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 2byx_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG 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 SPAISATAAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 K N 1.982 122.389 120.400 0.011 0.000 2.218 2 K HA 0.467 4.787 4.320 -0.000 0.000 0.276 2 K C -0.682 175.921 176.600 0.006 0.000 1.022 2 K CA -0.114 56.176 56.287 0.006 0.000 0.946 2 K CB 0.708 33.209 32.500 0.001 0.000 1.000 2 K HN 0.490 nan 8.250 nan 0.000 0.468 3 R N 0.667 121.169 120.500 0.003 0.000 2.500 3 R HA 0.436 4.776 4.340 -0.000 0.000 0.277 3 R C -0.326 175.969 176.300 -0.009 0.000 1.026 3 R CA -0.731 55.370 56.100 0.001 0.000 1.058 3 R CB 0.995 31.295 30.300 0.001 0.000 1.078 3 R HN 0.212 nan 8.270 nan 0.000 0.509 4 V N 2.905 122.811 119.914 -0.013 0.000 2.588 4 V HA 0.459 4.579 4.120 -0.000 0.000 0.304 4 V C -0.148 175.927 176.094 -0.030 0.000 1.042 4 V CA -0.812 61.470 62.300 -0.030 0.000 0.877 4 V CB 1.675 33.475 31.823 -0.039 0.000 0.996 4 V HN 0.635 nan 8.190 nan 0.000 0.425 5 V N 2.091 121.982 119.914 -0.039 0.000 3.126 5 V HA 0.707 4.827 4.120 -0.000 0.000 0.314 5 V C -0.858 175.213 176.094 -0.038 0.000 1.138 5 V CA -0.948 61.332 62.300 -0.033 0.000 1.034 5 V CB 2.521 34.324 31.823 -0.032 0.000 1.075 5 V HN 0.572 nan 8.190 nan 0.000 0.442 6 I N 2.518 123.083 120.570 -0.009 0.000 2.339 6 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 6 I C 1.034 177.216 176.117 0.108 0.000 0.994 6 I CA 0.154 61.462 61.300 0.014 0.000 1.191 6 I CB 1.170 39.176 38.000 0.010 0.000 1.343 6 I HN 1.038 nan 8.210 nan 0.000 0.458 7 T N 1.144 115.747 114.554 0.082 0.000 3.085 7 T HA 0.512 4.862 4.350 -0.000 0.000 0.264 7 T C 0.516 175.355 174.700 0.232 0.000 1.019 7 T CA -0.334 61.835 62.100 0.115 0.000 0.910 7 T CB 0.407 69.289 68.868 0.023 0.000 1.059 7 T HN 0.778 nan 8.240 nan 0.000 0.542 8 G N 1.361 110.315 108.800 0.257 0.000 2.616 8 G HA2 0.537 4.497 3.960 -0.000 0.000 0.294 8 G HA3 0.537 4.497 3.960 -0.000 0.000 0.294 8 G C -2.061 172.869 174.900 0.050 0.000 1.489 8 G CA -0.900 44.344 45.100 0.241 0.000 0.836 8 G HN 0.652 nan 8.290 nan 0.000 0.527 9 L N -1.158 120.069 121.223 0.007 0.000 2.469 9 L HA 1.069 5.409 4.340 -0.000 0.000 0.256 9 L C -0.027 176.806 176.870 -0.061 0.000 1.006 9 L CA -0.900 53.873 54.840 -0.112 0.000 0.832 9 L CB 1.784 43.665 42.059 -0.297 0.000 1.421 9 L HN 1.340 nan 8.230 nan 0.000 0.410 10 G N 0.587 109.339 108.800 -0.079 0.000 2.733 10 G HA2 0.770 4.730 3.960 -0.000 0.000 0.297 10 G HA3 0.770 4.730 3.960 -0.000 0.000 0.297 10 G C -2.070 172.790 174.900 -0.066 0.000 1.422 10 G CA -0.617 44.450 45.100 -0.056 0.000 0.942 10 G HN 1.031 nan 8.290 nan 0.000 0.510 11 I N 0.521 121.065 120.570 -0.043 0.000 2.842 11 I HA 0.589 4.759 4.170 -0.000 0.000 0.297 11 I C -1.579 174.518 176.117 -0.033 0.000 1.380 11 I CA -0.925 60.343 61.300 -0.053 0.000 1.018 11 I CB 2.328 40.288 38.000 -0.066 0.000 1.311 11 I HN 0.367 nan 8.210 nan 0.000 0.439 12 V N 6.299 126.176 119.914 -0.060 0.000 2.445 12 V HA 0.517 4.637 4.120 -0.000 0.000 0.283 12 V C -0.278 175.714 176.094 -0.169 0.000 1.014 12 V CA -0.184 62.059 62.300 -0.096 0.000 0.852 12 V CB 1.304 33.073 31.823 -0.090 0.000 1.021 12 V HN 0.821 nan 8.190 nan 0.000 0.435 13 S N 2.325 117.960 115.700 -0.109 0.000 2.740 13 S HA 0.473 4.943 4.470 -0.000 0.000 0.300 13 S C 1.213 175.752 174.600 -0.101 0.000 1.147 13 S CA 0.095 58.235 58.200 -0.100 0.000 0.871 13 S CB 1.790 65.019 63.200 0.048 0.000 1.173 13 S HN 0.851 nan 8.310 nan 0.000 0.510 14 S N 0.333 115.979 115.700 -0.089 0.000 