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 2vba_1_B 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 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 2.359 122.766 120.400 0.010 0.000 2.436 2 K HA 0.325 4.645 4.320 -0.000 0.000 0.275 2 K C -0.624 175.979 176.600 0.005 0.000 0.999 2 K CA 0.074 56.364 56.287 0.006 0.000 0.980 2 K CB 0.448 32.950 32.500 0.002 0.000 0.919 2 K HN 0.628 nan 8.250 nan 0.000 0.484 3 R N 0.496 120.997 120.500 0.001 0.000 2.540 3 R HA 0.507 4.847 4.340 -0.000 0.000 0.287 3 R C -0.460 175.833 176.300 -0.011 0.000 0.980 3 R CA -0.635 55.464 56.100 -0.001 0.000 0.966 3 R CB 1.640 31.939 30.300 -0.001 0.000 1.106 3 R HN 0.641 nan 8.270 nan 0.000 0.480 4 A N 2.151 124.961 122.820 -0.016 0.000 2.331 4 A HA 0.625 4.945 4.320 -0.000 0.000 0.320 4 A C -0.437 177.127 177.584 -0.034 0.000 1.138 4 A CA -0.676 51.341 52.037 -0.034 0.000 0.790 4 A CB 1.101 20.075 19.000 -0.044 0.000 1.206 4 A HN 0.526 nan 8.150 nan 0.000 0.470 5 V N 0.104 119.993 119.914 -0.041 0.000 3.074 5 V HA 0.731 4.850 4.120 -0.000 0.000 0.314 5 V C -0.619 175.450 176.094 -0.043 0.000 1.117 5 V CA -1.082 61.196 62.300 -0.036 0.000 1.014 5 V CB 1.763 33.566 31.823 -0.032 0.000 1.057 5 V HN 0.623 nan 8.190 nan 0.000 0.438 6 I N 2.915 123.473 120.570 -0.019 0.000 2.321 6 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 6 I C 1.035 177.207 176.117 0.091 0.000 0.998 6 I CA 0.185 61.483 61.300 -0.004 0.000 1.227 6 I CB 1.232 39.212 38.000 -0.033 0.000 1.368 6 I HN 1.051 nan 8.210 nan 0.000 0.466 7 T N 1.001 115.601 114.554 0.078 0.000 3.043 7 T HA 0.491 4.841 4.350 -0.000 0.000 0.272 7 T C 0.480 175.319 174.700 0.232 0.000 0.990 7 T CA -0.292 61.879 62.100 0.118 0.000 0.897 7 T CB 0.537 69.422 68.868 0.028 0.000 1.111 7 T HN 0.778 nan 8.240 nan 0.000 0.529 8 G N 1.390 110.323 108.800 0.221 0.000 2.616 8 G HA2 0.558 4.518 3.960 -0.000 0.000 0.294 8 G HA3 0.558 4.518 3.960 -0.000 0.000 0.294 8 G C -2.109 172.809 174.900 0.029 0.000 1.489 8 G CA -0.852 44.380 45.100 0.220 0.000 0.836 8 G HN 0.683 nan 8.290 nan 0.000 0.527 9 L N -1.315 119.905 121.223 -0.004 0.000 2.469 9 L HA 1.070 5.409 4.340 -0.000 0.000 0.256 9 L C -0.052 176.785 176.870 -0.054 0.000 1.006 9 L CA -0.825 53.950 54.840 -0.108 0.000 0.832 9 L CB 1.786 43.679 42.059 -0.277 0.000 1.421 9 L HN 1.384 nan 8.230 nan 0.000 0.410 10 G N 0.509 109.267 108.800 -0.071 0.000 2.733 10 G HA2 0.763 4.723 3.960 -0.000 0.000 0.297 10 G HA3 0.763 4.723 3.960 -0.000 0.000 0.297 10 G C -2.133 172.734 174.900 -0.055 0.000 1.422 10 G CA -0.602 44.468 45.100 -0.049 0.000 0.942 10 G HN 1.048 nan 8.290 nan 0.000 0.510 11 I N 0.543 121.095 120.570 -0.032 0.000 2.753 11 I HA 0.558 4.728 4.170 -0.000 0.000 0.291 11 I C -1.569 174.536 176.117 -0.021 0.000 1.425 11 I CA -0.837 60.442 61.300 -0.035 0.000 1.039 11 I CB 2.247 40.226 38.000 -0.035 0.000 1.349 11 I HN 0.381 nan 8.210 nan 0.000 0.430 12 V N 6.459 126.346 119.914 -0.045 0.000 2.447 12 V HA 0.641 4.761 4.120 -0.000 0.000 0.292 12 V C -0.326 175.671 176.094 -0.161 0.000 1.021 12 V CA -0.228 62.019 62.300 -0.088 0.000 0.850 12 V CB 1.466 33.241 31.823 -0.081 0.000 1.005 12 V HN 0.802 nan 8.190 nan 0.000 0.426 13 S N 2.278 117.909 115.700 -0.114 0.000 2.661 13 S HA 0.447 4.917 4.470 -0.000 0.000 0.285 13 S C 1.109 175.650 174.600 -0.099 0.000 1.138 13 S CA 0.084 58.232 58.200 -0.086 0.000 0.855 13 S CB 1.862 65.098 63.200 0.060 0.000 1.136 13 S HN 0.923 nan 8.310 nan 0.000 0.484 14 S N 0.676 116.325 115.700 -0.085 0.000 2.440 14 S HA -0.128 4.342 4.470 -0.000 0.000 0.238 14 S C 1.462 176.032 174.600 -0.049 0.000 1.010 14 S CA 1.225 59.377 58.200 -0.079 0.000 0.972 14 S CB -1.161 62.005 63.200 -0.057 0.000 0.774 14 S HN 1.093 nan 8.310 nan 0.000 0.501 15 I N -2.494 118.054 120.570 -0.037 0.000 3.941 15 I HA 0.669 4.838 4.170 -0.000 0.000 0.335 15 I C 0.597 176.694 176.117 -0.033 0.000 1.402 15 I CA -0.304 60.967 61.300 -0.048 0.000 1.112 15 I CB 0.166 38.106 38.000 -0.101 0.000 1.043 15 I HN 0.317 nan 8.210 nan 0.000 0.395 16 G N 1.009 109.796 108.800 -0.022 0.000 2.368 16 G HA2 0.026 3.986 3.960 -0.000 0.000 0.303 16 G HA3 0.026 3.986 3.960 -0.000 0.000 0.303 16 G C -0.888 174.004 174.900 -0.014 0.000 1.590 16 G CA -0.645 44.446 45.100 -0.015 0.000 0.938 16 G HN -0.008 nan 8.290 nan 0.000 0.675 17 N N 0.103 118.796 118.700 -0.013 0.000 2.270 17 N HA 0.131 4.871 4.740 -0.000 0.000 0.198 17 N C 0.360 175.872 175.510 0.005 0.000 1.117 17 N CA 0.646 53.690 53.050 -0.011 0.000 0.845 17 N CB 0.285 38.770 38.487 -0.004 0.000 0.980 17 N HN 0.824 nan 8.380 nan 0.000 0.486 18 N N -1.714 116.991 118.700 0.009 0.000 3.227 18 N HA -0.025 4.715 4.740 -0.000 0.000 0.241 18 N C 0.314 175.839 175.510 0.025 0.000 1.480 18 N CA -0.648 52.412 53.050 0.017 0.000 0.886 18 N CB 0.447 38.945 38.487 0.018 0.000 1.406 18 N HN -0.144 nan 8.380 nan 0.000 0.514 19 Q N -1.262 118.559 119.800 0.035 0.000 2.224 19 Q HA -0.071 4.269 4.340 -0.000 0.000 0.203 19 Q C 0.700 176.719 176.000 0.032 0.000 0.970 19 Q CA 1.384 57.217 55.803 0.051 0.000 0.865 19 Q CB -0.250 28.534 28.738 0.077 0.000 0.922 19 Q HN 0.614 nan 8.270 nan 0.000 0.445 20 Q N 1.341 121.150 119.800 0.014 0.000 2.046 20 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 20 Q C 1.762 177.742 176.000 -0.033 0.000 0.975 20 Q CA 1.948 57.740 55.803 -0.018 0.000 0.836 20 Q CB 0.048 28.779 28.738 -0.012 0.000 0.896 20 Q HN 0.566 nan 8.270 nan 0.000 0.428 21 E N -0.410 119.780 120.200 -0.017 0.000 2.072 21 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 21 E C 1.998 178.582 176.600 -0.026 0.000 0.985 21 E CA 1.227 57.612 56.400 -0.024 0.000 0.801 21 E CB -0.019 29.672 29.700 -0.015 0.000 0.750 21 E HN 0.109 nan 8.360 nan 0.000 0.452 22 V N 1.592 121.506 119.914 0.001 0.000 2.295 22 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 22 V C 2.329 178.418 176.094 -0.009 0.000 1.049 22 V CA 1.478 63.788 62.300 0.017 0.000 1.024 22 V CB -0.402 31.487 31.823 0.110 0.000 0.648 22 V HN 0.231 nan 8.190 nan 0.000 0.447 23 L N 0.973 122.188 121.223 -0.014 0.000 2.042 23 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 23 L C 2.426 179.207 176.870 -0.149 0.000 1.076 23 L CA 2.486 57.287 54.840 -0.064 0.000 0.749 23 L CB -1.001 40.956 42.059 -0.170 0.000 0.893 23 L HN 0.222 nan 8.230 nan 0.000 0.432 24 A N -1.528 121.213 122.820 -0.133 0.000 1.902 24 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 24 A C 2.392 179.902 177.584 -0.122 0.000 1.181 24 A CA 1.963 53.915 52.037 -0.142 0.000 0.623 24 A CB -0.961 17.977 19.000 -0.102 0.000 0.818 24 A HN 0.538 nan 8.150 nan 0.000 0.443 25 S N -0.153 115.491 115.700 -0.093 0.000 2.368 25 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 25 S C 1.834 176.378 174.600 -0.094 0.000 1.030 25 S CA 1.379 59.526 58.200 -0.088 0.000 0.999 25 S CB -0.452 62.696 63.200 -0.088 0.000 0.844 25 S HN 0.508 nan 8.310 nan 0.000 0.459 26 L N 0.926 122.099 121.223 -0.084 0.000 2.046 26 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 26 L C 2.704 179.582 176.870 0.013 0.000 1.077 26 L CA 1.334 56.169 54.840 -0.008 0.000 0.747 26 L CB -0.437 41.712 42.059 0.150 0.000 0.896 26 L HN 0.227 nan 8.230 nan 0.000 0.432 27 R N -0.075 120.316 120.500 -0.181 0.000 2.115 27 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 27 R C 1.902 178.113 176.300 -0.149 0.000 1.111 27 R CA 1.145 57.058 56.100 -0.312 0.000 0.976 27 R CB -0.137 29.857 30.300 -0.511 0.000 0.870 27 R HN 0.471 nan 8.270 nan 0.000 0.445 28 E N -0.599 119.532 120.200 -0.115 0.000 2.442 28 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 28 E C 0.639 177.209 176.600 -0.051 0.000 1.030 28 E CA 0.312 56.665 56.400 -0.078 0.000 0.869 28 E CB 0.511 30.166 29.700 -0.074 0.000 0.857 28 E HN 0.474 nan 8.360 nan 0.000 0.505 29 G N 2.756 111.530 108.800 -0.044 0.000 2.221 29 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.265 29 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.265 29 G C 0.073 174.950 174.900 -0.039 0.000 1.041 29 G CA 0.351 45.431 45.100 -0.032 0.000 0.807 29 G HN 0.188 nan 8.290 nan 0.000 0.502 30 R N 0.397 120.867 120.500 -0.050 0.000 2.308 30 R HA 0.483 4.823 4.340 -0.000 0.000 0.305 30 R C 0.677 176.951 176.300 -0.043 0.000 1.053 30 R CA 0.208 56.283 56.100 -0.042 0.000 0.957 30 R CB 0.653 30.926 30.300 -0.045 0.000 1.022 30 R HN 0.261 nan 8.270 nan 0.000 0.461 31 S N 1.886 117.571 115.700 -0.025 0.000 2.564 31 S HA 0.185 4.655 4.470 -0.000 0.000 0.278 31 S C 0.951 175.546 174.600 -0.007 0.000 1.333 31 S CA -0.106 58.084 58.200 -0.016 0.000 1.048 31 S CB 1.080 64.281 63.200 0.002 0.000 0.900 31 S HN 0.773 nan 8.310 nan 0.000 0.505 32 G N 3.949 112.745 108.800 -0.006 0.000 3.337 32 G HA2 0.246 4.206 3.960 -0.000 0.000 0.246 32 G HA3 0.246 4.206 3.960 -0.000 0.000 0.246 32 G C 0.040 174.967 174.900 0.044 0.000 1.131 32 G CA -0.239 44.864 45.100 0.004 0.000 0.773 32 G HN 0.589 nan 8.290 nan 0.000 0.544 33 I N 2.412 123.023 120.570 0.069 0.000 2.385 33 I HA 0.413 4.583 4.170 -0.000 0.000 0.294 33 I C 0.516 176.732 176.117 0.166 0.000 0.988 33 I CA -0.610 60.767 61.300 0.128 0.000 1.265 33 I CB 0.710 38.777 38.000 0.111 0.000 1.388 33 I HN 0.059 nan 8.210 nan 0.000 0.480 34 T N 2.504 117.213 114.554 0.259 0.000 2.901 34 T HA 0.532 4.881 4.350 -0.000 0.000 0.293 34 T C -0.460 174.402 174.700 0.269 0.000 1.084 34 T CA -0.732 61.532 62.100 0.273 0.000 1.008 34 T CB 1.749 70.796 68.868 0.299 0.000 1.170 34 T HN 0.205 nan 8.240 nan 0.000 0.509 35 F N 1.864 121.867 119.950 0.088 0.000 2.529 35 F HA 0.502 5.029 4.527 -0.000 0.000 0.365 35 F C 0.532 176.254 175.800 -0.130 0.000 1.102 35 F CA -0.018 57.980 58.000 -0.004 0.000 1.271 35 F CB 0.735 39.740 39.000 0.009 0.000 1.120 35 F HN 0.686 nan 8.300 nan 0.000 0.579 36 S N 4.955 119.843 115.700 -1.353 0.000 2.566 36 S HA 0.195 4.665 4.470 -0.000 0.000 0.324 36 S C 0.554 174.293 174.600 -1.435 0.000 1.081 36 S CA -0.687 56.644 58.200 -1.448 0.000 1.105 36 S CB 1.291 63.169 63.200 -2.203 0.000 0.981 36 S HN 0.883 nan 8.310 nan 0.000 0.464 37 Q N 3.459 122.746 119.800 -0.855 0.000 2.170 37 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 37 Q C 1.781 177.539 176.000 -0.403 0.000 0.976 37 Q CA 2.258 57.796 55.803 -0.442 0.000 0.858 37 Q CB -0.159 28.547 28.738 -0.053 0.000 0.907 37 Q HN 0.916 nan 8.270 nan 0.000 0.433 38 E N -0.448 119.513 120.200 -0.397 0.000 2.058 38 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 38 E C 1.802 178.215 176.600 -0.311 0.000 0.997 38 E CA 1.386 57.635 56.400 -0.251 0.000 0.801 38 E CB -0.206 29.461 29.700 -0.054 0.000 0.746 38 E HN 0.468 nan 8.360 nan 0.000 0.450 39 L N 0.584 121.507 121.223 -0.499 0.000 2.056 39 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 39 L C 2.877 179.559 176.870 -0.312 0.000 1.078 39 L CA 1.405 56.062 54.840 -0.305 0.000 0.749 39 L CB -0.502 41.353 42.059 -0.339 0.000 0.901 39 L HN 0.162 nan 8.230 nan 0.000 0.433 40 K N 0.290 120.375 120.400 -0.526 0.000 2.057 40 K HA -0.208 4.111 4.320 -0.000 0.000 0.207 40 K C 1.628 178.001 176.600 -0.378 0.000 1.049 40 K CA 1.813 57.700 56.287 -0.667 0.000 0.931 40 K CB 0.028 32.080 32.500 -0.747 0.000 0.714 40 K HN 0.199 nan 8.250 nan 0.000 0.440 41 D N 0.066 120.278 120.400 -0.313 0.000 2.219 41 D HA -0.115 4.525 4.640 -0.000 0.000 0.205 41 D C 1.857 177.975 176.300 -0.304 0.000 0.970 41 D CA 1.374 55.222 54.000 -0.254 0.000 0.851 41 D CB -0.102 40.566 40.800 -0.220 0.000 0.943 41 D HN 0.335 nan 8.370 nan 0.000 0.488 42 S N -0.856 114.624 115.700 -0.366 0.000 2.515 42 S HA 0.105 4.575 4.470 -0.000 0.000 0.231 42 S C 1.776 176.207 174.600 -0.280 0.000 0.987 42 S CA 0.999 58.908 58.200 -0.486 0.000 0.936 42 S CB 0.076 62.963 63.200 -0.523 0.000 0.766 42 S HN 0.318 nan 8.310 nan 0.000 0.528 43 G N 0.484 109.178 108.800 -0.176 0.000 2.159 43 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.227 43 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.227 43 G C 0.035 174.934 174.900 -0.002 0.000 0.986 43 G CA 0.121 45.171 45.100 -0.084 0.000 0.651 43 G HN 0.494 nan 8.290 nan 0.000 0.523 44 M N -0.451 119.162 119.600 0.022 0.000 2.207 44 M HA 0.366 4.846 4.480 -0.000 0.000 0.311 44 M C 1.889 178.295 176.300 0.178 0.000 1.127 44 M CA 0.193 55.551 55.300 0.097 0.000 1.181 44 M CB 0.440 33.106 32.600 0.110 0.000 1.409 44 M HN 0.174 nan 8.290 nan 0.000 0.461 45 R N -0.386 120.170 120.500 0.094 0.000 2.223 45 R HA 0.106 4.446 4.340 -0.000 0.000 0.198 45 R C 0.416 176.602 176.300 -0.190 0.000 0.984 45 R CA 0.178 56.272 56.100 -0.010 0.000 1.018 45 R CB 0.261 30.544 30.300 -0.028 0.000 0.945 45 R HN 0.545 nan 8.270 nan 0.000 0.479 46 S N 0.418 116.092 115.700 -0.044 0.000 2.452 46 S HA 0.144 4.614 4.470 -0.000 0.000 0.284 46 S C -0.123 174.511 174.600 0.057 0.000 1.171 46 S CA -0.574 57.585 58.200 -0.067 0.000 1.064 46 S CB 0.346 63.532 63.200 -0.024 0.000 0.967 46 S HN 0.339 nan 8.310 nan 0.000 0.484 47 H N 2.854 121.876 119.070 -0.080 0.000 2.512 47 H HA 0.338 4.894 4.556 -0.000 0.000 0.276 47 H C -0.056 175.077 175.328 -0.324 0.000 1.126 47 H CA -0.616 55.291 56.048 -0.236 0.000 1.060 47 H CB 0.545 30.247 29.762 -0.100 0.000 1.646 47 H HN 0.451 nan 8.280 nan 0.000 0.571 48 V N -1.712 118.162 119.914 -0.066 0.000 2.914 48 V HA 0.645 4.765 4.120 -0.000 0.000 0.314 48 V C -1.356 174.809 176.094 0.118 0.000 1.084 48 V CA -0.930 61.367 62.300 -0.006 0.000 0.963 48 V CB 2.210 34.101 31.823 0.112 0.000 1.025 48 V HN 0.395 nan 8.190 nan 0.000 0.432 49 W N 1.071 122.387 121.300 0.026 0.000 3.146 49 W HA 0.805 5.465 4.660 -0.000 0.000 0.319 49 W C -0.313 176.224 176.519 0.031 0.000 1.258 49 W CA -1.702 55.660 57.345 0.029 0.000 1.189 49 W CB 0.842 30.314 29.460 0.019 0.000 1.412 49 W HN 1.039 nan 8.180 nan 0.000 0.567 50 G N 3.581 112.493 108.800 0.187 0.000 2.857 50 G HA2 0.326 4.286 3.960 -0.000 0.000 0.326 50 G HA3 0.326 4.286 3.960 -0.000 0.000 0.326 50 G C -0.282 174.499 174.900 -0.198 0.000 0.950 50 G CA -0.604 44.506 45.100 0.018 0.000 1.400 50 G HN 0.571 nan 8.290 nan 0.000 0.473 51 N N 1.048 119.549 118.700 -0.331 0.000 2.515 51 N HA 0.220 4.960 4.740 -0.000 0.000 0.279 51 N C -0.302 175.028 175.510 -0.301 0.000 1.164 51 N CA -0.622 52.100 53.050 -0.546 0.000 0.982 51 N CB 1.879 39.925 38.487 -0.735 0.000 1.170 51 N HN -0.023 nan 8.380 nan 0.000 0.474 52 V N 1.331 121.052 119.914 -0.322 0.000 2.455 52 V HA 0.102 