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 2vb8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 nan 55.300 nan 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 K N 1.691 122.097 120.400 0.010 0.000 2.295 2 K HA 0.641 4.961 4.320 -0.000 0.000 0.270 2 K C -0.437 176.165 176.600 0.004 0.000 1.011 2 K CA -0.228 56.062 56.287 0.005 0.000 0.953 2 K CB 0.620 33.121 32.500 0.001 0.000 0.956 2 K HN 0.727 nan 8.250 nan 0.000 0.477 3 R N 0.289 120.789 120.500 -0.000 0.000 2.540 3 R HA 0.531 4.870 4.340 -0.000 0.000 0.287 3 R C -0.470 175.822 176.300 -0.014 0.000 0.980 3 R CA -0.640 55.458 56.100 -0.003 0.000 0.966 3 R CB 1.624 31.923 30.300 -0.003 0.000 1.106 3 R HN 0.660 nan 8.270 nan 0.000 0.480 4 A N 2.052 124.860 122.820 -0.019 0.000 2.331 4 A HA 0.640 4.960 4.320 -0.000 0.000 0.320 4 A C -0.496 177.065 177.584 -0.038 0.000 1.138 4 A CA -0.678 51.336 52.037 -0.038 0.000 0.790 4 A CB 1.149 20.120 19.000 -0.048 0.000 1.206 4 A HN 0.532 nan 8.150 nan 0.000 0.470 5 V N -0.020 119.866 119.914 -0.047 0.000 3.074 5 V HA 0.734 4.854 4.120 -0.000 0.000 0.314 5 V C -0.732 175.333 176.094 -0.048 0.000 1.117 5 V CA -1.079 61.196 62.300 -0.041 0.000 1.014 5 V CB 1.804 33.605 31.823 -0.037 0.000 1.057 5 V HN 0.621 nan 8.190 nan 0.000 0.438 6 I N 2.988 123.545 120.570 -0.023 0.000 2.321 6 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 6 I C 1.115 177.284 176.117 0.088 0.000 0.998 6 I CA 0.199 61.495 61.300 -0.007 0.000 1.227 6 I CB 1.183 39.166 38.000 -0.028 0.000 1.368 6 I HN 1.047 nan 8.210 nan 0.000 0.466 7 T N 1.166 115.760 114.554 0.066 0.000 3.040 7 T HA 0.482 4.832 4.350 -0.000 0.000 0.266 7 T C 0.532 175.366 174.700 0.223 0.000 1.005 7 T CA -0.302 61.860 62.100 0.103 0.000 0.906 7 T CB 0.481 69.359 68.868 0.017 0.000 1.082 7 T HN 0.753 nan 8.240 nan 0.000 0.531 8 G N 1.402 110.338 108.800 0.226 0.000 2.655 8 G HA2 0.543 4.503 3.960 -0.000 0.000 0.296 8 G HA3 0.543 4.503 3.960 -0.000 0.000 0.296 8 G C -1.975 172.950 174.900 0.042 0.000 1.485 8 G CA -0.945 44.290 45.100 0.224 0.000 0.869 8 G HN 0.634 nan 8.290 nan 0.000 0.540 9 L N -0.812 120.415 121.223 0.007 0.000 2.415 9 L HA 1.073 5.413 4.340 -0.000 0.000 0.256 9 L C 0.014 176.854 176.870 -0.049 0.000 1.010 9 L CA -0.945 53.832 54.840 -0.104 0.000 0.826 9 L CB 1.973 43.865 42.059 -0.277 0.000 1.405 9 L HN 1.194 nan 8.230 nan 0.000 0.410 10 G N 0.832 109.593 108.800 -0.066 0.000 2.706 10 G HA2 0.771 4.731 3.960 -0.000 0.000 0.297 10 G HA3 0.771 4.731 3.960 -0.000 0.000 0.297 10 G C -2.056 172.813 174.900 -0.051 0.000 1.403 10 G CA -0.651 44.422 45.100 -0.045 0.000 0.954 10 G HN 0.988 nan 8.290 nan 0.000 0.500 11 I N 0.726 121.280 120.570 -0.028 0.000 2.743 11 I HA 0.567 4.737 4.170 -0.000 0.000 0.292 11 I C -1.510 174.597 176.117 -0.016 0.000 1.343 11 I CA -0.889 60.392 61.300 -0.032 0.000 1.038 11 I CB 2.302 40.283 38.000 -0.032 0.000 1.311 11 I HN 0.348 nan 8.210 nan 0.000 0.426 12 V N 6.420 126.310 119.914 -0.039 0.000 2.409 12 V HA 0.617 4.737 4.120 -0.000 0.000 0.290 12 V C -0.318 175.687 176.094 -0.147 0.000 1.017 12 V CA -0.263 61.989 62.300 -0.079 0.000 0.841 12 V CB 1.390 33.168 31.823 -0.074 0.000 1.003 12 V HN 0.803 nan 8.190 nan 0.000 0.426 13 S N 2.146 117.784 115.700 -0.103 0.000 2.661 13 S HA 0.447 4.917 4.470 -0.000 0.000 0.285 13 S C 1.063 175.608 174.600 -0.091 0.000 1.138 13 S CA 0.059 58.213 58.200 -0.076 0.000 0.855 13 S CB 1.850 65.091 63.200 0.069 0.000 1.136 13 S HN 0.903 nan 8.310 nan 0.000 0.484 14 S N 0.572 116.224 115.700 -0.080 0.000 2.440 14 S HA -0.121 4.349 4.470 -0.000 0.000 0.238 14 S C 1.405 175.979 174.600 -0.044 0.000 1.010 14 S CA 1.179 59.334 58.200 -0.075 0.000 0.972 14 S CB -1.146 62.023 63.200 -0.052 0.000 0.774 14 S HN 1.083 nan 8.310 nan 0.000 0.501 15 I N -2.637 117.914 120.570 -0.031 0.000 3.974 15 I HA 0.677 4.847 4.170 -0.000 0.000 0.334 15 I C 0.558 176.657 176.117 -0.030 0.000 1.437 15 I CA -0.336 60.938 61.300 -0.044 0.000 1.113 15 I CB 0.320 38.264 38.000 -0.094 0.000 1.063 15 I HN 0.292 nan 8.210 nan 0.000 0.400 16 G N 0.943 109.732 108.800 -0.018 0.000 2.386 16 G HA2 0.052 4.012 3.960 -0.000 0.000 0.302 16 G HA3 0.052 4.012 3.960 -0.000 0.000 0.302 16 G C -0.877 174.016 174.900 -0.012 0.000 1.629 16 G CA -0.646 44.447 45.100 -0.012 0.000 0.917 16 G HN -0.013 nan 8.290 nan 0.000 0.676 17 N N 0.119 118.813 118.700 -0.011 0.000 2.270 17 N HA 0.117 4.857 4.740 -0.000 0.000 0.198 17 N C 0.345 175.858 175.510 0.006 0.000 1.117 17 N CA 0.637 53.681 53.050 -0.010 0.000 0.845 17 N CB 0.302 38.787 38.487 -0.004 0.000 0.980 17 N HN 0.822 nan 8.380 nan 0.000 0.486 18 N N -1.704 117.002 118.700 0.010 0.000 3.227 18 N HA -0.030 4.710 4.740 -0.000 0.000 0.241 18 N C 0.304 175.829 175.510 0.025 0.000 1.480 18 N CA -0.662 52.398 53.050 0.018 0.000 0.886 18 N CB 0.461 38.959 38.487 0.018 0.000 1.406 18 N HN -0.148 nan 8.380 nan 0.000 0.514 19 Q N -1.538 118.282 119.800 0.033 0.000 2.224 19 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 19 Q C 0.928 176.944 176.000 0.026 0.000 0.970 19 Q CA 1.394 57.226 55.803 0.048 0.000 0.865 19 Q CB -0.245 28.536 28.738 0.072 0.000 0.922 19 Q HN 0.544 nan 8.270 nan 0.000 0.445 20 Q N 1.031 120.836 119.800 0.009 0.000 2.046 20 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 20 Q C 1.877 177.853 176.000 -0.039 0.000 0.975 20 Q CA 1.831 57.619 55.803 -0.025 0.000 0.836 20 Q CB -0.275 28.452 28.738 -0.018 0.000 0.896 20 Q HN 0.727 nan 8.270 nan 0.000 0.428 21 E N -0.134 120.053 120.200 -0.021 0.000 2.077 21 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 21 E C 2.118 178.699 176.600 -0.030 0.000 0.989 21 E CA 1.370 57.754 56.400 -0.028 0.000 0.800 21 E CB -0.152 29.538 29.700 -0.017 0.000 0.746 21 E HN 0.238 nan 8.360 nan 0.000 0.452 22 V N 1.492 121.405 119.914 -0.003 0.000 2.343 22 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 22 V C 2.314 178.399 176.094 -0.014 0.000 1.051 22 V CA 1.421 63.729 62.300 0.014 0.000 1.036 22 V CB -0.373 31.519 31.823 0.115 0.000 0.654 22 V HN 0.234 nan 8.190 nan 0.000 0.451 23 L N 0.990 122.200 121.223 -0.021 0.000 2.042 23 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 23 L C 2.410 179.180 176.870 -0.166 0.000 1.076 23 L CA 2.546 57.337 54.840 -0.081 0.000 0.749 23 L CB -0.938 41.005 42.059 -0.192 0.000 0.893 23 L HN 0.223 nan 8.230 nan 0.000 0.432 24 A N -1.560 121.174 122.820 -0.143 0.000 1.898 24 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 24 A C 2.384 179.891 177.584 -0.129 0.000 1.181 24 A CA 1.887 53.835 52.037 -0.150 0.000 0.620 24 A CB -0.956 17.980 19.000 -0.107 0.000 0.819 24 A HN 0.533 nan 8.150 nan 0.000 0.442 25 S N -0.162 115.479 115.700 -0.099 0.000 2.368 25 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 25 S C 1.823 176.364 174.600 -0.097 0.000 1.030 25 S CA 1.380 59.525 58.200 -0.092 0.000 0.999 25 S CB -0.419 62.727 63.200 -0.090 0.000 0.844 25 S HN 0.503 nan 8.310 nan 0.000 0.459 26 L N 0.763 121.932 121.223 -0.090 0.000 2.056 26 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 26 L C 2.653 179.534 176.870 0.019 0.000 1.078 26 L CA 1.206 56.038 54.840 -0.013 0.000 0.749 26 L CB -0.374 41.768 42.059 0.138 0.000 0.901 26 L HN 0.205 nan 8.230 nan 0.000 0.433 27 R N -0.512 119.882 120.500 -0.176 0.000 2.115 27 R HA -0.112 4.228 4.340 -0.000 0.000 0.230 27 R C 2.064 178.281 176.300 -0.139 0.000 1.111 27 R CA 1.246 57.172 56.100 -0.291 0.000 0.976 27 R CB -0.105 29.891 30.300 -0.507 0.000 0.870 27 R HN 0.227 nan 8.270 nan 0.000 0.445 28 E N -0.686 119.448 120.200 -0.110 0.000 2.478 28 E HA 0.099 4.449 4.350 -0.000 0.000 0.194 28 E C 0.979 177.551 176.600 -0.048 0.000 1.045 28 E CA 0.396 56.752 56.400 -0.074 0.000 0.868 28 E CB 0.575 30.232 29.700 -0.071 0.000 0.885 28 E HN 0.671 nan 8.360 nan 0.000 0.505 29 G N 2.091 110.866 108.800 -0.041 0.000 2.249 29 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.273 29 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.273 29 G C 0.238 175.115 174.900 -0.038 0.000 1.036 29 G CA 0.603 45.684 45.100 -0.031 0.000 0.824 29 G HN 0.375 nan 8.290 nan 0.000 0.504 30 R N 0.418 120.888 120.500 -0.049 0.000 2.298 30 R HA 0.450 4.790 4.340 -0.000 0.000 0.310 30 R C 0.790 177.065 176.300 -0.042 0.000 1.068 30 R CA 0.226 56.301 56.100 -0.041 0.000 0.957 30 R CB 0.503 30.776 30.300 -0.045 0.000 1.003 30 R HN 0.251 nan 8.270 nan 0.000 0.454 31 S N 2.043 117.729 115.700 -0.024 0.000 2.549 31 S HA 0.147 4.617 4.470 -0.000 0.000 0.283 31 S C 1.002 175.600 174.600 -0.004 0.000 1.320 31 S CA -0.080 58.112 58.200 -0.013 0.000 1.058 31 S CB 1.040 64.243 63.200 0.005 0.000 0.882 31 S HN 0.783 nan 8.310 nan 0.000 0.498 32 G N 4.166 112.964 108.800 -0.003 0.000 3.337 32 G HA2 0.235 4.195 3.960 -0.000 0.000 0.246 32 G HA3 0.235 4.195 3.960 -0.000 0.000 0.246 32 G C 0.101 175.029 174.900 0.048 0.000 1.131 32 G CA -0.244 44.861 45.100 0.008 0.000 0.773 32 G HN 0.605 nan 8.290 nan 0.000 0.544 33 I N 2.490 123.102 120.570 0.071 0.000 2.365 33 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 33 I C 0.553 176.768 176.117 0.162 0.000 1.004 33 I CA -0.495 60.881 61.300 0.127 0.000 1.311 33 I CB 0.616 38.683 38.000 0.111 0.000 1.401 33 I HN 0.053 nan 8.210 nan 0.000 0.491 34 T N 2.546 117.251 114.554 0.252 0.000 2.901 34 T HA 0.535 4.885 4.350 -0.000 0.000 0.293 34 T C -0.433 174.417 174.700 0.250 0.000 1.084 34 T CA -0.730 61.527 62.100 0.262 0.000 1.008 34 T CB 1.763 70.805 68.868 0.291 0.000 1.170 34 T HN 0.205 nan 8.240 nan 0.000 0.509 35 F N 1.764 121.762 119.950 0.081 0.000 2.529 35 F HA 0.495 5.022 4.527 -0.000 0.000 0.365 35 F C 0.537 176.253 175.800 -0.140 0.000 1.102 35 F CA 0.042 58.037 58.000 -0.009 0.000 1.271 35 F CB 0.729 39.732 39.000 0.005 0.000 1.120 35 F HN 0.678 nan 8.300 nan 0.000 0.579 36 S N 4.916 119.783 115.700 -1.388 0.000 2.566 36 S HA 0.195 4.665 4.470 -0.000 0.000 0.324 36 S C 0.531 174.290 174.600 -1.402 0.000 1.081 36 S CA -0.685 56.659 58.200 -1.427 0.000 1.105 36 S CB 1.302 63.204 63.200 -2.164 0.000 0.981 36 S HN 0.877 nan 8.310 nan 0.000 0.464 37 Q N 3.424 122.763 119.800 -0.768 0.000 2.170 37 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 37 Q C 1.759 177.545 176.000 -0.356 0.000 0.976 37 Q CA 2.289 57.879 55.803 -0.355 0.000 0.858 37 Q CB -0.155 28.583 28.738 -0.001 0.000 0.907 37 Q HN 0.915 nan 8.270 nan 0.000 0.433 38 E N -0.419 119.563 120.200 -0.363 0.000 2.038 38 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 38 E C 1.801 178.226 176.600 -0.290 0.000 1.000 38 E CA 1.529 57.790 56.400 -0.231 0.000 0.803 38 E CB -0.242 29.430 29.700 -0.047 0.000 0.750 38 E HN 0.473 nan 8.360 nan 0.000 0.448 39 L N 0.569 121.505 121.223 -0.478 0.000 2.046 39 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 39 L C 2.892 179.591 176.870 -0.284 0.000 1.077 39 L CA 1.545 56.208 54.840 -0.295 0.000 0.747 39 L CB -0.574 41.286 42.059 -0.332 0.000 0.896 39 L HN 0.174 nan 8.230 nan 0.000 0.432 40 K N 0.339 120.441 120.400 -0.496 0.000 2.026 40 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 40 K C 1.693 178.076 176.600 -0.363 0.000 1.048 40 K CA 1.869 57.767 56.287 -0.648 0.000 0.929 40 K CB -0.005 32.053 32.500 -0.736 0.000 0.713 40 K HN 0.195 nan 8.250 nan 0.000 0.439 41 D N 0.158 120.378 120.400 -0.300 0.000 2.218 41 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 41 D C 1.867 177.988 176.300 -0.298 0.000 0.976 41 D CA 1.470 55.322 54.000 -0.245 0.000 0.853 41 D CB -0.135 40.539 40.800 -0.210 0.000 0.939 41 D HN 0.353 nan 8.370 nan 0.000 0.481 42 S N -0.928 114.558 115.700 -0.356 0.000 2.515 42 S HA 0.129 4.599 4.470 -0.000 0.000 0.231 42 S C 1.742 176.173 174.600 -0.281 0.000 0.987 42 S CA 0.971 58.878 58.200 -0.489 0.000 0.936 42 S CB 0.167 63.060 63.200 -0.511 0.000 0.766 42 S HN 0.320 nan 8.310 nan 0.000 0.528 43 G N 0.495 109.193 108.800 -0.171 0.000 2.159 43 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.227 43 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.227 43 G C 0.018 174.921 174.900 0.004 0.000 0.986 43 G CA 0.110 45.162 45.100 -0.080 0.000 0.651 43 G HN 0.491 nan 8.290 nan 0.000 0.523 44 M N -0.539 119.080 119.600 0.030 0.000 2.198 44 M HA 0.405 4.885 4.480 -0.000 0.000 0.315 44 M C 1.861 178.265 176.300 0.174 0.000 1.134 44 M CA 0.096 55.455 55.300 0.100 0.000 1.171 44 M CB 0.514 33.182 32.600 0.113 0.000 1.413 44 M HN 0.157 nan 8.290 nan 0.000 0.467 45 R N -0.397 120.148 120.500 0.076 0.000 2.189 45 R HA 0.105 4.445 4.340 -0.000 0.000 0.203 45 R C 0.451 176.605 176.300 -0.243 0.000 1.012 45 R CA 0.187 56.262 56.100 -0.042 0.000 1.015 45 R CB 0.274 30.548 30.300 -0.043 0.000 0.938 45 R HN 0.562 nan 8.270 nan 0.000 0.472 46 S N 0.468 116.110 115.700 -0.096 0.000 2.465 46 S HA 0.108 4.577 4.470 -0.000 0.000 0.279 46 S C -0.124 174.467 174.600 -0.015 0.000 1.201 46 S CA -0.519 57.612 58.200 -0.115 0.000 1.053 46 S CB 0.274 63.441 63.200 -0.055 0.000 0.953 46 S HN 0.343 nan 8.310 nan 0.000 0.488 47 H N 2.876 121.886 119.070 -0.100 0.000 2.475 47 H HA 0.349 4.905 4.556 -0.000 0.000 0.276 47 H C -0.087 175.020 175.328 -0.369 0.000 1.126 47 H CA -0.652 55.231 56.048 -0.275 0.000 1.023 47 H CB 0.448 30.105 29.762 -0.175 0.000 1.669 47 H HN 0.441 nan 8.280 nan 0.000 0.573 48 V N -1.738 118.117 119.914 -0.098 0.000 2.914 48 V HA 0.638 4.757 4.120 -0.000 0.000 0.314 48 V C -1.340 174.814 176.094 0.100 0.000 1.084 48 V CA -0.975 61.304 62.300 -0.034 0.000 0.963 48 V CB 2.181 34.059 31.823 0.092 0.000 1.025 48 V HN 0.400 nan 8.190 nan 0.000 0.432 49 W N 1.145 122.454 121.300 0.015 0.000 3.146 49 W HA 0.822 5.482 4.660 -0.000 0.000 0.319 49 W C -0.315 176.222 176.519 0.030 0.000 1.258 49 W CA -1.737 55.623 57.345 0.024 0.000 1.189 49 W CB 0.916 30.387 29.460 0.017 0.000 1.412 49 W HN 1.035 nan 8.180 nan 0.000 0.567 50 G N 3.663 112.585 108.800 0.203 0.000 2.857 50 G HA2 0.316 4.276 3.960 -0.000 0.000 0.326 50 G HA3 0.316 4.276 3.960 -0.000 0.000 0.326 50 G C -0.321 174.464 174.900 -0.191 0.000 0.950 50 G CA -0.637 44.480 45.100 0.028 0.000 1.400 50 G HN 0.575 nan 8.290 nan 0.000 0.473 51 N N 1.111 119.618 118.700 -0.321 0.000 2.515 51 N HA 0.202 4.942 4.740 -0.000 0.000 0.279 51 N C -0.277 175.052 175.510 -0.302 0.000 1.164 51 N CA -0.604 52.127 53.050 -0.532 0.000 0.982 51 N CB 1.990 40.063 38.487 -0.690 0.000 1.170 51 N HN -0.030 nan 8.380 nan 0.000 0.474 52 V N 1.488 121.200 119.914 -0.337 0.000 2.470 52 V HA 0.054 4.174 4.120 -0.000 0.000 0.276 52 V C 0.371 176.382 176.094 -0.139 0.000 1.040 52 V CA -0.256 61.879 62.300 -0.276 0.000 1.008 52 V CB -0.025 31.516 31.823 -0.471 0.000 0.990 52 V HN 0.595 nan 8.190 nan 0.000 0.477 53 K N 5.492 125.841 120.400 -0.086 0.000 2.265 53 K HA 0.583 4.903 4.320 -0.000 0.000 0.242 53 K C -0.931 175.663 176.600 -0.010 0.000 1.137 53 K CA -0.003 56.268 56.287 -0.027 0.000 1.082 53 K CB 0.387 32.881 32.500 -0.009 0.000 1.731 53 K HN 0.466 nan 8.250 nan 0.000 0.392 54 L N 0.786 122.012 121.223 0.006 0.000 2.588 54 L HA 0.326 4.666 4.340 -0.000 0.000 0.263 54 L C -1.769 175.129 176.870 0.048 0.000 0.935 54 L CA -0.562 54.294 54.840 0.027 0.000 0.891 54 L CB 1.971 44.048 42.059 0.030 0.000 1.318 54 L HN 0.214 nan 8.230 nan 0.000 0.409 55 D N 2.132 122.556 120.400 0.041 0.000 2.336 55 D HA 0.207 4.847 4.640 -0.000 0.000 0.249 55 D C 0.990 177.315 176.300 0.042 0.000 1.213 55 D CA 0.525 54.549 54.000 0.040 0.000 0.870 55 D CB 1.301 42.120 40.800 0.030 0.000 1.076 55 D HN 0.685 nan 8.370 nan 0.000 0.483 56 T N -0.126 114.456 114.554 0.047 0.000 3.129 56 T HA 0.026 4.376 4.350 -0.000 0.000 0.251 56 T C 0.732 175.435 174.700 0.005 0.000 1.117 56 T CA -0.334 61.789 62.100 0.039 0.000 1.034 56 T CB -0.471 68.427 68.868 0.049 0.000 0.968 56 T HN 0.267 nan 8.240 nan 0.000 0.526 57 T N 2.529 117.084 114.554 0.002 0.000 2.866 57 T HA 0.380 4.730 4.350 -0.000 0.000 0.293 57 T C 1.579 176.269 174.700 -0.017 0.000 1.005 57 T CA 0.789 62.880 62.100 -0.014 0.000 1.162 57 T CB -0.060 68.804 68.868 -0.007 0.000 0.968 57 T HN 0.753 nan 8.240 nan 0.000 0.530 58 G N 2.608 111.387 108.800 -0.036 0.000 2.189 58 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 58 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 58 G C 0.840 175.724 174.900 -0.026 0.000 0.975 58 G CA 0.367 45.446 45.100 -0.035 0.000 0.644 58 G HN 0.703 nan 8.290 nan 0.000 0.537 59 L N -0.447 120.764 121.223 -0.019 0.000 2.395 59 L HA 0.326 4.666 4.340 -0.000 0.000 0.218 59 L C 1.217 178.083 176.870 -0.006 0.000 1.130 59 L CA 0.754 55.600 54.840 0.010 0.000 0.826 59 L CB -0.072 42.013 42.059 0.044 0.000 0.941 59 L HN 0.306 nan 8.230 nan 0.000 0.451 60 I N -1.097 119.416 120.570 -0.096 0.000 2.545 60 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 60 I C -0.712 175.288 176.117 -0.195 0.000 1.040 60 I CA -1.046 60.122 61.300 -0.219 0.000 1.068 60 I CB 1.996 39.717 38.000 -0.466 0.000 1.251 60 I HN -0.192 nan 8.210 nan 0.000 0.424 61 D N 3.832 124.126 120.400 -0.177 0.000 2.571 61 D HA -0.005 4.635 4.640 -0.000 0.000 0.231 61 D C 1.476 177.679 176.300 -0.163 0.000 1.133 61 D CA 0.356 54.277 54.000 -0.132 0.000 0.862 61 D CB 0.784 41.521 40.800 -0.104 0.000 1.179 61 D HN 0.686 nan 8.370 nan 0.000 0.474 62 R N 3.949 124.369 120.500 -0.134 0.000 2.103 62 R HA -0.219 4.121 4.340 -0.000 0.000 0.242 62 R C 1.826 178.010 176.300 -0.193 0.000 1.142 62 R CA 1.724 57.729 56.100 -0.158 0.000 0.960 62 R CB -0.978 29.250 30.300 -0.121 0.000 0.858 62 R HN 0.501 nan 8.270 nan 0.000 0.439 63 K N -0.018 120.299 120.400 -0.138 0.000 2.366 63 K HA 0.065 4.385 4.320 -0.000 0.000 0.198 63 K C 1.970 178.539 176.600 -0.052 0.000 1.044 63 K CA 1.065 57.286 56.287 -0.110 0.000 0.973 63 K CB 0.249 32.731 32.500 -0.030 0.000 0.767 63 K HN 0.311 nan 8.250 nan 0.000 0.475 64 V N 0.175 120.028 119.914 -0.101 0.000 2.492 64 V HA -0.098 4.022 4.120 -0.000 0.000 0.241 64 V C 1.973 177.971 176.094 -0.159 0.000 1.041 64 V CA 0.852 63.098 62.300 -0.089 0.000 1.057 64 V CB 0.275 31.963 31.823 -0.225 0.000 0.711 64 V HN 0.037 nan 8.190 nan 0.000 0.468 65 V N 2.302 122.047 119.914 -0.282 0.000 2.809 65 V HA -0.165 3.955 4.120 -0.000 0.000 0.256 65 V C 2.749 178.628 176.094 -0.358 0.000 1.080 65 V CA 1.912 64.022 62.300 -0.317 0.000 1.102 65 V CB -0.641 30.998 31.823 -0.306 0.000 0.705 65 V HN 0.693 nan 8.190 nan 0.000 0.475 66 R N -0.999 119.206 120.500 -0.492 0.000 2.193 66 R HA -0.143 4.197 4.340 -0.000 0.000 0.229 66 R C 1.755 177.470 176.300 -0.975 0.000 1.110 66 R CA 1.990 57.582 56.100 -0.848 0.000 0.988 66 R CB -0.711 28.861 30.300 -1.214 0.000 0.871 66 R HN 0.492 nan 8.270 nan 0.000 0.458 67 F N 0.929 120.608 119.950 -0.452 0.000 2.789 67 F HA 0.329 4.856 4.527 0.000 0.000 0.300 67 F C 0.915 176.558 175.800 -0.263 0.000 1.132 67 F CA 0.099 57.940 58.000 -0.265 0.000 1.404 67 F CB 0.160 39.077 39.000 -0.139 0.000 1.114 67 F HN -0.111 nan 8.300 nan 0.000 0.584 68 M N -0.012 119.478 119.600 -0.183 0.000 2.300 68 M HA 0.293 4.773 4.480 -0.000 0.000 0.348 68 M C 0.478 176.605 176.300 -0.288 0.000 1.151 68 M CA -0.649 54.538 55.300 -0.188 0.000 1.046 68 M CB 1.674 34.161 32.600 -0.189 0.000 1.647 68 M HN -0.005 nan 8.290 nan 0.000 0.451 69 S N 0.409 115.980 115.700 -0.215 0.000 2.686 69 S HA 0.258 4.728 4.470 -0.000 0.000 0.270 69 S C 0.387 174.907 174.600 -0.133 0.000 1.194 69 S CA -0.688 57.441 58.200 -0.117 0.000 0.990 69 S CB 0.843 64.065 63.200 0.036 0.000 1.029 69 S HN 0.662 nan 8.310 nan 0.000 0.560 70 D N 0.939 121.257 120.400 -0.136 0.000 2.178 70 D HA -0.004 4.636 4.640 -0.000 0.000 0.201 70 D C 2.180 178.138 176.300 -0.569 0.000 0.980 70 D CA 1.624 55.349 54.000 -0.458 0.000 0.842 70 D CB -0.904 39.606 40.800 -0.484 0.000 0.948 70 D HN 0.661 nan 8.370 nan 0.000 0.472 71 A N 0.545 123.244 122.820 -0.201 0.000 1.883 71 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 71 A C 2.435 180.007 177.584 -0.020 0.000 1.186 71 A CA 1.997 54.015 52.037 -0.033 0.000 0.624 71 A CB -0.636 18.388 19.000 0.041 0.000 0.822 71 A HN 0.182 nan 8.150 nan 0.000 0.444 72 S N -0.335 115.340 115.700 -0.042 0.000 2.402 72 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 72 S C 1.771 176.385 174.600 0.023 0.000 1.021 72 S CA 1.314 59.522 58.200 0.013 0.000 0.974 72 S CB -0.478 62.719 63.200 -0.004 0.000 0.800 72 S HN 0.537 nan 8.310 nan 0.000 0.484 73 I N 0.376 120.873 120.570 -0.121 0.000 2.179 73 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 73 I C 2.037 178.213 176.117 0.098 0.000 1.088 73 I CA 1.323 62.565 61.300 -0.096 0.000 1.357 73 I CB -0.427 37.424 38.000 -0.249 0.000 1.051 73 I HN 0.258 nan 8.210 nan 0.000 0.409 74 Y N 0.785 121.125 120.300 0.067 0.000 2.181 74 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 74 Y C 2.650 178.595 175.900 0.075 0.000 1.146 74 Y CA 0.689 58.822 58.100 0.056 0.000 1.164 74 Y CB -1.342 37.130 38.460 0.020 0.000 0.982 74 Y HN 0.117 nan 8.280 nan 0.000 0.515 75 A N -0.536 122.427 122.820 0.238 0.000 1.930 75 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 75 A C 2.173 179.859 177.584 0.169 0.000 1.175 75 A CA 1.266 53.396 52.037 0.154 0.000 0.627 75 A CB -1.281 17.789 19.000 0.117 0.000 0.815 75 A HN 0.425 nan 8.150 nan 0.000 0.443 76 F N 0.592 120.602 119.950 0.099 0.000 2.134 76 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 76 F C 1.890 177.789 175.800 0.163 0.000 1.097 76 F CA 1.657 59.761 58.000 0.174 0.000 1.264 76 F CB -0.203 38.862 39.000 0.108 0.000 1.001 76 F HN 0.134 nan 8.300 nan 0.000 0.479 77 L N -0.789 120.663 121.223 0.381 0.000 2.046 77 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 77 L C 2.512 179.431 176.870 0.081 0.000 1.077 77 L CA 1.373 56.360 54.840 0.244 0.000 0.747 77 L CB -0.966 41.232 42.059 0.233 0.000 0.896 77 L HN 0.054 nan 8.230 nan 0.000 0.432 78 S N -0.294 115.443 115.700 0.062 0.000 2.382 78 S HA -0.235 4.235 4.470 -0.000 0.000 0.228 78 S C 1.930 176.468 174.600 -0.103 0.000 1.027 78 S CA 1.680 59.873 58.200 -0.012 0.000 0.991 78 S CB -0.246 62.950 63.200 -0.006 0.000 0.823 78 S HN 0.364 nan 8.310 nan 0.000 0.469 79 M N 1.440 120.922 119.600 -0.196 0.000 2.175 79 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 79 M C 1.958 177.951 176.300 -0.512 0.000 1.063 79 M CA 1.416 56.436 55.300 -0.467 0.000 1.119 79 M CB -0.157 31.972 32.600 -0.785 0.000 1.377 79 M HN 0.225 nan 8.290 nan 0.000 0.415 80 E N -0.046 119.967 120.200 -0.312 0.000 2.070 80 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 80 E C 2.043 178.579 176.600 -0.108 0.000 1.004 80 E CA 1.948 58.257 56.400 -0.151 0.000 0.805 80 E CB -0.233 29.462 29.700 -0.009 0.000 0.744 80 E HN 0.682 nan 8.360 nan 0.000 0.451 81 Q N 0.006 119.765 119.800 -0.069 0.000 2.096 81 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 81 Q C 2.211 178.188 176.000 -0.038 0.000 0.982 81 Q CA 1.401 57.187 55.803 -0.030 0.000 0.850 81 Q CB -0.185 28.547 28.738 -0.010 0.000 0.901 81 Q HN 0.240 nan 8.270 nan 0.000 0.422 82 A N 0.801 123.574 122.820 -0.079 0.000 1.898 82 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 82 A C 2.047 179.617 177.584 -0.025 0.000 1.181 82 A CA 1.084 53.097 52.037 -0.040 0.000 0.620 82 A CB -0.597 18.376 19.000 -0.045 0.000 0.819 82 A HN 0.297 nan 8.150 nan 0.000 0.442 83 I N -0.198 120.292 120.570 -0.133 0.000 2.208 83 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 83 I C 2.957 179.061 176.117 -0.023 0.000 1.097 83 I CA 1.171 62.390 61.300 -0.134 0.000 1.363 83 I CB -0.250 37.518 38.000 -0.387 0.000 1.051 83 I HN 0.362 nan 8.210 nan 0.000 0.413 84 A N 0.052 122.863 122.820 -0.014 0.000 1.898 84 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 84 A C 2.007 179.616 177.584 0.042 0.000 1.181 84 A CA 2.208 54.261 52.037 0.026 0.000 0.620 84 A CB -0.672 18.342 19.000 0.024 0.000 0.819 84 A HN 0.437 nan 8.150 nan 0.000 0.442 85 D N -0.128 120.302 120.400 0.051 0.000 2.144 85 D HA -0.005 4.635 4.640 -0.000 0.000 0.199 85 D C 1.866 178.234 176.300 0.112 0.000 0.984 85 D CA 1.448 55.503 54.000 0.093 0.000 0.834 85 D CB -0.178 40.702 40.800 0.133 0.000 0.955 85 D HN 0.328 nan 8.370 nan 0.000 0.465 86 A N -0.696 122.182 122.820 0.097 0.000 2.167 86 A HA 0.357 4.677 4.320 -0.000 0.000 0.214 86 A C 1.794 179.424 177.584 0.076 0.000 1.151 86 A CA 1.117 53.210 52.037 0.093 0.000 0.735 86 A CB -0.630 18.407 19.000 0.063 0.000 0.802 86 A HN 0.483 nan 8.150 nan 0.000 0.467 87 G N -1.037 107.804 108.800 0.069 0.000 2.198 87 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.257 87 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.257 87 G C -0.107 174.844 174.900 0.085 0.000 1.042 87 G CA 0.330 45.469 45.100 0.064 0.000 0.791 87 G HN 0.463 nan 8.290 nan 0.000 0.502 88 L N 1.796 123.086 121.223 0.112 0.000 2.257 88 L HA 0.518 4.858 4.340 -0.000 0.000 0.290 88 L C 1.250 178.270 176.870 0.250 0.000 1.044 88 L CA -0.290 54.661 54.840 0.186 0.000 0.810 88 L CB 1.495 43.685 42.059 0.219 0.000 1.193 88 L HN 0.430 nan 8.230 nan 0.000 0.425 89 S N 2.816 118.638 115.700 0.203 0.000 2.603 89 S HA 0.316 4.786 4.470 -0.000 0.000 0.268 89 S C -1.871 172.820 174.600 0.151 0.000 1.317 89 S CA -1.128 57.168 58.200 0.159 0.000 1.012 89 S CB 1.081 64.327 63.200 0.077 0.000 0.926 89 S HN 0.374 nan 8.310 nan 0.000 0.539 90 P HA -0.109 nan 4.420 nan 0.000 0.216 90 P C 0.997 178.098 177.300 -0.332 0.000 1.153 90 P CA 1.326 64.263 63.100 -0.272 0.000 0.858 90 P CB -0.039 31.582 31.700 -0.131 0.000 0.789 91 E N -0.615 119.505 120.200 -0.133 0.000 2.204 91 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 91 E C 2.071 178.632 176.600 -0.064 0.000 0.990 91 E CA 1.355 57.696 56.400 -0.098 0.000 0.821 91 E CB -1.025 28.650 29.700 -0.041 0.000 0.750 91 E HN 0.192 nan 8.360 nan 0.000 0.477 92 A N 0.090 122.911 122.820 0.002 0.000 1.929 92 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 92 A C 1.881 179.546 177.584 0.136 0.000 1.176 92 A CA 1.545 53.638 52.037 0.093 0.000 0.628 92 A CB -0.456 18.641 19.000 0.162 0.000 0.816 92 A HN 0.524 nan 8.150 nan 0.000 0.444 93 Y N -1.782 118.562 120.300 0.073 0.000 2.430 93 Y HA 0.449 4.999 4.550 -0.000 0.000 0.254 93 Y C 0.659 176.595 175.900 0.060 0.000 1.088 93 Y CA -0.633 57.528 58.100 0.102 0.000 1.267 93 Y CB -0.163 38.431 38.460 0.224 0.000 1.204 93 Y HN 0.197 nan 8.280 nan 0.000 0.515 94 Q N 1.915 121.385 119.800 -0.551 0.000 2.306 94 Q HA 0.199 4.539 4.340 -0.000 0.000 0.241 94 Q C -0.248 175.564 176.000 -0.314 0.000 0.948 94 Q CA -0.432 55.119 55.803 -0.420 0.000 0.886 94 Q CB 0.456 28.894 28.738 -0.500 0.000 1.227 94 Q HN 0.334 nan 8.270 nan 0.000 0.457 95 N N 1.820 120.231 118.700 -0.481 0.000 2.727 95 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 95 N C -1.229 174.025 175.510 -0.427 0.000 1.048 95 N CA 0.786 53.323 53.050 -0.857 0.000 0.714 95 N CB -1.069 37.156 38.487 -0.437 0.000 0.959 95 N HN 0.567 nan 8.380 nan 0.000 0.544 96 N N -0.051 118.517 118.700 -0.220 0.000 2.531 96 N HA 0.335 5.075 4.740 -0.000 0.000 0.268 96 N C -2.091 173.470 175.510 0.085 0.000 1.023 96 N CA -1.827 51.214 53.050 -0.015 0.000 0.896 96 N CB 1.597 40.087 38.487 0.005 0.000 1.233 96 N HN -0.195 nan 8.380 nan 0.000 0.512 97 P HA -0.002 nan 4.420 nan 0.000 0.223 97 P C 0.651 177.989 177.300 0.062 0.000 1.144 97 P CA 0.860 64.031 63.100 0.119 0.000 0.783 97 P CB 0.368 32.122 31.700 0.091 0.000 0.771 98 R N -1.029 119.492 120.500 0.035 0.000 2.334 98 R HA 0.198 4.538 4.340 -0.000 0.000 0.220 98 R C -0.081 176.192 176.300 -0.044 0.000 0.917 98 R CA 0.105 56.198 56.100 -0.012 0.000 1.073 98 R CB 0.050 30.332 30.300 -0.029 0.000 1.056 98 R HN 0.139 nan 8.270 nan 0.000 0.506 99 V N 0.268 120.186 119.914 0.007 0.000 2.444 99 V HA 0.643 4.763 4.120 -0.000 0.000 0.294 99 V C 0.444 176.576 176.094 0.063 0.000 1.022 99 V CA -0.772 61.537 62.300 0.014 0.000 0.850 99 V CB 1.750 33.638 31.823 0.108 0.000 0.992 99 V HN 0.292 nan 8.190 nan 0.000 0.426 100 G N 3.159 111.968 108.800 0.015 0.000 3.042 100 G HA2 0.840 4.800 3.960 -0.000 0.000 0.278 100 G HA3 0.840 4.800 3.960 -0.000 0.000 0.278 100 G C -1.799 173.137 174.900 0.062 0.000 1.371 100 G CA -0.772 44.339 45.100 0.019 0.000 1.009 100 G HN 0.691 nan 8.290 nan 0.000 0.523 101 L N -0.245 120.964 121.223 -0.023 0.000 2.505 101 L HA 0.684 5.024 4.340 -0.000 0.000 0.266 101 L C -1.559 175.220 176.870 -0.152 0.000 0.954 101 L CA -0.632 54.203 54.840 -0.009 0.000 0.852 101 L CB 1.767 43.845 42.059 0.032 0.000 1.282 101 L HN 0.437 nan 8.230 nan 0.000 0.403 102 I N 5.203 125.695 120.570 -0.130 0.000 2.476 102 I HA 0.771 4.941 4.170 -0.000 0.000 0.281 102 I C -0.538 175.555 176.117 -0.041 0.000 1.040 102 I CA -0.301 60.906 61.300 -0.154 0.000 1.094 102 I CB 1.775 39.669 38.000 -0.176 0.000 1.219 102 I HN 0.667 nan 8.210 nan 0.000 0.450 103 A N 4.280 127.100 122.820 0.001 0.000 2.547 103 A HA 0.950 5.270 4.320 -0.000 