2.469 14 S HA -0.084 4.386 4.470 -0.000 0.000 0.238 14 S C 1.431 176.004 174.600 -0.045 0.000 0.998 14 S CA 1.072 59.224 58.200 -0.080 0.000 0.957 14 S CB -1.148 62.015 63.200 -0.062 0.000 0.764 14 S HN 0.981 nan 8.310 nan 0.000 0.514 15 I N -2.578 117.972 120.570 -0.032 0.000 3.974 15 I HA 0.662 4.832 4.170 -0.000 0.000 0.334 15 I C 0.555 176.658 176.117 -0.022 0.000 1.437 15 I CA -0.425 60.853 61.300 -0.037 0.000 1.113 15 I CB 0.222 38.174 38.000 -0.080 0.000 1.063 15 I HN 0.276 nan 8.210 nan 0.000 0.400 16 G N 1.091 109.883 108.800 -0.014 0.000 2.405 16 G HA2 0.045 4.005 3.960 -0.000 0.000 0.303 16 G HA3 0.045 4.005 3.960 -0.000 0.000 0.303 16 G C -0.800 174.094 174.900 -0.010 0.000 1.644 16 G CA -0.638 44.458 45.100 -0.006 0.000 0.899 16 G HN -0.004 nan 8.290 nan 0.000 0.667 17 N N 0.164 118.859 118.700 -0.010 0.000 2.322 17 N HA 0.089 4.829 4.740 -0.000 0.000 0.194 17 N C 0.377 175.890 175.510 0.005 0.000 1.126 17 N CA 0.730 53.775 53.050 -0.009 0.000 0.845 17 N CB 0.222 38.709 38.487 -0.000 0.000 0.976 17 N HN 0.823 nan 8.380 nan 0.000 0.475 18 N N -1.854 116.852 118.700 0.010 0.000 3.227 18 N HA -0.020 4.720 4.740 -0.000 0.000 0.241 18 N C 0.319 175.844 175.510 0.026 0.000 1.480 18 N CA -0.694 52.366 53.050 0.016 0.000 0.886 18 N CB 0.470 38.968 38.487 0.019 0.000 1.406 18 N HN -0.157 nan 8.380 nan 0.000 0.514 19 Q N -1.141 118.679 119.800 0.033 0.000 2.291 19 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 19 Q C 0.718 176.745 176.000 0.044 0.000 0.976 19 Q CA 1.483 57.317 55.803 0.051 0.000 0.875 19 Q CB -0.266 28.512 28.738 0.066 0.000 0.927 19 Q HN 0.630 nan 8.270 nan 0.000 0.450 20 Q N 1.367 121.184 119.800 0.027 0.000 2.016 20 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 20 Q C 1.819 177.808 176.000 -0.017 0.000 0.978 20 Q CA 1.937 57.740 55.803 0.001 0.000 0.833 20 Q CB 0.020 28.760 28.738 0.003 0.000 0.895 20 Q HN 0.552 nan 8.270 nan 0.000 0.427 21 E N -0.299 119.897 120.200 -0.006 0.000 2.110 21 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 21 E C 1.953 178.545 176.600 -0.014 0.000 0.988 21 E CA 1.245 57.636 56.400 -0.014 0.000 0.804 21 E CB -0.023 29.673 29.700 -0.007 0.000 0.745 21 E HN 0.112 nan 8.360 nan 0.000 0.458 22 V N 1.381 121.302 119.914 0.012 0.000 2.358 22 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 22 V C 2.268 178.368 176.094 0.011 0.000 1.047 22 V CA 1.327 63.647 62.300 0.033 0.000 1.035 22 V CB -0.348 31.551 31.823 0.127 0.000 0.658 22 V HN 0.227 nan 8.190 nan 0.000 0.452 23 L N 1.095 122.320 121.223 0.003 0.000 2.042 23 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 23 L C 2.441 179.240 176.870 -0.118 0.000 1.076 23 L CA 2.467 57.281 54.840 -0.044 0.000 0.749 23 L CB -0.977 40.988 42.059 -0.157 0.000 0.893 23 L HN 0.217 nan 8.230 nan 0.000 0.432 24 A N -1.454 121.300 122.820 -0.110 0.000 1.902 24 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 24 A C 2.389 179.911 177.584 -0.104 0.000 1.181 24 A CA 2.052 54.017 52.037 -0.120 0.000 0.623 24 A CB -0.955 17.994 19.000 -0.084 0.000 0.818 24 A HN 0.552 nan 8.150 nan 0.000 0.443 25 S N -0.173 115.481 115.700 -0.076 0.000 2.355 25 S HA -0.055 4.415 4.470 -0.000 0.000 0.222 25 S C 1.843 176.398 174.600 -0.075 0.000 1.031 25 S CA 1.351 59.508 58.200 -0.072 0.000 0.993 25 S CB -0.457 62.701 63.200 -0.071 0.000 0.859 25 S HN 0.509 nan 8.310 nan 0.000 0.453 26 L N 1.113 122.300 121.223 -0.059 0.000 2.012 26 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 26 L C 2.799 179.687 176.870 0.030 0.000 1.073 26 L CA 1.139 55.987 54.840 0.014 0.000 0.748 26 L