4.222 4.120 -0.000 0.000 0.273 52 V C 0.522 176.535 176.094 -0.135 0.000 1.045 52 V CA -0.367 61.778 62.300 -0.260 0.000 0.976 52 V CB 0.133 31.689 31.823 -0.445 0.000 0.993 52 V HN 0.608 nan 8.190 nan 0.000 0.475 53 K N 5.560 125.910 120.400 -0.084 0.000 2.319 53 K HA 0.569 4.888 4.320 -0.000 0.000 0.237 53 K C -0.974 175.620 176.600 -0.010 0.000 1.113 53 K CA -0.198 56.072 56.287 -0.028 0.000 1.072 53 K CB 0.484 32.977 32.500 -0.012 0.000 1.734 53 K HN 0.415 nan 8.250 nan 0.000 0.429 54 L N 0.845 122.073 121.223 0.007 0.000 2.526 54 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 54 L C -1.772 175.127 176.870 0.048 0.000 0.943 54 L CA -0.552 54.304 54.840 0.028 0.000 0.859 54 L CB 1.933 44.013 42.059 0.034 0.000 1.313 54 L HN 0.205 nan 8.230 nan 0.000 0.406 55 D N 2.162 122.586 120.400 0.041 0.000 2.336 55 D HA 0.222 4.862 4.640 -0.000 0.000 0.249 55 D C 0.897 177.222 176.300 0.041 0.000 1.213 55 D CA 0.447 54.471 54.000 0.039 0.000 0.870 55 D CB 1.355 42.172 40.800 0.029 0.000 1.076 55 D HN 0.712 nan 8.370 nan 0.000 0.483 56 T N -0.200 114.382 114.554 0.046 0.000 3.107 56 T HA 0.041 4.391 4.350 -0.000 0.000 0.249 56 T C 0.842 175.544 174.700 0.003 0.000 1.096 56 T CA -0.240 61.885 62.100 0.041 0.000 1.012 56 T CB -0.275 68.624 68.868 0.051 0.000 0.977 56 T HN 0.225 nan 8.240 nan 0.000 0.527 57 T N 2.463 117.016 114.554 -0.002 0.000 2.871 57 T HA 0.419 4.769 4.350 -0.000 0.000 0.296 57 T C 1.531 176.217 174.700 -0.023 0.000 0.998 57 T CA 0.844 62.931 62.100 -0.021 0.000 1.162 57 T CB 0.157 69.017 68.868 -0.014 0.000 0.947 57 T HN 0.721 nan 8.240 nan 0.000 0.536 58 G N 2.627 111.401 108.800 -0.043 0.000 2.205 58 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.261 58 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.261 58 G C 0.845 175.727 174.900 -0.029 0.000 0.980 58 G CA 0.234 45.310 45.100 -0.039 0.000 0.632 58 G HN 0.682 nan 8.290 nan 0.000 0.533 59 L N -0.059 121.152 121.223 -0.020 0.000 2.478 59 L HA 0.372 4.712 4.340 -0.000 0.000 0.223 59 L C 1.093 177.967 176.870 0.006 0.000 1.140 59 L CA 0.682 55.531 54.840 0.014 0.000 0.842 59 L CB -0.049 42.039 42.059 0.050 0.000 0.953 59 L HN 0.294 nan 8.230 nan 0.000 0.452 60 I N -1.189 119.328 120.570 -0.090 0.000 2.582 60 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 60 I C -0.746 175.251 176.117 -0.200 0.000 1.066 60 I CA -1.039 60.132 61.300 -0.214 0.000 1.053 60 I CB 2.109 39.827 38.000 -0.470 0.000 1.241 60 I HN -0.192 nan 8.210 nan 0.000 0.421 61 D N 3.581 123.873 120.400 -0.179 0.000 2.506 61 D HA -0.043 4.597 4.640 -0.000 0.000 0.234 61 D C 1.134 177.326 176.300 -0.179 0.000 1.143 61 D CA 0.165 54.081 54.000 -0.139 0.000 0.871 61 D CB 0.817 41.554 40.800 -0.105 0.000 1.190 61 D HN 0.394 nan 8.370 nan 0.000 0.459 62 R N 2.967 123.375 120.500 -0.153 0.000 2.105 62 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 62 R C 1.976 178.136 176.300 -0.233 0.000 1.135 62 R CA 2.449 58.432 56.100 -0.194 0.000 0.967 62 R CB -0.707 29.497 30.300 -0.160 0.000 0.861 62 R HN 0.414 nan 8.270 nan 0.000 0.442 63 K N -0.324 119.979 120.400 -0.162 0.000 2.283 63 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 63 K C 2.064 178.612 176.600 -0.086 0.000 1.048 63 K CA 1.582 57.795 56.287 -0.125 0.000 0.948 63 K CB -0.510 31.970 32.500 -0.034 0.000 0.742 63 K HN 0.163 nan 8.250 nan 0.000 0.458 64 V N -0.880 118.953 119.914 -0.134 0.000 2.492 64 V HA -0.039 4.081 4.120 -0.000 0.000 0.241 64 V C 2.209 178.182 176.094 -0.202 0.000 1.041 64 V CA 1.030 63.263 62.300 -0.110 0.000 1.057 64 V CB 0.755 32.425 31.823 -0.254 0.000 0.711 64 V HN 0.342 nan 8.190 nan 0.000 0.468 65 V N 2.324 122.044 119.914 -0.324 0.000 2.809 65 V HA -0.157 3.963 4.120 -0.000 0.000 0.256 65 V C 2.743 178.588 176.094 -0.415 0.000 1.080 65 V CA 1.907 63.997 62.300 -0.350 0.000 1.102 65 V CB -0.627 31.001 31.823 -0.325 0.000 0.705 65 V HN 0.697 nan 8.190 nan 0.000 0.475 66 R N -0.998 119.152 120.500 -0.583 0.000 2.193 66 R HA -0.138 4.202 4.340 -0.000 0.000 0.229 66 R C 1.720 177.396 176.300 -1.040 0.000 1.110 66 R CA 1.966 57.502 56.100 -0.941 0.000 0.988 66 R CB -0.684 28.855 30.300 -1.270 0.000 0.871 66 R HN 0.489 nan 8.270 nan 0.000 0.458 67 F N 0.847 120.554 119.950 -0.404 0.000 2.789 67 F HA 0.338 4.865 4.527 -0.000 0.000 0.300 67 F C 0.937 176.582 175.800 -0.258 0.000 1.132 67 F CA 0.047 57.899 58.000 -0.247 0.000 1.404 67 F CB 0.089 39.013 39.000 -0.126 0.000 1.114 67 F HN -0.108 nan 8.300 nan 0.000 0.584 68 M N 0.001 119.488 119.600 -0.188 0.000 2.363 68 M HA 0.296 4.776 4.480 -0.000 0.000 0.343 68 M C 0.525 176.649 176.300 -0.292 0.000 1.165 68 M CA -0.595 54.593 55.300 -0.187 0.000 1.046 68 M CB 1.633 34.120 32.600 -0.187 0.000 1.648 68 M HN 0.014 nan 8.290 nan 0.000 0.452 69 S N 0.355 115.927 115.700 -0.213 0.000 2.713 69 S HA 0.288 4.757 4.470 -0.000 0.000 0.277 69 S C 0.388 174.913 174.600 -0.125 0.000 1.168 69 S CA -0.730 57.400 58.200 -0.118 0.000 0.994 69 S CB 0.881 64.100 63.200 0.031 0.000 1.054 69 S HN 0.662 nan 8.310 nan 0.000 0.555 70 D N 0.942 121.269 120.400 -0.122 0.000 2.144 70 D HA -0.008 4.632 4.640 -0.000 0.000 0.199 70 D C 2.180 178.166 176.300 -0.524 0.000 0.984 70 D CA 1.658 55.396 54.000 -0.436 0.000 0.834 70 D CB -0.889 39.657 40.800 -0.425 0.000 0.955 70 D HN 0.664 nan 8.370 nan 0.000 0.465 71 A N 0.422 123.137 122.820 -0.174 0.000 1.908 71 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 71 A C 2.438 180.018 177.584 -0.007 0.000 1.181 71 A CA 1.973 53.998 52.037 -0.019 0.000 0.627 71 A CB -0.564 18.464 19.000 0.047 0.000 0.818 71 A HN 0.179 nan 8.150 nan 0.000 0.445 72 S N -0.473 115.205 115.700 -0.036 0.000 2.387 72 S HA -0.020 4.450 4.470 -0.000 0.000 0.226 72 S C 1.785 176.404 174.600 0.031 0.000 1.026 72 S CA 1.143 59.355 58.200 0.020 0.000 0.972 72 S CB -0.426 62.775 63.200 0.001 0.000 0.814 72 S HN 0.535 nan 8.310 nan 0.000 0.477 73 I N 0.501 121.006 120.570 -0.108 0.000 2.179 73 I HA -0.221 3.948 4.170 -0.000 0.000 0.242 73 I C 2.013 178.186 176.117 0.093 0.000 1.088 73 I CA 1.370 62.617 61.300 -0.088 0.000 1.357 73 I CB -0.412 37.438 38.000 -0.250 0.000 1.051 73 I HN 0.271 nan 8.210 nan 0.000 0.409 74 Y N 0.743 121.085 120.300 0.069 0.000 2.181 74 Y HA -0.152 4.398 4.550 -0.000 0.000 0.288 74 Y C 2.646 178.591 175.900 0.075 0.000 1.146 74 Y CA 0.709 58.844 58.100 0.059 0.000 1.164 74 Y CB -1.346 37.126 38.460 0.021 0.000 0.982 74 Y HN 0.115 nan 8.280 nan 0.000 0.515 75 A N -0.374 122.587 122.820 0.236 0.000 1.930 75 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 75 A C 2.179 179.860 177.584 0.163 0.000 1.175 75 A CA 1.367 53.494 52.037 0.151 0.000 0.627 75 A CB -1.313 17.757 19.000 0.118 0.000 0.815 75 A HN 0.440 nan 8.150 nan 0.000 0.443 76 F N 0.630 120.634 119.950 0.091 0.000 2.102 76 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 76 F C 1.881 177.768 175.800 0.145 0.000 1.105 76 F CA 1.744 59.836 58.000 0.154 0.000 1.239 76 F CB -0.244 38.823 39.000 0.112 0.000 0.991 76 F HN 0.136 nan 8.300 nan 0.000 0.474 77 L N -0.634 120.806 121.223 0.361 0.000 2.083 77 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 77 L C 2.517 179.418 176.870 0.051 0.000 1.083 77 L CA 1.374 56.343 54.840 0.215 0.000 0.752 77 L CB -0.947 41.252 42.059 0.232 0.000 0.899 77 L HN 0.085 nan 8.230 nan 0.000 0.433 78 S N -0.297 115.427 115.700 0.040 0.000 2.368 78 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 78 S C 1.934 176.461 174.600 -0.123 0.000 1.030 78 S CA 1.685 59.869 58.200 -0.028 0.000 0.999 78 S CB -0.257 62.934 63.200 -0.016 0.000 0.844 78 S HN 0.361 nan 8.310 nan 0.000 0.459 79 M N 1.514 120.984 119.600 -0.218 0.000 2.117 79 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 79 M C 1.979 177.966 176.300 -0.521 0.000 1.065 79 M CA 1.493 56.506 55.300 -0.478 0.000 1.114 79 M CB -0.190 31.952 32.600 -0.763 0.000 1.361 79 M HN 0.235 nan 8.290 nan 0.000 0.408 80 E N -0.190 119.795 120.200 -0.358 0.000 2.085 80 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 80 E C 2.059 178.584 176.600 -0.125 0.000 0.994 80 E CA 1.725 58.009 56.400 -0.193 0.000 0.801 80 E CB -0.216 29.435 29.700 -0.082 0.000 0.743 80 E HN 0.687 nan 8.360 nan 0.000 0.453 81 Q N 0.080 119.827 119.800 -0.088 0.000 2.084 81 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 81 Q C 2.225 178.196 176.000 -0.047 0.000 0.978 81 Q CA 1.367 57.146 55.803 -0.041 0.000 0.844 81 Q CB -0.167 28.559 28.738 -0.020 0.000 0.898 81 Q HN 0.234 nan 8.270 nan 0.000 0.426 82 A N 0.737 123.504 122.820 -0.089 0.000 1.933 82 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 82 A C 2.016 179.581 177.584 -0.031 0.000 1.175 82 A CA 1.063 53.072 52.037 -0.048 0.000 0.628 82 A CB -0.556 18.413 19.000 -0.052 0.000 0.814 82 A HN 0.302 nan 8.150 nan 0.000 0.444 83 I N -0.344 120.145 120.570 -0.136 0.000 2.226 83 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 83 I C 2.947 179.048 176.117 -0.027 0.000 1.100 83 I CA 1.015 62.236 61.300 -0.132 0.000 1.374 83 I CB -0.256 37.524 38.000 -0.366 0.000 1.057 83 I HN 0.360 nan 8.210 nan 0.000 0.413 84 A N 0.222 123.031 122.820 -0.017 0.000 1.898 84 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 84 A C 1.999 179.606 177.584 0.039 0.000 1.181 84 A CA 2.226 54.277 52.037 0.023 0.000 0.620 84 A CB -0.669 18.344 19.000 0.021 0.000 0.819 84 A HN 0.429 nan 8.150 nan 0.000 0.442 85 D N -0.194 120.235 120.400 0.049 0.000 2.144 85 D HA 0.000 4.640 4.640 -0.000 0.000 0.199 85 D C 1.872 178.239 176.300 0.112 0.000 0.984 85 D CA 1.419 55.473 54.000 0.091 0.000 0.834 85 D CB -0.164 40.715 40.800 0.132 0.000 0.955 85 D HN 0.330 nan 8.370 nan 0.000 0.465 86 A N -0.627 122.252 122.820 0.098 0.000 2.119 86 A HA 0.342 4.662 4.320 -0.000 0.000 0.216 86 A C 1.858 179.489 177.584 0.078 0.000 1.152 86 A CA 1.153 53.249 52.037 0.098 0.000 0.708 86 A CB -0.645 18.397 19.000 0.069 0.000 0.805 86 A HN 0.490 nan 8.150 nan 0.000 0.460 87 G N -1.071 107.770 108.800 0.068 0.000 2.198 87 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.257 87 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.257 87 G C -0.074 174.878 174.900 0.086 0.000 1.042 87 G CA 0.339 45.478 45.100 0.064 0.000 0.791 87 G HN 0.459 nan 8.290 nan 0.000 0.502 88 L N 1.414 122.703 121.223 0.110 0.000 2.265 88 L HA 0.469 4.808 4.340 -0.000 0.000 0.288 88 L C 0.808 177.838 176.870 0.267 0.000 1.058 88 L CA -0.565 54.388 54.840 0.187 0.000 0.809 88 L CB 1.466 43.645 42.059 0.200 0.000 1.179 88 L HN 0.198 nan 8.230 nan 0.000 0.429 89 S N 4.085 119.922 115.700 0.229 0.000 2.632 89 S HA 0.257 4.727 4.470 -0.000 0.000 0.271 89 S C -1.651 173.047 174.600 0.163 0.000 1.260 89 S CA -1.130 57.180 58.200 0.184 0.000 1.010 89 S CB 1.204 64.457 63.200 0.088 0.000 0.965 89 S HN 0.447 nan 8.310 nan 0.000 0.534 90 P HA -0.088 nan 4.420 nan 0.000 0.218 90 P C 0.822 177.944 177.300 -0.297 0.000 1.148 90 P CA 1.013 63.894 63.100 -0.364 0.000 0.822 90 P CB 0.084 31.665 31.700 -0.199 0.000 0.784 91 E N -0.243 119.888 120.200 -0.114 0.000 2.118 91 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 91 E C 2.107 178.675 176.600 -0.055 0.000 0.992 91 E CA 1.687 58.041 56.400 -0.076 0.000 0.804 91 E CB -0.955 28.728 29.700 -0.027 0.000 0.741 91 E HN 0.215 nan 8.360 nan 0.000 0.458 92 A N -0.013 122.806 122.820 -0.001 0.000 1.898 92 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 92 A C 1.948 179.601 177.584 0.115 0.000 1.183 92 A CA 1.384 53.470 52.037 0.082 0.000 0.622 92 A CB -0.467 18.625 19.000 0.154 0.000 0.824 92 A HN 0.507 nan 8.150 nan 0.000 0.444 93 Y N -1.288 119.057 120.300 0.075 0.000 2.462 93 Y HA 0.449 4.999 4.550 -0.000 0.000 0.253 93 Y C 0.756 176.694 175.900 0.062 0.000 1.095 93 Y CA -0.555 57.604 58.100 0.098 0.000 1.283 93 Y CB -0.182 38.399 38.460 0.202 0.000 1.138 93 Y HN 0.198 nan 8.280 nan 0.000 0.522 94 Q N 1.870 121.348 119.800 -0.536 0.000 2.259 94 Q HA 0.207 4.547 4.340 -0.000 0.000 0.246 94 Q C -0.414 175.399 176.000 -0.312 0.000 0.920 94 Q CA -0.224 55.336 55.803 -0.405 0.000 0.895 94 Q CB 0.617 29.070 28.738 -0.475 0.000 1.220 94 Q HN 0.541 nan 8.270 nan 0.000 0.439 95 N N 1.292 119.698 118.700 -0.490 0.000 2.727 95 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 95 N C -1.027 174.247 175.510 -0.394 0.000 1.048 95 N CA 0.119 52.645 53.050 -0.874 0.000 0.714 95 N CB -0.713 37.503 38.487 -0.452 0.000 0.959 95 N HN 0.440 nan 8.380 nan 0.000 0.544 96 N N 0.146 118.727 118.700 -0.198 0.000 2.491 96 N HA 0.255 4.995 4.740 -0.000 0.000 0.274 96 N C -1.973 173.590 175.510 0.089 0.000 1.023 96 N CA -2.262 50.785 53.050 -0.005 0.000 0.902 96 N CB 1.419 39.913 38.487 0.012 0.000 1.267 96 N HN -0.158 nan 8.380 nan 0.000 0.503 97 P HA -0.031 nan 4.420 nan 0.000 0.228 97 P C 0.368 177.705 177.300 0.062 0.000 1.151 97 P CA 0.804 63.976 63.100 0.121 0.000 0.770 97 P CB 0.441 32.196 31.700 0.092 0.000 0.786 98 R N -0.393 120.127 120.500 0.032 0.000 2.388 98 R HA 0.253 4.593 4.340 -0.000 0.000 0.247 98 R C -0.161 176.109 176.300 -0.049 0.000 0.931 98 R CA -0.055 56.035 56.100 -0.017 0.000 1.082 98 R CB 0.489 30.767 30.300 -0.037 0.000 1.135 98 R HN 0.062 nan 8.270 nan 0.000 0.525 99 V N 0.224 120.141 119.914 0.005 0.000 2.487 99 V HA 0.596 4.716 4.120 -0.000 0.000 0.298 99 V C 0.359 176.489 176.094 0.061 0.000 1.028 99 V CA -0.785 61.522 62.300 0.012 0.000 0.860 99 V CB 1.703 33.593 31.823 0.113 0.000 0.991 99 V HN 0.304 nan 8.190 nan 0.000 0.427 100 G N 3.099 111.906 108.800 0.012 0.000 3.042 100 G HA2 0.837 4.797 3.960 -0.000 0.000 0.278 100 G HA3 0.837 4.797 3.960 -0.000 0.000 0.278 100 G C -1.802 173.133 174.900 0.058 0.000 1.371 100 G CA -0.769 44.338 45.100 0.012 0.000 1.009 100 G HN 0.704 nan 8.290 nan 0.000 0.523 101 L N -0.089 121.123 121.223 -0.018 0.000 2.516 101 L HA 0.672 5.012 4.340 -0.000 0.000 0.267 101 L C -1.522 175.265 176.870 -0.138 0.000 0.957 101 L CA -0.686 54.154 54.840 0.001 0.000 0.860 101 L CB 1.689 43.773 42.059 0.040 0.000 1.265 101 L HN 0.436 nan 8.230 nan 0.000 0.403 102 I N 5.258 125.756 120.570 -0.121 0.000 2.476 102 I HA 0.744 4.914 4.170 -0.000 0.000 0.281 102 I C -0.513 175.585 176.117 -0.031 0.000 1.040 102 I CA -0.323 60.887 61.300 -0.150 0.000 1.094 102 I CB 1.762 39.659 38.000 -0.172 0.000 1.219 102 I HN 0.666 nan 8.210 nan 0.000 0.450 103 A N 4.342 127.169 122.820 0.011 0.000 2.517 103 A HA 0.932 5.252 4.320 -0.000 0.000 