.000 0.803 189 L CB 1.052 42.943 42.059 -0.280 0.000 1.207 189 L HN 0.797 nan 8.230 nan 0.000 0.445 190 E N -0.567 119.403 120.200 -0.384 0.000 2.433 190 E HA 0.394 4.743 4.350 -0.002 0.000 0.278 190 E C -1.103 175.281 176.600 -0.360 0.000 0.976 190 E CA -0.953 55.292 56.400 -0.258 0.000 0.793 190 E CB 1.792 31.398 29.700 -0.157 0.000 1.311 190 E HN 0.473 nan 8.360 nan 0.000 0.460 191 T N 0.759 115.220 114.554 -0.154 0.000 3.655 191 T HA -0.202 4.147 4.350 -0.002 0.000 0.396 191 T C -0.462 174.120 174.700 -0.196 0.000 0.764 191 T CA 0.676 62.704 62.100 -0.121 0.000 2.058 191 T CB -2.058 66.728 68.868 -0.136 0.000 1.737 191 T HN 0.369 nan 8.240 nan 0.000 0.746 192 F N 1.538 121.427 119.950 -0.102 0.000 2.518 192 F HA 0.439 4.965 4.527 -0.002 0.000 0.359 192 F C 1.282 176.997 175.800 -0.141 0.000 1.118 192 F CA 0.135 58.030 58.000 -0.175 0.000 1.287 192 F CB 0.724 39.610 39.000 -0.191 0.000 1.132 192 F HN 0.102 nan 8.300 nan 0.000 0.587 193 K N 2.707 123.089 120.400 -0.030 0.000 2.482 193 K HA 0.271 4.590 4.320 -0.002 0.000 0.251 193 K C -1.253 175.287 176.600 -0.099 0.000 0.936 193 K CA -0.961 55.294 56.287 -0.054 0.000 0.791 193 K CB 2.196 34.654 32.500 -0.070 0.000 1.213 193 K HN 0.547 nan 8.250 nan 0.000 0.428 194 Q N 3.170 122.896 119.800 -0.123 0.000 2.337 194 Q HA 0.180 4.519 4.340 -0.002 0.000 0.255 194 Q C 1.030 176.981 176.000 -0.082 0.000 0.997 194 Q CA -0.152 55.541 55.803 -0.182 0.000 0.925 194 Q CB 0.580 29.069 28.738 -0.415 0.000 1.212 194 Q HN 0.687 nan 8.270 nan 0.000 0.436 195 I N -0.659 119.893 120.570 -0.030 0.000 2.852 195 I HA 0.099 4.268 4.170 -0.002 0.000 0.264 195 I C 0.353 176.487 176.117 0.028 0.000 1.179 195 I CA 0.534 61.829 61.300 -0.008 0.000 1.480 195 I CB 0.472 38.465 38.000 -0.013 0.000 1.111 195 I HN 0.492 nan 8.210 nan 0.000 0.441 196 Q N 2.654 122.497 119.800 0.072 0.000 2.430 196 Q HA 0.258 4.597 4.340 -0.002 0.000 0.253 196 Q C -1.444 174.655 176.000 0.164 0.000 0.945 196 Q CA -0.770 55.089 55.803 0.093 0.000 0.964 196 Q CB 1.879 30.660 28.738 0.073 0.000 1.460 196 Q HN 0.420 nan 8.270 nan 0.000 0.428 197 K N 2.672 123.174 120.400 0.169 0.000 2.144 197 K HA 0.547 4.866 4.320 -0.002 0.000 0.270 197 K C -0.693 175.977 176.600 0.117 0.000 1.005 197 K CA -0.359 56.057 56.287 0.215 0.000 0.932 197 K CB 1.573 34.209 32.500 0.226 0.000 1.021 197 K HN 0.521 nan 8.250 nan 0.000 0.462 198 E N 0.846 121.093 120.200 0.078 0.000 2.413 198 E HA 0.097 4.446 4.350 -0.002 0.000 0.277 198 E C -1.522 175.081 176.600 0.005 0.000 0.958 198 E CA -0.914 55.510 56.400 0.041 0.000 0.779 198 E CB 2.328 32.058 29.700 0.050 0.000 1.278 198 E HN 0.698 nan 8.360 nan 0.000 0.456 199 S N 1.618 117.324 115.700 0.009 0.000 2.549 199 S HA 0.297 4.766 4.470 -0.002 0.000 0.279 199 S C -0.169 174.439 174.600 0.013 0.000 1.321 199 S CA -0.334 57.867 58.200 0.003 0.000 1.054 199 S CB 0.118 63.323 63.200 0.007 0.000 0.899 199 S HN 0.321 nan 8.310 nan 0.000 0.497 200 L N 4.691 125.927 121.223 0.022 0.000 2.358 200 L HA 0.604 