CB -0.497 41.663 42.059 0.168 0.000 0.891 26 L HN 0.186 nan 8.230 nan 0.000 0.431 27 R N 0.072 120.477 120.500 -0.157 0.000 2.096 27 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 27 R C 2.000 178.201 176.300 -0.165 0.000 1.127 27 R CA 1.270 57.164 56.100 -0.343 0.000 0.968 27 R CB -0.429 29.570 30.300 -0.502 0.000 0.861 27 R HN 0.495 nan 8.270 nan 0.000 0.440 28 E N -0.089 120.040 120.200 -0.117 0.000 2.442 28 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 28 E C 0.319 176.891 176.600 -0.048 0.000 1.030 28 E CA 0.517 56.870 56.400 -0.078 0.000 0.869 28 E CB 0.182 29.839 29.700 -0.071 0.000 0.857 28 E HN 0.430 nan 8.360 nan 0.000 0.505 29 G N 2.373 111.150 108.800 -0.039 0.000 2.221 29 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.265 29 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.265 29 G C 0.104 174.985 174.900 -0.032 0.000 1.041 29 G CA 0.614 45.699 45.100 -0.025 0.000 0.807 29 G HN 0.310 nan 8.290 nan 0.000 0.502 30 R N 0.296 120.771 120.500 -0.042 0.000 2.438 30 R HA 0.476 4.816 4.340 -0.000 0.000 0.287 30 R C 0.738 177.017 176.300 -0.036 0.000 1.077 30 R CA 0.363 56.442 56.100 -0.035 0.000 1.034 30 R CB 0.512 30.790 30.300 -0.037 0.000 0.993 30 R HN 0.274 nan 8.270 nan 0.000 0.459 31 S N 1.719 117.408 115.700 -0.020 0.000 2.562 31 S HA 0.307 4.777 4.470 -0.000 0.000 0.275 31 S C 0.798 175.397 174.600 -0.001 0.000 1.281 31 S CA -0.313 57.880 58.200 -0.012 0.000 1.045 31 S CB 1.405 64.607 63.200 0.003 0.000 0.962 31 S HN 0.776 nan 8.310 nan 0.000 0.503 32 G N 3.720 112.520 108.800 -0.000 0.000 3.277 32 G HA2 0.234 4.194 3.960 -0.000 0.000 0.243 32 G HA3 0.234 4.194 3.960 -0.000 0.000 0.243 32 G C 0.109 175.038 174.900 0.048 0.000 1.107 32 G CA -0.252 44.854 45.100 0.009 0.000 0.771 32 G HN 0.616 nan 8.290 nan 0.000 0.544 33 I N 2.696 123.308 120.570 0.070 0.000 2.395 33 I HA 0.362 4.532 4.170 -0.000 0.000 0.289 33 I C 0.618 176.832 176.117 0.162 0.000 1.023 33 I CA -0.240 61.136 61.300 0.127 0.000 1.350 33 I CB 0.400 38.464 38.000 0.107 0.000 1.409 33 I HN 0.077 nan 8.210 nan 0.000 0.507 34 T N 2.804 117.509 114.554 0.251 0.000 2.865 34 T HA 0.535 4.885 4.350 -0.000 0.000 0.294 34 T C -0.518 174.334 174.700 0.253 0.000 1.119 34 T CA -0.740 61.515 62.100 0.257 0.000 1.007 34 T CB 1.814 70.847 68.868 0.275 0.000 1.225 34 T HN 0.205 nan 8.240 nan 0.000 0.515 35 F N 1.715 121.709 119.950 0.074 0.000 2.484 35 F HA 0.549 5.076 4.527 -0.000 0.000 0.360 35 F C 0.466 176.178 175.800 -0.146 0.000 1.101 35 F CA -0.108 57.880 58.000 -0.021 0.000 1.251 35 F CB 0.889 39.887 39.000 -0.004 0.000 1.132 35 F HN 0.681 nan 8.300 nan 0.000 0.570 36 S N 4.896 119.802 115.700 -1.323 0.000 2.566 36 S HA 0.194 4.664 4.470 -0.000 0.000 0.324 36 S C 0.511 174.273 174.600 -1.397 0.000 1.081 36 S CA -0.670 56.686 58.200 -1.407 0.000 1.105 36 S CB 1.251 63.121 63.200 -2.216 0.000 0.981 36 S HN 0.875 nan 8.310 nan 0.000 0.464 37 Q N 3.412 122.712 119.800 -0.834 0.000 2.167 37 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 37 Q C 1.747 177.503 176.000 -0.407 0.000 0.970 37 Q CA 2.109 57.639 55.803 -0.455 0.000 0.855 37 Q CB -0.150 28.544 28.738 -0.074 0.000 0.911 37 Q HN 0.901 nan 8.270 nan 0.000 0.438 38 E N -0.490 119.476 120.200 -0.390 0.000 2.051 38 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 38 E C 1.791 178.213 176.600 -0.296 0.000 0.991 38 E CA 1.297 57.553 56.400 -0.240 0.000 0.799 38 E CB -0.146 29.536 29.700 -0.029 0.000 0.748 38 E HN 0.461 nan 8.360 nan 0.000 0.449 39 L N 0.600 121.539 121.223 -0.475 0.000 2.056 39 