0.297 103 A C -0.683 176.938 177.584 0.061 0.000 1.050 103 A CA -0.429 51.627 52.037 0.032 0.000 0.694 103 A CB 1.802 20.814 19.000 0.020 0.000 1.277 103 A HN 0.747 nan 8.150 nan 0.000 0.400 104 G N -0.091 108.748 108.800 0.065 0.000 2.866 104 G HA2 0.833 4.793 3.960 -0.000 0.000 0.289 104 G HA3 0.833 4.793 3.960 -0.000 0.000 0.289 104 G C -0.530 174.413 174.900 0.071 0.000 1.396 104 G CA 0.098 45.245 45.100 0.078 0.000 0.848 104 G HN 1.852 nan 8.290 nan 0.000 0.515 105 S N -1.865 113.880 115.700 0.075 0.000 2.599 105 S HA 0.653 5.123 4.470 -0.000 0.000 0.287 105 S C 0.977 175.624 174.600 0.078 0.000 1.105 105 S CA 0.191 58.434 58.200 0.072 0.000 0.899 105 S CB 1.630 64.874 63.200 0.074 0.000 1.100 105 S HN 1.412 nan 8.310 nan 0.000 0.482 106 G N 0.061 108.906 108.800 0.075 0.000 2.430 106 G HA2 0.306 4.266 3.960 -0.000 0.000 0.216 106 G HA3 0.306 4.266 3.960 -0.000 0.000 0.216 106 G C 0.885 175.851 174.900 0.109 0.000 1.146 106 G CA 0.445 45.600 45.100 0.091 0.000 0.793 106 G HN 1.164 nan 8.290 nan 0.000 0.537 107 G N -1.377 107.486 108.800 0.106 0.000 3.104 107 G HA2 0.456 4.416 3.960 -0.000 0.000 0.237 107 G HA3 0.456 4.416 3.960 -0.000 0.000 0.237 107 G C 1.037 175.991 174.900 0.089 0.000 1.035 107 G CA 0.857 46.023 45.100 0.111 0.000 0.844 107 G HN 1.136 nan 8.290 nan 0.000 0.531 108 G N 0.318 109.168 108.800 0.083 0.000 2.543 108 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.286 108 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.286 108 G C 0.310 175.262 174.900 0.087 0.000 1.153 108 G CA 0.642 45.789 45.100 0.079 0.000 0.968 108 G HN 1.392 nan 8.290 nan 0.000 0.544 109 S N 1.509 117.269 115.700 0.101 0.000 2.389 109 S HA 0.650 5.120 4.470 -0.000 0.000 0.201 109 S C -1.238 173.421 174.600 0.098 0.000 1.422 109 S CA -0.025 58.251 58.200 0.126 0.000 1.216 109 S CB 1.715 65.053 63.200 0.232 0.000 1.130 109 S HN 0.304 nan 8.310 nan 0.000 0.465 110 P HA -0.124 nan 4.420 nan 0.000 0.216 110 P C 1.493 178.745 177.300 -0.081 0.000 1.150 110 P CA 0.750 63.837 63.100 -0.020 0.000 0.843 110 P CB 0.135 31.804 31.700 -0.052 0.000 0.787 111 R N -1.063 119.365 120.500 -0.120 0.000 2.073 111 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 111 R C 1.876 178.030 176.300 -0.244 0.000 1.134 111 R CA 1.679 57.624 56.100 -0.258 0.000 0.952 111 R CB -0.909 29.192 30.300 -0.332 0.000 0.850 111 R HN 0.080 nan 8.270 nan 0.000 0.433 112 F N 0.543 120.514 119.950 0.034 0.000 2.367 112 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 112 F C 2.515 178.414 175.800 0.164 0.000 1.094 112 F CA 0.927 58.998 58.000 0.118 0.000 1.409 112 F CB -0.342 38.694 39.000 0.060 0.000 1.064 112 F HN 0.143 nan 8.300 nan 0.000 0.528 113 Q N 0.660 120.590 119.800 0.218 0.000 2.084 113 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 113 Q C 2.136 178.191 176.000 0.092 0.000 0.978 113 Q CA 1.920 57.808 55.803 0.141 0.000 0.844 113 Q CB -0.669 28.120 28.738 0.084 0.000 0.898 113 Q HN 0.259 nan 8.270 nan 0.000 0.426 114 V N 0.537 120.477 119.914 0.044 0.000 2.453 114 V HA -0.165 3.954 4.120 -0.000 0.000 0.247 114 V C 2.003 178.120 176.094 0.040 0.000 1.048 114 V CA 1.626 63.932 62.300 0.010 0.000 1.049 114 V CB -0.813 30.970 31.823 -0.067 0.000 0.672 114 V HN 0.441 nan 8.190 nan 0.000 0.457 115 F N 2.289 122.207 119.950 -0.054 0.000 2.095 115 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 115 F C 2.167 177.995 175.800 0.046 0.000 1.104 115 F CA 1.875 59.861 58.000 -0.023 0.000 1.232 115 F CB -0.907 38.045 39.000 -0.080 0.000 0.987 115 F HN 0.133 nan 8.300 nan 0.000 0.475 116 G N -0.273 108.509 108.800 -0.030 0.000 2.418 116 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 116 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 116 G C 1.798 176.596 174.900 -0.170 0.000 1.158 116 G CA 0.881 45.907 45.100 -0.125 0.000 0.771 116 G HN 0.652 nan 8.290 nan 0.000 0.545 117 A N 0.877 123.647 122.820 -0.084 0.000 1.930 117 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 117 A C 2.097 179.624 177.584 -0.096 0.000 1.175 117 A CA 2.036 54.034 52.037 -0.065 0.000 0.627 117 A CB -0.340 18.648 19.000 -0.021 0.000 0.815 117 A HN 0.266 nan 8.150 nan 0.000 0.443 118 D N 0.193 120.519 120.400 -0.123 0.000 2.117 118 D HA -0.035 4.605 4.640 -0.000 0.000 0.197 118 D C 2.243 178.437 176.300 -0.177 0.000 0.987 118 D CA 1.565 55.498 54.000 -0.112 0.000 0.829 118 D CB -0.434 40.322 40.800 -0.073 0.000 0.961 118 D HN 0.401 nan 8.370 nan 0.000 0.460 119 A N 0.561 123.169 122.820 -0.353 0.000 1.902 119 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 119 A C 2.138 179.612 177.584 -0.183 0.000 1.181 119 A CA 1.683 53.515 52.037 -0.341 0.000 0.623 119 A CB -0.543 18.078 19.000 -0.632 0.000 0.818 119 A HN 0.172 nan 8.150 nan 0.000 0.443 120 M N -0.182 119.322 119.600 -0.160 0.000 2.213 120 M HA -0.064 4.416 4.480 -0.000 0.000 0.263 120 M C 1.834 178.097 176.300 -0.061 0.000 1.062 120 M CA 1.472 56.720 55.300 -0.088 0.000 1.105 120 M CB -0.388 32.172 32.600 -0.067 0.000 1.385 120 M HN 0.355 nan 8.290 nan 0.000 0.417 121 R N -0.153 120.310 120.500 -0.062 0.000 2.299 121 R HA 0.181 4.520 4.340 -0.000 0.000 0.197 121 R C 1.082 177.363 176.300 -0.032 0.000 0.971 121 R CA 0.352 56.429 56.100 -0.038 0.000 1.030 121 R CB -0.328 29.954 30.300 -0.030 0.000 0.932 121 R HN 0.473 nan 8.270 nan 0.000 0.477 122 G N 0.900 109.675 108.800 -0.041 0.000 2.543 122 G HA2 0.144 4.104 3.960 -0.000 0.000 0.290 122 G HA3 0.144 4.104 3.960 -0.000 0.000 0.290 122 G C -1.627 173.261 174.900 -0.021 0.000 1.310 122 G CA -1.004 44.079 45.100 -0.028 0.000 1.025 122 G HN -0.090 nan 8.290 nan 0.000 0.502 123 P HA -0.021 nan 4.420 nan 0.000 0.223 123 P C 1.295 178.591 177.300 -0.008 0.000 1.151 123 P CA 0.791 63.886 63.100 -0.008 0.000 0.787 123 P CB 0.300 31.998 31.700 -0.003 0.000 0.788 124 R N -0.953 119.541 120.500 -0.010 0.000 2.300 124 R HA 0.224 4.564 4.340 -0.000 0.000 0.199 124 R C 1.603 177.895 176.300 -0.013 0.000 0.920 124 R CA 0.511 56.607 56.100 -0.007 0.000 1.046 124 R CB -0.306 29.995 30.300 0.001 0.000 0.984 124 R HN 0.155 nan 8.270 nan 0.000 0.493 125 G N 1.825 110.611 108.800 -0.023 0.000 2.622 125 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.307 125 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.307 125 G C 0.784 175.668 174.900 -0.027 0.000 1.226 125 G CA 0.421 45.505 45.100 -0.027 0.000 0.997 125 G HN 0.213 nan 8.290 nan 0.000 0.551 126 L N 0.660 121.872 121.223 -0.017 0.000 2.127 126 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 126 L C 2.993 179.861 176.870 -0.003 0.000 1.089 126 L CA 2.109 56.942 54.840 -0.012 0.000 0.757 126 L CB -0.482 41.572 42.059 -0.009 0.000 0.899 126 L HN 0.525 nan 8.230 nan 0.000 0.434 127 K N 0.034 120.434 120.400 -0.001 0.000 2.148 127 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 127 K C 2.190 178.807 176.600 0.028 0.000 1.050 127 K CA 1.217 57.511 56.287 0.010 0.000 0.942 127 K CB -0.163 32.342 32.500 0.009 0.000 0.724 127 K HN 0.289 nan 8.250 nan 0.000 0.446 128 A N 0.946 123.775 122.820 0.015 0.000 1.970 128 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 128 A C 2.297 179.908 177.584 0.045 0.000 1.170 128 A CA 0.783 52.835 52.037 0.026 0.000 0.645 128 A CB -0.291 18.693 19.000 -0.026 0.000 0.816 128 A HN 0.035 nan 8.150 nan 0.000 0.447 129 V N -0.448 119.468 119.914 0.003 0.000 2.307 129 V HA 0.179 4.299 4.120 -0.000 0.000 0.245 129 V C 1.682 177.900 176.094 0.208 0.000 1.045 129 V CA 1.147 63.476 62.300 0.047 0.000 1.024 129 V CB -1.897 29.930 31.823 0.007 0.000 0.651 129 V HN 1.172 nan 8.190 nan 0.000 0.449 130 G N 0.651 109.517 108.800 0.109 0.000 2.829 130 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.628 130 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.628 130 G C -1.627 173.263 174.900 -0.015 0.000 1.412 130 G CA -0.044 45.094 45.100 0.063 0.000 0.864 130 G HN 0.337 nan 8.290 nan 0.000 0.544 131 P HA 0.253 nan 4.420 nan 0.000 0.262 131 P C 0.184 177.263 177.300 -0.368 0.000 1.304 131 P CA 0.652 63.559 63.100 -0.322 0.000 0.859 131 P CB 0.094 31.506 31.700 -0.481 0.000 1.310 132 Y N -1.390 118.927 120.300 0.028 0.000 2.481 132 Y HA 0.125 4.675 4.550 -0.000 0.000 0.247 132 Y C 2.161 178.054 175.900 -0.012 0.000 1.151 132 Y CA -0.129 57.968 58.100 -0.006 0.000 1.238 132 Y CB -0.191 38.183 38.460 -0.143 0.000 1.179 132 Y HN -0.282 nan 8.280 nan 0.000 0.524 133 V N -1.273 118.737 119.914 0.160 0.000 2.548 133 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 133 V C 2.059 178.221 176.094 0.112 0.000 1.055 133 V CA 1.455 63.847 62.300 0.153 0.000 1.065 133 V CB -0.639 31.332 31.823 0.247 0.000 0.681 133 V HN 0.221 nan 8.190 nan 0.000 0.462 134 V N 1.226 121.202 119.914 0.104 0.000 2.295 134 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 134 V C 2.808 178.945 176.094 0.072 0.000 1.049 134 V CA 2.641 64.990 62.300 0.081 0.000 1.024 134 V CB -1.316 30.545 31.823 0.063 0.000 0.648 134 V HN 0.810 nan 8.190 nan 0.000 0.447 135 T N -1.898 112.711 114.554 0.092 0.000 2.915 135 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 135 T C 1.747 176.465 174.700 0.030 0.000 1.071 135 T CA 1.195 63.336 62.100 0.068 0.000 1.132 135 T CB -0.260 68.683 68.868 0.124 0.000 0.878 135 T HN 0.470 nan 8.240 nan 0.000 0.479 136 K N 1.318 121.708 120.400 -0.017 0.000 2.062 136 K HA 0.254 4.574 4.320 -0.000 0.000 0.205 136 K C 2.619 179.233 176.600 0.023 0.000 1.051 136 K CA 1.172 57.391 56.287 -0.114 0.000 0.941 136 K CB -0.206 32.022 32.500 -0.454 0.000 0.719 136 K HN 0.436 nan 8.250 nan 0.000 0.440 137 A N 1.653 124.520 122.820 0.078 0.000 2.095 137 A HA 0.108 4.428 4.320 -0.000 0.000 0.212 137 A C 1.181 178.815 177.584 0.083 0.000 1.162 137 A CA -0.193 51.915 52.037 0.117 0.000 0.753 137 A CB -0.319 18.770 19.000 0.147 0.000 0.840 137 A HN 0.312 nan 8.150 nan 0.000 0.468 138 M N -1.750 117.889 119.600 0.065 0.000 2.245 138 M HA 0.536 5.016 4.480 -0.000 0.000 0.330 138 M C 0.917 177.251 176.300 0.056 0.000 1.098 138 M CA 0.407 55.740 55.300 0.055 0.000 1.172 138 M CB 0.678 33.305 32.600 0.045 0.000 1.467 138 M HN 0.022 nan 8.290 nan 0.000 0.454 139 A N 1.682 124.534 122.820 0.055 0.000 2.067 139 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 139 A C 1.986 179.607 177.584 0.063 0.000 1.158 139 A CA 1.710 53.783 52.037 0.059 0.000 0.661 139 A CB -0.918 18.115 19.000 0.055 0.000 0.801 139 A HN 0.997 nan 8.150 nan 0.000 0.452 140 S N -0.939 114.796 115.700 0.059 0.000 2.634 140 S HA 0.274 4.743 4.470 -0.000 0.000 0.221 140 S C 1.650 176.284 174.600 0.057 0.000 0.952 140 S CA 0.546 58.786 58.200 0.066 0.000 0.930 140 S CB -0.311 62.930 63.200 0.068 0.000 0.780 140 S HN 0.552 nan 8.310 nan 0.000 0.498 141 G N 2.149 110.979 108.800 0.050 0.000 2.469 141 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 141 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 141 G C 1.296 176.224 174.900 0.047 0.000 1.150 141 G CA 1.206 46.330 45.100 0.040 0.000 0.763 141 G HN 0.480 nan 8.290 nan 0.000 0.561 142 V N 1.732 121.680 119.914 0.058 0.000 2.343 142 V HA -0.210 3.909 4.120 -0.000 0.000 0.247 142 V C 3.272 179.411 176.094 0.076 0.000 1.051 142 V CA 2.458 64.799 62.300 0.069 0.000 1.036 142 V CB -0.446 31.419 31.823 0.070 0.000 0.654 142 V HN 0.635 nan 8.190 nan 0.000 0.451 143 S N 0.843 116.584 115.700 0.069 0.000 2.371 143 S HA -0.059 4.411 4.470 -0.000 0.000 0.224 143 S C 2.141 176.778 174.600 0.063 0.000 1.029 143 S CA 1.102 59.340 58.200 0.063 0.000 0.978 143 S CB -0.523 62.714 63.200 0.061 0.000 0.833 143 S HN 0.539 nan 8.310 nan 0.000 0.466 144 A N 0.902 123.751 122.820 0.048 0.000 1.902 144 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 144 A C 2.393 179.985 177.584 0.013 0.000 1.181 144 A CA 1.540 53.588 52.037 0.018 0.000 0.623 144 A CB -1.487 17.508 19.000 -0.007 0.000 0.818 144 A HN 0.690 nan 8.150 nan 0.000 0.443 145 C N -1.193 118.128 119.300 0.035 0.000 2.456 145 C HA 0.126 4.586 4.460 -0.000 0.000 0.279 145 C C 2.263 177.332 174.990 0.132 0.000 1.427 145 C CA 0.690 59.737 59.018 0.048 0.000 1.778 145 C CB -1.225 26.546 27.740 0.052 0.000 1.842 145 C HN 0.528 nan 8.230 nan 0.000 0.531 146 L N 0.337 121.671 121.223 0.185 0.000 2.388 146 L HA 0.251 4.591 4.340 -0.000 0.000 0.209 146 L C 2.607 179.659 176.870 0.303 0.000 1.061 146 L CA 1.456 56.495 54.840 0.333 0.000 0.834 146 L CB -1.108 41.129 42.059 0.296 0.000 1.029 146 L HN 0.170 nan 8.230 nan 0.000 0.473 147 A N -0.973 121.950 122.820 0.171 0.000 1.933 147 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 147 A C 2.321 179.992 177.584 0.144 0.000 1.175 147 A CA 2.311 54.440 52.037 0.153 0.000 0.628 147 A CB -0.867 18.190 19.000 0.096 0.000 0.814 147 A HN 0.382 nan 8.150 nan 0.000 0.444 148 T N 0.411 115.017 114.554 0.087 0.000 2.668 148 T HA -0.065 4.285 4.350 -0.000 0.000 0.262 148 T C -0.119 174.609 174.700 0.047 0.000 1.045 148 T CA 1.683 63.812 62.100 0.048 0.000 1.152 148 T CB -0.977 67.876 68.868 -0.024 0.000 0.864 148 T HN 0.486 nan 8.240 nan 0.000 0.419 149 P HA -0.005 nan 4.420 nan 0.000 0.221 149 P C 0.796 178.006 177.300 -0.150 0.000 1.150 149 P CA 1.059 64.110 63.100 -0.082 0.000 0.800 149 P CB -0.242 31.395 31.700 -0.105 0.000 0.787 150 F N 0.453 120.460 119.950 0.095 0.000 2.797 150 F HA 0.190 4.717 4.527 -0.000 0.000 0.302 150 F C 1.065 176.929 175.800 0.107 0.000 1.130 150 F CA 0.111 58.170 58.000 0.098 0.000 1.387 150 F CB -0.632 38.354 39.000 -0.023 0.000 1.107 150 F HN -0.156 nan 8.300 nan 0.000 0.577 151 K N 0.637 121.145 120.400 0.180 0.000 3.096 151 K HA -0.188 4.132 4.320 -0.000 0.000 0.266 151 K C -0.495 176.169 176.600 0.106 0.000 1.043 151 K CA 0.027 56.369 56.287 0.092 0.000 0.758 151 K CB -1.787 30.696 32.500 -0.029 0.000 1.260 151 K HN 0.112 nan 8.250 nan 0.000 0.481 152 I N 1.140 121.835 120.570 0.208 0.000 2.496 152 I HA 0.008 4.177 4.170 -0.000 0.000 0.285 152 I C 1.818 178.119 176.117 0.307 0.000 1.080 152 I CA 0.497 61.931 61.300 0.222 0.000 1.404 152 I CB 0.571 38.690 38.000 0.198 0.000 1.403 152 I HN 0.275 nan 8.210 nan 0.000 0.539 153 H N 3.334 122.450 119.070 0.076 0.000 2.750 153 H HA 0.161 4.717 4.556 -0.000 0.000 0.263 153 H C 1.384 176.732 175.328 0.033 0.000 0.964 153 H CA 0.058 56.133 56.048 0.046 0.000 1.205 153 H CB 1.331 31.115 29.762 0.036 0.000 1.454 153 H HN 0.766 nan 8.280 nan 0.000 0.503 154 G N 1.096 109.985 108.800 