4.943 4.340 -0.002 0.000 0.268 200 L C 0.446 177.398 176.870 0.137 0.000 1.032 200 L CA -1.186 53.702 54.840 0.079 0.000 0.805 200 L CB 1.319 43.422 42.059 0.075 0.000 1.253 200 L HN 0.699 nan 8.230 nan 0.000 0.452 201 I N -1.562 119.143 120.570 0.225 0.000 2.581 201 I HA 0.342 4.511 4.170 -0.002 0.000 0.288 201 I C 0.571 176.830 176.117 0.237 0.000 1.047 201 I CA -0.428 60.982 61.300 0.183 0.000 1.374 201 I CB 1.473 39.558 38.000 0.141 0.000 1.423 201 I HN 0.666 nan 8.210 nan 0.000 0.549 202 T N 1.609 116.184 114.554 0.035 0.000 2.860 202 T HA 0.257 4.606 4.350 -0.002 0.000 0.299 202 T C 0.277 174.756 174.700 -0.367 0.000 1.045 202 T CA -0.514 61.540 62.100 -0.076 0.000 1.071 202 T CB 0.745 69.557 68.868 -0.092 0.000 0.985 202 T HN 0.784 nan 8.240 nan 0.000 0.537 206 A N 1.392 124.078 122.820 -0.224 0.000 1.917 206 A HA -0.142 4.177 4.320 -0.002 0.000 0.219 206 A C 2.271 179.770 177.584 -0.141 0.000 1.182 206 A CA 2.231 54.169 52.037 -0.165 0.000 0.633 206 A CB -0.702 18.111 19.000 -0.311 0.000 0.819 206 A HN 0.161 nan 8.150 nan 0.000 0.448 207 V N -0.069 119.720 119.914 -0.208 0.000 2.323 207 V HA -0.238 3.881 4.120 -0.002 0.000 0.244 207 V C 2.365 178.388 176.094 -0.119 0.000 1.041 207 V CA 2.140 64.333 62.300 -0.179 0.000 1.025 207 V CB -0.884 30.786 31.823 -0.255 0.000 0.656 207 V HN 0.646 nan 8.190 nan 0.000 0.451 208 E N -0.176 119.943 120.200 -0.135 0.000 2.130 208 E HA -0.289 4.060 4.350 -0.002 0.000 0.196 208 E C 2.126 178.767 176.600 0.068 0.000 0.998 208 E CA 1.387 57.772 56.400 -0.026 0.000 0.806 208 E CB -0.243 29.417 29.700 -0.066 0.000 0.738 208 E HN 0.348 nan 8.360 nan 0.000 0.459 209 L N 0.762 121.985 121.223 0.001 0.000 2.017 209 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 209 L C 2.183 179.094 176.870 0.068 0.000 1.073 209 L CA 1.451 56.315 54.840 0.040 0.000 0.745 209 L CB -0.357 41.704 42.059 0.003 0.000 0.894 209 L HN 0.149 nan 8.230 nan 0.000 0.432 210 L N -2.172 119.039 121.223 -0.020 0.000 2.012 210 L HA -0.310 4.029 4.340 -0.002 0.000 0.210 210 L C 2.514 179.347 176.870 -0.062 0.000 1.073 210 L CA 1.712 56.478 54.840 -0.123 0.000 0.748 210 L CB -0.777 41.103 42.059 -0.298 0.000 0.891 210 L HN 0.330 nan 8.230 nan 0.000 0.431 211 Y N -0.427 119.812 120.300 -0.101 0.000 2.165 211 Y HA -0.372 4.177 4.550 -0.002 0.000 0.286 211 Y C 2.590 178.486 175.900 -0.007 0.000 1.155 211 Y CA 1.794 59.856 58.100 -0.063 0.000 1.164 211 Y CB -0.655 37.782 38.460 -0.039 0.000 0.978 211 Y HN 0.193 nan 8.280 nan 0.000 0.513 212 Y N 1.108 121.344 120.300 -0.106 0.000 2.224 212 Y HA -0.209 4.340 4.550 -0.002 0.000 0.289 212 Y C 1.775 177.568 175.900 -0.179 0.000 1.146 212 Y CA 2.043 60.050 58.100 -0.156 0.000 1.182 212 Y CB -0.395 38.039 38.460 -0.043 0.000 0.983 212 Y HN 0.255 nan 8.280 nan 0.000 0.524 213 Q N 0.646 120.374 119.800 -0.120 0.000 2.253 213 Q HA 0.000 4.339 4.340 -0.002 0.000 0.210 213 Q C -0.082 175.800 176.000 -0.196 0.000 0.907 213 Q CA 0.330 56.029 55.803 -0.172 0.000 0.948 213 Q CB -0.223 