0.000 0.297 103 A C -0.696 176.919 177.584 0.052 0.000 1.056 103 A CA -0.408 51.643 52.037 0.023 0.000 0.688 103 A CB 1.827 20.837 19.000 0.015 0.000 1.282 103 A HN 0.756 nan 8.150 nan 0.000 0.400 104 G N -0.237 108.596 108.800 0.056 0.000 2.827 104 G HA2 0.840 4.800 3.960 -0.000 0.000 0.296 104 G HA3 0.840 4.800 3.960 -0.000 0.000 0.296 104 G C -0.555 174.383 174.900 0.063 0.000 1.362 104 G CA 0.145 45.287 45.100 0.069 0.000 0.809 104 G HN 1.933 nan 8.290 nan 0.000 0.522 105 S N -1.863 113.877 115.700 0.067 0.000 2.569 105 S HA 0.652 5.122 4.470 -0.000 0.000 0.280 105 S C 0.987 175.627 174.600 0.067 0.000 1.111 105 S CA 0.307 58.546 58.200 0.065 0.000 0.887 105 S CB 1.590 64.831 63.200 0.068 0.000 1.095 105 S HN 1.470 nan 8.310 nan 0.000 0.476 106 G N 0.509 109.346 108.800 0.060 0.000 2.403 106 G HA2 0.252 4.212 3.960 -0.000 0.000 0.216 106 G HA3 0.252 4.212 3.960 -0.000 0.000 0.216 106 G C 0.994 175.945 174.900 0.084 0.000 1.154 106 G CA 0.551 45.691 45.100 0.065 0.000 0.784 106 G HN 1.120 nan 8.290 nan 0.000 0.538 107 G N -1.055 107.797 108.800 0.088 0.000 2.850 107 G HA2 0.428 4.388 3.960 -0.000 0.000 0.211 107 G HA3 0.428 4.388 3.960 -0.000 0.000 0.211 107 G C 1.153 176.100 174.900 0.079 0.000 1.124 107 G CA 0.907 46.065 45.100 0.096 0.000 0.769 107 G HN 1.210 nan 8.290 nan 0.000 0.535 108 G N 0.021 108.867 108.800 0.076 0.000 2.559 108 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.282 108 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.282 108 G C 0.346 175.295 174.900 0.081 0.000 1.177 108 G CA 0.662 45.807 45.100 0.074 0.000 0.960 108 G HN 1.338 nan 8.290 nan 0.000 0.540 109 S N 1.786 117.544 115.700 0.096 0.000 2.389 109 S HA 0.647 5.117 4.470 -0.000 0.000 0.201 109 S C -1.172 173.484 174.600 0.092 0.000 1.422 109 S CA -0.041 58.231 58.200 0.121 0.000 1.216 109 S CB 1.662 65.001 63.200 0.231 0.000 1.130 109 S HN 0.297 nan 8.310 nan 0.000 0.465 110 P HA -0.154 nan 4.420 nan 0.000 0.216 110 P C 1.506 178.757 177.300 -0.081 0.000 1.150 110 P CA 0.872 63.960 63.100 -0.021 0.000 0.843 110 P CB 0.115 31.785 31.700 -0.051 0.000 0.787 111 R N -1.083 119.338 120.500 -0.131 0.000 2.083 111 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 111 R C 1.949 178.083 176.300 -0.278 0.000 1.137 111 R CA 1.677 57.612 56.100 -0.276 0.000 0.951 111 R CB -0.913 29.175 30.300 -0.354 0.000 0.851 111 R HN 0.081 nan 8.270 nan 0.000 0.434 112 F N 0.987 120.953 119.950 0.026 0.000 2.367 112 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 112 F C 2.455 178.340 175.800 0.141 0.000 1.094 112 F CA 1.051 59.112 58.000 0.102 0.000 1.409 112 F CB -0.209 38.818 39.000 0.046 0.000 1.064 112 F HN 0.111 nan 8.300 nan 0.000 0.528 113 Q N -0.184 119.734 119.800 0.198 0.000 2.061 113 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 113 Q C 2.387 178.440 176.000 0.087 0.000 0.984 113 Q CA 1.971 57.850 55.803 0.126 0.000 0.846 113 Q CB -0.537 28.243 28.738 0.071 0.000 0.902 113 Q HN 0.253 nan 8.270 nan 0.000 0.421 114 V N 0.511 120.447 119.914 0.037 0.000 2.358 114 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 114 V C 1.911 178.031 176.094 0.043 0.000 1.047 114 V CA 1.771 64.077 62.300 0.009 0.000 1.035 114 V CB -0.644 31.139 31.823 -0.067 0.000 0.658 114 V HN 0.343 nan 8.190 nan 0.000 0.452 115 F N 2.176 122.085 119.950 -0.067 0.000 2.095 115 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 115 F C 2.175 178.001 175.800 0.044 0.000 1.104 115 F CA 1.831 59.809 58.000 -0.037 0.000 1.232 115 F CB -0.914 38.023 39.000 -0.106 0.000 0.987 115 F HN 0.135 nan 8.300 nan 0.000 0.475 116 G N -0.295 108.541 108.800 0.060 0.000 2.446 116 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 116 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 116 G C 1.797 176.615 174.900 -0.136 0.000 1.168 116 G CA 0.949 46.025 45.100 -0.041 0.000 0.771 116 G HN 0.647 nan 8.290 nan 0.000 0.551 117 A N 0.823 123.601 122.820 -0.070 0.000 1.929 117 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 117 A C 2.098 179.623 177.584 -0.098 0.000 1.176 117 A CA 1.987 53.988 52.037 -0.061 0.000 0.628 117 A CB -0.343 18.646 19.000 -0.018 0.000 0.816 117 A HN 0.267 nan 8.150 nan 0.000 0.444 118 D N 0.384 120.708 120.400 -0.127 0.000 2.104 118 D HA -0.091 4.549 4.640 -0.000 0.000 0.194 118 D C 2.240 178.421 176.300 -0.199 0.000 0.994 118 D CA 1.704 55.627 54.000 -0.128 0.000 0.830 118 D CB -0.488 40.255 40.800 -0.095 0.000 0.959 118 D HN 0.408 nan 8.370 nan 0.000 0.452 119 A N 0.561 123.149 122.820 -0.387 0.000 1.902 119 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 119 A C 2.140 179.603 177.584 -0.200 0.000 1.181 119 A CA 1.738 53.545 52.037 -0.383 0.000 0.623 119 A CB -0.543 18.037 19.000 -0.701 0.000 0.818 119 A HN 0.159 nan 8.150 nan 0.000 0.443 120 M N -0.022 119.476 119.600 -0.170 0.000 2.149 120 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 120 M C 1.795 178.055 176.300 -0.067 0.000 1.064 120 M CA 1.503 56.747 55.300 -0.094 0.000 1.102 120 M CB -0.449 32.111 32.600 -0.068 0.000 1.369 120 M HN 0.363 nan 8.290 nan 0.000 0.408 121 R N -0.222 120.237 120.500 -0.069 0.000 2.313 121 R HA 0.212 4.552 4.340 -0.000 0.000 0.199 121 R C 0.986 177.263 176.300 -0.038 0.000 0.958 121 R CA 0.311 56.384 56.100 -0.044 0.000 1.047 121 R CB -0.283 29.995 30.300 -0.035 0.000 0.955 121 R HN 0.463 nan 8.270 nan 0.000 0.481 122 G N 0.769 109.539 108.800 -0.050 0.000 2.613 122 G HA2 0.190 4.150 3.960 -0.000 0.000 0.303 122 G HA3 0.190 4.150 3.960 -0.000 0.000 0.303 122 G C -1.698 173.186 174.900 -0.027 0.000 1.312 122 G CA -0.978 44.100 45.100 -0.037 0.000 1.036 122 G HN -0.110 nan 8.290 nan 0.000 0.513 123 P HA 0.008 nan 4.420 nan 0.000 0.230 123 P C 0.981 178.275 177.300 -0.010 0.000 1.158 123 P CA 0.674 63.768 63.100 -0.010 0.000 0.769 123 P CB 0.407 32.104 31.700 -0.004 0.000 0.807 124 R N -0.974 119.518 120.500 -0.013 0.000 2.397 124 R HA 0.254 4.594 4.340 -0.000 0.000 0.241 124 R C 1.622 177.912 176.300 -0.018 0.000 0.914 124 R CA 0.435 56.529 56.100 -0.009 0.000 1.071 124 R CB -0.066 30.234 30.300 0.001 0.000 1.116 124 R HN 0.115 nan 8.270 nan 0.000 0.524 125 G N 2.299 111.080 108.800 -0.030 0.000 2.685 125 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.329 125 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.329 125 G C 0.860 175.739 174.900 -0.036 0.000 1.271 125 G CA 0.691 45.770 45.100 -0.035 0.000 1.003 125 G HN 0.224 nan 8.290 nan 0.000 0.549 126 L N 0.673 121.881 121.223 -0.024 0.000 2.187 126 L HA -0.103 4.237 4.340 -0.000 0.000 0.213 126 L C 3.261 180.124 176.870 -0.011 0.000 1.100 126 L CA 2.088 56.917 54.840 -0.019 0.000 0.765 126 L CB -0.570 41.480 42.059 -0.016 0.000 0.904 126 L HN 0.408 nan 8.230 nan 0.000 0.437 127 K N -0.387 120.008 120.400 -0.007 0.000 2.217 127 K HA 0.043 4.363 4.320 -0.000 0.000 0.202 127 K C 2.170 178.787 176.600 0.028 0.000 1.051 127 K CA 0.924 57.214 56.287 0.005 0.000 0.952 127 K CB -0.535 31.968 32.500 0.005 0.000 0.736 127 K HN 0.518 nan 8.250 nan 0.000 0.453 128 A N 0.563 123.393 122.820 0.017 0.000 1.930 128 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 128 A C 2.385 180.013 177.584 0.073 0.000 1.176 128 A CA 1.233 53.294 52.037 0.040 0.000 0.632 128 A CB -0.505 18.477 19.000 -0.031 0.000 0.819 128 A HN 0.213 nan 8.150 nan 0.000 0.445 129 V N -0.338 119.577 119.914 0.001 0.000 2.295 129 V HA 0.134 4.254 4.120 -0.000 0.000 0.246 129 V C 1.737 177.951 176.094 0.200 0.000 1.049 129 V CA 1.217 63.553 62.300 0.060 0.000 1.024 129 V CB -2.010 29.816 31.823 0.005 0.000 0.648 129 V HN 1.224 nan 8.190 nan 0.000 0.447 130 G N 0.545 109.394 108.800 0.082 0.000 2.855 130 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.352 130 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.352 130 G C -1.648 173.193 174.900 -0.099 0.000 1.415 130 G CA -0.036 45.069 45.100 0.008 0.000 0.871 130 G HN 0.362 nan 8.290 nan 0.000 0.543 131 P HA 0.255 nan 4.420 nan 0.000 0.262 131 P C 0.119 177.120 177.300 -0.499 0.000 1.304 131 P CA 0.654 63.484 63.100 -0.450 0.000 0.859 131 P CB 0.052 31.403 31.700 -0.582 0.000 1.310 132 Y N -1.626 118.658 120.300 -0.026 0.000 2.531 132 Y HA 0.153 4.703 4.550 -0.000 0.000 0.249 132 Y C 2.067 177.934 175.900 -0.054 0.000 1.168 132 Y CA -0.216 57.839 58.100 -0.076 0.000 1.226 132 Y CB -0.198 38.102 38.460 -0.266 0.000 1.177 132 Y HN -0.278 nan 8.280 nan 0.000 0.527 133 V N -1.371 118.614 119.914 0.117 0.000 2.591 133 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 133 V C 2.017 178.176 176.094 0.108 0.000 1.053 133 V CA 1.255 63.635 62.300 0.135 0.000 1.068 133 V CB -0.458 31.518 31.823 0.256 0.000 0.689 133 V HN 0.220 nan 8.190 nan 0.000 0.462 134 V N 1.214 121.188 119.914 0.100 0.000 2.295 134 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 134 V C 2.826 178.969 176.094 0.082 0.000 1.049 134 V CA 2.581 64.933 62.300 0.086 0.000 1.024 134 V CB -1.298 30.567 31.823 0.071 0.000 0.648 134 V HN 0.800 nan 8.190 nan 0.000 0.447 135 T N -1.970 112.651 114.554 0.111 0.000 2.962 135 T HA -0.155 4.195 4.350 -0.000 0.000 0.270 135 T C 1.719 176.442 174.700 0.040 0.000 1.088 135 T CA 1.201 63.358 62.100 0.096 0.000 1.127 135 T CB -0.239 68.735 68.868 0.176 0.000 0.883 135 T HN 0.487 nan 8.240 nan 0.000 0.493 136 K N 1.132 121.523 120.400 -0.016 0.000 2.076 136 K HA 0.307 4.627 4.320 -0.000 0.000 0.204 136 K C 2.692 179.309 176.600 0.029 0.000 1.051 136 K CA 1.046 57.265 56.287 -0.112 0.000 0.949 136 K CB -0.206 32.003 32.500 -0.485 0.000 0.726 136 K HN 0.416 nan 8.250 nan 0.000 0.443 137 A N 1.942 124.814 122.820 0.086 0.000 2.030 137 A HA 0.070 4.390 4.320 -0.000 0.000 0.215 137 A C 1.282 178.919 177.584 0.088 0.000 1.164 137 A CA -0.028 52.084 52.037 0.126 0.000 0.697 137 A CB -0.408 18.686 19.000 0.156 0.000 0.827 137 A HN 0.332 nan 8.150 nan 0.000 0.457 138 M N -1.734 117.909 119.600 0.071 0.000 2.245 138 M HA 0.517 4.997 4.480 -0.000 0.000 0.330 138 M C 0.950 177.286 176.300 0.059 0.000 1.098 138 M CA 0.396 55.732 55.300 0.060 0.000 1.172 138 M CB 0.608 33.240 32.600 0.052 0.000 1.467 138 M HN 0.040 nan 8.290 nan 0.000 0.454 139 A N 1.832 124.686 122.820 0.056 0.000 2.019 139 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 139 A C 2.032 179.653 177.584 0.062 0.000 1.164 139 A CA 1.943 54.016 52.037 0.059 0.000 0.644 139 A CB -0.966 18.067 19.000 0.054 0.000 0.805 139 A HN 1.010 nan 8.150 nan 0.000 0.449 140 S N -0.875 114.861 115.700 0.061 0.000 2.634 140 S HA 0.296 4.766 4.470 -0.000 0.000 0.221 140 S C 1.643 176.278 174.600 0.058 0.000 0.952 140 S CA 0.597 58.837 58.200 0.068 0.000 0.930 140 S CB -0.364 62.880 63.200 0.072 0.000 0.780 140 S HN 0.583 nan 8.310 nan 0.000 0.498 141 G N 2.135 110.966 108.800 0.052 0.000 2.505 141 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 141 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 141 G C 1.291 176.219 174.900 0.045 0.000 1.145 141 G CA 1.303 46.428 45.100 0.041 0.000 0.761 141 G HN 0.496 nan 8.290 nan 0.000 0.571 142 V N 1.643 121.591 119.914 0.055 0.000 2.358 142 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 142 V C 3.243 179.380 176.094 0.071 0.000 1.047 142 V CA 2.401 64.740 62.300 0.065 0.000 1.035 142 V CB -0.348 31.515 31.823 0.066 0.000 0.658 142 V HN 0.631 nan 8.190 nan 0.000 0.452 143 S N 0.916 116.655 115.700 0.064 0.000 2.377 143 S HA -0.049 4.421 4.470 -0.000 0.000 0.223 143 S C 2.170 176.805 174.600 0.058 0.000 1.030 143 S CA 1.051 59.286 58.200 0.057 0.000 0.970 143 S CB -0.558 62.673 63.200 0.052 0.000 0.830 143 S HN 0.529 nan 8.310 nan 0.000 0.473 144 A N 1.045 123.893 122.820 0.047 0.000 1.883 144 A HA -0.117 4.202 4.320 -0.000 0.000 0.217 144 A C 2.398 179.989 177.584 0.012 0.000 1.186 144 A CA 1.711 53.760 52.037 0.021 0.000 0.624 144 A CB -1.560 17.442 19.000 0.003 0.000 0.822 144 A HN 0.697 nan 8.150 nan 0.000 0.444 145 C N -1.355 117.963 119.300 0.030 0.000 2.472 145 C HA 0.155 4.615 4.460 -0.000 0.000 0.278 145 C C 2.307 177.374 174.990 0.129 0.000 1.447 145 C CA 0.704 59.744 59.018 0.036 0.000 1.773 145 C CB -1.285 26.476 27.740 0.035 0.000 1.793 145 C HN 0.536 nan 8.230 nan 0.000 0.544 146 L N 0.419 121.751 121.223 0.181 0.000 2.349 146 L HA 0.262 4.602 4.340 -0.000 0.000 0.200 146 L C 2.648 179.695 176.870 0.296 0.000 1.064 146 L CA 1.611 56.651 54.840 0.333 0.000 0.821 146 L CB -1.216 41.004 42.059 0.269 0.000 1.027 146 L HN 0.143 nan 8.230 nan 0.000 0.476 147 A N -0.945 121.973 122.820 0.163 0.000 1.978 147 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 147 A C 2.294 179.959 177.584 0.136 0.000 1.170 147 A CA 2.436 54.557 52.037 0.140 0.000 0.636 147 A CB -0.953 18.097 19.000 0.084 0.000 0.810 147 A HN 0.422 nan 8.150 nan 0.000 0.448 148 T N 0.289 114.891 114.554 0.081 0.000 2.639 148 T HA -0.055 4.295 4.350 -0.000 0.000 0.261 148 T C -0.105 174.616 174.700 0.035 0.000 1.053 148 T CA 1.604 63.722 62.100 0.030 0.000 1.158 148 T CB -1.006 67.825 68.868 -0.061 0.000 0.863 148 T HN 0.490 nan 8.240 nan 0.000 0.413 149 P HA 0.010 nan 4.420 nan 0.000 0.221 149 P C 0.739 177.984 177.300 -0.091 0.000 1.150 149 P CA 1.009 64.074 63.100 -0.059 0.000 0.800 149 P CB -0.241 31.413 31.700 -0.076 0.000 0.787 150 F N 0.517 120.515 119.950 0.079 0.000 2.773 150 F HA 0.174 4.701 4.527 -0.000 0.000 0.304 150 F C 1.005 176.855 175.800 0.083 0.000 1.129 150 F CA 0.125 58.170 58.000 0.074 0.000 1.378 150 F CB -0.382 38.591 39.000 -0.045 0.000 1.095 150 F HN -0.200 nan 8.300 nan 0.000 0.565 151 K N 0.189 120.694 120.400 0.174 0.000 3.071 151 K HA -0.199 4.121 4.320 -0.000 0.000 0.265 151 K C -0.315 176.341 176.600 0.094 0.000 1.060 151 K CA 0.303 56.642 56.287 0.088 0.000 0.767 151 K CB -2.236 30.244 32.500 -0.034 0.000 1.241 151 K HN 0.175 nan 8.250 nan 0.000 0.486 152 I N 1.246 121.935 120.570 0.198 0.000 2.556 152 I HA 0.013 4.183 4.170 -0.000 0.000 0.284 152 I C 1.975 178.280 176.117 0.313 0.000 1.114 152 I CA 0.390 61.817 61.300 0.212 0.000 1.418 152 I CB 0.325 38.437 38.000 0.187 0.000 1.394 152 I HN 0.235 nan 8.210 nan 0.000 0.552 153 H N 3.278 122.390 119.070 0.070 0.000 2.740 153 H HA 0.170 4.726 4.556 -0.000 0.000 0.265 153 H C 1.363 176.710 175.328 0.032 0.000 0.978 153 H CA 0.075 56.148 56.048 0.042 0.000 1.198 153 H CB 1.371 31.154 29.762 0.034 0.000 1.467 153 H HN 0.768 nan 8.280 nan 0.000 0.511 154 G N 1.087 109.974 108.800 0.145 0.000 2.975 