0.148 0.000 2.735 154 G HA2 0.212 4.172 3.960 -0.000 0.000 0.192 154 G HA3 0.212 4.172 3.960 -0.000 0.000 0.192 154 G C 0.179 175.094 174.900 0.026 0.000 1.547 154 G CA 0.087 45.227 45.100 0.067 0.000 1.080 154 G HN 0.129 nan 8.290 nan 0.000 0.569 155 V N -0.722 119.176 119.914 -0.026 0.000 2.999 155 V HA 0.421 4.541 4.120 -0.000 0.000 0.307 155 V C -0.199 175.801 176.094 -0.158 0.000 1.084 155 V CA -0.202 62.037 62.300 -0.102 0.000 1.155 155 V CB 1.136 32.828 31.823 -0.217 0.000 0.975 155 V HN 0.782 nan 8.190 nan 0.000 0.490 156 N N 3.262 121.854 118.700 -0.180 0.000 2.629 156 N HA 0.488 5.228 4.740 -0.000 0.000 0.277 156 N C -1.248 174.232 175.510 -0.049 0.000 1.188 156 N CA -0.593 52.385 53.050 -0.120 0.000 0.835 156 N CB 1.204 39.695 38.487 0.008 0.000 1.420 156 N HN 0.999 nan 8.380 nan 0.000 0.542 157 Y N -0.891 119.431 120.300 0.037 0.000 2.750 157 Y HA 0.701 5.251 4.550 -0.000 0.000 0.335 157 Y C -1.220 174.700 175.900 0.033 0.000 1.252 157 Y CA -1.202 56.916 58.100 0.030 0.000 1.064 157 Y CB 0.376 38.849 38.460 0.023 0.000 1.321 157 Y HN 0.119 nan 8.280 nan 0.000 0.451 158 S N 1.347 117.241 115.700 0.324 0.000 2.472 158 S HA 0.719 5.189 4.470 -0.000 0.000 0.303 158 S C -0.653 174.083 174.600 0.226 0.000 1.099 158 S CA -0.674 57.653 58.200 0.213 0.000 1.077 158 S CB 0.749 64.028 63.200 0.131 0.000 1.031 158 S HN 0.527 nan 8.310 nan 0.000 0.487 159 I N 2.717 123.404 120.570 0.196 0.000 2.488 159 I HA 0.455 4.625 4.170 -0.000 0.000 0.299 159 I C 0.179 176.365 176.117 0.114 0.000 0.984 159 I CA -0.327 61.056 61.300 0.139 0.000 1.250 159 I CB 1.718 39.811 38.000 0.156 0.000 1.389 159 I HN 0.652 nan 8.210 nan 0.000 0.488 160 S N 2.175 117.929 115.700 0.091 0.000 2.536 160 S HA 0.694 5.164 4.470 -0.000 0.000 0.287 160 S C -0.363 174.301 174.600 0.107 0.000 1.101 160 S CA -0.548 57.712 58.200 0.100 0.000 0.950 160 S CB 1.805 65.057 63.200 0.087 0.000 1.056 160 S HN 0.679 nan 8.310 nan 0.000 0.481 161 S N 0.198 115.985 115.700 0.146 0.000 2.586 161 S HA 0.625 5.095 4.470 -0.000 0.000 0.218 161 S C 0.619 175.325 174.600 0.177 0.000 0.761 161 S CA -0.104 58.203 58.200 0.178 0.000 0.999 161 S CB -0.647 62.727 63.200 0.289 0.000 1.634 161 S HN 2.344 nan 8.310 nan 0.000 0.482 162 A N 0.854 123.760 122.820 0.143 0.000 5.391 162 A HA -0.350 3.970 4.320 -0.000 0.000 0.315 162 A C 1.721 179.348 177.584 0.072 0.000 1.874 162 A CA 1.328 53.434 52.037 0.114 0.000 0.714 162 A CB -2.286 16.806 19.000 0.154 0.000 1.335 162 A HN 1.564 nan 8.150 nan 0.000 0.382 163 C N 0.193 119.524 119.300 0.051 0.000 2.422 163 C HA 0.323 4.783 4.460 -0.000 0.000 0.286 163 C C 2.806 177.842 174.990 0.076 0.000 1.412 163 C CA 1.245 60.326 59.018 0.105 0.000 1.786 163 C CB -1.955 25.931 27.740 0.243 0.000 1.835 163 C HN 1.466 nan 8.230 nan 0.000 0.533 164 A N 0.340 123.203 122.820 0.072 0.000 2.275 164 A HA 0.101 4.421 4.320 -0.000 0.000 0.212 164 A C 1.972 179.590 177.584 0.058 0.000 1.201 164 A CA 1.023 53.062 52.037 0.004 0.000 0.843 164 A CB -0.667 18.334 19.000 0.003 0.000 0.873 164 A HN 0.472 nan 8.150 nan 0.000 0.492 165 T N 1.295 115.919 114.554 0.117 0.000 2.565 165 T HA -0.232 4.117 4.350 -0.000 0.000 0.265 165 T C 2.227 176.986 174.700 0.099 0.000 1.082 165 T CA 2.547 64.730 62.100 0.139 0.000 1.173 165 T CB -0.380 68.546 68.868 0.097 0.000 0.864 165 T HN 0.787 nan 8.240 nan 0.000 0.425 166 S N 1.043 116.762 115.700 0.032 0.000 2.527 166 S HA 0.359 4.828 4.470 -0.000 0.000 0.222 166 S C 2.246 176.820 174.600 -0.044 0.000 0.985 166 S CA 0.546 58.746 58.200 -0.000 0.000 0.921 166 S CB -0.223 62.962 63.200 -0.024 0.000 0.772 166 S HN 0.514 nan 8.310 nan 0.000 0.529 167 A N 2.361 125.137 122.820 -0.074 0.000 1.897 167 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 167 A C 2.106 179.621 177.584 -0.116 0.000 1.181 167 A CA 1.235 53.194 52.037 -0.130 0.000 0.620 167 A CB -0.963 17.929 19.000 -0.179 0.000 0.821 167 A HN 0.606 nan 8.150 nan 0.000 0.443 168 H N -0.803 118.290 119.070 0.038 0.000 2.423 168 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 168 H C 2.360 177.671 175.328 -0.029 0.000 1.075 168 H CA 1.326 57.414 56.048 0.067 0.000 1.342 168 H CB -0.543 29.297 29.762 0.131 0.000 1.395 168 H HN 0.539 nan 8.280 nan 0.000 0.530 169 C N 0.571 119.926 119.300 0.092 0.000 2.432 169 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 169 C C 2.995 177.941 174.990 -0.073 0.000 1.249 169 C CA 0.516 59.552 59.018 0.030 0.000 1.725 169 C CB -1.067 26.687 27.740 0.024 0.000 2.028 169 C HN 0.432 nan 8.230 nan 0.000 0.477 170 I N 1.113 121.605 120.570 -0.131 0.000 2.179 170 I HA -0.113 4.056 4.170 -0.000 0.000 0.242 170 I C 2.733 178.645 176.117 -0.342 0.000 1.088 170 I CA 1.833 63.015 61.300 -0.196 0.000 1.357 170 I CB -0.910 36.981 38.000 -0.182 0.000 1.051 170 I HN 0.447 nan 8.210 nan 0.000 0.409 171 G N 0.303 108.731 108.800 -0.620 0.000 2.422 171 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 171 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 171 G C 1.446 175.954 174.900 -0.653 0.000 1.146 171 G CA 0.827 45.089 45.100 -1.397 0.000 0.769 171 G HN 0.419 nan 8.290 nan 0.000 0.547 172 N N 0.799 119.345 118.700 -0.256 0.000 2.188 172 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 172 N C 2.555 178.041 175.510 -0.041 0.000 1.018 172 N CA 0.921 53.964 53.050 -0.013 0.000 0.858 172 N CB -0.095 38.461 38.487 0.115 0.000 0.989 172 N HN 0.260 nan 8.380 nan 0.000 0.426 173 A N 0.846 123.604 122.820 -0.103 0.000 1.908 173 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 173 A C 2.406 179.928 177.584 -0.104 0.000 1.181 173 A CA 1.246 53.217 52.037 -0.111 0.000 0.627 173 A CB -0.847 18.071 19.000 -0.137 0.000 0.818 173 A HN 0.180 nan 8.150 nan 0.000 0.445 174 V N 0.203 120.040 119.914 -0.129 0.000 2.332 174 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 174 V C 2.418 178.498 176.094 -0.023 0.000 1.055 174 V CA 2.420 64.671 62.300 -0.083 0.000 1.038 174 V CB -0.923 30.843 31.823 -0.095 0.000 0.651 174 V HN 0.658 nan 8.190 nan 0.000 0.450 175 E N -0.556 119.648 120.200 0.007 0.000 2.118 175 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 175 E C 2.387 179.005 176.600 0.030 0.000 0.992 175 E CA 1.186 57.619 56.400 0.055 0.000 0.804 175 E CB -0.172 29.591 29.700 0.104 0.000 0.741 175 E HN 0.572 nan 8.360 nan 0.000 0.458 176 Q N 0.267 120.072 119.800 0.009 0.000 2.124 176 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 176 Q C 2.289 178.277 176.000 -0.020 0.000 0.977 176 Q CA 1.049 56.851 55.803 -0.002 0.000 0.850 176 Q CB -0.202 28.521 28.738 -0.026 0.000 0.901 176 Q HN 0.398 nan 8.270 nan 0.000 0.429 177 I N 0.821 121.369 120.570 -0.037 0.000 2.202 177 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 177 I C 2.457 178.565 176.117 -0.015 0.000 1.091 177 I CA 1.178 62.454 61.300 -0.041 0.000 1.368 177 I CB -0.171 37.796 38.000 -0.056 0.000 1.058 177 I HN 0.221 nan 8.210 nan 0.000 0.410 178 Q N 0.193 119.993 119.800 0.001 0.000 2.170 178 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 178 Q C 2.165 178.174 176.000 0.016 0.000 0.976 178 Q CA 1.273 57.084 55.803 0.015 0.000 0.858 178 Q CB -0.131 28.626 28.738 0.033 0.000 0.907 178 Q HN 0.522 nan 8.270 nan 0.000 0.433 179 L N -0.732 120.501 121.223 0.017 0.000 2.552 179 L HA 0.042 4.382 4.340 -0.000 0.000 0.227 179 L C 1.238 178.114 176.870 0.011 0.000 1.146 179 L CA 0.492 55.343 54.840 0.018 0.000 0.858 179 L CB -0.184 41.890 42.059 0.025 0.000 0.969 179 L HN 0.441 nan 8.230 nan 0.000 0.451 180 G N -0.061 108.740 108.800 0.003 0.000 2.148 180 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 180 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 180 G C 1.032 175.929 174.900 -0.005 0.000 0.981 180 G CA 0.617 45.717 45.100 -0.002 0.000 0.670 180 G HN 0.393 nan 8.290 nan 0.000 0.528 181 K N -0.850 119.547 120.400 -0.006 0.000 2.243 181 K HA 0.112 4.432 4.320 -0.000 0.000 0.201 181 K C 0.908 177.495 176.600 -0.021 0.000 1.051 181 K CA 0.778 57.062 56.287 -0.004 0.000 0.970 181 K CB 0.074 32.579 32.500 0.008 0.000 0.755 181 K HN 0.407 nan 8.250 nan 0.000 0.465 182 Q N -0.169 119.604 119.800 -0.044 0.000 2.389 182 Q HA 0.137 4.477 4.340 -0.000 0.000 0.277 182 Q C -0.534 175.393 176.000 -0.122 0.000 1.082 182 Q CA -0.335 55.420 55.803 -0.079 0.000 0.810 182 Q CB 2.031 30.714 28.738 -0.090 0.000 1.374 182 Q HN -0.040 nan 8.270 nan 0.000 0.422 183 D N 0.416 120.701 120.400 -0.192 0.000 2.277 183 D HA 0.238 4.878 4.640 -0.000 0.000 0.209 183 D C 0.264 176.336 176.300 -0.379 0.000 0.970 183 D CA 0.890 54.690 54.000 -0.333 0.000 0.874 183 D CB 1.145 41.578 40.800 -0.612 0.000 0.982 183 D HN 0.371 nan 8.370 nan 0.000 0.504 184 I N 0.638 121.005 120.570 -0.339 0.000 2.619 184 I HA 0.235 4.404 4.170 -0.000 0.000 0.292 184 I C -1.188 174.713 176.117 -0.360 0.000 1.100 184 I CA -0.762 60.307 61.300 -0.385 0.000 1.043 184 I CB 3.297 41.020 38.000 -0.461 0.000 1.239 184 I HN -0.413 nan 8.210 nan 0.000 0.420 185 V N 5.911 125.595 119.914 -0.383 0.000 2.525 185 V HA 0.397 4.517 4.120 -0.000 0.000 0.299 185 V C -0.615 175.250 176.094 -0.383 0.000 1.034 185 V CA -0.624 61.493 62.300 -0.304 0.000 0.863 185 V CB 1.665 33.375 31.823 -0.188 0.000 0.999 185 V HN 0.364 nan 8.190 nan 0.000 0.423 186 F N 3.367 123.216 119.950 -0.170 0.000 2.467 186 F HA 0.636 5.163 4.527 -0.000 0.000 0.362 186 F C 0.756 176.456 175.800 -0.166 0.000 1.090 186 F CA 0.068 57.950 58.000 -0.196 0.000 1.202 186 F CB 0.958 39.800 39.000 -0.263 0.000 1.113 186 F HN 0.572 nan 8.300 nan 0.000 0.541 187 A N 2.453 125.271 122.820 -0.004 0.000 2.393 187 A HA 0.926 5.245 4.320 -0.000 0.000 0.306 187 A C -0.036 177.522 177.584 -0.044 0.000 1.050 187 A CA 0.117 52.128 52.037 -0.043 0.000 0.724 187 A CB 1.441 20.388 19.000 -0.088 0.000 1.248 187 A HN 1.044 nan 8.150 nan 0.000 0.424 188 G N -0.162 108.619 108.800 -0.033 0.000 2.512 188 G HA2 0.746 4.706 3.960 -0.000 0.000 0.181 188 G HA3 0.746 4.706 3.960 -0.000 0.000 0.181 188 G C -0.163 174.732 174.900 -0.009 0.000 1.173 188 G CA 0.412 45.490 45.100 -0.036 0.000 0.988 188 G HN 2.313 nan 8.290 nan 0.000 0.485 189 G N -2.123 106.678 108.800 0.000 0.000 2.349 189 G HA2 0.793 4.753 3.960 -0.000 0.000 0.294 189 G HA3 0.793 4.753 3.960 -0.000 0.000 0.294 189 G C -0.599 174.329 174.900 0.048 0.000 1.380 189 G CA 0.599 45.716 45.100 0.028 0.000 0.811 189 G HN 2.021 nan 8.290 nan 0.000 0.519 190 G N -1.214 107.630 108.800 0.072 0.000 2.692 190 G HA2 0.682 4.642 3.960 -0.000 0.000 0.291 190 G HA3 0.682 4.642 3.960 -0.000 0.000 0.291 190 G C -1.922 173.046 174.900 0.114 0.000 1.423 190 G CA -0.363 44.809 45.100 0.120 0.000 0.843 190 G HN 0.676 nan 8.290 nan 0.000 0.486 191 E N -0.204 120.096 120.200 0.166 0.000 2.321 191 E HA 0.337 4.687 4.350 -0.000 0.000 0.281 191 E C -0.201 176.516 176.600 0.195 0.000 0.910 191 E CA -0.682 55.794 56.400 0.126 0.000 0.770 191 E CB 1.522 31.258 29.700 0.059 0.000 1.225 191 E HN 0.708 nan 8.360 nan 0.000 0.417 192 E N 3.123 123.399 120.200 0.127 0.000 2.371 192 E HA 0.391 4.740 4.350 -0.000 0.000 0.257 192 E C -0.787 175.867 176.600 0.089 0.000 1.134 192 E CA -0.796 55.674 56.400 0.117 0.000 0.919 192 E CB 1.117 30.842 29.700 0.042 0.000 1.025 192 E HN 0.256 nan 8.360 nan 0.000 0.438 193 L N 2.246 123.499 121.223 0.050 0.000 2.349 193 L HA 0.470 4.809 4.340 -0.000 0.000 0.278 193 L C -1.378 175.529 176.870 0.063 0.000 0.996 193 L CA -0.353 54.484 54.840 -0.005 0.000 0.825 193 L CB 1.005 42.922 42.059 -0.237 0.000 1.243 193 L HN 0.929 nan 8.230 nan 0.000 0.412 194 C N 2.258 121.661 119.300 0.172 0.000 3.241 194 C HA 0.396 4.855 4.460 -0.000 0.000 0.348 194 C C 1.044 176.134 174.990 0.167 0.000 1.180 194 C CA -1.024 58.086 59.018 0.153 0.000 1.273 194 C CB 0.506 28.199 27.740 -0.077 0.000 1.620 194 C HN 1.077 nan 8.230 nan 0.000 0.510 195 W N 1.232 122.644 121.300 0.186 0.000 2.374 195 W HA -0.025 4.635 4.660 -0.000 0.000 0.288 195 W C 1.000 177.585 176.519 0.109 0.000 1.218 195 W CA 1.961 59.377 57.345 0.119 0.000 1.245 195 W CB -0.994 28.496 29.460 0.049 0.000 1.126 195 W HN 0.881 nan 8.180 nan 0.000 0.545 196 E N 0.764 120.381 120.200 -0.971 0.000 2.085 196 E HA -0.242 4.107 4.350 -0.000 0.000 0.194 196 E C 2.350 178.799 176.600 -0.252 0.000 0.994 196 E CA 2.560 58.397 56.400 -0.940 0.000 0.801 196 E CB -0.664 28.497 29.700 -0.898 0.000 0.743 196 E HN 0.361 nan 8.360 nan 0.000 0.453 197 M N -0.563 118.984 119.600 -0.088 0.000 2.325 197 M HA 0.102 4.582 4.480 -0.000 0.000 0.265 197 M C 2.066 178.530 176.300 0.274 0.000 1.094 197 M CA 1.166 56.528 55.300 0.103 0.000 1.161 197 M CB 0.132 32.821 32.600 0.149 0.000 1.358 197 M HN 0.156 nan 8.290 nan 0.000 0.446 198 A N 0.286 123.271 122.820 0.275 0.000 1.940 198 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 198 A C 2.301 180.077 177.584 0.320 0.000 1.176 198 A CA 1.762 54.006 52.037 0.345 0.000 0.631 198 A CB -1.698 17.471 19.000 0.282 0.000 0.814 198 A HN 0.867 nan 8.150 nan 0.000 0.446 199 C N -0.529 118.935 119.300 0.273 0.000 2.432 199 C HA -0.016 4.444 4.460 -0.000 0.000 0.282 199 C C 2.109 177.196 174.990 0.162 0.000 1.388 199 C CA 0.896 60.053 59.018 0.233 0.000 1.777 199 C CB -1.500 26.419 27.740 0.299 0.000 1.882 199 C HN 0.659 nan 8.230 nan 0.000 0.520 200 E N 0.558 120.831 120.200 0.121 0.000 2.106 200 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 200 E C 1.719 178.272 176.600 -0.079 0.000 0.984 200 E CA 1.375 57.760 56.400 -0.024 0.000 0.806 200 E CB -0.327 29.284 29.700 -0.148 0.000 0.750 200 E HN 0.764 nan 8.360 nan 0.000 0.458 201 F N 1.237 121.260 119.950 0.122 0.000 2.206 201 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 201 F C 2.225 178.048 175.800 0.037 0.000 1.090 201 F CA 1.003 59.074 58.000 0.118 0.000 1.323 201 F CB -0.129 38.922 39.000 0.086 0.000 1.028 201 F HN -0.036 nan 8.300 nan 0.000 0.492 202 D N 0.313 120.826 120.400 0.189 0.000 2.144 202 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 202 D C 2.230 178.577 176.300 0.078 0.000 0.978 202 D CA 1.187 55.245 54.000 0.096 0.000 0.833 202 D CB -0.192 40.663 40.800 0.092 0.000 0.961 202 D HN 0.167 nan 8.370 nan 0.000 0.470 203 A N 0.657 123.523 122.820 0.076 0.000 2.070 203 A HA -0.105 4.214 4.320 -0.000 0.000 0.220 203 A C 2.189 179.795 177.584 0.038 0.000 1.159 203 A CA 1.527 53.593 52.037 0.049 0.000 0.656 203 A CB -0.752 18.272 19.000 0.039 0.000 0.800 203 