28.500 28.738 -0.025 0.000 1.033 213 Q HN 0.428 nan 8.270 nan 0.000 0.471 214 N N 0.989 119.520 118.700 -0.282 0.000 2.738 214 N HA -0.181 4.557 4.740 -0.002 0.000 0.249 214 N C 0.170 175.593 175.510 -0.146 0.000 1.047 214 N CA 0.480 53.379 53.050 -0.253 0.000 0.707 214 N CB -0.423 37.934 38.487 -0.217 0.000 0.937 214 N HN 0.306 nan 8.380 nan 0.000 0.545 215 Q N -0.882 118.831 119.800 -0.146 0.000 2.378 215 Q HA 0.296 4.635 4.340 -0.002 0.000 0.229 215 Q C 0.458 176.410 176.000 -0.080 0.000 0.882 215 Q CA 0.427 56.170 55.803 -0.099 0.000 0.936 215 Q CB 0.742 29.322 28.738 -0.262 0.000 1.092 215 Q HN 0.531 nan 8.270 nan 0.000 0.535 216 L N 1.434 122.609 121.223 -0.080 0.000 2.344 216 L HA 0.395 4.734 4.340 -0.002 0.000 0.272 216 L C 0.182 177.054 176.870 0.004 0.000 1.035 216 L CA -0.614 54.219 54.840 -0.011 0.000 0.807 216 L CB 1.189 43.284 42.059 0.060 0.000 1.237 216 L HN -0.239 nan 8.230 nan 0.000 0.442 217 K N 1.182 121.557 120.400 -0.043 0.000 2.095 217 K HA 0.379 4.698 4.320 -0.002 0.000 0.252 217 K C -0.575 176.037 176.600 0.020 0.000 0.977 217 K CA -0.875 55.361 56.287 -0.084 0.000 0.900 217 K CB 1.351 33.651 32.500 -0.334 0.000 1.060 217 K HN 0.483 nan 8.250 nan 0.000 0.449 218 E N 0.638 120.879 120.200 0.068 0.000 2.437 218 E HA -0.119 4.230 4.350 -0.002 0.000 0.263 218 E C -0.766 175.970 176.600 0.226 0.000 1.030 218 E CA 0.602 57.078 56.400 0.126 0.000 0.934 218 E CB -0.006 29.829 29.700 0.224 0.000 0.943 218 E HN 0.447 nan 8.360 nan 0.000 0.444 219 Y N -0.878 119.484 120.300 0.104 0.000 3.589 219 Y HA -0.278 4.271 4.550 -0.002 0.000 0.218 219 Y C 0.033 175.998 175.900 0.108 0.000 1.234 219 Y CA 0.571 58.726 58.100 0.090 0.000 1.576 219 Y CB -2.167 36.317 38.460 0.039 0.000 1.487 219 Y HN 0.328 nan 8.280 nan 0.000 0.616 220 S N -1.680 114.126 115.700 0.177 0.000 2.608 220 S HA 0.819 5.288 4.470 -0.002 0.000 0.291 220 S C 0.133 174.812 174.600 0.132 0.000 1.146 220 S CA -0.791 57.523 58.200 0.190 0.000 1.043 220 S CB 2.567 65.871 63.200 0.173 0.000 1.037 220 S HN 0.155 nan 8.310 nan 0.000 0.520 221 T N 1.598 116.232 114.554 0.133 0.000 2.823 221 T HA 0.456 4.805 4.350 -0.002 0.000 0.279 221 T C -0.449 174.311 174.700 0.101 0.000 0.998 221 T CA -0.558 61.599 62.100 0.095 0.000 0.994 221 T CB 1.319 70.232 68.868 0.076 0.000 0.960 221 T HN 0.486 nan 8.240 nan 0.000 0.448 222 V N 5.045 125.021 119.914 0.103 0.000 2.408 222 V HA 0.195 4.314 4.120 -0.002 0.000 0.267 222 V C 1.111 177.262 176.094 0.094 0.000 1.047 222 V CA -0.294 62.069 62.300 0.104 0.000 0.937 222 V CB 1.033 32.924 31.823 0.114 0.000 0.999 222 V HN 0.755 nan 8.190 nan 0.000 0.472 223 K N 2.711 123.164 120.400 0.088 0.000 2.211 223 K HA 0.160 4.479 4.320 -0.002 0.000 0.201 223 K C 0.628 177.288 176.600 0.101 0.000 1.052 223 K CA 0.698 57.035 56.287 0.083 0.000 0.973 223 K CB 0.387 32.929 32.500 0.070 0.000 0.766 223 K HN 0.811 nan 8.250 nan 0.000 0.466 224 S N -1.448 114.325 115.700 0.121 0.000 2.558 224 S HA 0.215 4.684 4.470 -0.002 0.000 0.277 224 