154 G HA2 0.226 4.186 3.960 -0.000 0.000 0.159 154 G HA3 0.226 4.186 3.960 -0.000 0.000 0.159 154 G C 0.163 175.081 174.900 0.030 0.000 1.525 154 G CA 0.096 45.238 45.100 0.069 0.000 1.075 154 G HN 0.117 nan 8.290 nan 0.000 0.574 155 V N -0.633 119.267 119.914 -0.022 0.000 2.963 155 V HA 0.471 4.591 4.120 -0.000 0.000 0.306 155 V C -0.267 175.729 176.094 -0.162 0.000 1.077 155 V CA -0.334 61.908 62.300 -0.096 0.000 1.124 155 V CB 1.192 32.887 31.823 -0.213 0.000 0.987 155 V HN 0.733 nan 8.190 nan 0.000 0.487 156 N N 3.183 121.776 118.700 -0.179 0.000 2.629 156 N HA 0.491 5.231 4.740 -0.000 0.000 0.277 156 N C -1.260 174.234 175.510 -0.026 0.000 1.188 156 N CA -0.578 52.405 53.050 -0.113 0.000 0.835 156 N CB 1.163 39.657 38.487 0.011 0.000 1.420 156 N HN 0.998 nan 8.380 nan 0.000 0.542 157 Y N -0.962 119.359 120.300 0.035 0.000 2.779 157 Y HA 0.681 5.231 4.550 -0.000 0.000 0.340 157 Y C -1.212 174.707 175.900 0.031 0.000 1.252 157 Y CA -1.169 56.949 58.100 0.029 0.000 1.072 157 Y CB 0.295 38.769 38.460 0.022 0.000 1.343 157 Y HN 0.107 nan 8.280 nan 0.000 0.450 158 S N 1.839 117.721 115.700 0.304 0.000 2.537 158 S HA 0.717 5.187 4.470 -0.000 0.000 0.301 158 S C -0.783 173.955 174.600 0.230 0.000 1.092 158 S CA -0.743 57.580 58.200 0.203 0.000 1.048 158 S CB 0.990 64.266 63.200 0.126 0.000 1.053 158 S HN 0.482 nan 8.310 nan 0.000 0.501 159 I N 2.125 122.808 120.570 0.188 0.000 2.499 159 I HA 0.430 4.600 4.170 -0.000 0.000 0.296 159 I C 0.175 176.356 176.117 0.106 0.000 0.992 159 I CA -0.271 61.112 61.300 0.137 0.000 1.297 159 I CB 1.332 39.423 38.000 0.152 0.000 1.410 159 I HN 0.449 nan 8.210 nan 0.000 0.507 160 S N 3.156 118.903 115.700 0.077 0.000 2.707 160 S HA 0.444 4.914 4.470 -0.000 0.000 0.303 160 S C -0.019 174.626 174.600 0.076 0.000 1.132 160 S CA -0.571 57.675 58.200 0.078 0.000 1.046 160 S CB 1.353 64.591 63.200 0.064 0.000 1.004 160 S HN 0.717 nan 8.310 nan 0.000 0.483 161 S N 1.213 116.980 115.700 0.112 0.000 2.801 161 S HA 0.670 5.139 4.470 -0.000 0.000 0.236 161 S C 0.543 175.225 174.600 0.137 0.000 0.852 161 S CA -0.028 58.252 58.200 0.134 0.000 1.089 161 S CB -0.093 63.238 63.200 0.218 0.000 1.376 161 S HN 1.533 nan 8.310 nan 0.000 0.470 162 A N 0.666 123.547 122.820 0.101 0.000 5.479 162 A HA -0.312 4.008 4.320 -0.000 0.000 0.301 162 A C 1.532 179.137 177.584 0.036 0.000 1.961 162 A CA 0.984 53.061 52.037 0.067 0.000 0.716 162 A CB -2.098 16.948 19.000 0.076 0.000 1.266 162 A HN 1.357 nan 8.150 nan 0.000 0.372 163 C N 0.503 119.801 119.300 -0.004 0.000 2.511 163 C HA 0.413 4.873 4.460 -0.000 0.000 0.277 163 C C 2.552 177.561 174.990 0.032 0.000 1.451 163 C CA 0.974 60.014 59.018 0.036 0.000 1.735 163 C CB -1.834 25.974 27.740 0.112 0.000 1.704 163 C HN 1.344 nan 8.230 nan 0.000 0.571 164 A N -0.186 122.646 122.820 0.021 0.000 2.348 164 A HA 0.124 4.444 4.320 -0.000 0.000 0.224 164 A C 1.920 179.525 177.584 0.034 0.000 1.227 164 A CA 0.687 52.698 52.037 -0.043 0.000 0.885 164 A CB -0.526 18.461 19.000 -0.023 0.000 0.933 164 A HN 0.433 nan 8.150 nan 0.000 0.506 165 T N 1.364 115.976 114.554 0.096 0.000 2.565 165 T HA -0.235 4.114 4.350 -0.000 0.000 0.265 165 T C 2.285 177.035 174.700 0.084 0.000 1.082 165 T CA 2.568 64.743 62.100 0.125 0.000 1.173 165 T CB -0.392 68.527 68.868 0.085 0.000 0.864 165 T HN 0.794 nan 8.240 nan 0.000 0.425 166 S N 1.333 117.045 115.700 0.020 0.000 2.489 166 S HA 0.240 4.710 4.470 -0.000 0.000 0.228 166 S C 2.284 176.850 174.600 -0.056 0.000 0.995 166 S CA 0.685 58.879 58.200 -0.011 0.000 0.934 166 S CB -0.362 62.820 63.200 -0.030 0.000 0.771 166 S HN 0.525 nan 8.310 nan 0.000 0.522 167 A N 2.432 125.195 122.820 -0.095 0.000 1.873 167 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 167 A C 2.133 179.630 177.584 -0.144 0.000 1.186 167 A CA 1.299 53.241 52.037 -0.158 0.000 0.616 167 A CB -1.034 17.826 19.000 -0.234 0.000 0.823 167 A HN 0.626 nan 8.150 nan 0.000 0.442 168 H N -0.761 118.321 119.070 0.020 0.000 2.421 168 H HA -0.123 4.433 4.556 -0.000 0.000 0.298 168 H C 2.374 177.679 175.328 -0.039 0.000 1.087 168 H CA 1.365 57.448 56.048 0.058 0.000 1.330 168 H CB -0.578 29.257 29.762 0.121 0.000 1.388 168 H HN 0.540 nan 8.280 nan 0.000 0.526 169 C N 0.588 119.935 119.300 0.077 0.000 2.429 169 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 169 C C 2.998 177.940 174.990 -0.081 0.000 1.262 169 C CA 0.526 59.557 59.018 0.021 0.000 1.733 169 C CB -1.075 26.674 27.740 0.014 0.000 2.010 169 C HN 0.430 nan 8.230 nan 0.000 0.483 170 I N 1.132 121.618 120.570 -0.139 0.000 2.179 170 I HA -0.106 4.064 4.170 -0.000 0.000 0.242 170 I C 2.741 178.649 176.117 -0.349 0.000 1.088 170 I CA 1.811 62.988 61.300 -0.205 0.000 1.357 170 I CB -0.924 36.961 38.000 -0.192 0.000 1.051 170 I HN 0.440 nan 8.210 nan 0.000 0.409 171 G N 0.445 108.867 108.800 -0.631 0.000 2.422 171 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 171 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 171 G C 1.473 175.960 174.900 -0.688 0.000 1.146 171 G CA 0.820 45.053 45.100 -1.445 0.000 0.769 171 G HN 0.394 nan 8.290 nan 0.000 0.547 172 N N 0.928 119.465 118.700 -0.271 0.000 2.188 172 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 172 N C 2.571 178.060 175.510 -0.034 0.000 1.018 172 N CA 1.032 54.077 53.050 -0.008 0.000 0.858 172 N CB -0.102 38.461 38.487 0.126 0.000 0.989 172 N HN 0.251 nan 8.380 nan 0.000 0.426 173 A N 0.940 123.699 122.820 -0.101 0.000 1.883 173 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 173 A C 2.454 179.974 177.584 -0.105 0.000 1.186 173 A CA 1.366 53.336 52.037 -0.111 0.000 0.624 173 A CB -0.903 18.014 19.000 -0.140 0.000 0.822 173 A HN 0.173 nan 8.150 nan 0.000 0.444 174 V N 0.195 120.028 119.914 -0.134 0.000 2.324 174 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 174 V C 2.411 178.490 176.094 -0.025 0.000 1.060 174 V CA 2.449 64.695 62.300 -0.089 0.000 1.042 174 V CB -0.951 30.809 31.823 -0.105 0.000 0.650 174 V HN 0.662 nan 8.190 nan 0.000 0.450 175 E N -0.599 119.605 120.200 0.007 0.000 2.118 175 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 175 E C 2.393 179.013 176.600 0.034 0.000 0.992 175 E CA 1.129 57.564 56.400 0.058 0.000 0.804 175 E CB -0.159 29.608 29.700 0.112 0.000 0.741 175 E HN 0.565 nan 8.360 nan 0.000 0.458 176 Q N 0.155 119.963 119.800 0.014 0.000 2.124 176 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 176 Q C 2.257 178.247 176.000 -0.018 0.000 0.977 176 Q CA 0.983 56.788 55.803 0.004 0.000 0.850 176 Q CB -0.163 28.564 28.738 -0.019 0.000 0.901 176 Q HN 0.291 nan 8.270 nan 0.000 0.429 177 I N 1.117 121.665 120.570 -0.036 0.000 2.202 177 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 177 I C 2.394 178.501 176.117 -0.017 0.000 1.091 177 I CA 1.316 62.590 61.300 -0.044 0.000 1.368 177 I CB -0.447 37.516 38.000 -0.062 0.000 1.058 177 I HN 0.193 nan 8.210 nan 0.000 0.410 178 Q N -0.206 119.593 119.800 -0.001 0.000 2.135 178 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 178 Q C 2.127 178.136 176.000 0.016 0.000 0.981 178 Q CA 1.309 57.121 55.803 0.014 0.000 0.856 178 Q CB -0.266 28.492 28.738 0.033 0.000 0.902 178 Q HN 0.473 nan 8.270 nan 0.000 0.425 179 L N -0.776 120.457 121.223 0.017 0.000 2.599 179 L HA 0.084 4.424 4.340 -0.000 0.000 0.230 179 L C 1.166 178.043 176.870 0.011 0.000 1.141 179 L CA 0.397 55.249 54.840 0.019 0.000 0.877 179 L CB -0.115 41.959 42.059 0.026 0.000 1.009 179 L HN 0.430 nan 8.230 nan 0.000 0.447 180 G N 0.151 108.953 108.800 0.003 0.000 2.153 180 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.252 180 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.252 180 G C 0.999 175.897 174.900 -0.004 0.000 0.994 180 G CA 0.618 45.717 45.100 -0.001 0.000 0.698 180 G HN 0.392 nan 8.290 nan 0.000 0.521 181 K N -0.971 119.427 120.400 -0.003 0.000 2.243 181 K HA 0.097 4.417 4.320 -0.000 0.000 0.201 181 K C 0.989 177.579 176.600 -0.016 0.000 1.051 181 K CA 0.824 57.111 56.287 -0.000 0.000 0.970 181 K CB 0.054 32.563 32.500 0.014 0.000 0.755 181 K HN 0.416 nan 8.250 nan 0.000 0.465 182 Q N -0.289 119.486 119.800 -0.041 0.000 2.421 182 Q HA 0.140 4.480 4.340 -0.000 0.000 0.280 182 Q C -0.505 175.421 176.000 -0.122 0.000 1.085 182 Q CA -0.341 55.417 55.803 -0.076 0.000 0.807 182 Q CB 2.012 30.698 28.738 -0.088 0.000 1.405 182 Q HN -0.041 nan 8.270 nan 0.000 0.419 183 D N 0.276 120.560 120.400 -0.193 0.000 2.324 183 D HA 0.258 4.898 4.640 -0.000 0.000 0.212 183 D C 0.252 176.310 176.300 -0.403 0.000 0.984 183 D CA 0.813 54.609 54.000 -0.341 0.000 0.885 183 D CB 1.219 41.673 40.800 -0.575 0.000 0.996 183 D HN 0.364 nan 8.370 nan 0.000 0.505 184 I N 0.642 121.003 120.570 -0.348 0.000 2.619 184 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 184 I C -1.137 174.767 176.117 -0.355 0.000 1.100 184 I CA -0.794 60.270 61.300 -0.392 0.000 1.043 184 I CB 3.316 41.036 38.000 -0.466 0.000 1.239 184 I HN -0.416 nan 8.210 nan 0.000 0.420 185 V N 5.735 125.414 119.914 -0.391 0.000 2.525 185 V HA 0.395 4.515 4.120 -0.000 0.000 0.299 185 V C -0.700 175.163 176.094 -0.385 0.000 1.034 185 V CA -0.610 61.506 62.300 -0.305 0.000 0.863 185 V CB 1.759 33.468 31.823 -0.190 0.000 0.999 185 V HN 0.365 nan 8.190 nan 0.000 0.423 186 F N 3.350 123.194 119.950 -0.178 0.000 2.438 186 F HA 0.670 5.197 4.527 -0.000 0.000 0.356 186 F C 0.728 176.424 175.800 -0.174 0.000 1.099 186 F CA 0.031 57.908 58.000 -0.205 0.000 1.185 186 F CB 1.127 39.962 39.000 -0.275 0.000 1.115 186 F HN 0.575 nan 8.300 nan 0.000 0.526 187 A N 2.412 125.226 122.820 -0.010 0.000 2.393 187 A HA 0.924 5.244 4.320 -0.000 0.000 0.306 187 A C -0.044 177.511 177.584 -0.049 0.000 1.050 187 A CA 0.121 52.128 52.037 -0.050 0.000 0.724 187 A CB 1.450 20.392 19.000 -0.096 0.000 1.248 187 A HN 1.049 nan 8.150 nan 0.000 0.424 188 G N -0.121 108.656 108.800 -0.039 0.000 2.512 188 G HA2 0.735 4.695 3.960 -0.000 0.000 0.181 188 G HA3 0.735 4.695 3.960 -0.000 0.000 0.181 188 G C -0.099 174.793 174.900 -0.014 0.000 1.173 188 G CA 0.460 45.535 45.100 -0.042 0.000 0.988 188 G HN 2.373 nan 8.290 nan 0.000 0.485 189 G N -2.084 106.714 108.800 -0.003 0.000 2.322 189 G HA2 0.786 4.746 3.960 -0.000 0.000 0.295 189 G HA3 0.786 4.746 3.960 -0.000 0.000 0.295 189 G C -0.577 174.352 174.900 0.047 0.000 1.369 189 G CA 0.651 45.766 45.100 0.025 0.000 0.821 189 G HN 2.051 nan 8.290 nan 0.000 0.536 190 G N -1.244 107.599 108.800 0.073 0.000 2.692 190 G HA2 0.685 4.645 3.960 -0.000 0.000 0.291 190 G HA3 0.685 4.645 3.960 -0.000 0.000 0.291 190 G C -1.914 173.058 174.900 0.120 0.000 1.423 190 G CA -0.340 44.835 45.100 0.125 0.000 0.843 190 G HN 0.685 nan 8.290 nan 0.000 0.486 191 E N -0.168 120.140 120.200 0.179 0.000 2.311 191 E HA 0.327 4.677 4.350 -0.000 0.000 0.281 191 E C -0.197 176.531 176.600 0.214 0.000 0.905 191 E CA -0.677 55.805 56.400 0.137 0.000 0.778 191 E CB 1.462 31.205 29.700 0.072 0.000 1.240 191 E HN 0.700 nan 8.360 nan 0.000 0.410 192 E N 3.265 123.547 120.200 0.137 0.000 2.371 192 E HA 0.354 4.704 4.350 -0.000 0.000 0.257 192 E C -0.764 175.899 176.600 0.104 0.000 1.134 192 E CA -0.777 55.701 56.400 0.130 0.000 0.919 192 E CB 1.055 30.779 29.700 0.039 0.000 1.025 192 E HN 0.248 nan 8.360 nan 0.000 0.438 193 L N 2.453 123.716 121.223 0.066 0.000 2.325 193 L HA 0.452 4.792 4.340 -0.000 0.000 0.281 193 L C -1.263 175.647 176.870 0.067 0.000 1.004 193 L CA -0.469 54.367 54.840 -0.006 0.000 0.823 193 L CB 0.804 42.697 42.059 -0.276 0.000 1.236 193 L HN 0.919 nan 8.230 nan 0.000 0.415 194 C N 2.585 121.996 119.300 0.184 0.000 3.283 194 C HA 0.368 4.828 4.460 -0.000 0.000 0.359 194 C C 1.031 176.120 174.990 0.166 0.000 1.160 194 C CA -1.105 58.008 59.018 0.159 0.000 1.232 194 C CB 0.415 28.115 27.740 -0.067 0.000 1.571 194 C HN 1.055 nan 8.230 nan 0.000 0.522 195 W N 1.387 122.802 121.300 0.192 0.000 2.374 195 W HA -0.020 4.640 4.660 0.000 0.000 0.288 195 W C 1.025 177.610 176.519 0.110 0.000 1.218 195 W CA 1.939 59.358 57.345 0.123 0.000 1.245 195 W CB -1.016 28.476 29.460 0.054 0.000 1.126 195 W HN 0.892 nan 8.180 nan 0.000 0.545 196 E N 0.819 120.412 120.200 -1.012 0.000 2.097 196 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 196 E C 2.341 178.783 176.600 -0.264 0.000 1.000 196 E CA 2.810 58.633 56.400 -0.961 0.000 0.804 196 E CB -0.683 28.493 29.700 -0.874 0.000 0.740 196 E HN 0.393 nan 8.360 nan 0.000 0.454 197 M N -0.592 118.951 119.600 -0.096 0.000 2.325 197 M HA 0.104 4.584 4.480 -0.000 0.000 0.265 197 M C 2.101 178.562 176.300 0.269 0.000 1.094 197 M CA 1.262 56.620 55.300 0.096 0.000 1.161 197 M CB 0.104 32.792 32.600 0.146 0.000 1.358 197 M HN 0.141 nan 8.290 nan 0.000 0.446 198 A N 0.400 123.384 122.820 0.273 0.000 1.940 198 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 198 A C 2.345 180.116 177.584 0.312 0.000 1.176 198 A CA 1.839 54.078 52.037 0.337 0.000 0.631 198 A CB -1.790 17.377 19.000 0.279 0.000 0.814 198 A HN 0.880 nan 8.150 nan 0.000 0.446 199 C N -0.547 118.917 119.300 0.273 0.000 2.419 199 C HA -0.042 4.418 4.460 -0.000 0.000 0.281 199 C C 2.137 177.228 174.990 0.168 0.000 1.336 199 C CA 1.042 60.203 59.018 0.238 0.000 1.770 199 C CB -1.503 26.429 27.740 0.321 0.000 1.929 199 C HN 0.657 nan 8.230 nan 0.000 0.509 200 E N 0.371 120.646 120.200 0.125 0.000 2.107 200 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 200 E C 1.764 178.341 176.600 -0.038 0.000 0.982 200 E CA 1.294 57.693 56.400 -0.002 0.000 0.809 200 E CB -0.306 29.329 29.700 -0.108 0.000 0.756 200 E HN 0.752 nan 8.360 nan 0.000 0.459 201 F N 1.363 121.386 119.950 0.123 0.000 2.146 201 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 201 F C 2.231 178.054 175.800 0.037 0.000 1.096 201 F CA 1.134 59.206 58.000 0.121 0.000 1.275 201 F CB -0.204 38.849 39.000 0.089 0.000 1.008 201 F HN -0.027 nan 8.300 nan 0.000 0.480 202 D N 0.221 120.736 120.400 0.191 0.000 2.144 202 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 202 D C 2.229 178.577 176.300 0.081 0.000 0.984 202 D CA 1.245 55.302 54.000 0.095 0.000 0.834 202 D CB -0.251 40.602 40.800 0.087 0.000 0.955 202 D HN 0.168 nan 8.370 nan 0.000 0.465 203 A N 0.661 123.531 122.820 0.083 0.000 2.070 203 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 203 A C 2.194 179.807 177.584 0.047 0.000 1.159 203 A CA 1.579 53.650 52.037 0.057 0.000 0.656 203 A CB -0.739 18.292 19.000 0.051 0.000 