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 39 L C 2.838 179.521 176.870 -0.313 0.000 1.078 39 L CA 1.250 55.912 54.840 -0.297 0.000 0.749 39 L CB -0.473 41.378 42.059 -0.347 0.000 0.901 39 L HN 0.126 nan 8.230 nan 0.000 0.433 40 K N 0.362 120.441 120.400 -0.536 0.000 2.026 40 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 40 K C 1.669 178.047 176.600 -0.371 0.000 1.048 40 K CA 1.830 57.716 56.287 -0.668 0.000 0.929 40 K CB -0.013 32.016 32.500 -0.784 0.000 0.713 40 K HN 0.219 nan 8.250 nan 0.000 0.439 41 D N 0.303 120.514 120.400 -0.315 0.000 2.218 41 D HA -0.129 4.511 4.640 -0.000 0.000 0.204 41 D C 1.896 178.011 176.300 -0.307 0.000 0.976 41 D CA 1.483 55.330 54.000 -0.256 0.000 0.853 41 D CB -0.124 40.541 40.800 -0.224 0.000 0.939 41 D HN 0.364 nan 8.370 nan 0.000 0.481 42 S N -0.772 114.706 115.700 -0.370 0.000 2.481 42 S HA 0.109 4.579 4.470 -0.000 0.000 0.231 42 S C 1.769 176.206 174.600 -0.272 0.000 0.996 42 S CA 1.079 58.982 58.200 -0.494 0.000 0.942 42 S CB 0.206 63.103 63.200 -0.506 0.000 0.768 42 S HN 0.332 nan 8.310 nan 0.000 0.520 43 G N 0.426 109.126 108.800 -0.167 0.000 2.179 43 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 43 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 43 G C 0.040 174.945 174.900 0.008 0.000 0.990 43 G CA 0.034 45.090 45.100 -0.075 0.000 0.646 43 G HN 0.477 nan 8.290 nan 0.000 0.517 44 M N -0.397 119.222 119.600 0.032 0.000 2.157 44 M HA 0.403 4.883 4.480 -0.000 0.000 0.304 44 M C 1.870 178.282 176.300 0.187 0.000 1.171 44 M CA 0.229 55.592 55.300 0.105 0.000 1.157 44 M CB 0.438 33.108 32.600 0.117 0.000 1.403 44 M HN 0.155 nan 8.290 nan 0.000 0.473 45 R N -0.483 120.076 120.500 0.098 0.000 2.189 45 R HA 0.116 4.456 4.340 -0.000 0.000 0.203 45 R C 0.453 176.630 176.300 -0.204 0.000 1.012 45 R CA 0.177 56.263 56.100 -0.023 0.000 1.015 45 R CB 0.274 30.555 30.300 -0.032 0.000 0.938 45 R HN 0.578 nan 8.270 nan 0.000 0.472 46 S N 0.571 116.247 115.700 -0.041 0.000 2.465 46 S HA 0.116 4.585 4.470 -0.000 0.000 0.279 46 S C -0.028 174.618 174.600 0.076 0.000 1.201 46 S CA -0.522 57.644 58.200 -0.057 0.000 1.053 46 S CB 0.288 63.472 63.200 -0.027 0.000 0.953 46 S HN 0.341 nan 8.310 nan 0.000 0.488 47 H N 2.940 121.957 119.070 -0.087 0.000 2.486 47 H HA 0.322 4.878 4.556 -0.000 0.000 0.284 47 H C 0.062 175.189 175.328 -0.335 0.000 1.103 47 H CA -0.586 55.316 56.048 -0.244 0.000 1.089 47 H CB 0.535 30.241 29.762 -0.092 0.000 1.603 47 H HN 0.471 nan 8.280 nan 0.000 0.557 48 V N -1.736 118.136 119.914 -0.070 0.000 2.914 48 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 48 V C -1.310 174.844 176.094 0.102 0.000 1.084 48 V CA -0.923 61.363 62.300 -0.022 0.000 0.963 48 V CB 2.222 34.105 31.823 0.100 0.000 1.025 48 V HN 0.392 nan 8.190 nan 0.000 0.432 49 W N 0.933 122.244 121.300 0.017 0.000 3.059 49 W HA 0.793 5.453 4.660 -0.000 0.000 0.329 49 W C -0.371 176.162 176.519 0.022 0.000 1.246 49 W CA -1.639 55.718 57.345 0.019 0.000 1.190 49 W CB 0.782 30.252 29.460 0.016 0.000 1.423 49 W HN 1.043 nan 8.180 nan 0.000 0.571 50 G N 2.052 110.953 108.800 0.168 0.000 2.922 50 G HA2 0.392 4.352 3.960 -0.000 0.000 0.335 50 G HA3 0.392 4.352 3.960 -0.000 0.000 0.335 50 G C -0.394 174.371 174.900 -0.224 0.000 1.016 50 G CA -0.776 44.327 45.100 0.005 0.000 1.306 50 G HN 0.623 nan 8.290 nan 0.000 0.465 51 N N -0.074 118.400 118.700 -0.376 0.000 2.493 51 N HA 0.423 5.163 4.740 -0.000 0.000 0.275 51 N C -0.409 174.919 175.510 -0.303 0.000 1.186 51 N CA -0.894 51.817 53.050 -0.565 0.000 0.978 51 N CB 1.891 39.915 38.487 -0.773 0.000 1.184 51 N HN -0.022 