S C -1.202 173.496 174.600 0.162 0.000 1.143 224 S CA -1.149 57.138 58.200 0.145 0.000 0.865 224 S CB 1.223 64.530 63.200 0.178 0.000 1.102 224 S HN 0.115 nan 8.310 nan 0.000 0.454 225 C N 3.666 123.063 119.300 0.163 0.000 2.521 225 C HA 0.614 5.073 4.460 -0.002 0.000 0.291 225 C C -0.493 174.722 174.990 0.375 0.000 1.074 225 C CA -0.453 58.678 59.018 0.187 0.000 1.495 225 C CB -0.956 26.761 27.740 -0.038 0.000 1.862 225 C HN 0.778 nan 8.230 nan 0.000 0.418 226 K N 3.246 123.921 120.400 0.459 0.000 2.110 226 K HA 0.395 4.714 4.320 -0.002 0.000 0.263 226 K C -0.695 176.292 176.600 0.644 0.000 0.975 226 K CA -0.247 56.368 56.287 0.547 0.000 0.895 226 K CB 1.881 34.694 32.500 0.523 0.000 1.060 226 K HN 0.657 nan 8.250 nan 0.000 0.448 227 F N 0.149 120.313 119.950 0.357 0.000 2.397 227 F HA 0.559 5.085 4.527 -0.001 0.000 0.331 227 F C 0.415 176.212 175.800 -0.005 0.000 1.090 227 F CA 0.359 58.294 58.000 -0.107 0.000 1.065 227 F CB 1.454 40.159 39.000 -0.492 0.000 1.184 227 F HN 0.647 nan 8.300 nan 0.000 0.499 228 G N 2.962 111.141 108.800 -1.036 0.000 2.570 228 G HA2 0.401 4.360 3.960 -0.002 0.000 0.310 228 G HA3 0.401 4.360 3.960 -0.002 0.000 0.310 228 G C -2.408 171.918 174.900 -0.957 0.000 1.266 228 G CA -0.708 44.033 45.100 -0.598 0.000 0.825 228 G HN 0.552 nan 8.290 nan 0.000 0.483 229 Y N -1.082 119.077 120.300 -0.234 0.000 2.512 229 Y HA 0.646 5.195 4.550 -0.002 0.000 0.348 229 Y C 0.179 176.036 175.900 -0.072 0.000 0.990 229 Y CA -0.839 57.152 58.100 -0.182 0.000 1.033 229 Y CB 2.659 41.040 38.460 -0.132 0.000 1.259 229 Y HN 0.637 nan 8.280 nan 0.000 0.461 230 V N -0.500 119.464 119.914 0.085 0.000 2.876 230 V HA 0.977 5.096 4.120 -0.002 0.000 0.312 230 V C -0.316 175.785 176.094 0.011 0.000 1.085 230 V CA -1.262 61.055 62.300 0.029 0.000 0.945 230 V CB 1.367 33.198 31.823 0.013 0.000 1.017 230 V HN 0.982 nan 8.190 nan 0.000 0.428 231 A N 2.260 125.063 122.820 -0.029 0.000 2.477 231 A HA 0.377 4.696 4.320 -0.002 0.000 0.246 231 A C 0.718 178.290 177.584 -0.020 0.000 1.078 231 A CA 0.153 52.159 52.037 -0.052 0.000 0.770 231 A CB 0.618 19.576 19.000 -0.070 0.000 1.011 231 A HN 1.057 nan 8.150 nan 0.000 0.494 232 Q N 0.339 120.115 119.800 -0.041 0.000 2.373 232 Q HA 0.281 4.620 4.340 -0.002 0.000 0.210 232 Q C -0.889 175.254 176.000 0.237 0.000 0.913 232 Q CA 1.049 56.900 55.803 0.080 0.000 0.911 232 Q CB 0.257 29.045 28.738 0.084 0.000 1.040 232 Q HN 0.971 nan 8.270 nan 0.000 0.521 233 Y N -4.383 115.908 120.300 -0.015 0.000 3.032 233 Y HA 0.187 4.736 4.550 -0.002 0.000 0.427 233 Y C -3.305 172.582 175.900 -0.021 0.000 1.051 233 Y CA -1.833 56.259 58.100 -0.014 0.000 1.464 233 Y CB -0.508 37.946 38.460 -0.009 0.000 1.735 233 Y HN -0.153 nan 8.280 nan 0.000 0.542 234 P HA 0.790 nan 4.420 nan 0.000 0.307 234 P C -1.382 175.912 177.300 -0.009 0.000 1.307 234 P CA -0.652 62.397 63.100 -0.086 0.000 0.814 234 P CB 2.609 34.309 31.700 0.001 0.000 1.311 235 L N -0.829 120.372 121.223 -0.037 0.000 2.932 235 L HA 0.163 4.502 4.340 -0.002 0.000 0.225 235 L C -0.825 176.030 176.870 -0.025 0.000 1.056 235 L CA 0.028 54.873 54.840 0.010 0.000 1.130 235 L CB -0.092 41.991 42.059 0.040 0.000 1.367 235 L HN 0.651 nan 8.230 nan 0.000 0.627 236 T N -1.880 112.662 114.554 -0.020 0.000 0.541 236 T HA -0.294 4.055 4.350 -0.002 0.000 0.774 236 T C 0.986 175.652 174.700 -0.056 0.000 0.992 236 T CA 0.591 62.671 62.100 -0.033 0.000 4.077 236 T CB -0.659 68.189 68.868 -0.035 0.000 2.303 236 T HN 0.569 nan 8.240 nan 0.000 0.398 237 S N 0.210 115.872 115.700 -0.063 0.000 2.428 237 S HA -0.157 4.312 4.470 -0.002 0.000 0.240 237 S C 0.971 175.503 174.600 -0.115 0.000 1.036 237 S CA 2.204 60.353 58.200 -0.085 0.000 1.009 237 S CB -0.969 62.178 63.200 -0.087 0.000 0.803 237 S HN 0.878 nan 8.310 nan 0.000 0.486 238 T N 3.729 118.215 114.554 -0.113 0.000 2.734 238 T HA 0.059 4.408 4.350 -0.002 0.000 0.269 238 T C -0.195 174.402 174.700 -0.171 0.000 0.964 238 T CA 0.192 62.207 62.100 -0.142 0.000 1.226 238 T CB 0.225 69.021 68.868 -0.120 0.000 0.910 238 T HN 0.284 nan 8.240 nan 0.000 0.534 239 Q N 2.672 122.352 119.800 -0.199 0.000 2.267 239 Q HA 0.299 4.638 4.340 -0.002 0.000 0.255 239 Q C -0.419 175.428 176.000 -0.254 0.000 0.923 239 Q CA -0.263 55.404 55.803 -0.226 0.000 0.925 239 Q CB 1.664 30.280 28.738 -0.204 0.000 1.195 239 Q HN 0.429 nan 8.270 nan 0.000 0.417 240 V N 5.557 125.281 119.914 -0.317 0.000 2.383 240 V HA 0.336 4.455 4.120 -0.002 0.000 0.275 240 V C 0.104 176.076 176.094 -0.203 0.000 1.036 240 V CA -0.457 61.679 62.300 -0.273 0.000 0.889 240 V CB 1.060 32.673 31.823 -0.350 0.000 0.985 240 V HN 0.558 nan 8.190 nan 0.000 0.459 241 L N 4.842 125.984 121.223 -0.134 0.000 2.282 241 L HA 0.811 5.150 4.340 -0.002 0.000 0.288 241 L C 0.353 177.258 176.870 0.058 0.000 1.033 241 L CA -0.317 54.490 54.840 -0.054 0.000 0.807 241 L CB 1.567 43.565 42.059 -0.102 0.000 1.209 241 L HN 0.698 nan 8.230 nan 0.000 0.423 242 A N 5.227 128.105 122.820 0.098 0.000 2.325 242 A HA 0.840 5.159 4.320 -0.002 0.000 0.333 242 A C -2.525 175.111 177.584 0.085 0.000 1.155 242 A CA -1.743 50.363 52.037 0.116 0.000 0.814 242 A CB 0.805 19.841 19.000 0.061 0.000 1.206 242 A HN 0.416 nan 8.150 nan 0.000 0.482 243 P HA 0.323 nan 4.420 nan 0.000 0.271 243 P C -0.431 176.596 177.300 -0.455 0.000 1.216 243 P CA 0.180 62.963 63.100 -0.529 0.000 0.776 243 P CB 1.036 32.503 31.700 -0.389 0.000 0.881 244 V N -0.083 119.438 119.914 -0.656 0.000 3.007 244 V HA 0.594 4.712 4.120 -0.002 0.000 0.311 244 V C -1.407 174.398 176.094 -0.482 0.000 1.120 244 V CA -1.250 60.821 62.300 -0.383 0.000 0.980 244 V CB 1.859 33.586 31.823 -0.160 0.000 1.033 244 V HN 0.400 nan 8.190 nan 0.000 0.429 245 W N 1.967 123.230 121.300 -0.062 0.000 2.351 245 W HA 0.674 5.333 4.660 -0.002 0.000 0.311 245 W C 0.653 177.166 176.519 -0.010 0.000 1.168 245 W CA -0.526 56.825 57.345 0.011 0.000 1.200 245 W CB 1.211 30.706 29.460 0.059 0.000 1.221 245 W HN 0.431 nan 8.180 nan 0.000 0.519 246 R N 4.581 125.232 120.500 0.252 0.000 