0.800 203 A HN 0.514 nan 8.150 nan 0.000 0.453 204 M N -3.180 116.458 119.600 0.064 0.000 2.428 204 M HA 0.433 4.913 4.480 -0.000 0.000 0.239 204 M C 1.058 177.407 176.300 0.080 0.000 1.121 204 M CA 0.788 56.125 55.300 0.061 0.000 1.019 204 M CB 0.092 32.727 32.600 0.058 0.000 1.485 204 M HN 0.603 nan 8.290 nan 0.000 0.484 205 G N 0.780 109.627 108.800 0.079 0.000 2.136 205 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.242 205 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.242 205 G C 0.804 175.755 174.900 0.085 0.000 0.989 205 G CA 0.379 45.518 45.100 0.065 0.000 0.682 205 G HN 0.750 nan 8.290 nan 0.000 0.522 206 A N -0.859 122.036 122.820 0.124 0.000 2.119 206 A HA 0.617 4.937 4.320 -0.000 0.000 0.216 206 A C 1.283 178.793 177.584 -0.124 0.000 1.152 206 A CA 0.886 53.016 52.037 0.156 0.000 0.708 206 A CB 0.081 19.356 19.000 0.458 0.000 0.805 206 A HN 0.661 nan 8.150 nan 0.000 0.460 207 L N -0.379 120.721 121.223 -0.205 0.000 2.344 207 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 207 L C 0.676 177.475 176.870 -0.119 0.000 1.035 207 L CA -0.627 54.007 54.840 -0.343 0.000 0.807 207 L CB 1.600 43.482 42.059 -0.295 0.000 1.237 207 L HN 0.140 nan 8.230 nan 0.000 0.442 208 S N 0.056 115.712 115.700 -0.074 0.000 2.549 208 S HA 0.120 4.590 4.470 -0.000 0.000 0.286 208 S C 0.745 175.347 174.600 0.003 0.000 1.314 208 S CA 0.234 58.458 58.200 0.040 0.000 1.062 208 S CB 0.392 63.661 63.200 0.115 0.000 0.865 208 S HN 0.832 nan 8.310 nan 0.000 0.498 209 T N 1.356 115.905 114.554 -0.007 0.000 3.041 209 T HA 0.345 4.695 4.350 -0.000 0.000 0.276 209 T C 0.863 175.478 174.700 -0.141 0.000 0.948 209 T CA -0.433 61.610 62.100 -0.094 0.000 0.885 209 T CB -0.081 68.726 68.868 -0.101 0.000 1.175 209 T HN 0.583 nan 8.240 nan 0.000 0.529 210 K N 0.073 120.365 120.400 -0.179 0.000 2.393 210 K HA 0.258 4.578 4.320 -0.000 0.000 0.193 210 K C -0.242 176.012 176.600 -0.577 0.000 1.026 210 K CA 0.305 56.334 56.287 -0.431 0.000 1.064 210 K CB 0.251 32.377 32.500 -0.623 0.000 0.833 210 K HN 0.420 nan 8.250 nan 0.000 0.521 211 Y N -0.236 120.055 120.300 -0.015 0.000 2.706 211 Y HA 0.196 4.746 4.550 -0.000 0.000 0.255 211 Y C 0.862 176.776 175.900 0.023 0.000 1.163 211 Y CA -0.690 57.413 58.100 0.006 0.000 1.174 211 Y CB 0.104 38.575 38.460 0.019 0.000 1.200 211 Y HN -0.012 nan 8.280 nan 0.000 0.544 212 N N 0.665 119.419 118.700 0.090 0.000 2.272 212 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 212 N C 0.843 176.458 175.510 0.176 0.000 1.014 212 N CA 1.541 54.675 53.050 0.141 0.000 0.870 212 N CB 0.023 38.558 38.487 0.079 0.000 0.975 212 N HN 0.422 nan 8.380 nan 0.000 0.433 213 D N -0.368 120.091 120.400 0.099 0.000 2.317 213 D HA -0.020 4.620 4.640 -0.000 0.000 0.211 213 D C 0.452 176.795 176.300 0.071 0.000 0.966 213 D CA 0.833 54.865 54.000 0.054 0.000 0.876 213 D CB 0.050 40.862 40.800 0.020 0.000 0.927 213 D HN 0.329 nan 8.370 nan 0.000 0.519 214 T N -2.363 112.263 114.554 0.120 0.000 3.410 214 T HA 0.337 4.687 4.350 -0.000 0.000 0.328 214 T C -2.370 172.407 174.700 0.128 0.000 1.567 214 T CA -1.613 60.554 62.100 0.112 0.000 1.626 214 T CB 1.755 70.694 68.868 0.118 0.000 0.939 214 T HN -0.274 nan 8.240 nan 0.000 0.656 215 P HA -0.090 nan 4.420 nan 0.000 0.218 215 P C 1.345 178.703 177.300 0.097 0.000 1.148 215 P CA 1.064 64.252 63.100 0.146 0.000 0.822 215 P CB 0.164 31.972 31.700 0.180 0.000 0.784 216 E N -0.543 119.700 120.200 0.072 0.000 2.418 216 E HA -0.101 4.249 4.350 -0.000 0.000 0.197 216 E C 1.160 177.758 176.600 -0.003 0.000 1.026 216 E CA 0.653 57.075 56.400 0.037 0.000 0.862 216 E CB -0.105 29.614 29.700 0.032 0.000 0.799 216 E HN 0.305 nan 8.360 nan 0.000 0.518 217 K N -0.358 120.030 120.400 -0.020 0.000 2.358 217 K HA 0.214 4.534 4.320 -0.000 0.000 0.197 217 K C 1.495 177.924 176.600 -0.286 0.000 1.025 217 K CA 0.226 56.440 56.287 -0.121 0.000 1.104 217 K CB 0.806 33.248 32.500 -0.097 0.000 0.855 217 K HN -0.004 nan 8.250 nan 0.000 0.531 218 A N 1.300 124.039 122.820 -0.134 0.000 1.897 218 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 218 A C 1.440 178.948 177.584 -0.127 0.000 1.181 218 A CA 0.884 52.851 52.037 -0.117 0.000 0.620 218 A CB -0.052 19.015 19.000 0.111 0.000 0.821 218 A HN 0.170 nan 8.150 nan 0.000 0.443 219 S N 0.596 116.256 115.700 -0.067 0.000 2.430 219 S HA 0.465 4.935 4.470 -0.000 0.000 0.289 219 S C 0.212 174.755 174.600 -0.095 0.000 1.143 219 S CA -0.652 57.522 58.200 -0.043 0.000 1.067 219 S CB -0.067 63.134 63.200 0.001 0.000 0.964 219 S HN 0.506 nan 8.310 nan 0.000 0.485 220 R N 2.626 123.061 120.500 -0.108 0.000 2.570 220 R HA 0.160 4.500 4.340 -0.000 0.000 0.246 220 R C -0.861 175.368 176.300 -0.118 0.000 1.417 220 R CA -0.615 55.415 56.100 -0.117 0.000 1.525 220 R CB -1.092 29.108 30.300 -0.166 0.000 1.403 220 R HN 0.453 nan 8.270 nan 0.000 0.754 221 T N 2.092 116.529 114.554 -0.196 0.000 2.891 221 T HA -0.054 4.296 4.350 -0.000 0.000 0.296 221 T C 0.002 174.465 174.700 -0.394 0.000 1.025 221 T CA 1.063 62.909 62.100 -0.423 0.000 1.149 221 T CB -0.123 68.364 68.868 -0.635 0.000 1.007 221 T HN 0.522 nan 8.240 nan 0.000 0.528 222 Y N -1.208 119.100 120.300 0.014 0.000 4.936 222 Y HA -0.224 4.326 4.550 -0.000 0.000 0.260 222 Y C 0.690 176.592 175.900 0.002 0.000 0.928 222 Y CA 0.441 58.547 58.100 0.010 0.000 1.869 222 Y CB -2.368 36.097 38.460 0.008 0.000 1.344 222 Y HN 0.771 nan 8.280 nan 0.000 0.521 223 D N 0.544 120.995 120.400 0.084 0.000 2.382 223 D HA 0.548 5.188 4.640 -0.000 0.000 0.245 223 D C 1.267 177.580 176.300 0.021 0.000 1.120 223 D CA 0.770 54.804 54.000 0.057 0.000 0.890 223 D CB 1.253 42.074 40.800 0.035 0.000 1.201 223 D HN 0.276 nan 8.370 nan 0.000 0.433 224 A N 3.052 125.841 122.820 -0.051 0.000 2.125 224 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 224 A C 1.098 178.469 177.584 -0.355 0.000 1.156 224 A CA 1.239 53.149 52.037 -0.211 0.000 0.671 224 A CB -0.516 18.294 19.000 -0.317 0.000 0.794 224 A HN 0.784 nan 8.150 nan 0.000 0.459 225 H N -0.541 118.587 119.070 0.097 0.000 2.505 225 H HA 0.162 4.718 4.556 -0.000 0.000 0.286 225 H C 0.592 176.035 175.328 0.192 0.000 1.072 225 H CA -0.384 55.753 56.048 0.148 0.000 1.141 225 H CB 0.134 30.009 29.762 0.189 0.000 1.550 225 H HN 0.573 nan 8.280 nan 0.000 0.547 226 R N 1.596 122.191 120.500 0.159 0.000 2.679 226 R HA 0.003 4.343 4.340 -0.000 0.000 0.268 226 R C -0.530 175.880 176.300 0.184 0.000 1.044 226 R CA 0.475 56.657 56.100 0.138 0.000 1.105 226 R CB 0.444 30.777 30.300 0.056 0.000 0.989 226 R HN 0.239 nan 8.270 nan 0.000 0.447 227 D N 0.444 120.967 120.400 0.204 0.000 2.785 227 D HA 0.228 4.868 4.640 -0.000 0.000 0.324 227 D C 0.094 176.472 176.300 0.130 0.000 1.523 227 D CA 0.080 54.183 54.000 0.171 0.000 0.789 227 D CB 0.350 41.260 40.800 0.182 0.000 1.171 227 D HN 0.936 nan 8.370 nan 0.000 0.447 228 G N 0.373 109.252 108.800 0.131 0.000 2.440 228 G HA2 0.204 4.164 3.960 -0.000 0.000 0.684 228 G HA3 0.204 4.164 3.960 -0.000 0.000 0.684 228 G C -0.496 174.491 174.900 0.146 0.000 1.309 228 G CA -0.682 44.495 45.100 0.128 0.000 0.931 228 G HN 0.366 nan 8.290 nan 0.000 0.612 229 F N -0.726 119.278 119.950 0.090 0.000 2.375 229 F HA 0.804 5.331 4.527 -0.000 0.000 0.313 229 F C 0.302 176.136 175.800 0.056 0.000 1.176 229 F CA -1.332 56.705 58.000 0.062 0.000 1.142 229 F CB 1.193 40.250 39.000 0.095 0.000 1.275 229 F HN 0.407 nan 8.300 nan 0.000 0.544 230 V N 3.966 124.074 119.914 0.323 0.000 2.357 230 V HA 0.270 4.390 4.120 -0.000 0.000 0.284 230 V C 0.160 176.461 176.094 0.345 0.000 1.018 230 V CA -0.858 61.561 62.300 0.198 0.000 0.841 230 V CB 1.124 33.040 31.823 0.156 0.000 0.991 230 V HN 0.838 nan 8.190 nan 0.000 0.437 231 I N 4.578 125.298 120.570 0.250 0.000 2.754 231 I HA 0.522 4.692 4.170 -0.000 0.000 0.285 231 I C 0.508 176.750 176.117 0.208 0.000 1.166 231 I CA 0.522 61.990 61.300 0.280 0.000 1.417 231 I CB 0.938 39.040 38.000 0.169 0.000 1.382 231 I HN 0.794 nan 8.210 nan 0.000 0.588 232 A N 4.756 127.645 122.820 0.114 0.000 2.569 232 A HA 0.884 5.204 4.320 -0.000 0.000 0.290 232 A C -0.628 176.938 177.584 -0.031 0.000 1.136 232 A CA -0.124 51.930 52.037 0.028 0.000 0.710 232 A CB 1.384 20.404 19.000 0.032 0.000 1.303 232 A HN 0.825 nan 8.150 nan 0.000 0.413 233 G N -1.789 106.945 108.800 -0.110 0.000 2.730 233 G HA2 0.932 4.892 3.960 -0.000 0.000 0.289 233 G HA3 0.932 4.892 3.960 -0.000 0.000 0.289 233 G C -0.059 174.709 174.900 -0.220 0.000 1.341 233 G CA -0.242 44.805 45.100 -0.088 0.000 0.932 233 G HN 2.294 nan 8.290 nan 0.000 0.481 234 G N -2.118 106.538 108.800 -0.239 0.000 2.340 234 G HA2 0.607 4.567 3.960 -0.000 0.000 0.282 234 G HA3 0.607 4.567 3.960 -0.000 0.000 0.282 234 G C -0.356 174.503 174.900 -0.069 0.000 1.312 234 G CA 0.205 45.023 45.100 -0.470 0.000 0.942 234 G HN 1.948 nan 8.290 nan 0.000 0.495 235 G N -1.818 106.948 108.800 -0.057 0.000 2.695 235 G HA2 1.022 4.982 3.960 -0.000 0.000 0.290 235 G HA3 1.022 4.982 3.960 -0.000 0.000 0.290 235 G C -0.350 174.536 174.900 -0.022 0.000 1.410 235 G CA 0.293 45.421 45.100 0.047 0.000 0.844 235 G HN 2.071 nan 8.290 nan 0.000 0.478 236 G N -0.664 108.120 108.800 -0.026 0.000 2.703 236 G HA2 0.612 4.572 3.960 -0.000 0.000 0.294 236 G HA3 0.612 4.572 3.960 -0.000 0.000 0.294 236 G C -1.405 173.457 174.900 -0.064 0.000 1.451 236 G CA -0.630 44.428 45.100 -0.069 0.000 0.869 236 G HN 0.554 nan 8.290 nan 0.000 0.516 237 M N 0.829 120.382 119.600 -0.078 0.000 2.371 237 M HA 0.499 4.979 4.480 -0.000 0.000 0.287 237 M C -0.269 175.984 176.300 -0.078 0.000 1.149 237 M CA -0.876 54.382 55.300 -0.071 0.000 0.929 237 M CB 1.412 33.962 32.600 -0.083 0.000 1.683 237 M HN 0.905 nan 8.290 nan 0.000 0.470 238 V N 0.412 120.281 119.914 -0.076 0.000 2.960 238 V HA 0.865 4.985 4.120 -0.000 0.000 0.315 238 V C -0.537 175.508 176.094 -0.083 0.000 1.087 238 V CA -0.871 61.374 62.300 -0.092 0.000 0.982 238 V CB 2.006 33.748 31.823 -0.135 0.000 1.039 238 V HN 0.538 nan 8.190 nan 0.000 0.437 239 V N 3.546 123.395 119.914 -0.108 0.000 2.334 239 V HA 0.346 4.466 4.120 -0.000 0.000 0.267 239 V C 0.133 176.091 176.094 -0.225 0.000 1.040 239 V CA -0.315 61.840 62.300 -0.242 0.000 0.866 239 V CB 0.993 32.688 31.823 -0.214 0.000 1.019 239 V HN 0.725 nan 8.190 nan 0.000 0.468 240 V N 5.181 124.933 119.914 -0.270 0.000 2.407 240 V HA 0.488 4.608 4.120 -0.000 0.000 0.278 240 V C 0.054 176.012 176.094 -0.228 0.000 1.037 240 V CA -0.270 61.908 62.300 -0.203 0.000 0.900 240 V CB 1.414 33.128 31.823 -0.183 0.000 0.983 240 V HN 0.972 nan 8.190 nan 0.000 0.459 241 E N 2.807 122.909 120.200 -0.163 0.000 2.331 241 E HA 0.316 4.666 4.350 -0.000 0.000 0.275 241 E C -0.890 175.653 176.600 -0.095 0.000 0.895 241 E CA -0.708 55.598 56.400 -0.156 0.000 0.753 241 E CB 1.848 31.479 29.700 -0.115 0.000 1.216 241 E HN 0.692 nan 8.360 nan 0.000 0.434 242 E N 3.800 123.942 120.200 -0.096 0.000 2.384 242 E HA -0.021 4.329 4.350 -0.000 0.000 0.266 242 E C 0.733 177.342 176.600 0.015 0.000 1.012 242 E CA -0.090 56.287 56.400 -0.038 0.000 0.901 242 E CB 1.170 30.849 29.700 -0.036 0.000 0.967 242 E HN 0.640 nan 8.360 nan 0.000 0.435 243 L N 5.549 126.775 121.223 0.005 0.000 1.989 243 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 243 L C 1.895 178.778 176.870 0.021 0.000 1.071 243 L CA 1.925 56.768 54.840 0.006 0.000 0.749 243 L CB -0.379 41.678 42.059 -0.004 0.000 0.890 243 L HN 0.542 nan 8.230 nan 0.000 0.431 244 E N -0.958 119.260 120.200 0.029 0.000 2.110 244 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 244 E C 2.220 178.841 176.600 0.035 0.000 0.988 244 E CA 1.377 57.792 56.400 0.024 0.000 0.804 244 E CB -0.710 29.003 29.700 0.022 0.000 0.745 244 E HN 0.681 nan 8.360 nan 0.000 0.458 245 H N 0.572 119.626 119.070 -0.027 0.000 2.353 245 H HA -0.027 4.529 4.556 -0.000 0.000 0.300 245 H C 1.823 177.133 175.328 -0.030 0.000 1.090 245 H CA 1.678 57.710 56.048 -0.027 0.000 1.327 245 H CB 0.214 29.956 29.762 -0.034 0.000 1.383 245 H HN 0.124 nan 8.280 nan 0.000 0.508 246 A N 1.144 124.029 122.820 0.108 0.000 1.855 246 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 246 A C 2.885 180.459 177.584 -0.017 0.000 1.191 246 A CA 1.202 53.267 52.037 0.046 0.000 0.613 246 A CB -0.902 18.112 19.000 0.023 0.000 0.829 246 A HN 0.399 nan 8.150 nan 0.000 0.442 247 L N -0.642 120.569 121.223 -0.021 0.000 2.046 247 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 247 L C 3.054 179.895 176.870 -0.047 0.000 1.077 247 L CA 1.127 55.948 54.840 -0.032 0.000 0.747 247 L CB -0.536 41.508 42.059 -0.025 0.000 0.896 247 L HN 0.437 nan 8.230 nan 0.000 0.432 248 A N 0.872 123.650 122.820 -0.070 0.000 1.972 248 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 248 A C 2.233 179.755 177.584 -0.103 0.000 1.169 248 A CA 1.588 53.571 52.037 -0.090 0.000 0.635 248 A CB -0.504 18.425 19.000 -0.118 0.000 0.810 248 A HN 0.580 nan 8.150 nan 0.000 0.446 249 R N -1.214 119.213 120.500 -0.122 0.000 2.359 249 R HA 0.342 4.682 4.340 -0.000 0.000 0.231 249 R C 0.970 177.243 176.300 -0.046 0.000 0.913 249 R CA 0.612 56.655 56.100 -0.095 0.000 1.075 249 R CB -0.631 29.599 30.300 -0.117 0.000 1.087 249 R HN 0.677 nan 8.270 nan 0.000 0.515 250 G N 0.854 109.631 108.800 -0.038 0.000 2.249 250 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.273 250 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.273 250 G C 0.319 175.216 174.900 -0.006 0.000 1.036 250 G CA 0.181 45.268 45.100 -0.021 0.000 0.824 250 G HN 0.722 nan 8.290 nan 0.000 0.504 251 A N 0.081 122.898 122.820 -0.006 0.000 2.466 251 A HA 0.494 4.814 4.320 -0.000 0.000 0.238 251 A C 0.710 178.302 177.584 0.014 0.000 1.074 251 A CA 0.232 52.277 52.037 0.013 0.000 0.774 251 A CB 0.186 19.192 19.000 0.009 0.000 1.015 251 A HN 0.990 nan 8.150 nan 0.000 0.498 252 H N 2.017 121.043 119.070 -0.074 0.000 2.742 252 H HA 0.390 4.946 4.556 -0.000 0.000 0.302 252 H C -0.963 174.271 175.328 -0.155 0.000 1.069 252 H CA -0.037 55.926 56.048 -0.141 0.000 1.446 252 H CB 0.290 29.932 29.762 -0.200 0.000 1.462 252 H HN 0.478 nan 8.280 nan 0.000 0.499 253 I N 6.756 126.947 120.570 -0.631 0.000 2.330 253 I HA -0.013 4.157 4.170 -0.000 0.000 0.289 253 I C 0.123 175.858 176.117 -0.636 0.000 1.001 253 I CA -0.616 60.408 61.300 -0.459 0.000 1.193 253 I CB 1.156 39.031 38.000 -0.208 0.000 1.345 253 I HN 0.678 nan 8.210 nan 0.000 0.461 254 Y N 5.070 