A HN 0.507 nan 8.150 nan 0.000 0.453 204 M N -3.027 116.604 119.600 0.051 0.000 2.495 204 M HA 0.437 4.917 4.480 -0.000 0.000 0.237 204 M C 1.086 177.431 176.300 0.076 0.000 1.131 204 M CA 0.714 56.043 55.300 0.049 0.000 1.032 204 M CB -0.012 32.607 32.600 0.032 0.000 1.513 204 M HN 0.553 nan 8.290 nan 0.000 0.488 205 G N 0.785 109.630 108.800 0.074 0.000 2.160 205 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 205 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 205 G C 0.788 175.738 174.900 0.084 0.000 1.008 205 G CA 0.373 45.512 45.100 0.065 0.000 0.724 205 G HN 0.757 nan 8.290 nan 0.000 0.514 206 A N -0.921 121.967 122.820 0.114 0.000 2.072 206 A HA 0.636 4.956 4.320 -0.000 0.000 0.216 206 A C 1.291 178.786 177.584 -0.147 0.000 1.156 206 A CA 0.784 52.902 52.037 0.135 0.000 0.701 206 A CB 0.117 19.372 19.000 0.424 0.000 0.816 206 A HN 0.649 nan 8.150 nan 0.000 0.458 207 L N -0.128 120.972 121.223 -0.205 0.000 2.360 207 L HA 0.341 4.680 4.340 -0.000 0.000 0.271 207 L C 0.715 177.526 176.870 -0.099 0.000 1.057 207 L CA -0.585 54.070 54.840 -0.309 0.000 0.803 207 L CB 1.512 43.421 42.059 -0.249 0.000 1.207 207 L HN 0.146 nan 8.230 nan 0.000 0.445 208 S N 0.101 115.771 115.700 -0.051 0.000 2.537 208 S HA 0.109 4.578 4.470 -0.000 0.000 0.286 208 S C 0.795 175.405 174.600 0.017 0.000 1.299 208 S CA 0.147 58.378 58.200 0.051 0.000 1.067 208 S CB 0.372 63.646 63.200 0.122 0.000 0.864 208 S HN 0.825 nan 8.310 nan 0.000 0.494 209 T N 1.515 116.070 114.554 0.002 0.000 2.986 209 T HA 0.338 4.687 4.350 -0.000 0.000 0.264 209 T C 0.891 175.512 174.700 -0.131 0.000 0.964 209 T CA -0.415 61.635 62.100 -0.083 0.000 0.895 209 T CB -0.066 68.748 68.868 -0.090 0.000 1.163 209 T HN 0.591 nan 8.240 nan 0.000 0.517 210 K N 0.136 120.437 120.400 -0.165 0.000 2.404 210 K HA 0.255 4.575 4.320 -0.000 0.000 0.194 210 K C -0.279 175.993 176.600 -0.548 0.000 1.023 210 K CA 0.274 56.319 56.287 -0.403 0.000 1.094 210 K CB 0.214 32.365 32.500 -0.582 0.000 0.841 210 K HN 0.417 nan 8.250 nan 0.000 0.523 211 Y N -0.077 120.213 120.300 -0.017 0.000 2.716 211 Y HA 0.204 4.754 4.550 -0.000 0.000 0.260 211 Y C 0.826 176.738 175.900 0.020 0.000 1.141 211 Y CA -0.671 57.432 58.100 0.004 0.000 1.168 211 Y CB 0.103 38.575 38.460 0.019 0.000 1.189 211 Y HN 0.002 nan 8.280 nan 0.000 0.549 212 N N 0.527 119.278 118.700 0.085 0.000 2.289 212 N HA -0.146 4.593 4.740 -0.000 0.000 0.184 212 N C 0.821 176.428 175.510 0.163 0.000 1.016 212 N CA 1.352 54.482 53.050 0.133 0.000 0.872 212 N CB 0.053 38.577 38.487 0.062 0.000 0.973 212 N HN 0.431 nan 8.380 nan 0.000 0.433 213 D N -0.242 120.210 120.400 0.086 0.000 2.347 213 D HA -0.025 4.615 4.640 -0.000 0.000 0.215 213 D C 0.465 176.801 176.300 0.060 0.000 0.976 213 D CA 0.795 54.819 54.000 0.040 0.000 0.884 213 D CB 0.055 40.860 40.800 0.009 0.000 0.915 213 D HN 0.315 nan 8.370 nan 0.000 0.526 214 T N -2.308 112.315 114.554 0.115 0.000 3.418 214 T HA 0.341 4.691 4.350 -0.000 0.000 0.315 214 T C -2.400 172.375 174.700 0.126 0.000 1.447 214 T CA -1.651 60.513 62.100 0.108 0.000 1.641 214 T CB 1.850 70.787 68.868 0.115 0.000 0.904 214 T HN -0.288 nan 8.240 nan 0.000 0.640 215 P HA -0.071 nan 4.420 nan 0.000 0.218 215 P C 1.281 178.639 177.300 0.097 0.000 1.148 215 P CA 1.029 64.217 63.100 0.147 0.000 0.822 215 P CB 0.167 31.979 31.700 0.188 0.000 0.784 216 E N -0.557 119.684 120.200 0.069 0.000 2.418 216 E HA -0.088 4.262 4.350 -0.000 0.000 0.197 216 E C 1.169 177.764 176.600 -0.009 0.000 1.026 216 E CA 0.601 57.021 56.400 0.034 0.000 0.862 216 E CB -0.106 29.611 29.700 0.029 0.000 0.799 216 E HN 0.266 nan 8.360 nan 0.000 0.518 217 K N -0.344 120.039 120.400 -0.029 0.000 2.358 217 K HA 0.211 4.531 4.320 -0.000 0.000 0.197 217 K C 1.489 177.901 176.600 -0.314 0.000 1.025 217 K CA 0.217 56.421 56.287 -0.137 0.000 1.104 217 K CB 0.767 33.199 32.500 -0.113 0.000 0.855 217 K HN 0.005 nan 8.250 nan 0.000 0.531 218 A N 1.182 123.908 122.820 -0.157 0.000 1.897 218 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 218 A C 1.435 178.936 177.584 -0.138 0.000 1.181 218 A CA 0.895 52.846 52.037 -0.144 0.000 0.620 218 A CB -0.082 18.977 19.000 0.098 0.000 0.821 218 A HN 0.164 nan 8.150 nan 0.000 0.443 219 S N 0.554 116.212 115.700 -0.071 0.000 2.439 219 S HA 0.452 4.922 4.470 -0.000 0.000 0.282 219 S C 0.268 174.809 174.600 -0.098 0.000 1.170 219 S CA -0.628 57.544 58.200 -0.046 0.000 1.054 219 S CB -0.059 63.139 63.200 -0.003 0.000 0.956 219 S HN 0.507 nan 8.310 nan 0.000 0.490 220 R N 2.616 123.051 120.500 -0.108 0.000 2.570 220 R HA 0.170 4.510 4.340 -0.000 0.000 0.246 220 R C -0.843 175.391 176.300 -0.110 0.000 1.417 220 R CA -0.617 55.414 56.100 -0.113 0.000 1.525 220 R CB -1.038 29.165 30.300 -0.162 0.000 1.403 220 R HN 0.448 nan 8.270 nan 0.000 0.754 221 T N 1.967 116.409 114.554 -0.186 0.000 2.905 221 T HA -0.038 4.312 4.350 -0.000 0.000 0.299 221 T C -0.003 174.485 174.700 -0.353 0.000 1.024 221 T CA 0.977 62.838 62.100 -0.399 0.000 1.151 221 T CB -0.075 68.432 68.868 -0.602 0.000 0.987 221 T HN 0.518 nan 8.240 nan 0.000 0.535 222 Y N -1.354 118.953 120.300 0.011 0.000 4.894 222 Y HA -0.220 4.330 4.550 -0.000 0.000 0.270 222 Y C 0.731 176.635 175.900 0.007 0.000 0.930 222 Y CA 0.485 58.591 58.100 0.011 0.000 1.814 222 Y CB -2.276 36.189 38.460 0.008 0.000 1.235 222 Y HN 0.780 nan 8.280 nan 0.000 0.480 223 D N 0.558 121.015 120.400 0.095 0.000 2.382 223 D HA 0.531 5.171 4.640 -0.000 0.000 0.245 223 D C 1.311 177.634 176.300 0.038 0.000 1.120 223 D CA 0.808 54.852 54.000 0.074 0.000 0.890 223 D CB 1.257 42.089 40.800 0.053 0.000 1.201 223 D HN 0.278 nan 8.370 nan 0.000 0.433 224 A N 3.006 125.814 122.820 -0.019 0.000 2.076 224 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 224 A C 1.102 178.474 177.584 -0.354 0.000 1.160 224 A CA 1.384 53.298 52.037 -0.206 0.000 0.653 224 A CB -0.546 18.254 19.000 -0.333 0.000 0.801 224 A HN 0.782 nan 8.150 nan 0.000 0.455 225 H N -0.704 118.426 119.070 0.100 0.000 2.486 225 H HA 0.186 4.742 4.556 -0.000 0.000 0.284 225 H C 0.523 175.969 175.328 0.195 0.000 1.103 225 H CA -0.372 55.765 56.048 0.149 0.000 1.089 225 H CB 0.100 29.974 29.762 0.187 0.000 1.603 225 H HN 0.586 nan 8.280 nan 0.000 0.557 226 R N 1.516 122.116 120.500 0.168 0.000 2.756 226 R HA 0.001 4.340 4.340 -0.000 0.000 0.264 226 R C -0.450 175.961 176.300 0.186 0.000 1.026 226 R CA 0.605 56.792 56.100 0.144 0.000 1.121 226 R CB 0.451 30.785 30.300 0.057 0.000 0.999 226 R HN 0.269 nan 8.270 nan 0.000 0.449 227 D N 0.139 120.660 120.400 0.202 0.000 2.740 227 D HA 0.217 4.857 4.640 -0.000 0.000 0.305 227 D C 0.076 176.454 176.300 0.129 0.000 1.583 227 D CA 0.131 54.232 54.000 0.168 0.000 0.790 227 D CB 0.351 41.258 40.800 0.177 0.000 1.187 227 D HN 0.922 nan 8.370 nan 0.000 0.447 228 G N 0.412 109.290 108.800 0.130 0.000 2.392 228 G HA2 0.242 4.202 3.960 -0.000 0.000 0.677 228 G HA3 0.242 4.202 3.960 -0.000 0.000 0.677 228 G C -0.581 174.408 174.900 0.147 0.000 1.334 228 G CA -0.674 44.501 45.100 0.124 0.000 0.961 228 G HN 0.341 nan 8.290 nan 0.000 0.616 229 F N -0.500 119.500 119.950 0.083 0.000 2.375 229 F HA 0.801 5.328 4.527 -0.000 0.000 0.313 229 F C 0.261 176.095 175.800 0.056 0.000 1.176 229 F CA -1.346 56.685 58.000 0.052 0.000 1.142 229 F CB 1.174 40.215 39.000 0.067 0.000 1.275 229 F HN 0.404 nan 8.300 nan 0.000 0.544 230 V N 4.262 124.378 119.914 0.336 0.000 2.357 230 V HA 0.278 4.397 4.120 -0.000 0.000 0.284 230 V C 0.195 176.496 176.094 0.345 0.000 1.018 230 V CA -0.860 61.570 62.300 0.217 0.000 0.841 230 V CB 1.081 33.002 31.823 0.163 0.000 0.991 230 V HN 0.862 nan 8.190 nan 0.000 0.437 231 I N 4.488 125.210 120.570 0.254 0.000 2.696 231 I HA 0.558 4.728 4.170 -0.000 0.000 0.284 231 I C 0.485 176.712 176.117 0.185 0.000 1.129 231 I CA 0.483 61.937 61.300 0.256 0.000 1.410 231 I CB 0.982 39.066 38.000 0.141 0.000 1.399 231 I HN 0.801 nan 8.210 nan 0.000 0.579 232 A N 4.628 127.498 122.820 0.083 0.000 2.593 232 A HA 0.870 5.190 4.320 -0.000 0.000 0.290 232 A C -0.666 176.888 177.584 -0.051 0.000 1.126 232 A CA -0.135 51.906 52.037 0.007 0.000 0.695 232 A CB 1.325 20.334 19.000 0.016 0.000 1.290 232 A HN 0.833 nan 8.150 nan 0.000 0.414 233 G N -1.736 106.992 108.800 -0.120 0.000 2.730 233 G HA2 0.930 4.890 3.960 -0.000 0.000 0.289 233 G HA3 0.930 4.890 3.960 -0.000 0.000 0.289 233 G C -0.059 174.710 174.900 -0.218 0.000 1.341 233 G CA -0.239 44.804 45.100 -0.094 0.000 0.932 233 G HN 2.269 nan 8.290 nan 0.000 0.481 234 G N -2.065 106.599 108.800 -0.228 0.000 2.350 234 G HA2 0.616 4.576 3.960 -0.000 0.000 0.282 234 G HA3 0.616 4.576 3.960 -0.000 0.000 0.282 234 G C -0.382 174.470 174.900 -0.082 0.000 1.314 234 G CA 0.223 45.045 45.100 -0.463 0.000 0.915 234 G HN 1.921 nan 8.290 nan 0.000 0.499 235 G N -1.863 106.892 108.800 -0.074 0.000 2.684 235 G HA2 1.026 4.986 3.960 -0.000 0.000 0.290 235 G HA3 1.026 4.986 3.960 -0.000 0.000 0.290 235 G C -0.350 174.534 174.900 -0.027 0.000 1.425 235 G CA 0.304 45.426 45.100 0.037 0.000 0.822 235 G HN 2.063 nan 8.290 nan 0.000 0.482 236 G N -1.346 107.436 108.800 -0.029 0.000 2.673 236 G HA2 0.672 4.632 3.960 -0.000 0.000 0.292 236 G HA3 0.672 4.632 3.960 -0.000 0.000 0.292 236 G C -1.760 173.101 174.900 -0.065 0.000 1.450 236 G CA -0.638 44.420 45.100 -0.070 0.000 0.837 236 G HN 0.900 nan 8.290 nan 0.000 0.505 237 M N 0.801 120.353 119.600 -0.081 0.000 2.365 237 M HA 0.642 5.122 4.480 -0.000 0.000 0.287 237 M C -0.906 175.347 176.300 -0.079 0.000 1.154 237 M CA -0.744 54.512 55.300 -0.073 0.000 0.941 237 M CB 2.248 34.794 32.600 -0.089 0.000 1.704 237 M HN 1.150 nan 8.290 nan 0.000 0.479 238 V N 1.734 121.604 119.914 -0.073 0.000 2.864 238 V HA 0.905 5.025 4.120 -0.000 0.000 0.314 238 V C -1.088 174.962 176.094 -0.074 0.000 1.073 238 V CA -0.915 61.330 62.300 -0.091 0.000 0.956 238 V CB 1.834 33.577 31.823 -0.133 0.000 1.023 238 V HN 0.599 nan 8.190 nan 0.000 0.435 239 V N 3.792 123.648 119.914 -0.096 0.000 2.334 239 V HA 0.347 4.467 4.120 -0.000 0.000 0.267 239 V C 0.160 176.128 176.094 -0.210 0.000 1.040 239 V CA -0.336 61.829 62.300 -0.225 0.000 0.866 239 V CB 1.017 32.729 31.823 -0.186 0.000 1.019 239 V HN 0.731 nan 8.190 nan 0.000 0.468 240 V N 5.136 124.897 119.914 -0.255 0.000 2.406 240 V HA 0.462 4.582 4.120 -0.000 0.000 0.272 240 V C 0.078 176.044 176.094 -0.214 0.000 1.043 240 V CA -0.280 61.905 62.300 -0.192 0.000 0.915 240 V CB 1.339 33.059 31.823 -0.173 0.000 0.988 240 V HN 0.970 nan 8.190 nan 0.000 0.466 241 E N 2.824 122.935 120.200 -0.148 0.000 2.314 241 E HA 0.330 4.680 4.350 -0.000 0.000 0.272 241 E C -0.778 175.774 176.600 -0.080 0.000 0.884 241 E CA -0.719 55.599 56.400 -0.136 0.000 0.753 241 E CB 1.821 31.468 29.700 -0.089 0.000 1.213 241 E HN 0.704 nan 8.360 nan 0.000 0.432 242 E N 3.638 123.791 120.200 -0.079 0.000 2.392 242 E HA -0.031 4.319 4.350 -0.000 0.000 0.264 242 E C 0.691 177.304 176.600 0.021 0.000 1.024 242 E CA -0.097 56.286 56.400 -0.028 0.000 0.903 242 E CB 1.147 30.830 29.700 -0.029 0.000 0.963 242 E HN 0.614 nan 8.360 nan 0.000 0.432 243 L N 5.290 126.519 121.223 0.010 0.000 2.017 243 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 243 L C 1.869 178.752 176.870 0.023 0.000 1.073 243 L CA 1.867 56.712 54.840 0.009 0.000 0.745 243 L CB -0.389 41.669 42.059 -0.001 0.000 0.894 243 L HN 0.528 nan 8.230 nan 0.000 0.432 244 E N -1.030 119.188 120.200 0.031 0.000 2.110 244 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 244 E C 2.187 178.809 176.600 0.037 0.000 0.988 244 E CA 1.203 57.618 56.400 0.026 0.000 0.804 244 E CB -0.641 29.073 29.700 0.024 0.000 0.745 244 E HN 0.668 nan 8.360 nan 0.000 0.458 245 H N 0.629 119.685 119.070 -0.024 0.000 2.353 245 H HA -0.018 4.538 4.556 -0.000 0.000 0.300 245 H C 1.827 177.139 175.328 -0.026 0.000 1.090 245 H CA 1.665 57.699 56.048 -0.024 0.000 1.327 245 H CB 0.228 29.972 29.762 -0.030 0.000 1.383 245 H HN 0.122 nan 8.280 nan 0.000 0.508 246 A N 1.218 124.093 122.820 0.093 0.000 1.877 246 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 246 A C 2.868 180.436 177.584 -0.028 0.000 1.186 246 A CA 1.258 53.315 52.037 0.033 0.000 0.620 246 A CB -0.889 18.125 19.000 0.022 0.000 0.822 246 A HN 0.415 nan 8.150 nan 0.000 0.443 247 L N -0.821 120.385 121.223 -0.027 0.000 2.083 247 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 247 L C 3.030 179.868 176.870 -0.053 0.000 1.083 247 L CA 0.993 55.811 54.840 -0.036 0.000 0.752 247 L CB -0.493 41.550 42.059 -0.026 0.000 0.899 247 L HN 0.444 nan 8.230 nan 0.000 0.433 248 A N 0.883 123.655 122.820 -0.080 0.000 2.015 248 A HA -0.172 4.147 4.320 -0.000 0.000 0.219 248 A C 2.207 179.724 177.584 -0.111 0.000 1.163 248 A CA 1.399 53.377 52.037 -0.098 0.000 0.646 248 A CB -0.445 18.479 19.000 -0.127 0.000 0.806 248 A HN 0.567 nan 8.150 nan 0.000 0.448 249 R N -1.206 119.214 120.500 -0.133 0.000 2.359 249 R HA 0.352 4.692 4.340 -0.000 0.000 0.231 249 R C 0.913 177.184 176.300 -0.048 0.000 0.913 249 R CA 0.588 56.628 56.100 -0.099 0.000 1.075 249 R CB -0.615 29.611 30.300 -0.122 0.000 1.087 249 R HN 0.667 nan 8.270 nan 0.000 0.515 250 G N 0.847 109.622 108.800 -0.041 0.000 2.246 250 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.273 250 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.273 250 G C 0.310 175.207 174.900 -0.006 0.000 1.055 250 G CA 0.146 45.234 45.100 -0.021 0.000 0.851 250 G HN 0.717 nan 8.290 nan 0.000 0.500 251 A N 0.106 122.921 122.820 -0.009 0.000 2.466 251 A HA 0.492 4.812 4.320 -0.000 0.000 0.238 251 A C 0.689 178.282 177.584 0.015 0.000 1.074 251 A CA 0.258 52.301 52.037 0.011 0.000 0.774 251 A CB 0.192 19.194 19.000 0.002 0.000 1.015 251 A HN 1.012 nan 8.150 nan 0.000 0.498 252 H N 1.996 121.025 119.070 -0.069 0.000 2.668 252 H HA 0.404 4.960 4.556 -0.000 0.000 0.303 252 H C -0.998 174.241 175.328 -0.148 0.000 1.074 252 H CA -0.136 55.829 56.048 -0.137 0.000 1.406 252 H CB 0.284 29.930 29.762 -0.193 0.000 1.442 252 H HN 0.480 nan 8.280 nan 0.000 0.482 253 I N 6.795 126.997 120.570 -0.614 0.000 2.330 253 I HA -0.017 4.153 4.170 -0.000 0.000 0.289 253 I C 0.148 175.905 176.117 -0.601 0.000 1.001 253 I CA -0.571 60.468 61.300 -0.435 0.000 1.193 253 I CB 1.065 38.945 38.000 -0.200 0.000 1.345 253 I HN 0.684 nan 8.210 nan 0.000 0.461 254 Y N 5.155 125.205 120.300 -0.417 0.000 2.153 254 Y HA 