2.215 246 R HA 0.392 4.731 4.340 -0.002 0.000 0.337 246 R C -0.952 175.488 176.300 0.234 0.000 1.010 246 R CA -0.516 55.634 56.100 0.084 0.000 0.871 246 R CB 0.296 30.442 30.300 -0.257 0.000 1.134 246 R HN 0.611 nan 8.270 nan 0.000 0.477 247 I N 3.331 124.053 120.570 0.254 0.000 2.321 247 I HA 0.181 4.350 4.170 -0.002 0.000 0.291 247 I C 0.191 176.488 176.117 0.300 0.000 0.998 247 I CA -0.342 61.110 61.300 0.252 0.000 1.227 247 I CB 2.000 40.119 38.000 0.198 0.000 1.368 247 I HN 0.307 nan 8.210 nan 0.000 0.466 248 T N 5.938 120.631 114.554 0.232 0.000 2.795 248 T HA 0.517 4.866 4.350 -0.002 0.000 0.282 248 T C -0.225 174.529 174.700 0.091 0.000 0.980 248 T CA -0.452 61.725 62.100 0.128 0.000 1.012 248 T CB 1.786 70.737 68.868 0.137 0.000 0.936 248 T HN 0.185 nan 8.240 nan 0.000 0.457 249 V N 3.877 123.823 119.914 0.054 0.000 2.709 249 V HA 0.530 4.649 4.120 -0.002 0.000 0.308 249 V C -0.258 175.882 176.094 0.077 0.000 1.062 249 V CA -0.899 61.474 62.300 0.121 0.000 0.901 249 V CB 1.989 33.961 31.823 0.248 0.000 1.003 249 V HN 0.995 nan 8.190 nan 0.000 0.425 250 E N 4.709 124.966 120.200 0.095 0.000 2.336 250 E HA 0.816 5.165 4.350 -0.002 0.000 0.267 250 E C -1.676 175.035 176.600 0.186 0.000 0.906 250 E CA -0.746 55.688 56.400 0.057 0.000 0.781 250 E CB 2.942 32.613 29.700 -0.048 0.000 1.261 250 E HN 0.671 nan 8.360 nan 0.000 0.436 251 Y N -1.734 118.584 120.300 0.029 0.000 2.689 251 Y HA 0.529 5.078 4.550 -0.002 0.000 0.333 251 Y C -1.137 174.783 175.900 0.032 0.000 1.208 251 Y CA -1.328 56.803 58.100 0.051 0.000 1.055 251 Y CB 0.982 39.486 38.460 0.074 0.000 1.304 251 Y HN 0.326 nan 8.280 nan 0.000 0.455 252 E N 1.735 122.039 120.200 0.173 0.000 2.248 252 E HA 0.438 4.787 4.350 -0.002 0.000 0.272 252 E C -1.335 175.347 176.600 0.137 0.000 1.008 252 E CA -0.811 55.619 56.400 0.051 0.000 0.856 252 E CB 2.058 31.782 29.700 0.041 0.000 1.120 252 E HN 0.629 nan 8.360 nan 0.000 0.397 253 K N 1.599 122.022 120.400 0.040 0.000 2.580 253 K HA 0.145 4.464 4.320 -0.002 0.000 0.258 253 K C -1.199 175.415 176.600 0.022 0.000 0.936 253 K CA -0.472 55.862 56.287 0.077 0.000 0.852 253 K CB 1.132 33.699 32.500 0.111 0.000 1.329 253 K HN 0.221 nan 8.250 nan 0.000 0.430 254 K N 3.094 123.509 120.400 0.024 0.000 2.083 254 K HA 0.113 4.432 4.320 -0.002 0.000 0.246 254 K C -0.209 176.396 176.600 0.007 0.000 1.160 254 K CA -0.200 56.091 56.287 0.007 0.000 1.060 254 K CB 0.467 32.968 32.500 0.003 0.000 1.417 254 K HN 0.242 nan 8.250 nan 0.000 0.329 255 V N 5.241 125.154 119.914 -0.001 0.000 2.382 255 V HA -0.080 4.039 4.120 -0.002 0.000 0.250 255 V C 0.906 176.999 176.094 -0.002 0.000 1.069 255 V CA 0.306 62.605 62.300 -0.002 0.000 1.130 255 V CB -1.393 30.423 31.823 -0.012 0.000 1.165 255 V HN 0.932 nan 8.190 nan 0.000 0.483 256 N N 3.510 122.211 118.700 0.002 0.000 1.755 256 N HA -0.190 4.549 4.740 -0.002 0.000 0.158 256 N C 1.430 176.939 175.510 -0.001 0.000 0.881 256 N CA 1.304 54.354 53.050 0.001 0.000 0.957 256 N CB -1.033 37.453 38.487 -0.001 0.000 1.145 256 N HN 0.585 nan 8.380 nan 0.000 0.582 257 G N 0.239 109.038 108.800 -0.002 0.000 2.432 257 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.219 257 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.219 257 G C 0.188 175.084 174.900 -0.007 0.000 1.135 257 G CA 1.180 46.277 45.100 -0.004 0.000 0.767 257 G HN 0.639 nan 8.290 nan 0.000 0.550 258 E N 0.199 120.394 120.200 -0.008 0.000 2.354 258 E HA 0.357 4.706 4.350 -0.002 0.000 0.269 258 E C -0.088 176.504 176.600 -0.013 0.000 1.036 258 E CA -0.392 56.001 56.400 -0.011 0.000 0.876 258 E CB 1.276 30.969 29.700 -0.012 0.000 1.009 258 E HN 0.169 nan 8.360 nan 0.000 0.416 259 K N 2.601 122.992 120.400 -0.016 0.000 2.218 259 K HA 0.209 4.528 4.320 -0.002 0.000 0.276 259 K C -0.635 175.950 176.600 -0.026 0.000 1.022 259 K CA -0.274 56.002 56.287 -0.018 0.000 0.946 259 K CB 0.719 33.207 32.500 -0.021 0.000 1.000 259 K HN 0.274 nan 8.250 nan 0.000 0.468 260 K N 1.865 122.244 120.400 -0.035 0.000 2.546 260 K HA 0.200 4.519 4.320 -0.002 0.000 0.264 260 K C -1.470 175.077 176.600 -0.090 0.000 0.937 260 K CA -0.660 55.596 56.287 -0.053 0.000 0.833 260 K CB 2.222 34.692 32.500 -0.050 0.000 1.378 260 K HN 0.668 nan 8.250 nan 0.000 0.432 261 T N 2.335 116.831 114.554 -0.096 0.000 2.727 261 T HA 0.230 4.579 4.350 -0.002 0.000 0.295 261 T C -0.132 174.446 174.700 -0.203 0.000 0.915 261 T CA -0.338 61.677 62.100 -0.142 0.000 1.066 261 T CB 0.463 69.276 68.868 -0.092 0.000 0.891 261 T HN 0.178 nan 8.240 nan 0.000 0.516 262 V N 4.672 124.358 119.914 -0.380 0.000 2.713 262 V HA 0.415 4.534 4.120 -0.002 0.000 0.307 262 V C 0.007 175.846 176.094 -0.425 0.000 1.052 262 V CA -0.873 61.171 62.300 -0.427 0.000 0.967 262 V CB 1.822 33.277 31.823 -0.614 0.000 1.019 262 V HN 0.787 nan 8.190 nan 0.000 0.459 263 Q N 2.205 121.844 119.800 -0.267 0.000 2.353 263 Q HA 0.636 4.975 4.340 -0.002 0.000 0.268 263 Q C -1.108 174.681 176.000 -0.351 0.000 1.045 263 Q CA -0.593 55.035 55.803 -0.290 0.000 0.811 263 Q CB 2.999 31.572 28.738 -0.275 0.000 1.305 263 Q HN 0.684 nan 8.270 nan 0.000 0.447 264 E N 1.126 121.090 120.200 -0.393 0.000 2.277 264 E HA 0.507 4.856 4.350 -0.002 0.000 0.266 264 E C -1.572 174.607 176.600 -0.702 0.000 0.901 264 E CA -0.633 55.549 56.400 -0.364 0.000 0.782 264 E CB 1.578 31.276 29.700 -0.003 0.000 1.228 264 E HN 0.407 nan 8.360 nan 0.000 0.424 265 Y N 0.740 120.828 120.300 -0.353 0.000 2.512 265 Y HA 0.545 5.094 4.550 -0.001 0.000 0.348 265 Y C -0.755 174.804 175.900 -0.568 0.000 0.990 265 Y CA -0.826 57.130 58.100 -0.241 0.000 1.033 265 Y CB 1.247 39.657 38.460 -0.083 0.000 1.259 265 Y HN 0.360 nan 8.280 nan 0.000 0.461 266 F N -0.299 119.760 119.950 0.182 0.000 2.599 266 F HA 0.678 5.205 4.527 -0.001 0.000 0.311 266 F C -0.398 175.442 175.800 0.066 0.000 1.076 266 F CA -0.973 57.092 58.000 0.109 0.000 0.937 266 F CB 2.534 41.585 39.000 0.086 0.000 1.282 266 F HN 0.214 nan 8.300 nan 0.000 0.460 267 T N 2.214 116.899 114.554 0.219 0.000 2.864 267 T HA 0.570 