nan 8.380 nan 0.000 0.487 52 V N 1.101 120.824 119.914 -0.320 0.000 2.455 52 V HA 0.077 4.197 4.120 -0.000 0.000 0.273 52 V C -0.021 175.999 176.094 -0.122 0.000 1.045 52 V CA -0.308 61.839 62.300 -0.255 0.000 0.976 52 V CB 0.504 32.075 31.823 -0.419 0.000 0.993 52 V HN 0.678 nan 8.190 nan 0.000 0.475 53 K N 5.564 125.920 120.400 -0.074 0.000 2.222 53 K HA 0.570 4.890 4.320 -0.000 0.000 0.243 53 K C -0.854 175.744 176.600 -0.004 0.000 1.160 53 K CA 0.060 56.336 56.287 -0.019 0.000 1.090 53 K CB 0.206 32.705 32.500 -0.002 0.000 1.694 53 K HN 0.476 nan 8.250 nan 0.000 0.361 54 L N 0.478 121.709 121.223 0.013 0.000 2.549 54 L HA 0.373 4.713 4.340 -0.000 0.000 0.259 54 L C -1.816 175.085 176.870 0.052 0.000 0.934 54 L CA -0.566 54.294 54.840 0.032 0.000 0.865 54 L CB 2.274 44.355 42.059 0.036 0.000 1.352 54 L HN 0.213 nan 8.230 nan 0.000 0.410 55 D N 1.680 122.107 120.400 0.044 0.000 2.441 55 D HA 0.255 4.895 4.640 -0.000 0.000 0.221 55 D C 1.003 177.328 176.300 0.042 0.000 1.156 55 D CA 0.451 54.475 54.000 0.041 0.000 0.896 55 D CB 1.117 41.936 40.800 0.031 0.000 1.028 55 D HN 0.680 nan 8.370 nan 0.000 0.509 56 T N -0.055 114.528 114.554 0.049 0.000 3.160 56 T HA -0.017 4.332 4.350 -0.000 0.000 0.257 56 T C 0.854 175.558 174.700 0.006 0.000 1.147 56 T CA -0.171 61.953 62.100 0.040 0.000 1.064 56 T CB -0.504 68.391 68.868 0.045 0.000 0.949 56 T HN 0.239 nan 8.240 nan 0.000 0.526 57 T N 2.533 117.088 114.554 0.003 0.000 2.871 57 T HA 0.391 4.741 4.350 -0.000 0.000 0.296 57 T C 1.502 176.193 174.700 -0.014 0.000 0.998 57 T CA 0.822 62.914 62.100 -0.013 0.000 1.162 57 T CB -0.026 68.838 68.868 -0.006 0.000 0.947 57 T HN 0.741 nan 8.240 nan 0.000 0.536 58 G N 2.830 111.611 108.800 -0.032 0.000 2.166 58 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 58 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 58 G C 0.787 175.676 174.900 -0.019 0.000 0.986 58 G CA 0.345 45.428 45.100 -0.029 0.000 0.683 58 G HN 0.711 nan 8.290 nan 0.000 0.527 59 L N -0.752 120.463 121.223 -0.013 0.000 2.446 59 L HA 0.403 4.743 4.340 -0.000 0.000 0.219 59 L C 1.194 178.069 176.870 0.009 0.000 1.116 59 L CA 0.574 55.425 54.840 0.018 0.000 0.844 59 L CB 0.055 42.142 42.059 0.047 0.000 0.970 59 L HN 0.283 nan 8.230 nan 0.000 0.457 60 I N -0.894 119.630 120.570 -0.076 0.000 2.545 60 I HA 0.159 4.329 4.170 -0.000 0.000 0.292 60 I C -0.452 175.563 176.117 -0.170 0.000 1.040 60 I CA -0.933 60.258 61.300 -0.183 0.000 1.068 60 I CB 2.314 40.056 38.000 -0.430 0.000 1.251 60 I HN -0.168 nan 8.210 nan 0.000 0.424 61 D N 3.599 123.907 120.400 -0.154 0.000 2.583 61 D HA -0.032 4.608 4.640 -0.000 0.000 0.232 61 D C 1.264 177.478 176.300 -0.142 0.000 1.128 61 D CA 0.561 54.491 54.000 -0.117 0.000 0.859 61 D CB 0.891 41.634 40.800 -0.095 0.000 1.169 61 D HN 0.383 nan 8.370 nan 0.000 0.481 62 R N 2.542 122.974 120.500 -0.114 0.000 2.103 62 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 62 R C 1.756 177.966 176.300 -0.149 0.000 1.142 62 R CA 1.560 57.581 56.100 -0.131 0.000 0.960 62 R CB -0.097 30.142 30.300 -0.101 0.000 0.858 62 R HN 0.475 nan 8.270 nan 0.000 0.439 63 K N -0.044 120.298 120.400 -0.096 0.000 2.365 63 K HA -0.037 4.283 4.320 -0.000 0.000 0.199 63 K C 1.757 178.369 176.600 0.020 0.000 1.045 63 K CA 0.797 57.056 56.287 -0.046 0.000 0.962 63 K CB 0.289 32.790 32.500 0.003 0.000 0.759 63 K HN 0.049 nan 8.250 nan 0.000 0.469 64 V N -0.153 119.724 119.914 -0.062 0.000 2.436 64 V HA -0.104 4.016 4.120 -0.000 0.000 0.240 64 V C 1.882 177.907 176.094 -0.115 0.000 1.040 64 V CA 0.846 63.104 62.300 -0.070 