0.171 4.721 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 1.021 58.970 58.100 -0.252 0.000 1.131 254 Y CB 0.130 38.525 38.460 -0.109 0.000 0.995 254 Y HN 0.649 nan 8.280 nan 0.000 0.505 255 A N -0.748 122.106 122.820 0.057 0.000 2.601 255 A HA 0.391 4.711 4.320 -0.000 0.000 0.291 255 A C -1.419 176.164 177.584 -0.002 0.000 1.075 255 A CA -0.828 51.221 52.037 0.019 0.000 0.671 255 A CB 0.830 19.851 19.000 0.036 0.000 1.277 255 A HN 0.098 nan 8.150 nan 0.000 0.417 256 E N 0.965 121.161 120.200 -0.007 0.000 2.266 256 E HA 0.450 4.799 4.350 -0.000 0.000 0.277 256 E C -0.755 175.842 176.600 -0.004 0.000 1.018 256 E CA -0.663 55.731 56.400 -0.009 0.000 0.840 256 E CB 0.575 30.271 29.700 -0.007 0.000 1.082 256 E HN 0.458 nan 8.360 nan 0.000 0.395 257 I N 6.809 127.373 120.570 -0.010 0.000 2.278 257 I HA -0.018 4.152 4.170 -0.000 0.000 0.296 257 I C 1.108 177.237 176.117 0.019 0.000 1.121 257 I CA 0.160 61.458 61.300 -0.002 0.000 1.267 257 I CB 0.288 38.274 38.000 -0.024 0.000 1.447 257 I HN 0.476 nan 8.210 nan 0.000 0.509 258 V N 3.236 123.167 119.914 0.028 0.000 3.650 258 V HA 0.534 4.654 4.120 -0.000 0.000 0.271 258 V C 0.756 176.883 176.094 0.055 0.000 1.281 258 V CA 0.288 62.609 62.300 0.034 0.000 1.120 258 V CB 0.098 31.936 31.823 0.024 0.000 0.856 258 V HN 0.677 nan 8.190 nan 0.000 0.443 259 G N -0.561 108.284 108.800 0.076 0.000 2.746 259 G HA2 0.539 4.498 3.960 -0.000 0.000 0.297 259 G HA3 0.539 4.498 3.960 -0.000 0.000 0.297 259 G C -2.319 172.688 174.900 0.177 0.000 1.426 259 G CA -0.583 44.581 45.100 0.107 0.000 0.989 259 G HN 0.309 nan 8.290 nan 0.000 0.520 260 Y N 1.301 121.617 120.300 0.026 0.000 2.315 260 Y HA 0.669 5.219 4.550 -0.000 0.000 0.324 260 Y C -0.072 175.851 175.900 0.039 0.000 1.062 260 Y CA -1.280 56.835 58.100 0.025 0.000 1.159 260 Y CB 1.617 40.093 38.460 0.026 0.000 1.145 260 Y HN 0.827 nan 8.280 nan 0.000 0.442 261 G N 3.141 111.857 108.800 -0.140 0.000 2.371 261 G HA2 0.732 4.692 3.960 -0.000 0.000 0.326 261 G HA3 0.732 4.692 3.960 -0.000 0.000 0.326 261 G C -1.543 173.153 174.900 -0.340 0.000 1.127 261 G CA -0.512 44.442 45.100 -0.243 0.000 0.885 261 G HN 1.143 nan 8.290 nan 0.000 0.477 262 A N 1.514 124.151 122.820 -0.305 0.000 2.442 262 A HA 0.855 5.175 4.320 -0.000 0.000 0.284 262 A C -0.044 177.530 177.584 -0.017 0.000 1.058 262 A CA -0.061 51.941 52.037 -0.058 0.000 0.738 262 A CB 1.332 20.296 19.000 -0.060 0.000 1.242 262 A HN 1.581 nan 8.150 nan 0.000 0.421 263 T N -1.466 113.122 114.554 0.055 0.000 2.778 263 T HA 0.864 5.214 4.350 -0.000 0.000 0.293 263 T C -0.364 174.358 174.700 0.037 0.000 1.144 263 T CA -0.412 61.696 62.100 0.012 0.000 1.010 263 T CB 1.688 70.543 68.868 -0.022 0.000 1.325 263 T HN 1.489 nan 8.240 nan 0.000 0.515 264 S N -1.015 114.687 115.700 0.004 0.000 2.541 264 S HA 0.474 4.944 4.470 -0.000 0.000 0.280 264 S C -0.303 174.289 174.600 -0.014 0.000 1.112 264 S CA -0.604 57.601 58.200 0.009 0.000 0.925 264 S CB 1.642 64.844 63.200 0.004 0.000 1.067 264 S HN 0.692 nan 8.310 nan 0.000 0.479 265 D N 2.661 123.054 120.400 -0.012 0.000 2.162 265 D HA 0.158 4.798 4.640 -0.000 0.000 0.203 265 D C 1.464 177.753 176.300 -0.018 0.000 0.967 265 D CA 1.436 55.420 54.000 -0.027 0.000 0.840 265 D CB -0.494 40.292 40.800 -0.025 0.000 0.972 265 D HN 1.051 nan 8.370 nan 0.000 0.482 266 G N 0.163 108.959 108.800 -0.007 0.000 2.323 266 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.292 266 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.292 266 G C 0.635 175.530 174.900 -0.009 0.000 1.040 266 G CA 0.903 45.998 45.100 -0.008 0.000 0.942 266 G HN 0.629 nan 8.290 nan 0.000 0.506 267 A N -1.057 121.759 122.820 -0.006 0.000 1.742 267 A HA 0.658 4.978 4.320 -0.000 0.000 0.167 267 A C 0.095 177.676 177.584 -0.005 0.000 1.913 267 A CA 0.928 52.960 52.037 -0.008 0.000 1.331 267 A CB 0.495 19.488 19.000 -0.012 0.000 0.968 267 A HN 0.321 nan 8.150 nan 0.000 0.739 268 D N -0.577 119.822 120.400 -0.002 0.000 2.350 268 D HA 0.524 5.164 4.640 -0.000 0.000 0.245 268 D C 0.852 177.147 176.300 -0.007 0.000 1.036 268 D CA -0.594 53.402 54.000 -0.006 0.000 0.848 268 D CB 1.234 42.032 40.800 -0.003 0.000 1.307 268 D HN 0.062 nan 8.370 nan 0.000 0.469 269 M N 1.148 120.729 119.600 -0.031 0.000 2.213 269 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 269 M C 1.419 177.653 176.300 -0.110 0.000 1.062 269 M CA 1.404 56.672 55.300 -0.053 0.000 1.105 269 M CB -0.324 32.228 32.600 -0.081 0.000 1.385 269 M HN 0.491 nan 8.290 nan 0.000 0.417 270 V N -4.805 115.018 119.914 -0.152 0.000 3.497 270 V HA 0.550 4.670 4.120 -0.000 0.000 0.272 270 V C 0.669 176.757 176.094 -0.010 0.000 1.474 270 V CA -0.012 62.090 62.300 -0.331 0.000 1.025 270 V CB -0.569 30.898 31.823 -0.593 0.000 0.820 270 V HN 0.135 nan 8.190 nan 0.000 0.437 271 A N 2.624 125.466 122.820 0.036 0.000 2.324 271 A HA 0.908 5.228 4.320 -0.000 0.000 0.330 271 A C -2.741 174.896 177.584 0.089 0.000 1.165 271 A CA -1.859 50.236 52.037 0.097 0.000 0.813 271 A CB 0.789 19.826 19.000 0.063 0.000 1.197 271 A HN 0.284 nan 8.150 nan 0.000 0.484 272 P HA 0.148 nan 4.420 nan 0.000 0.278 272 P C 0.643 177.940 177.300 -0.005 0.000 1.238 272 P CA -0.096 63.023 63.100 0.032 0.000 0.794 272 P CB 1.511 33.223 31.700 0.020 0.000 0.955 273 S N 1.094 116.767 115.700 -0.045 0.000 2.470 273 S HA 0.149 4.619 4.470 -0.000 0.000 0.225 273 S C 1.614 176.176 174.600 -0.063 0.000 1.006 273 S CA 0.954 59.127 58.200 -0.045 0.000 0.934 273 S CB -1.059 62.113 63.200 -0.047 0.000 0.778 273 S HN 0.742 nan 8.310 nan 0.000 0.517 274 G N 2.040 110.772 108.800 -0.115 0.000 3.329 274 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.220 274 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.220 274 G C 0.946 175.769 174.900 -0.128 0.000 1.358 274 G CA 0.558 45.588 45.100 -0.117 0.000 0.856 274 G HN 0.459 nan 8.290 nan 0.000 0.551 275 E N 1.973 122.118 120.200 -0.093 0.000 2.070 275 E HA -0.118 4.232 4.350 -0.000 0.000 0.197 275 E C 2.642 179.178 176.600 -0.106 0.000 1.004 275 E CA 2.536 58.886 56.400 -0.083 0.000 0.805 275 E CB -1.042 28.622 29.700 -0.060 0.000 0.744 275 E HN 0.704 nan 8.360 nan 0.000 0.451 276 G N 0.572 109.296 108.800 -0.126 0.000 2.422 276 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 276 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 276 G C 1.734 176.513 174.900 -0.202 0.000 1.146 276 G CA 1.325 46.344 45.100 -0.136 0.000 0.769 276 G HN 0.440 nan 8.290 nan 0.000 0.547 277 A N 0.182 122.791 122.820 -0.350 0.000 1.898 277 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 277 A C 2.595 180.059 177.584 -0.200 0.000 1.181 277 A CA 1.691 53.409 52.037 -0.532 0.000 0.620 277 A CB -0.589 17.858 19.000 -0.921 0.000 0.819 277 A HN 0.235 nan 8.150 nan 0.000 0.442 278 V N 0.064 119.891 119.914 -0.145 0.000 2.287 278 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 278 V C 2.647 178.695 176.094 -0.076 0.000 1.053 278 V CA 2.327 64.576 62.300 -0.085 0.000 1.027 278 V CB -0.803 30.975 31.823 -0.075 0.000 0.646 278 V HN 0.522 nan 8.190 nan 0.000 0.447 279 R N -1.154 119.297 120.500 -0.081 0.000 2.096 279 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 279 R C 2.403 178.670 176.300 -0.055 0.000 1.127 279 R CA 1.656 57.714 56.100 -0.070 0.000 0.968 279 R CB -0.781 29.477 30.300 -0.071 0.000 0.861 279 R HN 0.585 nan 8.270 nan 0.000 0.440 280 C N 0.634 119.911 119.300 -0.038 0.000 2.453 280 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 280 C C 2.590 177.602 174.990 0.036 0.000 1.262 280 C CA 0.770 59.795 59.018 0.012 0.000 1.718 280 C CB -0.646 27.146 27.740 0.088 0.000 2.031 280 C HN 0.454 nan 8.230 nan 0.000 0.480 281 M N 0.218 119.852 119.600 0.057 0.000 2.117 281 M HA -0.149 4.330 4.480 -0.000 0.000 0.262 281 M C 2.268 178.552 176.300 -0.026 0.000 1.065 281 M CA 1.830 57.158 55.300 0.047 0.000 1.114 281 M CB -0.468 32.169 32.600 0.061 0.000 1.361 281 M HN 0.367 nan 8.290 nan 0.000 0.408 282 K N 0.008 120.372 120.400 -0.060 0.000 2.097 282 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 282 K C 1.992 178.582 176.600 -0.016 0.000 1.049 282 K CA 1.345 57.593 56.287 -0.065 0.000 0.933 282 K CB -0.220 32.236 32.500 -0.073 0.000 0.717 282 K HN 0.352 nan 8.250 nan 0.000 0.442 283 M N 0.487 120.069 119.600 -0.030 0.000 2.117 283 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 283 M C 2.059 178.368 176.300 0.015 0.000 1.065 283 M CA 1.711 56.992 55.300 -0.032 0.000 1.114 283 M CB -0.065 32.489 32.600 -0.077 0.000 1.361 283 M HN 0.166 nan 8.290 nan 0.000 0.408 284 A N -0.118 122.712 122.820 0.017 0.000 2.066 284 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 284 A C 1.853 179.472 177.584 0.060 0.000 1.157 284 A CA 1.254 53.321 52.037 0.049 0.000 0.670 284 A CB -0.551 18.488 19.000 0.065 0.000 0.804 284 A HN 0.642 nan 8.150 nan 0.000 0.453 285 M N -1.462 118.165 119.600 0.046 0.000 2.502 285 M HA 0.094 4.574 4.480 -0.000 0.000 0.243 285 M C 0.520 176.846 176.300 0.043 0.000 1.130 285 M CA -0.069 55.250 55.300 0.033 0.000 1.055 285 M CB 0.037 32.625 32.600 -0.019 0.000 1.457 285 M HN 0.489 nan 8.290 nan 0.000 0.488 286 H N 0.312 119.369 119.070 -0.023 0.000 3.004 286 H HA 0.237 4.793 4.556 -0.000 0.000 0.316 286 H C 1.181 176.505 175.328 -0.008 0.000 1.014 286 H CA 1.576 57.611 56.048 -0.022 0.000 1.454 286 H CB 0.326 30.072 29.762 -0.026 0.000 1.472 286 H HN 0.447 nan 8.280 nan 0.000 0.571 287 G N 3.210 111.737 108.800 -0.455 0.000 2.212 287 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.266 287 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.266 287 G C 0.012 174.843 174.900 -0.115 0.000 0.978 287 G CA 0.318 45.250 45.100 -0.281 0.000 0.632 287 G HN 0.668 nan 8.290 nan 0.000 0.537 288 V N 2.608 122.480 119.914 -0.069 0.000 2.427 288 V HA 0.376 4.496 4.120 -0.000 0.000 0.268 288 V C 1.000 177.080 176.094 -0.023 0.000 1.046 288 V CA 0.460 62.746 62.300 -0.023 0.000 0.970 288 V CB 1.406 33.234 31.823 0.010 0.000 1.001 288 V HN 0.487 nan 8.190 nan 0.000 0.476 289 D N 2.385 122.774 120.400 -0.019 0.000 2.358 289 D HA 0.038 4.677 4.640 -0.000 0.000 0.224 289 D C 0.577 176.877 176.300 0.000 0.000 1.123 289 D CA -0.045 53.945 54.000 -0.017 0.000 0.833 289 D CB 0.121 40.907 40.800 -0.023 0.000 0.946 289 D HN 0.582 nan 8.370 nan 0.000 0.505 290 T N -2.734 111.828 114.554 0.013 0.000 2.907 290 T HA 0.624 4.974 4.350 -0.000 0.000 0.292 290 T C -2.871 171.855 174.700 0.044 0.000 1.043 290 T CA -1.730 60.384 62.100 0.024 0.000 1.003 290 T CB 2.318 71.199 68.868 0.022 0.000 1.084 290 T HN -0.184 nan 8.240 nan 0.000 0.483 291 P HA 0.369 nan 4.420 nan 0.000 0.276 291 P C -0.479 176.869 177.300 0.081 0.000 1.244 291 P CA -0.727 62.422 63.100 0.081 0.000 0.801 291 P CB 0.525 32.263 31.700 0.063 0.000 1.006 292 I N 2.677 123.318 120.570 0.118 0.000 2.452 292 I HA 0.015 4.185 4.170 -0.000 0.000 0.287 292 I C 1.272 177.382 176.117 -0.010 0.000 1.079 292 I CA 0.385 61.723 61.300 0.063 0.000 1.387 292 I CB -0.062 37.991 38.000 0.090 0.000 1.404 292 I HN 0.314 nan 8.210 nan 0.000 0.522 293 D N 5.103 125.514 120.400 0.017 0.000 2.271 293 D HA -0.059 4.581 4.640 -0.000 0.000 0.206 293 D C -0.047 176.296 176.300 0.071 0.000 0.967 293 D CA 1.166 55.183 54.000 0.028 0.000 0.867 293 D CB 0.473 41.301 40.800 0.046 0.000 0.960 293 D HN 0.526 nan 8.370 nan 0.000 0.509 294 Y N 0.327 120.579 120.300 -0.080 0.000 2.482 294 Y HA 0.431 4.981 4.550 -0.000 0.000 0.334 294 Y C -2.154 173.698 175.900 -0.080 0.000 1.091 294 Y CA -1.091 56.955 58.100 -0.090 0.000 1.027 294 Y CB 1.167 39.574 38.460 -0.089 0.000 1.306 294 Y HN -0.231 nan 8.280 nan 0.000 0.446 295 L N 7.244 127.858 121.223 -1.016 0.000 2.349 295 L HA 0.511 4.851 4.340 -0.000 0.000 0.278 295 L C -1.159 175.102 176.870 -1.014 0.000 0.996 295 L CA -0.536 53.840 54.840 -0.774 0.000 0.825 295 L CB 1.016 42.831 42.059 -0.407 0.000 1.243 295 L HN 0.820 nan 8.230 nan 0.000 0.412 296 N N 3.590 121.860 118.700 -0.717 0.000 2.437 296 N HA 0.140 4.880 4.740 -0.000 0.000 0.243 296 N C -0.415 174.994 175.510 -0.168 0.000 1.041 296 N CA -0.227 52.640 53.050 -0.305 0.000 0.940 296 N CB 1.037 39.508 38.487 -0.027 0.000 1.133 296 N HN 0.734 nan 8.380 nan 0.000 0.506 297 S N 2.604 118.248 115.700 -0.092 0.000 2.614 297 S HA 0.020 4.490 4.470 -0.000 0.000 0.265 297 S C 1.321 175.877 174.600 -0.073 0.000 1.303 297 S CA -0.299 57.880 58.200 -0.035 0.000 1.000 297 S CB 1.266 64.534 63.200 0.113 0.000 0.935 297 S HN 0.753 nan 8.310 nan 0.000 0.551 298 H N 1.940 120.887 119.070 -0.206 0.000 2.321 298 H HA 0.117 4.673 4.556 -0.000 0.000 0.300 298 H C 1.522 176.728 175.328 -0.204 0.000 1.087 298 H CA 1.565 57.453 56.048 -0.267 0.000 1.319 298 H CB -1.090 28.474 29.762 -0.329 0.000 1.379 298 H HN 1.113 nan 8.280 nan 0.000 0.501 299 G N 0.673 109.359 108.800 -0.189 0.000 2.101 299 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.247 299 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.247 299 G C 0.955 175.603 174.900 -0.420 0.000 0.740 299 G CA 0.975 45.900 45.100 -0.292 0.000 1.130 299 G HN 0.827 nan 8.290 nan 0.000 0.342 300 T N -1.957 112.343 114.554 -0.422 0.000 3.100 300 T HA 0.418 4.768 4.350 -0.000 0.000 0.253 300 T C 1.322 175.954 174.700 -0.113 0.000 1.118 300 T CA 1.056 62.935 62.100 -0.367 0.000 1.058 300 T CB 0.337 68.960 68.868 -0.408 0.000 0.953 300 T HN 1.761 nan 8.240 nan 0.000 0.515 301 S N 0.723 116.346 115.700 -0.127 0.000 3.619 301 S HA -0.125 4.345 4.470 -0.000 0.000 0.287 301 S C 0.213 174.845 174.600 0.052 0.000 1.222 301 S CA 0.573 58.741 58.200 -0.054 0.000 0.821 301 S CB -2.127 61.059 63.200 -0.022 0.000 0.985 301 S HN 1.255 nan 8.310 nan 0.000 0.611 302 T N -0.961 113.638 114.554 0.075 0.000 2.867 302 T HA 0.674 5.023 4.350 -0.000 0.000 0.282 302 T C -1.385 173.379 174.700 0.107 0.000 1.000 302 T CA -1.660 60.523 62.100 0.138 0.000 1.042 302 T CB 1.686 70.683 68.868 0.215 0.000 0.973 302 T HN -0.070 nan 8.240 nan 0.000 0.465 303 P HA -0.142 nan 4.420 nan 0.000 0.214 303 P C 1.663 179.022 177.300 0.098 0.000 1.169 303 P CA 0.757 63.911 63.100 0.091 0.000 0.908 303 P CB -0.017 31.734 31.700 0.085 0.000 0.791 304 V N -0.609 119.372 119.914 0.111 0.000 2.346 304 V HA -0.075 4.045 4.120 -0.000 0.000 0.244 304 V C 2.583 178.755 176.094 0.130 0.000 1.037 304 V CA 2.371 64.737 62.300 0.109 0.000 1.029 304 V CB -1.869 30.017 31.823 0.105 0.000 0.663 