125.114 120.300 -0.427 0.000 2.153 254 Y HA 0.189 4.739 4.550 -0.000 0.000 0.289 254 Y C 1.270 177.082 175.900 -0.147 0.000 1.127 254 Y CA 1.016 58.968 58.100 -0.247 0.000 1.131 254 Y CB 0.138 38.535 38.460 -0.105 0.000 0.995 254 Y HN 0.662 nan 8.280 nan 0.000 0.505 255 A N -0.765 122.090 122.820 0.058 0.000 2.586 255 A HA 0.405 4.725 4.320 -0.000 0.000 0.291 255 A C -1.476 176.106 177.584 -0.003 0.000 1.062 255 A CA -0.831 51.218 52.037 0.019 0.000 0.666 255 A CB 0.818 19.840 19.000 0.036 0.000 1.281 255 A HN 0.089 nan 8.150 nan 0.000 0.421 256 E N 0.850 121.046 120.200 -0.008 0.000 2.216 256 E HA 0.490 4.840 4.350 -0.000 0.000 0.279 256 E C -0.854 175.743 176.600 -0.006 0.000 0.997 256 E CA -0.686 55.707 56.400 -0.011 0.000 0.817 256 E CB 0.657 30.352 29.700 -0.009 0.000 1.096 256 E HN 0.461 nan 8.360 nan 0.000 0.393 257 I N 6.743 127.306 120.570 -0.013 0.000 2.294 257 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 257 I C 1.150 177.277 176.117 0.016 0.000 1.098 257 I CA 0.099 61.396 61.300 -0.005 0.000 1.277 257 I CB 0.442 38.425 38.000 -0.028 0.000 1.434 257 I HN 0.493 nan 8.210 nan 0.000 0.498 258 V N 3.349 123.279 119.914 0.026 0.000 3.608 258 V HA 0.506 4.626 4.120 -0.000 0.000 0.269 258 V C 0.769 176.895 176.094 0.054 0.000 1.245 258 V CA 0.350 62.670 62.300 0.033 0.000 1.138 258 V CB 0.019 31.856 31.823 0.023 0.000 0.841 258 V HN 0.694 nan 8.190 nan 0.000 0.451 259 G N -0.635 108.210 108.800 0.075 0.000 2.746 259 G HA2 0.541 4.500 3.960 -0.000 0.000 0.297 259 G HA3 0.541 4.500 3.960 -0.000 0.000 0.297 259 G C -2.323 172.682 174.900 0.175 0.000 1.426 259 G CA -0.580 44.584 45.100 0.106 0.000 0.989 259 G HN 0.309 nan 8.290 nan 0.000 0.520 260 Y N 1.169 121.482 120.300 0.022 0.000 2.330 260 Y HA 0.674 5.224 4.550 -0.000 0.000 0.324 260 Y C -0.147 175.771 175.900 0.031 0.000 1.093 260 Y CA -1.235 56.876 58.100 0.018 0.000 1.103 260 Y CB 1.679 40.151 38.460 0.019 0.000 1.183 260 Y HN 0.846 nan 8.280 nan 0.000 0.433 261 G N 3.121 111.827 108.800 -0.158 0.000 2.416 261 G HA2 0.756 4.716 3.960 -0.000 0.000 0.329 261 G HA3 0.756 4.716 3.960 -0.000 0.000 0.329 261 G C -1.647 173.043 174.900 -0.349 0.000 1.173 261 G CA -0.589 44.349 45.100 -0.270 0.000 0.929 261 G HN 1.126 nan 8.290 nan 0.000 0.475 262 A N 1.485 124.111 122.820 -0.324 0.000 2.442 262 A HA 0.874 5.194 4.320 -0.000 0.000 0.284 262 A C -0.022 177.550 177.584 -0.021 0.000 1.058 262 A CA -0.054 51.946 52.037 -0.062 0.000 0.738 262 A CB 1.379 20.351 19.000 -0.045 0.000 1.242 262 A HN 1.591 nan 8.150 nan 0.000 0.421 263 T N -1.456 113.133 114.554 0.060 0.000 2.696 263 T HA 0.863 5.213 4.350 -0.000 0.000 0.291 263 T C -0.340 174.390 174.700 0.051 0.000 1.095 263 T CA -0.388 61.726 62.100 0.024 0.000 1.026 263 T CB 1.652 70.522 68.868 0.003 0.000 1.390 263 T HN 1.483 nan 8.240 nan 0.000 0.513 264 S N -1.086 114.626 115.700 0.020 0.000 2.541 264 S HA 0.482 4.952 4.470 -0.000 0.000 0.280 264 S C -0.336 174.265 174.600 0.003 0.000 1.112 264 S CA -0.589 57.624 58.200 0.022 0.000 0.925 264 S CB 1.682 64.888 63.200 0.010 0.000 1.067 264 S HN 0.694 nan 8.310 nan 0.000 0.479 265 D N 2.581 122.983 120.400 0.003 0.000 2.137 265 D HA 0.168 4.808 4.640 -0.000 0.000 0.202 265 D C 1.441 177.735 176.300 -0.011 0.000 0.970 265 D CA 1.477 55.468 54.000 -0.015 0.000 0.837 265 D CB -0.489 40.300 40.800 -0.019 0.000 0.981 265 D HN 1.052 nan 8.370 nan 0.000 0.475 266 G N 0.122 108.921 108.800 -0.001 0.000 2.323 266 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.292 266 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.292 266 G C 0.620 175.517 174.900 -0.006 0.000 1.040 266 G CA 0.880 45.978 45.100 -0.003 0.000 0.942 266 G HN 0.620 nan 8.290 nan 0.000 0.506 267 A N -1.129 121.688 122.820 -0.004 0.000 1.742 267 A HA 0.657 4.977 4.320 -0.000 0.000 0.167 267 A C 0.464 178.044 177.584 -0.007 0.000 1.913 267 A CA 1.038 53.070 52.037 -0.008 0.000 1.331 267 A CB 0.487 19.479 19.000 -0.013 0.000 0.968 267 A HN 0.536 nan 8.150 nan 0.000 0.739 268 D N -1.157 119.239 120.400 -0.007 0.000 2.433 268 D HA 0.457 5.097 4.640 -0.000 0.000 0.236 268 D C 0.459 176.752 176.300 -0.012 0.000 1.026 268 D CA -0.524 53.468 54.000 -0.013 0.000 0.884 268 D CB 2.130 42.920 40.800 -0.017 0.000 1.384 268 D HN 0.110 nan 8.370 nan 0.000 0.477 269 M N 2.564 122.143 119.600 -0.035 0.000 2.156 269 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 269 M C 1.247 177.475 176.300 -0.120 0.000 1.067 269 M CA 1.714 56.985 55.300 -0.047 0.000 1.131 269 M CB 0.075 32.635 32.600 -0.068 0.000 1.368 269 M HN 0.362 nan 8.290 nan 0.000 0.416 270 V N -3.235 116.562 119.914 -0.196 0.000 3.252 270 V HA 0.730 4.850 4.120 -0.000 0.000 0.320 270 V C 0.020 176.033 176.094 -0.134 0.000 1.459 270 V CA -0.075 61.982 62.300 -0.405 0.000 1.095 270 V CB -0.858 30.571 31.823 -0.657 0.000 0.997 270 V HN 0.250 nan 8.190 nan 0.000 0.469 271 A N 1.744 124.546 122.820 -0.031 0.000 2.393 271 A HA 0.945 5.265 4.320 -0.000 0.000 0.306 271 A C -3.117 174.488 177.584 0.035 0.000 1.050 271 A CA -1.707 50.349 52.037 0.032 0.000 0.724 271 A CB 1.626 20.635 19.000 0.015 0.000 1.248 271 A HN 0.205 nan 8.150 nan 0.000 0.424 272 P HA 0.166 nan 4.420 nan 0.000 0.278 272 P C 0.755 178.029 177.300 -0.042 0.000 1.238 272 P CA -0.081 63.005 63.100 -0.023 0.000 0.794 272 P CB 1.496 33.149 31.700 -0.077 0.000 0.955 273 S N 1.260 116.921 115.700 -0.064 0.000 2.461 273 S HA 0.100 4.570 4.470 -0.000 0.000 0.228 273 S C 1.670 176.230 174.600 -0.067 0.000 1.005 273 S CA 0.910 59.078 58.200 -0.053 0.000 0.942 273 S CB -1.142 62.029 63.200 -0.047 0.000 0.776 273 S HN 0.749 nan 8.310 nan 0.000 0.514 274 G N 1.765 110.496 108.800 -0.115 0.000 2.640 274 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.226 274 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.226 274 G C 0.880 175.719 174.900 -0.101 0.000 1.222 274 G CA 0.576 45.609 45.100 -0.111 0.000 0.729 274 G HN 0.536 nan 8.290 nan 0.000 0.516 275 E N 1.173 121.329 120.200 -0.073 0.000 2.110 275 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 275 E C 2.667 179.227 176.600 -0.067 0.000 0.988 275 E CA 1.658 58.023 56.400 -0.057 0.000 0.804 275 E CB -0.734 28.940 29.700 -0.043 0.000 0.745 275 E HN 0.609 nan 8.360 nan 0.000 0.458 276 G N 0.735 109.485 108.800 -0.083 0.000 2.442 276 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 276 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 276 G C 1.627 176.479 174.900 -0.080 0.000 1.141 276 G CA 0.977 46.032 45.100 -0.075 0.000 0.763 276 G HN 0.407 nan 8.290 nan 0.000 0.554 277 A N 0.109 122.830 122.820 -0.165 0.000 1.898 277 A HA 0.118 4.438 4.320 -0.000 0.000 0.216 277 A C 2.606 180.187 177.584 -0.005 0.000 1.181 277 A CA 1.683 53.644 52.037 -0.128 0.000 0.620 277 A CB -0.622 18.158 19.000 -0.367 0.000 0.819 277 A HN 0.239 nan 8.150 nan 0.000 0.442 278 V N 0.239 120.132 119.914 -0.036 0.000 2.252 278 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 278 V C 2.671 178.744 176.094 -0.035 0.000 1.056 278 V CA 2.455 64.738 62.300 -0.030 0.000 1.022 278 V CB -0.840 30.959 31.823 -0.040 0.000 0.641 278 V HN 0.544 nan 8.190 nan 0.000 0.445 279 R N -1.111 119.367 120.500 -0.036 0.000 2.105 279 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 279 R C 2.405 178.688 176.300 -0.028 0.000 1.135 279 R CA 1.762 57.839 56.100 -0.038 0.000 0.967 279 R CB -0.915 29.361 30.300 -0.040 0.000 0.861 279 R HN 0.591 nan 8.270 nan 0.000 0.442 280 C N 0.678 119.979 119.300 0.001 0.000 2.453 280 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 280 C C 2.621 177.626 174.990 0.025 0.000 1.262 280 C CA 0.781 59.813 59.018 0.023 0.000 1.718 280 C CB -0.671 27.128 27.740 0.098 0.000 2.031 280 C HN 0.455 nan 8.230 nan 0.000 0.480 281 M N 0.185 119.811 119.600 0.043 0.000 2.117 281 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 281 M C 2.285 178.567 176.300 -0.029 0.000 1.065 281 M CA 1.847 57.165 55.300 0.029 0.000 1.114 281 M CB -0.480 32.146 32.600 0.042 0.000 1.361 281 M HN 0.366 nan 8.290 nan 0.000 0.408 282 K N 0.031 120.395 120.400 -0.059 0.000 2.097 282 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 282 K C 1.998 178.586 176.600 -0.019 0.000 1.049 282 K CA 1.407 57.654 56.287 -0.066 0.000 0.933 282 K CB -0.241 32.216 32.500 -0.072 0.000 0.717 282 K HN 0.347 nan 8.250 nan 0.000 0.442 283 M N 0.548 120.131 119.600 -0.029 0.000 2.108 283 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 283 M C 2.074 178.383 176.300 0.014 0.000 1.066 283 M CA 1.824 57.105 55.300 -0.031 0.000 1.107 283 M CB -0.090 32.465 32.600 -0.074 0.000 1.356 283 M HN 0.175 nan 8.290 nan 0.000 0.406 284 A N -0.063 122.766 122.820 0.014 0.000 2.067 284 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 284 A C 1.884 179.504 177.584 0.061 0.000 1.158 284 A CA 1.124 53.189 52.037 0.047 0.000 0.661 284 A CB -0.436 18.598 19.000 0.058 0.000 0.801 284 A HN 0.567 nan 8.150 nan 0.000 0.452 285 M N -0.747 118.881 119.600 0.046 0.000 2.541 285 M HA 0.058 4.538 4.480 -0.000 0.000 0.252 285 M C 0.560 176.886 176.300 0.044 0.000 1.125 285 M CA 0.275 55.596 55.300 0.034 0.000 1.091 285 M CB -1.218 31.372 32.600 -0.017 0.000 1.420 285 M HN 0.565 nan 8.290 nan 0.000 0.486 286 H N 0.783 119.840 119.070 -0.021 0.000 3.070 286 H HA 0.282 4.838 4.556 -0.000 0.000 0.313 286 H C 1.263 176.587 175.328 -0.007 0.000 0.997 286 H CA 1.626 57.662 56.048 -0.020 0.000 1.438 286 H CB 0.182 29.930 29.762 -0.023 0.000 1.455 286 H HN 0.570 nan 8.280 nan 0.000 0.575 287 G N 3.319 111.825 108.800 -0.488 0.000 2.184 287 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 287 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 287 G C -0.069 174.750 174.900 -0.135 0.000 0.975 287 G CA 0.320 45.218 45.100 -0.337 0.000 0.642 287 G HN 0.663 nan 8.290 nan 0.000 0.536 288 V N 2.340 122.205 119.914 -0.082 0.000 2.389 288 V HA 0.371 4.491 4.120 -0.000 0.000 0.264 288 V C 1.017 177.095 176.094 -0.026 0.000 1.049 288 V CA 0.335 62.617 62.300 -0.029 0.000 0.932 288 V CB 1.379 33.206 31.823 0.006 0.000 1.011 288 V HN 0.473 nan 8.190 nan 0.000 0.475 289 D N 2.375 122.762 120.400 -0.022 0.000 2.325 289 D HA 0.016 4.656 4.640 -0.000 0.000 0.225 289 D C 0.671 176.970 176.300 -0.000 0.000 1.096 289 D CA 0.008 53.997 54.000 -0.018 0.000 0.844 289 D CB 0.091 40.877 40.800 -0.023 0.000 0.925 289 D HN 0.572 nan 8.370 nan 0.000 0.513 290 T N -2.600 111.961 114.554 0.011 0.000 2.908 290 T HA 0.613 4.963 4.350 -0.000 0.000 0.290 290 T C -2.759 171.967 174.700 0.042 0.000 1.034 290 T CA -1.822 60.291 62.100 0.023 0.000 1.010 290 T CB 2.110 70.991 68.868 0.021 0.000 1.068 290 T HN -0.182 nan 8.240 nan 0.000 0.481 291 P HA 0.307 nan 4.420 nan 0.000 0.274 291 P C -0.414 176.935 177.300 0.082 0.000 1.237 291 P CA -0.675 62.472 63.100 0.080 0.000 0.793 291 P CB 0.461 32.198 31.700 0.062 0.000 0.977 292 I N 2.937 123.584 120.570 0.128 0.000 2.436 292 I HA 0.005 4.175 4.170 -0.000 0.000 0.289 292 I C 1.293 177.403 176.117 -0.011 0.000 1.083 292 I CA 0.388 61.734 61.300 0.077 0.000 1.372 292 I CB -0.154 37.932 38.000 0.144 0.000 1.408 292 I HN 0.316 nan 8.210 nan 0.000 0.516 293 D N 5.092 125.500 120.400 0.014 0.000 2.183 293 D HA -0.092 4.548 4.640 -0.000 0.000 0.205 293 D C 0.117 176.447 176.300 0.051 0.000 0.962 293 D CA 1.416 55.429 54.000 0.022 0.000 0.849 293 D CB 0.348 41.175 40.800 0.045 0.000 0.978 293 D HN 0.535 nan 8.370 nan 0.000 0.488 294 Y N 0.272 120.520 120.300 -0.087 0.000 2.479 294 Y HA 0.465 5.015 4.550 -0.000 0.000 0.338 294 Y C -1.959 173.886 175.900 -0.091 0.000 1.055 294 Y CA -1.093 56.948 58.100 -0.099 0.000 1.023 294 Y CB 1.427 39.829 38.460 -0.096 0.000 1.287 294 Y HN -0.232 nan 8.280 nan 0.000 0.447 295 L N 7.214 127.782 121.223 -1.091 0.000 2.349 295 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 295 L C -1.128 175.115 176.870 -1.045 0.000 0.996 295 L CA -0.564 53.784 54.840 -0.820 0.000 0.825 295 L CB 1.015 42.810 42.059 -0.440 0.000 1.243 295 L HN 0.804 nan 8.230 nan 0.000 0.412 296 N N 3.641 121.938 118.700 -0.670 0.000 2.439 296 N HA 0.110 4.850 4.740 -0.000 0.000 0.243 296 N C -0.342 175.093 175.510 -0.126 0.000 1.088 296 N CA -0.209 52.698 53.050 -0.237 0.000 0.940 296 N CB 0.991 39.512 38.487 0.056 0.000 1.180 296 N HN 0.727 nan 8.380 nan 0.000 0.505 297 S N 2.720 118.381 115.700 -0.064 0.000 2.600 297 S HA 0.004 4.474 4.470 -0.000 0.000 0.265 297 S C 1.305 175.896 174.600 -0.015 0.000 1.325 297 S CA -0.239 57.968 58.200 0.012 0.000 1.002 297 S CB 1.231 64.524 63.200 0.155 0.000 0.921 297 S HN 0.705 nan 8.310 nan 0.000 0.554 298 H N 2.149 121.129 119.070 -0.151 0.000 2.326 298 H HA 0.137 4.693 4.556 -0.000 0.000 0.301 298 H C 1.611 176.832 175.328 -0.178 0.000 1.081 298 H CA 1.591 57.488 56.048 -0.252 0.000 1.334 298 H CB -1.024 28.494 29.762 -0.407 0.000 1.385 298 H HN 1.187 nan 8.280 nan 0.000 0.504 299 G N 0.473 109.215 108.800 -0.098 0.000 2.290 299 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.270 299 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.270 299 G C 0.968 175.653 174.900 -0.358 0.000 0.891 299 G CA 0.904 45.865 45.100 -0.231 0.000 1.321 299 G HN 0.771 nan 8.290 nan 0.000 0.425 300 T N -2.361 112.013 114.554 -0.300 0.000 3.081 300 T HA 0.413 4.763 4.350 -0.000 0.000 0.255 300 T C 1.408 176.066 174.700 -0.070 0.000 1.113 300 T CA 1.116 63.047 62.100 -0.281 0.000 1.082 300 T CB 0.339 69.094 68.868 -0.189 0.000 0.939 300 T HN 1.872 nan 8.240 nan 0.000 0.506 301 S N 0.936 116.574 115.700 -0.103 0.000 3.672 301 S HA -0.133 4.337 4.470 -0.000 0.000 0.294 301 S C 0.213 174.855 174.600 0.069 0.000 1.200 301 S CA 0.632 58.809 58.200 -0.039 0.000 0.837 301 S CB -2.138 61.052 63.200 -0.017 0.000 0.972 301 S HN 1.237 nan 8.310 nan 0.000 0.583 302 T N -0.895 113.716 114.554 0.094 0.000 2.824 302 T HA 0.666 5.016 4.350 -0.000 0.000 0.280 302 T C -1.417 173.353 174.700 0.117 0.000 0.995 302 T CA -1.725 60.468 62.100 0.154 0.000 1.009 302 T CB 1.751 70.757 68.868 0.229 0.000 0.955 302 T HN -0.068 nan 8.240 nan 0.000 0.452 303 P HA -0.150 nan 4.420 nan 0.000 0.214 303 P C 1.711 179.070 177.300 0.098 0.000 1.169 303 P CA 0.699 63.855 63.100 0.094 0.000 0.908 303 P CB -0.030 31.722 31.700 0.086 0.000 0.791 304 V N -0.279 119.698 119.914 0.105 0.000 2.255 304 V HA -0.127 3.993 4.120 -0.000 0.000 0.243 304 V C 2.647 178.810 176.094 0.115 0.000 1.038 304 V CA 