0.000 1.052 64 V CB 0.155 31.852 31.823 -0.211 0.000 0.707 64 V HN 0.066 nan 8.190 nan 0.000 0.469 65 V N 2.516 122.285 119.914 -0.242 0.000 2.867 65 V HA -0.222 3.898 4.120 -0.000 0.000 0.260 65 V C 2.731 178.646 176.094 -0.298 0.000 1.099 65 V CA 2.234 64.366 62.300 -0.281 0.000 1.122 65 V CB -0.723 30.934 31.823 -0.276 0.000 0.708 65 V HN 0.725 nan 8.190 nan 0.000 0.490 66 R N -1.133 119.137 120.500 -0.383 0.000 2.241 66 R HA -0.100 4.240 4.340 -0.000 0.000 0.224 66 R C 1.583 177.372 176.300 -0.852 0.000 1.101 66 R CA 1.946 57.615 56.100 -0.718 0.000 0.995 66 R CB -0.596 29.065 30.300 -1.066 0.000 0.870 66 R HN 0.516 nan 8.270 nan 0.000 0.463 67 F N 0.688 120.404 119.950 -0.389 0.000 2.695 67 F HA 0.388 4.915 4.527 -0.000 0.000 0.303 67 F C 0.636 176.288 175.800 -0.247 0.000 1.091 67 F CA -0.382 57.478 58.000 -0.235 0.000 1.300 67 F CB 0.290 39.220 39.000 -0.117 0.000 1.071 67 F HN -0.126 nan 8.300 nan 0.000 0.578 68 M N -0.044 119.457 119.600 -0.164 0.000 2.423 68 M HA 0.363 4.843 4.480 -0.000 0.000 0.335 68 M C 0.359 176.471 176.300 -0.313 0.000 1.177 68 M CA -0.648 54.534 55.300 -0.197 0.000 1.038 68 M CB 1.748 34.238 32.600 -0.183 0.000 1.641 68 M HN 0.002 nan 8.290 nan 0.000 0.455 69 S N -0.254 115.307 115.700 -0.233 0.000 2.745 69 S HA 0.352 4.822 4.470 -0.000 0.000 0.292 69 S C 0.315 174.838 174.600 -0.129 0.000 1.133 69 S CA -0.806 57.306 58.200 -0.147 0.000 0.998 69 S CB 1.099 64.294 63.200 -0.008 0.000 1.087 69 S HN 0.679 nan 8.310 nan 0.000 0.551 70 D N 1.126 121.454 120.400 -0.120 0.000 2.123 70 D HA -0.074 4.566 4.640 -0.000 0.000 0.196 70 D C 2.198 178.181 176.300 -0.528 0.000 0.992 70 D CA 1.840 55.578 54.000 -0.436 0.000 0.833 70 D CB -0.892 39.648 40.800 -0.434 0.000 0.954 70 D HN 0.685 nan 8.370 nan 0.000 0.455 71 A N 0.555 123.266 122.820 -0.183 0.000 1.883 71 A HA -0.197 4.122 4.320 -0.000 0.000 0.217 71 A C 2.474 180.052 177.584 -0.011 0.000 1.186 71 A CA 2.118 54.140 52.037 -0.025 0.000 0.624 71 A CB -0.657 18.367 19.000 0.041 0.000 0.822 71 A HN 0.189 nan 8.150 nan 0.000 0.444 72 S N -0.341 115.339 115.700 -0.034 0.000 2.383 72 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 72 S C 1.805 176.431 174.600 0.043 0.000 1.026 72 S CA 1.352 59.565 58.200 0.022 0.000 0.981 72 S CB -0.478 62.721 63.200 -0.001 0.000 0.818 72 S HN 0.533 nan 8.310 nan 0.000 0.472 73 I N 0.386 120.901 120.570 -0.092 0.000 2.142 73 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 73 I C 2.071 178.245 176.117 0.095 0.000 1.078 73 I CA 1.360 62.614 61.300 -0.077 0.000 1.343 73 I CB -0.466 37.392 38.000 -0.237 0.000 1.046 73 I HN 0.258 nan 8.210 nan 0.000 0.405 74 Y N 0.874 121.211 120.300 0.062 0.000 2.165 74 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 74 Y C 2.654 178.591 175.900 0.062 0.000 1.155 74 Y CA 0.847 58.975 58.100 0.047 0.000 1.164 74 Y CB -1.340 37.125 38.460 0.007 0.000 0.978 74 Y HN 0.142 nan 8.280 nan 0.000 0.513 75 A N -0.643 122.314 122.820 0.228 0.000 1.930 75 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 75 A C 2.199 179.871 177.584 0.146 0.000 1.175 75 A CA 1.166 53.286 52.037 0.139 0.000 0.627 75 A CB -1.306 17.758 19.000 0.107 0.000 0.815 75 A HN 0.434 nan 8.150 nan 0.000 0.443 76 F N 0.704 120.703 119.950 0.081 0.000 2.102 76 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 76 F C 1.930 177.813 175.800 0.138 0.000 1.105 76 F CA 1.827 59.917 58.000 0.149 0.000 1.239 76 F CB -0.163 38.911 39.000 0.123 0.000 0.991 76 F HN 0.141 nan 8.300 nan 0.000 0.474 77 L N -0.801 120.639 121.223 0.361 0.000 2.046 77 