4.919 4.350 -0.002 0.000 0.299 267 T C -0.955 173.827 174.700 0.136 0.000 1.011 267 T CA -0.524 61.639 62.100 0.104 0.000 0.975 267 T CB 1.235 70.102 68.868 -0.002 0.000 0.962 267 T HN 0.282 nan 8.240 nan 0.000 0.448 268 V N 4.198 124.206 119.914 0.157 0.000 2.513 268 V HA 0.404 4.523 4.120 -0.002 0.000 0.299 268 V C 0.504 176.682 176.094 0.140 0.000 1.035 268 V CA -1.154 61.239 62.300 0.155 0.000 0.889 268 V CB 1.782 33.713 31.823 0.179 0.000 0.988 268 V HN 0.789 nan 8.190 nan 0.000 0.440 269 N N 2.815 121.575 118.700 0.100 0.000 2.468 269 N HA 0.110 4.849 4.740 -0.002 0.000 0.265 269 N C 0.885 176.453 175.510 0.095 0.000 1.199 269 N CA 0.525 53.612 53.050 0.062 0.000 0.928 269 N CB 1.908 40.427 38.487 0.052 0.000 1.059 269 N HN 0.825 nan 8.380 nan 0.000 0.467 270 A N 5.142 127.971 122.820 0.016 0.000 2.016 270 A HA 0.062 4.380 4.320 -0.002 0.000 0.217 270 A C 1.205 178.833 177.584 0.073 0.000 1.162 270 A CA 0.345 52.404 52.037 0.037 0.000 0.662 270 A CB -0.094 18.732 19.000 -0.291 0.000 0.812 270 A HN 0.705 nan 8.150 nan 0.000 0.450 271 L N 1.522 122.765 121.223 0.034 0.000 2.530 271 L HA 0.056 4.395 4.340 -0.002 0.000 0.273 271 L C 0.473 177.370 176.870 0.045 0.000 1.141 271 L CA -0.165 54.699 54.840 0.041 0.000 0.905 271 L CB 0.337 42.419 42.059 0.039 0.000 1.202 271 L HN 0.436 nan 8.230 nan 0.000 0.473 272 E N 3.692 123.917 120.200 0.042 0.000 2.180 272 E HA 0.196 4.545 4.350 -0.002 0.000 0.283 272 E C -0.844 175.762 176.600 0.011 0.000 1.061 272 E CA -0.227 56.186 56.400 0.021 0.000 0.861 272 E CB 0.548 30.257 29.700 0.014 0.000 1.056 272 E HN 0.572 nan 8.360 nan 0.000 0.407 273 S N 2.059 117.761 115.700 0.004 0.000 2.357 273 S HA 0.108 4.577 4.470 -0.002 0.000 0.209 273 S C 0.132 174.728 174.600 -0.006 0.000 0.981 273 S CA -0.370 57.831 58.200 0.001 0.000 1.106 273 S CB 0.575 63.783 63.200 0.014 0.000 1.266 273 S HN 0.586 nan 8.310 nan 0.000 0.410 274 T N -0.320 114.223 114.554 -0.020 0.000 3.087 274 T HA 0.442 4.791 4.350 -0.002 0.000 0.237 274 T C 0.562 175.251 174.700 -0.018 0.000 0.990 274 T CA 0.088 62.174 62.100 -0.023 0.000 1.160 274 T CB -0.410 68.434 68.868 -0.040 0.000 0.923 274 T HN 0.600 nan 8.240 nan 0.000 0.442 275 I N 2.626 123.182 120.570 -0.023 0.000 2.331 275 I HA 0.448 4.617 4.170 -0.002 0.000 0.292 275 I C -0.524 175.589 176.117 -0.008 0.000 0.998 275 I CA -0.895 60.395 61.300 -0.016 0.000 1.267 275 I CB 1.463 39.451 38.000 -0.020 0.000 1.386 275 I HN 0.158 nan 8.210 nan 0.000 0.476 276 L N 4.965 126.187 121.223 -0.002 0.000 2.755 276 L HA 0.591 4.930 4.340 -0.002 0.000 0.243 276 L C -0.098 176.775 176.870 0.004 0.000 1.579 276 L CA -0.640 54.202 54.840 0.003 0.000 1.669 276 L CB 0.362 42.425 42.059 0.006 0.000 2.294 276 L HN 0.421 nan 8.230 nan 0.000 0.588 277 D N 0.000 120.404 120.400 0.006 0.000 6.856 277 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 277 D CA 0.000 54.004 54.000 0.007 0.000 0.868 277 D CB 0.000 40.805 40.800 0.009 0.000 0.688 277 D HN 0.000 nan 8.370 nan 0.000 0.683