2.513 64.871 62.300 0.097 0.000 1.008 304 V CB -1.943 29.933 31.823 0.088 0.000 0.645 304 V HN 0.178 nan 8.190 nan 0.000 0.449 305 G N -0.148 108.739 108.800 0.146 0.000 2.476 305 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 305 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 305 G C 1.211 176.217 174.900 0.177 0.000 1.164 305 G CA 1.348 46.552 45.100 0.173 0.000 0.768 305 G HN 0.510 nan 8.290 nan 0.000 0.560 306 D N -0.031 120.464 120.400 0.158 0.000 2.123 306 D HA -0.121 4.519 4.640 -0.000 0.000 0.196 306 D C 2.901 179.369 176.300 0.280 0.000 0.992 306 D CA 1.713 55.835 54.000 0.202 0.000 0.833 306 D CB -0.445 40.431 40.800 0.126 0.000 0.954 306 D HN 0.389 nan 8.370 nan 0.000 0.455 307 V N -1.725 118.304 119.914 0.191 0.000 2.788 307 V HA 0.033 4.153 4.120 -0.000 0.000 0.251 307 V C 1.998 178.154 176.094 0.105 0.000 1.068 307 V CA 0.687 63.073 62.300 0.144 0.000 1.090 307 V CB -0.262 31.622 31.823 0.103 0.000 0.710 307 V HN -0.106 nan 8.190 nan 0.000 0.467 308 K N 1.038 121.496 120.400 0.096 0.000 2.063 308 K HA -0.198 4.121 4.320 -0.000 0.000 0.208 308 K C 2.192 178.829 176.600 0.060 0.000 1.048 308 K CA 2.195 58.516 56.287 0.056 0.000 0.928 308 K CB -0.344 32.176 32.500 0.033 0.000 0.713 308 K HN 0.767 nan 8.250 nan 0.000 0.442 309 E N 0.726 121.000 120.200 0.124 0.000 2.072 309 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 309 E C 2.149 178.843 176.600 0.157 0.000 0.985 309 E CA 0.532 57.038 56.400 0.177 0.000 0.801 309 E CB 0.040 29.953 29.700 0.355 0.000 0.750 309 E HN 0.163 nan 8.360 nan 0.000 0.452 310 L N 0.484 121.791 121.223 0.141 0.000 2.042 310 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 310 L C 2.700 179.600 176.870 0.050 0.000 1.076 310 L CA 1.116 55.991 54.840 0.058 0.000 0.749 310 L CB -0.555 41.498 42.059 -0.011 0.000 0.893 310 L HN 0.232 nan 8.230 nan 0.000 0.432 311 A N 0.058 122.908 122.820 0.050 0.000 1.902 311 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 311 A C 2.553 180.162 177.584 0.040 0.000 1.181 311 A CA 1.723 53.782 52.037 0.036 0.000 0.623 311 A CB -0.652 18.364 19.000 0.026 0.000 0.818 311 A HN 0.408 nan 8.150 nan 0.000 0.443 312 A N 0.045 122.891 122.820 0.045 0.000 1.877 312 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 312 A C 2.124 179.761 177.584 0.089 0.000 1.186 312 A CA 1.579 53.643 52.037 0.044 0.000 0.620 312 A CB -0.650 18.365 19.000 0.025 0.000 0.822 312 A HN 0.502 nan 8.150 nan 0.000 0.443 313 I N -1.031 119.626 120.570 0.145 0.000 2.208 313 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 313 I C 2.744 179.016 176.117 0.259 0.000 1.097 313 I CA 1.788 63.242 61.300 0.257 0.000 1.363 313 I CB -0.328 37.782 38.000 0.183 0.000 1.051 313 I HN 0.381 nan 8.210 nan 0.000 0.413 314 R N 0.850 121.429 120.500 0.132 0.000 2.081 314 R HA -0.247 4.093 4.340 -0.000 0.000 0.235 314 R C 2.243 178.591 176.300 0.080 0.000 1.131 314 R CA 1.873 58.034 56.100 0.101 0.000 0.960 314 R CB -0.108 30.221 30.300 0.048 0.000 0.856 314 R HN 0.228 nan 8.270 nan 0.000 0.436 315 E N 0.060 120.289 120.200 0.048 0.000 2.077 315 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 315 E C 1.805 178.387 176.600 -0.030 0.000 0.989 315 E CA 1.593 57.998 56.400 0.009 0.000 0.800 315 E CB -0.170 29.527 29.700 -0.005 0.000 0.746 315 E HN 0.178 nan 8.360 nan 0.000 0.452 316 V N -0.250 119.626 119.914 -0.063 0.000 2.307 316 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 316 V C 1.792 177.661 176.094 -0.374 0.000 1.045 316 V CA 1.874 64.009 62.300 -0.274 0.000 1.024 316 V CB -0.482 31.075 31.823 -0.444 0.000 0.651 316 V HN 0.259 nan 8.190 nan 0.000 0.449 317 F N -0.366 119.583 119.950 -0.003 0.000 2.731 317 F HA 0.491 5.018 4.527 0.000 0.000 0.298 317 F C 1.790 177.586 175.800 -0.007 0.000 1.106 317 F CA 0.539 58.535 58.000 -0.006 0.000 1.329 317 F CB -0.366 38.627 39.000 -0.012 0.000 1.100 317 F HN 0.264 nan 8.300 nan 0.000 0.592 318 G N 0.863 109.743 108.800 0.133 0.000 2.622 318 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.307 318 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.307 318 G C 0.629 175.581 174.900 0.086 0.000 1.226 318 G CA 0.658 45.805 45.100 0.079 0.000 0.997 318 G HN 0.257 nan 8.290 nan 0.000 0.551 319 D N 1.363 121.801 120.400 0.063 0.000 2.328 319 D HA 0.132 4.772 4.640 -0.000 0.000 0.221 319 D C 1.247 177.574 176.300 0.045 0.000 1.072 319 D CA 0.496 54.522 54.000 0.044 0.000 0.850 319 D CB 0.224 41.041 40.800 0.028 0.000 0.922 319 D HN 0.447 nan 8.370 nan 0.000 0.516 320 K N 0.674 121.123 120.400 0.082 0.000 3.109 320 K HA 0.125 4.445 4.320 -0.000 0.000 0.214 320 K C 0.151 176.771 176.600 0.034 0.000 1.196 320 K CA -0.215 56.115 56.287 0.072 0.000 1.115 320 K CB 0.894 33.456 32.500 0.104 0.000 1.103 320 K HN -0.181 nan 8.250 nan 0.000 0.467 321 S N 2.691 118.371 115.700 -0.033 0.000 2.642 321 S HA -0.002 4.468 4.470 -0.000 0.000 0.308 321 S C -1.894 172.525 174.600 -0.301 0.000 1.255 321 S CA -0.980 57.097 58.200 -0.206 0.000 1.057 321 S CB 0.250 63.368 63.200 -0.137 0.000 0.785 321 S HN 0.154 nan 8.310 nan 0.000 0.500 322 P HA 0.288 nan 4.420 nan 0.000 0.275 322 P C -0.944 176.218 177.300 -0.230 0.000 1.266 322 P CA -0.533 62.342 63.100 -0.375 0.000 0.793 322 P CB 0.200 31.591 31.700 -0.515 0.000 1.074 323 A N 0.921 123.678 122.820 -0.105 0.000 2.488 323 A HA 0.357 4.677 4.320 -0.000 0.000 0.249 323 A C 0.110 177.652 177.584 -0.070 0.000 1.083 323 A CA 0.171 52.200 52.037 -0.013 0.000 0.768 323 A CB -0.941 18.128 19.000 0.114 0.000 1.017 323 A HN 0.422 nan 8.150 nan 0.000 0.496 324 I N 2.079 122.611 120.570 -0.062 0.000 2.545 324 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 324 I C 0.137 176.293 176.117 0.065 0.000 1.040 324 I CA -0.173 61.050 61.300 -0.127 0.000 1.068 324 I CB 2.406 40.314 38.000 -0.153 0.000 1.251 324 I HN 0.756 nan 8.210 nan 0.000 0.424 325 S N 3.930 119.713 115.700 0.139 0.000 2.546 325 S HA 0.840 5.310 4.470 -0.000 0.000 0.274 325 S C -0.807 173.902 174.600 0.182 0.000 1.121 325 S CA -0.865 57.465 58.200 0.217 0.000 0.887 325 S CB 2.055 65.402 63.200 0.245 0.000 1.094 325 S HN 0.720 nan 8.310 nan 0.000 0.474 326 A N 1.972 124.892 122.820 0.167 0.000 2.341 326 A HA 0.557 4.877 4.320 -0.000 0.000 0.326 326 A C 1.200 178.784 177.584 0.001 0.000 1.402 326 A CA -0.242 51.818 52.037 0.038 0.000 0.957 326 A CB -0.513 18.419 19.000 -0.114 0.000 1.151 326 A HN 1.228 nan 8.150 nan 0.000 0.533 327 T N -0.039 114.528 114.554 0.022 0.000 3.051 327 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 327 T C 1.351 176.015 174.700 -0.059 0.000 1.127 327 T CA 1.236 63.321 62.100 -0.025 0.000 1.107 327 T CB -0.317 68.534 68.868 -0.029 0.000 0.898 327 T HN 0.639 nan 8.240 nan 0.000 0.517 328 K N 1.221 121.573 120.400 -0.079 0.000 2.280 328 K HA 0.129 4.449 4.320 -0.000 0.000 0.202 328 K C 2.613 179.166 176.600 -0.078 0.000 1.047 328 K CA 0.945 57.172 56.287 -0.101 0.000 0.942 328 K CB -0.361 32.013 32.500 -0.210 0.000 0.739 328 K HN 0.495 nan 8.250 nan 0.000 0.457 329 A N 0.948 123.716 122.820 -0.087 0.000 2.019 329 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 329 A C 2.004 179.557 177.584 -0.051 0.000 1.164 329 A CA 1.309 53.304 52.037 -0.071 0.000 0.644 329 A CB -0.286 18.672 19.000 -0.071 0.000 0.805 329 A HN 0.195 nan 8.150 nan 0.000 0.449 330 M N -1.059 118.505 119.600 -0.059 0.000 2.325 330 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 330 M C 2.253 178.524 176.300 -0.048 0.000 1.094 330 M CA 1.762 57.025 55.300 -0.062 0.000 1.161 330 M CB -0.113 32.425 32.600 -0.102 0.000 1.358 330 M HN 0.593 nan 8.290 nan 0.000 0.446 331 T N -2.686 111.839 114.554 -0.049 0.000 3.037 331 T HA 0.441 4.791 4.350 -0.000 0.000 0.251 331 T C 1.055 175.770 174.700 0.024 0.000 1.079 331 T CA 0.318 62.407 62.100 -0.018 0.000 1.067 331 T CB -0.046 68.832 68.868 0.016 0.000 0.948 331 T HN 0.542 nan 8.240 nan 0.000 0.496 332 G N 1.301 110.119 108.800 0.031 0.000 2.796 332 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.226 332 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.226 332 G C -0.819 174.130 174.900 0.081 0.000 1.381 332 G CA -0.272 44.878 45.100 0.084 0.000 0.867 332 G HN 0.832 nan 8.290 nan 0.000 0.552 333 H N 0.623 119.687 119.070 -0.010 0.000 2.623 333 H HA 0.602 5.158 4.556 -0.000 0.000 0.299 333 H C 1.474 176.716 175.328 -0.143 0.000 1.052 333 H CA -0.104 55.842 56.048 -0.170 0.000 1.231 333 H CB 0.660 30.164 29.762 -0.429 0.000 1.389 333 H HN 0.843 nan 8.280 nan 0.000 0.469 334 S N 4.906 120.697 115.700 0.151 0.000 2.710 334 S HA 0.164 4.634 4.470 -0.000 0.000 0.224 334 S C 1.188 175.777 174.600 -0.017 0.000 0.948 334 S CA -0.078 58.139 58.200 0.029 0.000 0.949 334 S CB -0.599 62.606 63.200 0.009 0.000 0.778 334 S HN 0.721 nan 8.310 nan 0.000 0.498 335 L N -0.417 120.746 121.223 -0.099 0.000 5.712 335 L HA -0.321 4.019 4.340 -0.000 0.000 0.053 335 L C 2.162 179.012 176.870 -0.033 0.000 2.787 335 L CA 1.309 55.981 54.840 -0.280 0.000 1.527 335 L CB -1.994 39.884 42.059 -0.303 0.000 2.908 335 L HN 0.426 nan 8.230 nan 0.000 0.994 336 G N -1.064 107.725 108.800 -0.019 0.000 2.470 336 G HA2 0.074 4.034 3.960 -0.000 0.000 0.220 336 G HA3 0.074 4.034 3.960 -0.000 0.000 0.220 336 G C 1.212 176.122 174.900 0.017 0.000 1.121 336 G CA 1.194 46.306 45.100 0.021 0.000 0.766 336 G HN 0.857 nan 8.290 nan 0.000 0.553 337 A N 0.341 123.168 122.820 0.011 0.000 2.218 337 A HA 0.639 4.959 4.320 -0.000 0.000 0.209 337 A C 2.527 180.089 177.584 -0.037 0.000 1.168 337 A CA 1.256 53.288 52.037 -0.008 0.000 0.804 337 A CB -0.195 18.805 19.000 0.001 0.000 0.834 337 A HN 0.497 nan 8.150 nan 0.000 0.482 338 A N 0.038 122.855 122.820 -0.004 0.000 1.902 338 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 338 A C 2.309 179.842 177.584 -0.086 0.000 1.181 338 A CA 1.845 53.867 52.037 -0.025 0.000 0.623 338 A CB -1.192 17.828 19.000 0.033 0.000 0.818 338 A HN 0.646 nan 8.150 nan 0.000 0.443 339 G N -0.926 107.830 108.800 -0.074 0.000 2.421 339 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 339 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 339 G C 1.640 176.450 174.900 -0.150 0.000 1.171 339 G CA 1.258 46.289 45.100 -0.115 0.000 0.775 339 G HN 0.565 nan 8.290 nan 0.000 0.543 340 V N 0.105 119.933 119.914 -0.143 0.000 2.453 340 V HA -0.103 4.017 4.120 -0.000 0.000 0.247 340 V C 2.704 178.641 176.094 -0.263 0.000 1.048 340 V CA 2.398 64.596 62.300 -0.170 0.000 1.049 340 V CB -0.237 31.510 31.823 -0.127 0.000 0.672 340 V HN 0.497 nan 8.190 nan 0.000 0.457 341 Q N -0.348 119.266 119.800 -0.311 0.000 2.084 341 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 341 Q C 2.157 177.566 176.000 -0.985 0.000 0.978 341 Q CA 2.229 57.683 55.803 -0.582 0.000 0.844 341 Q CB -0.137 28.321 28.738 -0.467 0.000 0.898 341 Q HN 0.727 nan 8.270 nan 0.000 0.426 342 E N 0.422 120.281 120.200 -0.568 0.000 2.152 342 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 342 E C 1.934 178.411 176.600 -0.205 0.000 0.983 342 E CA 0.682 56.878 56.400 -0.340 0.000 0.818 342 E CB -0.064 29.583 29.700 -0.088 0.000 0.758 342 E HN 0.335 nan 8.360 nan 0.000 0.467 343 A N 1.273 123.967 122.820 -0.209 0.000 1.883 343 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 343 A C 2.178 179.663 177.584 -0.164 0.000 1.186 343 A CA 1.197 53.144 52.037 -0.150 0.000 0.624 343 A CB -0.613 18.296 19.000 -0.150 0.000 0.822 343 A HN 0.156 nan 8.150 nan 0.000 0.444 344 I N -1.543 118.871 120.570 -0.260 0.000 2.226 344 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 344 I C 2.369 178.439 176.117 -0.078 0.000 1.100 344 I CA 1.313 62.478 61.300 -0.225 0.000 1.374 344 I CB -0.453 37.386 38.000 -0.267 0.000 1.057 344 I HN 0.397 nan 8.210 nan 0.000 0.413 345 Y N 0.788 121.065 120.300 -0.038 0.000 2.165 345 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 345 Y C 2.938 178.809 175.900 -0.049 0.000 1.155 345 Y CA 0.957 59.044 58.100 -0.022 0.000 1.164 345 Y CB -1.432 37.022 38.460 -0.010 0.000 0.978 345 Y HN 0.118 nan 8.280 nan 0.000 0.513 346 S N 0.068 115.841 115.700 0.121 0.000 2.368 346 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 346 S C 2.160 176.772 174.600 0.019 0.000 1.029 346 S CA 1.117 59.372 58.200 0.091 0.000 0.988 346 S CB -0.632 62.648 63.200 0.134 0.000 0.838 346 S HN 0.353 nan 8.310 nan 0.000 0.462 347 L N 0.951 122.173 121.223 -0.002 0.000 2.093 347 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 347 L C 2.163 179.079 176.870 0.077 0.000 1.085 347 L CA 0.906 55.742 54.840 -0.007 0.000 0.755 347 L CB -0.507 41.468 42.059 -0.141 0.000 0.904 347 L HN 0.281 nan 8.230 nan 0.000 0.435 348 L N -1.205 120.084 121.223 0.111 0.000 2.109 348 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 348 L C 2.612 179.655 176.870 0.289 0.000 1.086 348 L CA 1.117 56.140 54.840 0.306 0.000 0.760 348 L CB -0.310 41.933 42.059 0.306 0.000 0.910 348 L HN 0.296 nan 8.230 nan 0.000 0.437 349 M N -0.780 118.772 119.600 -0.081 0.000 2.117 349 M HA -0.234 4.246 4.480 -0.000 0.000 0.262 349 M C 2.323 178.511 176.300 -0.186 0.000 1.065 349 M CA 1.630 56.616 55.300 -0.523 0.000 1.114 349 M CB -0.360 31.732 32.600 -0.846 0.000 1.361 349 M HN 0.209 nan 8.290 nan 0.000 0.408 350 L N 0.628 121.810 121.223 -0.069 0.000 2.046 350 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 350 L C 2.240 179.130 176.870 0.034 0.000 1.077 350 L CA 2.013 56.850 54.840 -0.004 0.000 0.747 350 L CB -0.534 41.540 42.059 0.026 0.000 0.896 350 L HN 0.228 nan 8.230 nan 0.000 0.432 351 E N -1.507 118.738 120.200 0.076 0.000 2.107 351 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 351 E C 1.795 178.271 176.600 -0.206 0.000 0.982 351 E CA 1.409 57.795 56.400 -0.025 0.000 0.809 351 E CB -0.069 29.676 29.700 0.076 0.000 0.756 351 E HN 0.640 nan 8.360 nan 0.000 0.459 352 H N -1.520 117.665 119.070 0.191 0.000 2.586 352 H HA 0.289 4.845 4.556 -0.000 0.000 0.273 352 H C 0.600 176.076 175.328 0.246 0.000 0.997 352 H CA 0.565 56.747 56.048 0.224 0.000 1.177 352 H CB 0.948 30.880 29.762 0.284 0.000 1.471 352 H HN 0.263 nan 8.280 nan 0.000 0.538 353 G N 1.976 110.920 108.800 0.241 0.000 2.326 353 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.286 353 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.286 353 G C -0.302 174.741 174.900 0.239 0.000 1.096 353 G CA 0.547 45.739 45.100 0.154 0.000 1.003 353 G HN 0.455 nan 8.290 nan 0.000 