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 77 L C 2.525 179.437 176.870 0.071 0.000 1.077 77 L CA 1.373 56.350 54.840 0.228 0.000 0.747 77 L CB -0.993 41.199 42.059 0.223 0.000 0.896 77 L HN 0.068 nan 8.230 nan 0.000 0.432 78 S N -0.328 115.401 115.700 0.050 0.000 2.382 78 S HA -0.223 4.247 4.470 -0.000 0.000 0.228 78 S C 1.937 176.474 174.600 -0.104 0.000 1.027 78 S CA 1.623 59.811 58.200 -0.020 0.000 0.991 78 S CB -0.228 62.961 63.200 -0.018 0.000 0.823 78 S HN 0.365 nan 8.310 nan 0.000 0.469 79 M N 1.302 120.784 119.600 -0.196 0.000 2.175 79 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 79 M C 1.896 177.919 176.300 -0.463 0.000 1.063 79 M CA 1.375 56.418 55.300 -0.429 0.000 1.119 79 M CB -0.125 32.016 32.600 -0.765 0.000 1.377 79 M HN 0.236 nan 8.290 nan 0.000 0.415 80 E N -0.102 119.920 120.200 -0.297 0.000 2.077 80 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 80 E C 2.037 178.580 176.600 -0.096 0.000 0.989 80 E CA 1.557 57.868 56.400 -0.148 0.000 0.800 80 E CB -0.183 29.511 29.700 -0.011 0.000 0.746 80 E HN 0.685 nan 8.360 nan 0.000 0.452 81 Q N 0.228 119.988 119.800 -0.065 0.000 2.050 81 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 81 Q C 2.250 178.230 176.000 -0.032 0.000 0.980 81 Q CA 1.373 57.159 55.803 -0.028 0.000 0.840 81 Q CB -0.181 28.549 28.738 -0.013 0.000 0.898 81 Q HN 0.225 nan 8.270 nan 0.000 0.424 82 A N 0.855 123.636 122.820 -0.066 0.000 1.902 82 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 82 A C 2.039 179.617 177.584 -0.010 0.000 1.181 82 A CA 1.168 53.186 52.037 -0.030 0.000 0.623 82 A CB -0.648 18.330 19.000 -0.036 0.000 0.818 82 A HN 0.308 nan 8.150 nan 0.000 0.443 83 I N -0.337 120.174 120.570 -0.098 0.000 2.179 83 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 83 I C 2.988 179.097 176.117 -0.013 0.000 1.088 83 I CA 1.142 62.380 61.300 -0.104 0.000 1.357 83 I CB -0.323 37.482 38.000 -0.326 0.000 1.051 83 I HN 0.372 nan 8.210 nan 0.000 0.409 84 A N 0.243 123.059 122.820 -0.006 0.000 1.873 84 A HA -0.292 4.028 4.320 -0.000 0.000 0.215 84 A C 2.005 179.613 177.584 0.039 0.000 1.186 84 A CA 2.232 54.286 52.037 0.027 0.000 0.616 84 A CB -0.779 18.236 19.000 0.025 0.000 0.823 84 A HN 0.434 nan 8.150 nan 0.000 0.442 85 D N -0.271 120.157 120.400 0.046 0.000 2.221 85 D HA -0.023 4.617 4.640 -0.000 0.000 0.204 85 D C 1.760 178.121 176.300 0.102 0.000 0.982 85 D CA 1.371 55.419 54.000 0.080 0.000 0.857 85 D CB -0.115 40.755 40.800 0.117 0.000 0.934 85 D HN 0.356 nan 8.370 nan 0.000 0.475 86 A N -0.882 121.990 122.820 0.088 0.000 2.169 86 A HA 0.417 4.737 4.320 -0.000 0.000 0.212 86 A C 1.858 179.485 177.584 0.071 0.000 1.153 86 A CA 0.970 53.060 52.037 0.087 0.000 0.756 86 A CB -0.397 18.638 19.000 0.058 0.000 0.813 86 A HN 0.436 nan 8.150 nan 0.000 0.471 87 G N -1.051 107.787 108.800 0.064 0.000 2.147 87 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 87 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 87 G C -0.035 174.915 174.900 0.084 0.000 1.005 87 G CA 0.352 45.488 45.100 0.061 0.000 0.713 87 G HN 0.437 nan 8.290 nan 0.000 0.515 88 L N 0.710 121.998 121.223 0.109 0.000 2.334 88 L HA 0.670 5.010 4.340 -0.000 0.000 0.277 88 L C 0.559 177.579 176.870 0.251 0.000 1.075 88 L CA -0.562 54.388 54.840 0.183 0.000 0.804 88 L CB 1.789 43.971 42.059 0.206 0.000 1.174 88 L HN 0.153 nan 8.230 nan 0.000 0.438 89 S N 2.063 117.924 115.700 0.269 0.000 2.607 89 S HA 0.395 4.865 4.470 -0.000 0.000 0.303 89 S C -1.868 172.808 174.600 0.127 0.000 1.086 89 S CA -1.099 57.228 58.200 0.213 0.000 0.995 89 S CB 2.157 65.415 63.200 