304 V HN 0.171 nan 8.190 nan 0.000 0.454 305 G N -0.136 108.761 108.800 0.162 0.000 2.418 305 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 305 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 305 G C 1.200 176.216 174.900 0.193 0.000 1.158 305 G CA 1.110 46.329 45.100 0.198 0.000 0.771 305 G HN 0.490 nan 8.290 nan 0.000 0.545 306 D N 0.143 120.632 120.400 0.149 0.000 2.117 306 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 306 D C 2.904 179.358 176.300 0.257 0.000 0.987 306 D CA 1.673 55.769 54.000 0.160 0.000 0.829 306 D CB -0.438 40.397 40.800 0.059 0.000 0.961 306 D HN 0.371 nan 8.370 nan 0.000 0.460 307 V N -1.174 118.855 119.914 0.191 0.000 2.788 307 V HA 0.025 4.145 4.120 -0.000 0.000 0.251 307 V C 2.131 178.301 176.094 0.126 0.000 1.068 307 V CA 0.906 63.301 62.300 0.159 0.000 1.090 307 V CB -0.390 31.503 31.823 0.117 0.000 0.710 307 V HN -0.104 nan 8.190 nan 0.000 0.467 308 K N 1.544 122.017 120.400 0.122 0.000 2.057 308 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 308 K C 2.230 178.889 176.600 0.098 0.000 1.049 308 K CA 2.206 58.546 56.287 0.090 0.000 0.931 308 K CB -0.479 32.068 32.500 0.078 0.000 0.714 308 K HN 0.712 nan 8.250 nan 0.000 0.440 309 E N -0.067 120.235 120.200 0.171 0.000 2.072 309 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 309 E C 1.882 178.595 176.600 0.187 0.000 0.985 309 E CA 1.059 57.595 56.400 0.226 0.000 0.801 309 E CB -0.064 29.862 29.700 0.377 0.000 0.750 309 E HN 0.319 nan 8.360 nan 0.000 0.452 310 L N 0.366 121.691 121.223 0.169 0.000 2.083 310 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 310 L C 2.670 179.586 176.870 0.076 0.000 1.083 310 L CA 0.935 55.835 54.840 0.100 0.000 0.752 310 L CB -0.488 41.599 42.059 0.046 0.000 0.899 310 L HN 0.224 nan 8.230 nan 0.000 0.433 311 A N 0.134 122.997 122.820 0.071 0.000 1.930 311 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 311 A C 2.547 180.160 177.584 0.049 0.000 1.175 311 A CA 1.609 53.675 52.037 0.049 0.000 0.627 311 A CB -0.549 18.474 19.000 0.038 0.000 0.815 311 A HN 0.392 nan 8.150 nan 0.000 0.443 312 A N 0.005 122.857 122.820 0.052 0.000 1.898 312 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 312 A C 2.100 179.738 177.584 0.091 0.000 1.181 312 A CA 1.472 53.531 52.037 0.038 0.000 0.620 312 A CB -0.598 18.402 19.000 0.000 0.000 0.819 312 A HN 0.482 nan 8.150 nan 0.000 0.442 313 I N -0.738 119.926 120.570 0.156 0.000 2.208 313 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 313 I C 2.766 179.045 176.117 0.271 0.000 1.097 313 I CA 1.439 62.902 61.300 0.272 0.000 1.363 313 I CB -0.307 37.819 38.000 0.211 0.000 1.051 313 I HN 0.295 nan 8.210 nan 0.000 0.413 314 R N 0.302 120.888 120.500 0.143 0.000 2.096 314 R HA -0.218 4.122 4.340 -0.000 0.000 0.235 314 R C 2.221 178.576 176.300 0.093 0.000 1.127 314 R CA 1.592 57.760 56.100 0.113 0.000 0.968 314 R CB -0.348 29.987 30.300 0.059 0.000 0.861 314 R HN 0.449 nan 8.270 nan 0.000 0.440 315 E N 0.585 120.819 120.200 0.057 0.000 2.072 315 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 315 E C 1.868 178.454 176.600 -0.023 0.000 0.985 315 E CA 1.115 57.523 56.400 0.014 0.000 0.801 315 E CB 0.199 29.897 29.700 -0.003 0.000 0.750 315 E HN 0.077 nan 8.360 nan 0.000 0.452 316 V N 0.117 119.997 119.914 -0.056 0.000 2.307 316 V HA -0.204 3.915 4.120 -0.000 0.000 0.245 316 V C 1.727 177.615 176.094 -0.344 0.000 1.045 316 V CA 1.678 63.822 62.300 -0.259 0.000 1.024 316 V CB -0.424 31.141 31.823 -0.429 0.000 0.651 316 V HN 0.300 nan 8.190 nan 0.000 0.449 317 F N -0.322 119.630 119.950 0.003 0.000 2.746 317 F HA 0.479 5.006 4.527 -0.000 0.000 0.297 317 F C 1.791 177.591 175.800 -0.001 0.000 1.113 317 F CA 0.563 58.564 58.000 0.001 0.000 1.367 317 F CB -0.358 38.639 39.000 -0.003 0.000 1.111 317 F HN 0.268 nan 8.300 nan 0.000 0.590 318 G N 1.700 110.578 108.800 0.130 0.000 2.622 318 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.307 318 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.307 318 G C 0.467 175.418 174.900 0.084 0.000 1.226 318 G CA 0.723 45.868 45.100 0.077 0.000 0.997 318 G HN 0.408 nan 8.290 nan 0.000 0.551 319 D N 0.205 120.643 120.400 0.064 0.000 2.336 319 D HA 0.377 5.016 4.640 -0.000 0.000 0.228 319 D C 0.745 177.075 176.300 0.051 0.000 1.120 319 D CA 0.618 54.646 54.000 0.048 0.000 0.839 319 D CB 0.211 41.029 40.800 0.031 0.000 0.932 319 D HN 0.409 nan 8.370 nan 0.000 0.509 320 K N 0.056 120.506 120.400 0.084 0.000 3.146 320 K HA 0.321 4.641 4.320 -0.000 0.000 0.168 320 K C -0.168 176.470 176.600 0.063 0.000 1.075 320 K CA -0.566 55.763 56.287 0.070 0.000 0.843 320 K CB 0.102 32.650 32.500 0.081 0.000 1.002 320 K HN 0.387 nan 8.250 nan 0.000 0.597 321 S N 1.445 117.139 115.700 -0.010 0.000 2.576 321 S HA 0.476 4.946 4.470 -0.000 0.000 0.276 321 S C -1.537 172.881 174.600 -0.303 0.000 1.339 321 S CA -0.899 57.174 58.200 -0.211 0.000 1.039 321 S CB 0.301 63.419 63.200 -0.136 0.000 0.902 321 S HN 0.386 nan 8.310 nan 0.000 0.516 322 P HA 0.371 nan 4.420 nan 0.000 0.276 322 P C -0.457 176.708 177.300 -0.225 0.000 1.261 322 P CA -0.602 62.282 63.100 -0.360 0.000 0.800 322 P CB 0.444 31.839 31.700 -0.509 0.000 1.066 323 A N 1.372 124.127 122.820 -0.108 0.000 2.531 323 A HA 0.334 4.653 4.320 -0.000 0.000 0.236 323 A C 0.266 177.819 177.584 -0.052 0.000 1.062 323 A CA 0.254 52.278 52.037 -0.022 0.000 0.760 323 A CB -0.798 18.255 19.000 0.087 0.000 0.995 323 A HN 0.480 nan 8.150 nan 0.000 0.501 324 I N 1.409 121.962 120.570 -0.028 0.000 2.582 324 I HA 0.494 4.664 4.170 -0.000 0.000 0.292 324 I C 0.074 176.253 176.117 0.103 0.000 1.066 324 I CA -0.151 61.102 61.300 -0.079 0.000 1.053 324 I CB 2.576 40.498 38.000 -0.130 0.000 1.241 324 I HN 0.793 nan 8.210 nan 0.000 0.421 325 S N 3.718 119.529 115.700 0.185 0.000 2.564 325 S HA 0.869 5.339 4.470 -0.000 0.000 0.274 325 S C -0.938 173.778 174.600 0.195 0.000 1.124 325 S CA -0.848 57.495 58.200 0.238 0.000 0.869 325 S CB 2.066 65.417 63.200 0.252 0.000 1.105 325 S HN 0.748 nan 8.310 nan 0.000 0.472 326 A N 1.773 124.697 122.820 0.174 0.000 2.322 326 A HA 0.574 4.894 4.320 -0.000 0.000 0.327 326 A C 1.125 178.710 177.584 0.002 0.000 1.394 326 A CA -0.233 51.829 52.037 0.043 0.000 0.921 326 A CB -0.363 18.574 19.000 -0.104 0.000 1.153 326 A HN 1.251 nan 8.150 nan 0.000 0.523 327 T N -0.167 114.398 114.554 0.019 0.000 3.051 327 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 327 T C 1.327 175.992 174.700 -0.058 0.000 1.127 327 T CA 1.189 63.275 62.100 -0.024 0.000 1.107 327 T CB -0.303 68.556 68.868 -0.016 0.000 0.898 327 T HN 0.624 nan 8.240 nan 0.000 0.517 328 K N 1.149 121.502 120.400 -0.077 0.000 2.280 328 K HA 0.167 4.487 4.320 -0.000 0.000 0.202 328 K C 2.617 179.171 176.600 -0.078 0.000 1.047 328 K CA 0.863 57.093 56.287 -0.096 0.000 0.942 328 K CB -0.342 32.042 32.500 -0.193 0.000 0.739 328 K HN 0.487 nan 8.250 nan 0.000 0.457 329 A N 1.010 123.779 122.820 -0.085 0.000 2.019 329 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 329 A C 2.016 179.569 177.584 -0.051 0.000 1.164 329 A CA 1.380 53.376 52.037 -0.070 0.000 0.644 329 A CB -0.283 18.677 19.000 -0.067 0.000 0.805 329 A HN 0.199 nan 8.150 nan 0.000 0.449 330 M N -1.135 118.429 119.600 -0.060 0.000 2.325 330 M HA -0.049 4.431 4.480 -0.000 0.000 0.265 330 M C 2.249 178.518 176.300 -0.051 0.000 1.094 330 M CA 1.722 56.984 55.300 -0.063 0.000 1.161 330 M CB -0.046 32.491 32.600 -0.104 0.000 1.358 330 M HN 0.607 nan 8.290 nan 0.000 0.446 331 T N -2.708 111.815 114.554 -0.052 0.000 3.037 331 T HA 0.439 4.789 4.350 -0.000 0.000 0.251 331 T C 1.063 175.775 174.700 0.021 0.000 1.079 331 T CA 0.344 62.431 62.100 -0.021 0.000 1.067 331 T CB -0.016 68.857 68.868 0.008 0.000 0.948 331 T HN 0.534 nan 8.240 nan 0.000 0.496 332 G N 1.308 110.124 108.800 0.028 0.000 2.782 332 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.228 332 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.228 332 G C -0.827 174.119 174.900 0.075 0.000 1.372 332 G CA -0.246 44.901 45.100 0.079 0.000 0.862 332 G HN 0.856 nan 8.290 nan 0.000 0.547 333 H N 0.535 119.583 119.070 -0.036 0.000 2.623 333 H HA 0.622 5.178 4.556 -0.000 0.000 0.299 333 H C 1.374 176.601 175.328 -0.168 0.000 1.052 333 H CA -0.154 55.775 56.048 -0.200 0.000 1.231 333 H CB 0.735 30.188 29.762 -0.514 0.000 1.389 333 H HN 0.867 nan 8.280 nan 0.000 0.469 334 S N 4.902 120.685 115.700 0.139 0.000 2.614 334 S HA 0.197 4.667 4.470 -0.000 0.000 0.230 334 S C 1.142 175.703 174.600 -0.066 0.000 0.952 334 S CA -0.101 58.095 58.200 -0.007 0.000 0.949 334 S CB -0.524 62.672 63.200 -0.007 0.000 0.786 334 S HN 0.719 nan 8.310 nan 0.000 0.478 335 L N -0.271 120.840 121.223 -0.187 0.000 5.323 335 L HA -0.330 4.010 4.340 -0.000 0.000 0.053 335 L C 2.201 179.038 176.870 -0.055 0.000 3.097 335 L CA 1.361 56.012 54.840 -0.315 0.000 1.447 335 L CB -2.019 39.838 42.059 -0.337 0.000 2.992 335 L HN 0.435 nan 8.230 nan 0.000 0.968 336 G N -1.031 107.755 108.800 -0.024 0.000 2.448 336 G HA2 0.027 3.987 3.960 -0.000 0.000 0.219 336 G HA3 0.027 3.987 3.960 -0.000 0.000 0.219 336 G C 1.241 176.150 174.900 0.015 0.000 1.127 336 G CA 1.315 46.428 45.100 0.022 0.000 0.766 336 G HN 0.863 nan 8.290 nan 0.000 0.552 337 A N 0.320 123.142 122.820 0.003 0.000 2.218 337 A HA 0.638 4.958 4.320 -0.000 0.000 0.209 337 A C 2.537 180.093 177.584 -0.047 0.000 1.168 337 A CA 1.293 53.321 52.037 -0.016 0.000 0.804 337 A CB -0.204 18.789 19.000 -0.012 0.000 0.834 337 A HN 0.516 nan 8.150 nan 0.000 0.482 338 A N 0.022 122.830 122.820 -0.020 0.000 1.898 338 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 338 A C 2.324 179.846 177.584 -0.104 0.000 1.181 338 A CA 1.788 53.800 52.037 -0.042 0.000 0.620 338 A CB -1.231 17.777 19.000 0.013 0.000 0.819 338 A HN 0.643 nan 8.150 nan 0.000 0.442 339 G N -0.854 107.895 108.800 -0.085 0.000 2.421 339 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.216 339 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.216 339 G C 1.646 176.457 174.900 -0.149 0.000 1.171 339 G CA 1.299 46.329 45.100 -0.116 0.000 0.775 339 G HN 0.546 nan 8.290 nan 0.000 0.543 340 V N 0.093 119.922 119.914 -0.142 0.000 2.379 340 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 340 V C 2.732 178.670 176.094 -0.260 0.000 1.044 340 V CA 2.431 64.630 62.300 -0.168 0.000 1.036 340 V CB -0.237 31.511 31.823 -0.125 0.000 0.664 340 V HN 0.500 nan 8.190 nan 0.000 0.453 341 Q N -0.412 119.206 119.800 -0.304 0.000 2.084 341 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 341 Q C 2.163 177.587 176.000 -0.961 0.000 0.978 341 Q CA 2.179 57.643 55.803 -0.565 0.000 0.844 341 Q CB -0.130 28.342 28.738 -0.444 0.000 0.898 341 Q HN 0.723 nan 8.270 nan 0.000 0.426 342 E N 0.403 120.263 120.200 -0.566 0.000 2.152 342 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 342 E C 1.949 178.413 176.600 -0.227 0.000 0.983 342 E CA 0.681 56.868 56.400 -0.355 0.000 0.818 342 E CB -0.062 29.562 29.700 -0.126 0.000 0.758 342 E HN 0.332 nan 8.360 nan 0.000 0.467 343 A N 1.268 123.955 122.820 -0.221 0.000 1.908 343 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 343 A C 2.166 179.647 177.584 -0.171 0.000 1.181 343 A CA 1.177 53.119 52.037 -0.158 0.000 0.627 343 A CB -0.595 18.313 19.000 -0.153 0.000 0.818 343 A HN 0.152 nan 8.150 nan 0.000 0.445 344 I N -1.598 118.811 120.570 -0.267 0.000 2.226 344 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 344 I C 2.350 178.414 176.117 -0.088 0.000 1.100 344 I CA 1.251 62.413 61.300 -0.230 0.000 1.374 344 I CB -0.449 37.390 38.000 -0.269 0.000 1.057 344 I HN 0.382 nan 8.210 nan 0.000 0.413 345 Y N 0.830 121.108 120.300 -0.037 0.000 2.165 345 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 345 Y C 2.946 178.824 175.900 -0.036 0.000 1.155 345 Y CA 0.876 58.966 58.100 -0.018 0.000 1.164 345 Y CB -1.420 37.035 38.460 -0.008 0.000 0.978 345 Y HN 0.114 nan 8.280 nan 0.000 0.513 346 S N 0.112 115.886 115.700 0.124 0.000 2.368 346 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 346 S C 2.174 176.793 174.600 0.031 0.000 1.030 346 S CA 1.173 59.434 58.200 0.103 0.000 0.999 346 S CB -0.640 62.629 63.200 0.116 0.000 0.844 346 S HN 0.356 nan 8.310 nan 0.000 0.459 347 L N 0.928 122.153 121.223 0.003 0.000 2.093 347 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 347 L C 2.174 179.096 176.870 0.085 0.000 1.085 347 L CA 0.895 55.736 54.840 0.001 0.000 0.755 347 L CB -0.519 41.457 42.059 -0.137 0.000 0.904 347 L HN 0.284 nan 8.230 nan 0.000 0.435 348 L N -1.155 120.137 121.223 0.115 0.000 2.093 348 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 348 L C 2.627 179.648 176.870 0.252 0.000 1.085 348 L CA 1.199 56.217 54.840 0.297 0.000 0.755 348 L CB -0.340 41.903 42.059 0.307 0.000 0.904 348 L HN 0.297 nan 8.230 nan 0.000 0.435 349 M N -0.829 118.705 119.600 -0.111 0.000 2.117 349 M HA -0.236 4.244 4.480 -0.000 0.000 0.262 349 M C 2.303 178.483 176.300 -0.200 0.000 1.065 349 M CA 1.620 56.590 55.300 -0.550 0.000 1.114 349 M CB -0.327 31.794 32.600 -0.799 0.000 1.361 349 M HN 0.213 nan 8.290 nan 0.000 0.408 350 L N 0.569 121.754 121.223 -0.064 0.000 2.056 350 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 350 L C 2.244 179.135 176.870 0.034 0.000 1.078 350 L CA 2.021 56.860 54.840 -0.001 0.000 0.749 350 L CB -0.600 41.478 42.059 0.033 0.000 0.901 350 L HN 0.222 nan 8.230 nan 0.000 0.433 351 E N -1.367 118.880 120.200 0.078 0.000 2.106 351 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 351 E C 1.818 178.308 176.600 -0.184 0.000 0.984 351 E CA 1.530 57.917 56.400 -0.022 0.000 0.806 351 E CB -0.097 29.642 29.700 0.065 0.000 0.750 351 E HN 0.636 nan 8.360 nan 0.000 0.458 352 H N -1.521 117.664 119.070 0.191 0.000 2.586 352 H HA 0.285 4.841 4.556 -0.000 0.000 0.273 352 H C 0.581 176.056 175.328 0.245 0.000 0.997 352 H CA 0.572 56.755 56.048 0.226 0.000 1.177 352 H CB 0.858 30.804 29.762 0.308 0.000 1.471 352 H HN 0.273 nan 8.280 nan 0.000 0.538 353 G N 1.974 110.915 108.800 0.235 0.000 2.324 353 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.292 353 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.292 353 G C -0.296 174.740 174.900 0.226 0.000 1.079 353 G CA 0.564 45.752 45.100 0.147 0.000 1.026 353 G HN 0.459 nan 8.290 nan 0.000 0.506 354 F N -1.777 118.159 119.950 -0.022 0.000 2.686 354 F HA 0.836 