0.503 354 F N -1.821 118.114 119.950 -0.025 0.000 2.686 354 F HA 0.833 5.360 4.527 -0.000 0.000 0.311 354 F C -0.857 174.847 175.800 -0.160 0.000 1.128 354 F CA -2.887 55.074 58.000 -0.064 0.000 0.946 354 F CB 1.053 40.026 39.000 -0.045 0.000 1.336 354 F HN 0.056 nan 8.300 nan 0.000 0.457 355 I N 2.746 123.144 120.570 -0.286 0.000 2.362 355 I HA 0.629 4.799 4.170 -0.000 0.000 0.289 355 I C 0.228 176.221 176.117 -0.207 0.000 0.994 355 I CA -1.013 59.991 61.300 -0.493 0.000 1.158 355 I CB 1.524 39.380 38.000 -0.241 0.000 1.315 355 I HN 0.962 nan 8.210 nan 0.000 0.451 356 A N 9.161 131.770 122.820 -0.351 0.000 2.445 356 A HA 0.495 4.815 4.320 -0.000 0.000 0.242 356 A C -2.335 175.264 177.584 0.026 0.000 1.075 356 A CA -1.023 51.019 52.037 0.009 0.000 0.777 356 A CB -0.347 18.644 19.000 -0.016 0.000 1.013 356 A HN 0.434 nan 8.150 nan 0.000 0.493 357 P HA 0.144 nan 4.420 nan 0.000 0.277 357 P C -0.351 176.981 177.300 0.053 0.000 1.240 357 P CA -0.274 62.857 63.100 0.052 0.000 0.798 357 P CB 1.108 32.832 31.700 0.039 0.000 0.979 358 S N 2.201 117.947 115.700 0.076 0.000 2.485 358 S HA 0.320 4.790 4.470 -0.000 0.000 0.312 358 S C 0.669 175.302 174.600 0.055 0.000 1.102 358 S CA -0.697 57.554 58.200 0.085 0.000 1.066 358 S CB -1.444 61.854 63.200 0.164 0.000 1.102 358 S HN 0.330 nan 8.310 nan 0.000 0.519 359 I N 1.975 122.557 120.570 0.020 0.000 3.021 359 I HA 0.483 4.653 4.170 -0.000 0.000 0.303 359 I C 0.467 176.581 176.117 -0.005 0.000 1.044 359 I CA -0.531 60.772 61.300 0.005 0.000 1.266 359 I CB 0.387 38.381 38.000 -0.011 0.000 1.447 359 I HN 0.486 nan 8.210 nan 0.000 0.593 360 N N 1.100 119.793 118.700 -0.011 0.000 2.800 360 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 360 N C -0.519 174.985 175.510 -0.010 0.000 1.078 360 N CA 1.083 54.116 53.050 -0.029 0.000 0.804 360 N CB -1.577 36.867 38.487 -0.071 0.000 1.135 360 N HN 0.631 nan 8.380 nan 0.000 0.565 361 I N 0.858 121.442 120.570 0.023 0.000 2.294 361 I HA 0.027 4.197 4.170 -0.000 0.000 0.295 361 I C 1.417 177.562 176.117 0.046 0.000 1.098 361 I CA 0.057 61.386 61.300 0.049 0.000 1.277 361 I CB 0.987 39.036 38.000 0.081 0.000 1.434 361 I HN -0.053 nan 8.210 nan 0.000 0.498 362 E N 4.341 124.572 120.200 0.053 0.000 2.166 362 E HA 0.053 4.403 4.350 -0.000 0.000 0.192 362 E C 0.200 176.845 176.600 0.075 0.000 0.967 362 E CA 0.847 57.284 56.400 0.062 0.000 0.840 362 E CB 0.325 30.069 29.700 0.072 0.000 0.795 362 E HN 0.715 nan 8.360 nan 0.000 0.470 363 E N 0.439 120.692 120.200 0.088 0.000 2.279 363 E HA 0.286 4.636 4.350 -0.000 0.000 0.252 363 E C -1.095 175.535 176.600 0.050 0.000 0.894 363 E CA -0.277 56.166 56.400 0.071 0.000 0.785 363 E CB 1.618 31.373 29.700 0.091 0.000 1.237 363 E HN 0.159 nan 8.360 nan 0.000 0.418 364 L N 3.058 124.309 121.223 0.046 0.000 2.455 364 L HA 0.093 4.433 4.340 -0.000 0.000 0.272 364 L C 0.339 177.230 176.870 0.035 0.000 1.174 364 L CA 0.497 55.367 54.840 0.049 0.000 0.869 364 L CB 0.543 42.621 42.059 0.032 0.000 1.130 364 L HN 0.685 nan 8.230 nan 0.000 0.474 365 D N 2.733 123.167 120.400 0.056 0.000 2.472 365 D HA -0.124 4.516 4.640 -0.000 0.000 0.237 365 D C 1.164 177.474 176.300 0.015 0.000 1.141 365 D CA 0.565 54.589 54.000 0.040 0.000 0.875 365 D CB 1.319 42.170 40.800 0.086 0.000 1.192 365 D HN 0.675 nan 8.370 nan 0.000 0.450 366 E N 2.651 122.856 120.200 0.009 0.000 2.204 366 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 366 E C 1.297 177.894 176.600 -0.005 0.000 0.990 366 E CA 1.290 57.691 56.400 0.002 0.000 0.821 366 E CB -0.488 29.214 29.700 0.004 0.000 0.750 366 E HN 0.718 nan 8.360 nan 0.000 0.477 367 Q N -0.489 119.310 119.800 -0.001 0.000 2.444 367 Q HA 0.326 4.666 4.340 -0.000 0.000 0.206 367 Q C 2.143 178.117 176.000 -0.043 0.000 0.948 367 Q CA 0.664 56.462 55.803 -0.008 0.000 0.946 367 Q CB 0.184 28.930 28.738 0.012 0.000 1.027 367 Q HN 0.636 nan 8.270 nan 0.000 0.513 368 A N 1.158 123.937 122.820 -0.069 0.000 2.208 368 A HA 0.320 4.640 4.320 -0.000 0.000 0.209 368 A C 1.167 178.698 177.584 -0.088 0.000 1.161 368 A CA 0.198 52.155 52.037 -0.134 0.000 0.782 368 A CB -0.033 18.850 19.000 -0.195 0.000 0.816 368 A HN 0.297 nan 8.150 nan 0.000 0.477 369 A N -0.822 121.969 122.820 -0.049 0.000 2.540 369 A HA 0.421 4.741 4.320 -0.000 0.000 0.239 369 A C 1.645 179.210 177.584 -0.032 0.000 1.061 369 A CA 0.728 52.746 52.037 -0.033 0.000 0.758 369 A CB -0.625 18.364 19.000 -0.017 0.000 0.991 369 A HN 1.957 nan 8.150 nan 0.000 0.502 370 G N 0.849 109.632 108.800 -0.029 0.000 2.195 370 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.246 370 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.246 370 G C 0.044 174.924 174.900 -0.033 0.000 0.984 370 G CA 0.463 45.550 45.100 -0.022 0.000 0.633 370 G HN 0.844 nan 8.290 nan 0.000 0.525 371 L N -0.486 120.702 121.223 -0.058 0.000 2.286 371 L HA 0.622 4.962 4.340 -0.000 0.000 0.265 371 L C 0.132 176.951 176.870 -0.085 0.000 1.012 371 L CA -1.242 53.549 54.840 -0.082 0.000 0.818 371 L CB 1.534 43.522 42.059 -0.120 0.000 1.337 371 L HN 0.038 nan 8.230 nan 0.000 0.438 372 N N 1.636 120.278 118.700 -0.097 0.000 3.091 372 N HA 0.332 5.072 4.740 -0.000 0.000 0.255 372 N C -0.924 174.541 175.510 -0.075 0.000 1.204 372 N CA -0.238 52.768 53.050 -0.074 0.000 0.990 372 N CB -0.071 38.378 38.487 -0.064 0.000 1.260 372 N HN 0.398 nan 8.380 nan 0.000 0.502 373 I N 2.012 122.533 120.570 -0.082 0.000 2.379 373 I HA 0.133 4.303 4.170 -0.000 0.000 0.290 373 I C -0.001 176.117 176.117 0.000 0.000 1.063 373 I CA -0.730 60.532 61.300 -0.062 0.000 1.351 373 I CB 0.930 38.864 38.000 -0.111 0.000 1.410 373 I HN -0.039 nan 8.210 nan 0.000 0.505 374 V N 5.980 125.917 119.914 0.038 0.000 2.406 374 V HA 0.131 4.251 4.120 -0.000 0.000 0.272 374 V C 1.109 177.239 176.094 0.061 0.000 1.043 374 V CA -0.111 62.219 62.300 0.050 0.000 0.915 374 V CB 1.212 33.075 31.823 0.067 0.000 0.988 374 V HN 0.915 nan 8.190 nan 0.000 0.466 375 T N -0.029 114.552 114.554 0.046 0.000 3.044 375 T HA 0.233 4.583 4.350 -0.000 0.000 0.260 375 T C 0.223 174.945 174.700 0.036 0.000 1.019 375 T CA -0.158 61.970 62.100 0.046 0.000 0.921 375 T CB 0.350 69.242 68.868 0.042 0.000 1.053 375 T HN 0.467 nan 8.240 nan 0.000 0.533 376 E N 0.926 121.148 120.200 0.036 0.000 2.314 376 E HA 0.482 4.832 4.350 -0.000 0.000 0.272 376 E C -0.718 175.907 176.600 0.043 0.000 0.884 376 E CA -0.872 55.547 56.400 0.031 0.000 0.753 376 E CB 1.683 31.397 29.700 0.023 0.000 1.213 376 E HN 0.408 nan 8.360 nan 0.000 0.432 377 T N 2.759 117.341 114.554 0.047 0.000 2.822 377 T HA 0.132 4.482 4.350 -0.000 0.000 0.288 377 T C -0.059 174.688 174.700 0.077 0.000 0.991 377 T CA 0.613 62.763 62.100 0.082 0.000 1.176 377 T CB 0.032 68.929 68.868 0.050 0.000 0.951 377 T HN 0.408 nan 8.240 nan 0.000 0.526 378 T N 4.336 118.953 114.554 0.106 0.000 2.847 378 T HA 0.224 4.573 4.350 -0.000 0.000 0.291 378 T C -0.392 174.370 174.700 0.105 0.000 0.998 378 T CA -0.919 61.225 62.100 0.074 0.000 0.967 378 T CB 1.008 69.901 68.868 0.042 0.000 0.954 378 T HN 0.436 nan 8.240 nan 0.000 0.441 379 D N 2.962 123.416 120.400 0.089 0.000 2.425 379 D HA 0.361 5.001 4.640 -0.000 0.000 0.247 379 D C 0.422 176.761 176.300 0.065 0.000 1.147 379 D CA 0.332 54.392 54.000 0.100 0.000 0.879 379 D CB 0.795 41.634 40.800 0.065 0.000 1.179 379 D HN 0.417 nan 8.370 nan 0.000 0.456 380 R N 0.300 120.838 120.500 0.063 0.000 2.633 380 R HA 0.086 4.426 4.340 -0.000 0.000 0.255 380 R C -1.552 174.765 176.300 0.027 0.000 1.106 380 R CA -0.542 55.577 56.100 0.032 0.000 0.959 380 R CB 1.162 31.471 30.300 0.014 0.000 1.259 380 R HN 0.228 nan 8.270 nan 0.000 0.453 381 E N 5.474 125.687 120.200 0.023 0.000 2.166 381 E HA 0.251 4.601 4.350 -0.000 0.000 0.279 381 E C -0.671 175.936 176.600 0.012 0.000 1.095 381 E CA -0.143 56.269 56.400 0.019 0.000 0.888 381 E CB 0.233 29.943 29.700 0.017 0.000 1.041 381 E HN 0.398 nan 8.360 nan 0.000 0.414 382 L N 4.016 125.242 121.223 0.005 0.000 2.344 382 L HA 0.513 4.853 4.340 -0.000 0.000 0.272 382 L C 1.372 178.250 176.870 0.013 0.000 1.035 382 L CA -0.588 54.257 54.840 0.007 0.000 0.807 382 L CB 2.071 44.124 42.059 -0.011 0.000 1.237 382 L HN 0.594 nan 8.230 nan 0.000 0.442 383 T N -1.481 113.086 114.554 0.021 0.000 3.028 383 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 383 T C 0.226 174.942 174.700 0.026 0.000 0.979 383 T CA 0.294 62.406 62.100 0.019 0.000 1.004 383 T CB 0.672 69.549 68.868 0.016 0.000 1.120 383 T HN 0.595 nan 8.240 nan 0.000 0.482 384 T N 2.840 117.416 114.554 0.037 0.000 2.879 384 T HA 0.682 5.032 4.350 -0.000 0.000 0.290 384 T C -0.807 173.929 174.700 0.059 0.000 0.993 384 T CA -0.715 61.411 62.100 0.044 0.000 0.975 384 T CB 2.092 70.987 68.868 0.044 0.000 0.981 384 T HN 0.219 nan 8.240 nan 0.000 0.439 385 V N 1.031 120.983 119.914 0.065 0.000 2.914 385 V HA 0.890 5.010 4.120 -0.000 0.000 0.314 385 V C -0.714 175.406 176.094 0.044 0.000 1.084 385 V CA -1.241 61.110 62.300 0.085 0.000 0.963 385 V CB 2.195 34.116 31.823 0.164 0.000 1.025 385 V HN 0.995 nan 8.190 nan 0.000 0.432 386 M N 2.814 122.410 119.600 -0.006 0.000 2.518 386 M HA 0.794 5.274 4.480 -0.000 0.000 0.300 386 M C -1.105 175.156 176.300 -0.065 0.000 1.175 386 M CA -0.280 55.014 55.300 -0.011 0.000 0.890 386 M CB 2.259 34.877 32.600 0.029 0.000 1.710 386 M HN 1.023 nan 8.290 nan 0.000 0.453 387 S N 2.848 118.520 115.700 -0.047 0.000 2.619 387 S HA 0.585 5.055 4.470 -0.000 0.000 0.280 387 S C -1.631 172.901 174.600 -0.112 0.000 1.150 387 S CA -0.776 57.377 58.200 -0.079 0.000 0.978 387 S CB 1.159 64.323 63.200 -0.060 0.000 1.041 387 S HN 0.849 nan 8.310 nan 0.000 0.485 388 N N 2.153 120.750 118.700 -0.172 0.000 2.443 388 N HA 0.601 5.341 4.740 -0.000 0.000 0.295 388 N C -1.273 173.892 175.510 -0.574 0.000 1.076 388 N CA -0.346 52.489 53.050 -0.358 0.000 0.919 388 N CB 1.868 40.128 38.487 -0.379 0.000 1.176 388 N HN 0.510 nan 8.380 nan 0.000 0.487 389 S N 1.360 116.567 115.700 -0.821 0.000 2.571 389 S HA 0.668 5.138 4.470 -0.000 0.000 0.284 389 S C -1.217 172.722 174.600 -1.102 0.000 1.128 389 S CA -0.614 57.026 58.200 -0.933 0.000 0.970 389 S CB 0.752 63.687 63.200 -0.442 0.000 1.039 389 S HN 0.304 nan 8.310 nan 0.000 0.485 390 F N 0.575 119.955 119.950 -0.950 0.000 2.593 390 F HA 0.906 5.433 4.527 -0.000 0.000 0.320 390 F C 0.713 176.364 175.800 -0.249 0.000 1.060 390 F CA -0.939 56.815 58.000 -0.410 0.000 0.940 390 F CB 1.751 40.619 39.000 -0.220 0.000 1.268 390 F HN 0.720 nan 8.300 nan 0.000 0.475 391 G N 0.037 108.955 108.800 0.196 0.000 2.672 391 G HA2 0.583 4.543 3.960 -0.000 0.000 0.292 391 G HA3 0.583 4.543 3.960 -0.000 0.000 0.292 391 G C -1.574 173.532 174.900 0.342 0.000 1.375 391 G CA -0.752 44.460 45.100 0.188 0.000 0.890 391 G HN 0.222 nan 8.290 nan 0.000 0.476 392 F N 0.489 120.545 119.950 0.177 0.000 2.646 392 F HA 0.350 4.877 4.527 -0.000 0.000 0.363 392 F C 1.728 177.592 175.800 0.106 0.000 1.143 392 F CA 1.131 59.217 58.000 0.144 0.000 1.356 392 F CB 0.570 39.659 39.000 0.149 0.000 1.055 392 F HN 1.172 nan 8.300 nan 0.000 0.606 393 G N 0.677 109.633 108.800 0.260 0.000 2.175 393 G HA2 0.031 3.991 3.960 -0.000 0.000 0.244 393 G HA3 0.031 3.991 3.960 -0.000 0.000 0.244 393 G C 0.849 175.821 174.900 0.120 0.000 0.982 393 G CA 0.286 45.477 45.100 0.150 0.000 0.641 393 G HN 1.916 nan 8.290 nan 0.000 0.527 394 G N -0.896 107.988 108.800 0.140 0.000 2.295 394 G HA2 0.098 4.057 3.960 -0.000 0.000 0.287 394 G HA3 0.098 4.057 3.960 -0.000 0.000 0.287 394 G C 0.310 175.273 174.900 0.105 0.000 1.055 394 G CA 1.368 46.524 45.100 0.093 0.000 0.922 394 G HN 1.948 nan 8.290 nan 0.000 0.503 395 T N 0.295 114.946 114.554 0.162 0.000 2.767 395 T HA 0.589 4.939 4.350 -0.000 0.000 0.284 395 T C -0.076 174.792 174.700 0.280 0.000 0.973 395 T CA -0.620 61.601 62.100 0.202 0.000 0.996 395 T CB 0.387 69.379 68.868 0.207 0.000 0.927 395 T HN 0.328 nan 8.240 nan 0.000 0.456 396 N N 2.917 121.796 118.700 0.298 0.000 2.258 396 N HA 0.694 5.434 4.740 -0.000 0.000 0.299 396 N C -1.310 174.318 175.510 0.197 0.000 1.047 396 N CA -0.603 52.646 53.050 0.332 0.000 0.814 396 N CB 2.118 40.767 38.487 0.269 0.000 1.413 396 N HN 0.751 nan 8.380 nan 0.000 0.478 397 A N 0.822 123.632 122.820 -0.016 0.000 2.422 397 A HA 0.793 5.113 4.320 -0.000 0.000 0.302 397 A C -0.779 176.752 177.584 -0.088 0.000 1.041 397 A CA -0.483 51.457 52.037 -0.163 0.000 0.708 397 A CB 1.317 19.965 19.000 -0.587 0.000 1.257 397 A HN 0.446 nan 8.150 nan 0.000 0.414 398 T N 2.245 116.809 114.554 0.017 0.000 2.916 398 T HA 0.599 4.949 4.350 -0.000 0.000 0.298 398 T C -0.845 173.912 174.700 0.096 0.000 1.031 398 T CA -0.233 61.880 62.100 0.022 0.000 0.993 398 T CB 0.924 69.824 68.868 0.053 0.000 1.045 398 T HN 0.497 nan 8.240 nan 0.000 0.454 399 L N 2.631 123.879 121.223 0.043 0.000 2.346 399 L HA 0.793 5.133 4.340 -0.000 0.000 0.276 399 L C -0.766 176.127 176.870 0.039 0.000 1.006 399 L CA -1.132 53.741 54.840 0.056 0.000 0.817 399 L CB 1.997 44.049 42.059 -0.011 0.000 1.272 399 L HN 0.329 nan 8.230 nan 0.000 0.421 400 V N 3.785 123.731 119.914 0.054 0.000 2.487 400 V HA 0.526 4.646 4.120 -0.000 0.000 0.298 400 V C -0.144 175.970 176.094 0.034 0.000 1.028 400 V CA -0.364 61.964 62.300 0.047 0.000 0.860 400 V CB 1.843 33.703 31.823 0.061 0.000 0.991 400 V HN 0.714 nan 8.190 nan 0.000 0.427 401 M N 4.981 124.598 119.600 0.028 0.000 2.393 401 M HA 0.656 5.136 4.480 -0.000 0.000 0.316 401 M C -0.618 175.697 176.300 0.026 0.000 1.087 401 M CA -0.481 54.830 55.300 0.019 0.000 0.937 401 M CB 2.688 35.293 32.600 0.010 0.000 1.668 401 M HN 0.597 nan 8.290 nan 0.000 0.438 402 R N 1.703 122.215 120.500 0.019 0.000 2.651 402 R HA 0.451 4.791 4.340 -0.000 0.000 0.278 402 R C -1.114 175.192 176.300 0.009 0.000 1.010 402 R CA -0.780 55.331 56.100 0.018 0.000 0.896 402 R CB 2.091 32.400 30.300 0.016 0.000 1.211 402 R HN 0.626 nan 8.270 nan 0.000 0.456 403 K N 2.874 123.279 120.400 0.008 0.000 2.469 403 K HA 0.032 4.352 4.320 -0.000 0.000 0.274 403 K C 0.220 176.814 176.600 -0.011 0.000 0.983 403 K CA 0.182 56.467 56.287 -0.004 0.000 0.974 403 K CB 0.453 32.951 32.500 -0.004 0.000 0.913 403 K HN 0.410 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.209 121.223 -0.024 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 404 L CB 0.000 42.038 42.059 -0.036 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502