5.363 4.527 -0.000 0.000 0.311 354 F C -0.834 174.869 175.800 -0.162 0.000 1.128 354 F CA -2.739 55.222 58.000 -0.065 0.000 0.946 354 F CB 1.104 40.077 39.000 -0.045 0.000 1.336 354 F HN 0.063 nan 8.300 nan 0.000 0.457 355 I N 2.698 123.095 120.570 -0.288 0.000 2.378 355 I HA 0.634 4.804 4.170 -0.000 0.000 0.291 355 I C 0.177 176.175 176.117 -0.199 0.000 0.992 355 I CA -1.059 59.933 61.300 -0.514 0.000 1.154 355 I CB 1.620 39.435 38.000 -0.309 0.000 1.315 355 I HN 0.971 nan 8.210 nan 0.000 0.448 356 A N 9.044 131.681 122.820 -0.304 0.000 2.407 356 A HA 0.530 4.850 4.320 -0.000 0.000 0.248 356 A C -2.370 175.223 177.584 0.016 0.000 1.082 356 A CA -1.086 50.968 52.037 0.028 0.000 0.785 356 A CB -0.291 18.708 19.000 -0.000 0.000 1.020 356 A HN 0.422 nan 8.150 nan 0.000 0.489 357 P HA 0.153 nan 4.420 nan 0.000 0.278 357 P C -0.371 176.957 177.300 0.047 0.000 1.238 357 P CA -0.274 62.852 63.100 0.044 0.000 0.794 357 P CB 1.153 32.872 31.700 0.032 0.000 0.955 358 S N 2.227 117.970 115.700 0.071 0.000 2.411 358 S HA 0.344 4.814 4.470 -0.000 0.000 0.304 358 S C 0.616 175.250 174.600 0.056 0.000 1.098 358 S CA -0.699 57.551 58.200 0.085 0.000 1.068 358 S CB -1.396 61.902 63.200 0.163 0.000 1.032 358 S HN 0.315 nan 8.310 nan 0.000 0.511 359 I N 1.969 122.551 120.570 0.020 0.000 2.970 359 I HA 0.535 4.705 4.170 -0.000 0.000 0.310 359 I C 0.358 176.473 176.117 -0.004 0.000 1.010 359 I CA -0.644 60.660 61.300 0.005 0.000 1.228 359 I CB 0.469 38.462 38.000 -0.012 0.000 1.433 359 I HN 0.483 nan 8.210 nan 0.000 0.573 360 N N 1.366 120.060 118.700 -0.010 0.000 2.829 360 N HA -0.162 4.578 4.740 -0.000 0.000 0.250 360 N C -0.609 174.897 175.510 -0.007 0.000 1.090 360 N CA 0.890 53.923 53.050 -0.028 0.000 0.781 360 N CB -1.560 36.883 38.487 -0.072 0.000 1.124 360 N HN 0.642 nan 8.380 nan 0.000 0.559 361 I N 1.249 121.835 120.570 0.026 0.000 2.278 361 I HA 0.054 4.224 4.170 -0.000 0.000 0.296 361 I C 1.483 177.629 176.117 0.049 0.000 1.121 361 I CA -0.004 61.328 61.300 0.052 0.000 1.267 361 I CB 0.421 38.470 38.000 0.082 0.000 1.447 361 I HN 0.035 nan 8.210 nan 0.000 0.509 362 E N 3.986 124.221 120.200 0.058 0.000 2.190 362 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 362 E C 0.513 177.161 176.600 0.080 0.000 0.978 362 E CA 0.552 56.990 56.400 0.064 0.000 0.839 362 E CB 0.525 30.267 29.700 0.070 0.000 0.787 362 E HN 0.562 nan 8.360 nan 0.000 0.473 363 E N 1.069 121.328 120.200 0.099 0.000 2.317 363 E HA 0.158 4.508 4.350 -0.000 0.000 0.270 363 E C -1.497 175.143 176.600 0.067 0.000 0.899 363 E CA -0.569 55.884 56.400 0.088 0.000 0.814 363 E CB 1.190 30.967 29.700 0.129 0.000 1.296 363 E HN -0.079 nan 8.360 nan 0.000 0.404 364 L N 4.170 125.425 121.223 0.053 0.000 2.453 364 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 364 L C 0.240 177.133 176.870 0.038 0.000 1.182 364 L CA 0.403 55.274 54.840 0.052 0.000 0.858 364 L CB 0.779 42.857 42.059 0.031 0.000 1.120 364 L HN 0.602 nan 8.230 nan 0.000 0.474 365 D N 3.305 123.737 120.400 0.054 0.000 2.472 365 D HA -0.107 4.533 4.640 -0.000 0.000 0.237 365 D C 0.976 177.289 176.300 0.021 0.000 1.141 365 D CA 0.589 54.611 54.000 0.036 0.000 0.875 365 D CB 0.906 41.753 40.800 0.078 0.000 1.192 365 D HN 0.835 nan 8.370 nan 0.000 0.450 366 E N 2.395 122.603 120.200 0.012 0.000 2.160 366 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 366 E C 1.052 177.657 176.600 0.009 0.000 0.991 366 E CA 1.168 57.574 56.400 0.009 0.000 0.810 366 E CB -0.078 29.627 29.700 0.008 0.000 0.742 366 E HN 0.565 nan 8.360 nan 0.000 0.466 367 Q N -0.285 119.526 119.800 0.018 0.000 2.482 367 Q HA 0.112 4.452 4.340 -0.000 0.000 0.209 367 Q C 1.399 177.398 176.000 -0.001 0.000 0.961 367 Q CA 0.612 56.425 55.803 0.018 0.000 0.945 367 Q CB 0.423 29.183 28.738 0.037 0.000 1.012 367 Q HN 0.439 nan 8.270 nan 0.000 0.515 368 A N 0.368 123.176 122.820 -0.020 0.000 2.348 368 A HA 0.437 4.756 4.320 -0.000 0.000 0.224 368 A C 0.839 178.376 177.584 -0.078 0.000 1.227 368 A CA -0.086 51.898 52.037 -0.090 0.000 0.885 368 A CB 0.230 19.137 19.000 -0.156 0.000 0.933 368 A HN 0.252 nan 8.150 nan 0.000 0.506 369 A N -0.847 121.950 122.820 -0.038 0.000 2.498 369 A HA 0.443 4.763 4.320 -0.000 0.000 0.239 369 A C 1.628 179.191 177.584 -0.034 0.000 1.068 369 A CA 0.698 52.717 52.037 -0.030 0.000 0.766 369 A CB -0.500 18.492 19.000 -0.013 0.000 1.003 369 A HN 1.926 nan 8.150 nan 0.000 0.497 370 G N 0.594 109.374 108.800 -0.032 0.000 2.176 370 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.253 370 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.253 370 G C 0.059 174.934 174.900 -0.043 0.000 0.979 370 G CA 0.457 45.540 45.100 -0.029 0.000 0.641 370 G HN 0.800 nan 8.290 nan 0.000 0.530 371 L N 0.223 121.406 121.223 -0.067 0.000 2.344 371 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 371 L C 0.499 177.317 176.870 -0.088 0.000 1.035 371 L CA -1.086 53.701 54.840 -0.090 0.000 0.807 371 L CB 1.338 43.316 42.059 -0.135 0.000 1.237 371 L HN 0.079 nan 8.230 nan 0.000 0.442 372 N N 2.872 121.522 118.700 -0.083 0.000 3.124 372 N HA 0.214 4.954 4.740 -0.000 0.000 0.284 372 N C -0.608 174.864 175.510 -0.063 0.000 1.209 372 N CA -0.092 52.923 53.050 -0.059 0.000 1.149 372 N CB -0.280 38.181 38.487 -0.044 0.000 1.434 372 N HN 0.406 nan 8.380 nan 0.000 0.529 373 I N 2.210 122.732 120.570 -0.081 0.000 2.347 373 I HA 0.059 4.229 4.170 -0.000 0.000 0.294 373 I C 0.077 176.194 176.117 0.000 0.000 1.090 373 I CA -0.579 60.680 61.300 -0.068 0.000 1.314 373 I CB 0.701 38.610 38.000 -0.152 0.000 1.423 373 I HN -0.023 nan 8.210 nan 0.000 0.503 374 V N 6.259 126.197 119.914 0.039 0.000 2.455 374 V HA 0.061 4.181 4.120 -0.000 0.000 0.273 374 V C 1.229 177.354 176.094 0.053 0.000 1.045 374 V CA 0.177 62.504 62.300 0.045 0.000 0.976 374 V CB 1.046 32.904 31.823 0.059 0.000 0.993 374 V HN 0.910 nan 8.190 nan 0.000 0.475 375 T N 0.678 115.255 114.554 0.039 0.000 3.044 375 T HA 0.358 4.708 4.350 -0.000 0.000 0.260 375 T C 0.179 174.897 174.700 0.030 0.000 1.019 375 T CA -0.281 61.843 62.100 0.039 0.000 0.921 375 T CB 0.266 69.155 68.868 0.035 0.000 1.053 375 T HN 0.563 nan 8.240 nan 0.000 0.533 376 E N 1.295 121.511 120.200 0.028 0.000 2.293 376 E HA 0.509 4.859 4.350 -0.000 0.000 0.270 376 E C -0.902 175.718 176.600 0.033 0.000 0.879 376 E CA -0.597 55.817 56.400 0.023 0.000 0.756 376 E CB 1.545 31.255 29.700 0.017 0.000 1.208 376 E HN 0.018 nan 8.360 nan 0.000 0.428 377 T N 2.211 116.787 114.554 0.037 0.000 2.905 377 T HA 0.198 4.548 4.350 -0.000 0.000 0.299 377 T C -0.284 174.455 174.700 0.065 0.000 1.024 377 T CA 0.380 62.522 62.100 0.071 0.000 1.151 377 T CB 0.046 68.936 68.868 0.037 0.000 0.987 377 T HN 0.308 nan 8.240 nan 0.000 0.535 378 T N 3.979 118.590 114.554 0.095 0.000 2.881 378 T HA 0.223 4.573 4.350 -0.000 0.000 0.291 378 T C -0.578 174.181 174.700 0.099 0.000 0.990 378 T CA -0.900 61.239 62.100 0.065 0.000 0.976 378 T CB 1.099 69.987 68.868 0.034 0.000 0.970 378 T HN 0.458 nan 8.240 nan 0.000 0.438 379 D N 2.980 123.430 120.400 0.083 0.000 2.383 379 D HA 0.305 4.945 4.640 -0.000 0.000 0.252 379 D C 0.363 176.699 176.300 0.061 0.000 1.166 379 D CA 0.252 54.309 54.000 0.096 0.000 0.879 379 D CB 0.942 41.781 40.800 0.064 0.000 1.164 379 D HN 0.379 nan 8.370 nan 0.000 0.462 380 R N 1.515 122.050 120.500 0.059 0.000 2.536 380 R HA 0.082 4.422 4.340 -0.000 0.000 0.269 380 R C -1.060 175.255 176.300 0.024 0.000 1.113 380 R CA -0.584 55.533 56.100 0.027 0.000 0.948 380 R CB 1.406 31.709 30.300 0.006 0.000 1.237 380 R HN 0.301 nan 8.270 nan 0.000 0.441 381 E N 5.699 125.912 120.200 0.022 0.000 1.858 381 E HA 0.105 4.455 4.350 -0.000 0.000 0.267 381 E C -0.543 176.063 176.600 0.011 0.000 1.215 381 E CA -0.144 56.267 56.400 0.019 0.000 0.952 381 E CB 0.310 30.020 29.700 0.017 0.000 1.058 381 E HN 0.379 nan 8.360 nan 0.000 0.407 382 L N 3.110 124.336 121.223 0.005 0.000 2.418 382 L HA 0.203 4.543 4.340 -0.000 0.000 0.265 382 L C 1.141 178.019 176.870 0.014 0.000 1.143 382 L CA -0.282 54.563 54.840 0.008 0.000 0.809 382 L CB 1.327 43.381 42.059 -0.008 0.000 1.124 382 L HN 0.484 nan 8.230 nan 0.000 0.456 383 T N -1.408 113.158 114.554 0.021 0.000 3.075 383 T HA 0.090 4.440 4.350 -0.000 0.000 0.251 383 T C 0.273 174.989 174.700 0.026 0.000 0.979 383 T CA 0.292 62.404 62.100 0.019 0.000 1.033 383 T CB 0.645 69.523 68.868 0.017 0.000 1.104 383 T HN 0.615 nan 8.240 nan 0.000 0.473 384 T N 2.751 117.327 114.554 0.036 0.000 2.881 384 T HA 0.685 5.035 4.350 -0.000 0.000 0.290 384 T C -0.845 173.889 174.700 0.056 0.000 1.000 384 T CA -0.719 61.407 62.100 0.042 0.000 0.978 384 T CB 2.157 71.051 68.868 0.043 0.000 0.997 384 T HN 0.221 nan 8.240 nan 0.000 0.443 385 V N 0.904 120.854 119.914 0.059 0.000 3.001 385 V HA 0.884 5.004 4.120 -0.000 0.000 0.314 385 V C -0.759 175.351 176.094 0.027 0.000 1.099 385 V CA -1.235 61.106 62.300 0.069 0.000 0.989 385 V CB 2.204 34.115 31.823 0.146 0.000 1.040 385 V HN 0.989 nan 8.190 nan 0.000 0.434 386 M N 2.848 122.430 119.600 -0.029 0.000 2.464 386 M HA 0.760 5.240 4.480 -0.000 0.000 0.308 386 M C -1.060 175.184 176.300 -0.092 0.000 1.127 386 M CA -0.286 54.997 55.300 -0.029 0.000 0.913 386 M CB 2.209 34.821 32.600 0.020 0.000 1.689 386 M HN 1.005 nan 8.290 nan 0.000 0.445 387 S N 3.165 118.822 115.700 -0.071 0.000 2.614 387 S HA 0.582 5.052 4.470 -0.000 0.000 0.288 387 S C -1.485 173.022 174.600 -0.155 0.000 1.137 387 S CA -0.772 57.361 58.200 -0.112 0.000 0.992 387 S CB 1.017 64.165 63.200 -0.087 0.000 1.026 387 S HN 0.842 nan 8.310 nan 0.000 0.486 388 N N 2.183 120.734 118.700 -0.249 0.000 2.443 388 N HA 0.536 5.276 4.740 -0.000 0.000 0.295 388 N C -1.301 173.845 175.510 -0.607 0.000 1.076 388 N CA -0.362 52.373 53.050 -0.525 0.000 0.919 388 N CB 1.828 39.859 38.487 -0.761 0.000 1.176 388 N HN 0.484 nan 8.380 nan 0.000 0.487 389 S N 1.706 116.970 115.700 -0.727 0.000 2.779 389 S HA 0.489 4.958 4.470 -0.000 0.000 0.293 389 S C -1.270 173.029 174.600 -0.501 0.000 1.150 389 S CA -0.575 57.342 58.200 -0.472 0.000 1.057 389 S CB 0.232 63.293 63.200 -0.232 0.000 1.021 389 S HN 0.278 nan 8.310 nan 0.000 0.485 390 F N 2.000 121.564 119.950 -0.643 0.000 2.434 390 F HA 0.546 5.073 4.527 -0.000 0.000 0.367 390 F C 0.882 176.430 175.800 -0.419 0.000 1.093 390 F CA -1.163 56.523 58.000 -0.522 0.000 1.085 390 F CB 0.998 39.690 39.000 -0.514 0.000 1.322 390 F HN 0.613 nan 8.300 nan 0.000 0.452 391 G N 1.936 110.778 108.800 0.070 0.000 2.476 391 G HA2 0.377 4.337 3.960 -0.000 0.000 0.286 391 G HA3 0.377 4.337 3.960 -0.000 0.000 0.286 391 G C -0.219 174.850 174.900 0.282 0.000 1.177 391 G CA -0.583 44.602 45.100 0.142 0.000 0.870 391 G HN 0.443 nan 8.290 nan 0.000 0.528 392 F N 0.097 120.150 119.950 0.173 0.000 2.642 392 F HA 0.193 4.720 4.527 -0.000 0.000 0.371 392 F C 1.712 177.581 175.800 0.116 0.000 1.120 392 F CA 1.181 59.275 58.000 0.156 0.000 1.331 392 F CB 0.751 39.859 39.000 0.180 0.000 1.044 392 F HN 0.814 nan 8.300 nan 0.000 0.594 393 G N 1.486 110.444 108.800 0.264 0.000 2.157 393 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.239 393 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.239 393 G C 0.659 175.629 174.900 0.117 0.000 0.982 393 G CA 0.039 45.228 45.100 0.148 0.000 0.650 393 G HN 1.795 nan 8.290 nan 0.000 0.527 394 G N -1.204 107.675 108.800 0.132 0.000 2.246 394 G HA2 0.107 4.067 3.960 -0.000 0.000 0.273 394 G HA3 0.107 4.067 3.960 -0.000 0.000 0.273 394 G C 0.339 175.292 174.900 0.089 0.000 1.055 394 G CA 1.399 46.549 45.100 0.083 0.000 0.851 394 G HN 2.031 nan 8.290 nan 0.000 0.500 395 T N 0.220 114.859 114.554 0.142 0.000 2.771 395 T HA 0.603 4.953 4.350 -0.000 0.000 0.281 395 T C -0.168 174.675 174.700 0.239 0.000 0.982 395 T CA -0.636 61.575 62.100 0.184 0.000 0.978 395 T CB 0.494 69.487 68.868 0.209 0.000 0.930 395 T HN 0.283 nan 8.240 nan 0.000 0.447 396 N N 2.812 121.663 118.700 0.251 0.000 2.269 396 N HA 0.722 5.462 4.740 -0.000 0.000 0.304 396 N C -1.248 174.384 175.510 0.203 0.000 1.072 396 N CA -0.593 52.631 53.050 0.290 0.000 0.802 396 N CB 2.127 40.735 38.487 0.202 0.000 1.348 396 N HN 0.773 nan 8.380 nan 0.000 0.484 397 A N 0.728 123.583 122.820 0.058 0.000 2.449 397 A HA 0.788 5.108 4.320 -0.000 0.000 0.302 397 A C -0.756 176.817 177.584 -0.017 0.000 1.048 397 A CA -0.480 51.509 52.037 -0.079 0.000 0.708 397 A CB 1.377 20.097 19.000 -0.465 0.000 1.274 397 A HN 0.452 nan 8.150 nan 0.000 0.410 398 T N 2.011 116.603 114.554 0.063 0.000 2.886 398 T HA 0.617 4.967 4.350 -0.000 0.000 0.292 398 T C -0.853 173.910 174.700 0.106 0.000 1.012 398 T CA -0.257 61.868 62.100 0.043 0.000 0.982 398 T CB 0.992 69.914 68.868 0.090 0.000 1.018 398 T HN 0.499 nan 8.240 nan 0.000 0.451 399 L N 2.449 123.699 121.223 0.046 0.000 2.346 399 L HA 0.794 5.134 4.340 -0.000 0.000 0.276 399 L C -0.810 176.084 176.870 0.039 0.000 1.006 399 L CA -1.133 53.742 54.840 0.058 0.000 0.817 399 L CB 2.018 44.074 42.059 -0.005 0.000 1.272 399 L HN 0.323 nan 8.230 nan 0.000 0.421 400 V N 3.625 123.571 119.914 0.055 0.000 2.487 400 V HA 0.547 4.667 4.120 -0.000 0.000 0.298 400 V C -0.220 175.893 176.094 0.033 0.000 1.028 400 V CA -0.384 61.943 62.300 0.046 0.000 0.860 400 V CB 1.855 33.714 31.823 0.060 0.000 0.991 400 V HN 0.708 nan 8.190 nan 0.000 0.427 401 M N 5.080 124.696 119.600 0.026 0.000 2.395 401 M HA 0.680 5.160 4.480 -0.000 0.000 0.307 401 M C -0.622 175.693 176.300 0.024 0.000 1.091 401 M CA -0.374 54.937 55.300 0.018 0.000 0.919 401 M CB 2.638 35.242 32.600 0.007 0.000 1.662 401 M HN 0.573 nan 8.290 nan 0.000 0.440 402 R N 1.331 121.842 120.500 0.019 0.000 2.673 402 R HA 0.492 4.832 4.340 -0.000 0.000 0.281 402 R C -1.142 175.164 176.300 0.009 0.000 0.991 402 R CA -0.815 55.296 56.100 0.018 0.000 0.896 402 R CB 2.010 32.320 30.300 0.016 0.000 1.201 402 R HN 0.664 nan 8.270 nan 0.000 0.457 403 K N 2.222 122.627 120.400 0.008 0.000 2.469 403 K HA 0.000 4.320 4.320 -0.000 0.000 0.274 403 K C -0.038 176.555 176.600 -0.011 0.000 0.983 403 K CA 0.026 56.310 56.287 -0.004 0.000 0.974 403 K CB 0.451 32.948 32.500 -0.005 0.000 0.913 403 K HN 0.264 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.208 121.223 -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 54.825 54.840 -0.025 0.000 0.813 404 L CB 0.000 42.037 42.059 -0.037 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502