0.097 0.000 1.084 89 S HN 0.376 nan 8.310 nan 0.000 0.507 90 P HA -0.190 nan 4.420 nan 0.000 0.217 90 P C 0.721 177.790 177.300 -0.386 0.000 1.158 90 P CA 1.404 64.219 63.100 -0.474 0.000 0.887 90 P CB 0.073 31.634 31.700 -0.230 0.000 0.792 91 E N -0.713 119.389 120.200 -0.163 0.000 2.209 91 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 91 E C 1.992 178.547 176.600 -0.075 0.000 0.993 91 E CA 1.544 57.880 56.400 -0.106 0.000 0.819 91 E CB -0.886 28.786 29.700 -0.047 0.000 0.745 91 E HN 0.269 nan 8.360 nan 0.000 0.477 92 A N 0.044 122.848 122.820 -0.027 0.000 1.984 92 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 92 A C 1.767 179.426 177.584 0.125 0.000 1.173 92 A CA 0.900 52.979 52.037 0.070 0.000 0.673 92 A CB -0.323 18.762 19.000 0.141 0.000 0.830 92 A HN 0.484 nan 8.150 nan 0.000 0.453 93 Y N -1.533 118.812 120.300 0.074 0.000 2.444 93 Y HA 0.471 5.021 4.550 -0.000 0.000 0.252 93 Y C 0.715 176.645 175.900 0.051 0.000 1.091 93 Y CA -0.607 57.555 58.100 0.103 0.000 1.276 93 Y CB -0.187 38.405 38.460 0.220 0.000 1.170 93 Y HN 0.167 nan 8.280 nan 0.000 0.517 94 Q N 1.899 121.402 119.800 -0.496 0.000 2.259 94 Q HA 0.217 4.557 4.340 -0.000 0.000 0.246 94 Q C -0.316 175.498 176.000 -0.310 0.000 0.920 94 Q CA -0.243 55.329 55.803 -0.384 0.000 0.895 94 Q CB 0.619 29.061 28.738 -0.493 0.000 1.220 94 Q HN 0.530 nan 8.270 nan 0.000 0.439 95 N N 1.355 119.757 118.700 -0.497 0.000 2.721 95 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 95 N C -0.961 174.337 175.510 -0.354 0.000 1.072 95 N CA 0.082 52.609 53.050 -0.872 0.000 0.710 95 N CB -0.625 37.598 38.487 -0.440 0.000 0.993 95 N HN 0.426 nan 8.380 nan 0.000 0.547 96 N N -0.019 118.579 118.700 -0.171 0.000 2.483 96 N HA 0.285 5.025 4.740 -0.000 0.000 0.267 96 N C -2.114 173.454 175.510 0.097 0.000 0.998 96 N CA -2.239 50.818 53.050 0.012 0.000 0.918 96 N CB 1.581 40.083 38.487 0.024 0.000 1.215 96 N HN -0.194 nan 8.380 nan 0.000 0.500 97 P HA -0.024 nan 4.420 nan 0.000 0.223 97 P C 0.701 178.037 177.300 0.060 0.000 1.144 97 P CA 0.895 64.063 63.100 0.114 0.000 0.783 97 P CB 0.385 32.137 31.700 0.086 0.000 0.771 98 R N -1.084 119.440 120.500 0.040 0.000 2.317 98 R HA 0.189 4.529 4.340 -0.000 0.000 0.208 98 R C -0.044 176.238 176.300 -0.030 0.000 0.914 98 R CA 0.119 56.217 56.100 -0.003 0.000 1.060 98 R CB -0.045 30.247 30.300 -0.013 0.000 1.015 98 R HN 0.144 nan 8.270 nan 0.000 0.498 99 V N 0.220 120.144 119.914 0.018 0.000 2.444 99 V HA 0.633 4.753 4.120 -0.000 0.000 0.294 99 V C 0.455 176.592 176.094 0.072 0.000 1.022 99 V CA -0.754 61.564 62.300 0.029 0.000 0.850 99 V CB 1.753 33.654 31.823 0.131 0.000 0.992 99 V HN 0.288 nan 8.190 nan 0.000 0.426 100 G N 3.195 112.009 108.800 0.024 0.000 3.140 100 G HA2 0.851 4.811 3.960 -0.000 0.000 0.271 100 G HA3 0.851 4.811 3.960 -0.000 0.000 0.271 100 G C -1.698 173.239 174.900 0.062 0.000 1.370 100 G CA -0.771 44.343 45.100 0.022 0.000 1.014 100 G HN 0.727 nan 8.290 nan 0.000 0.541 101 L N -0.501 120.707 121.223 -0.026 0.000 2.505 101 L HA 0.710 5.050 4.340 -0.000 0.000 0.266 101 L C -1.638 175.154 176.870 -0.131 0.000 0.954 101 L CA -0.667 54.166 54.840 -0.012 0.000 0.852 101 L CB 1.821 43.894 42.059 0.023 0.000 1.282 101 L HN 0.438 nan 8.230 nan 0.000 0.403 102 I N 5.271 125.781 120.570 -0.100 0.000 2.476 102 I HA 0.786 4.956 4.170 -0.000 0.000 0.281 102 I C -0.538 175.573 176.117 -0.010 0.000 1.040 102 I CA -0.345 60.899 61.300 -0.094 0.000 1.094 102 I CB 1.751 39.697 38.000 -0.091 0.000 1.219 102 I HN 0.708 nan 8.210 nan 0.000 0.450 103 A N 4.267 127.101 122.820 0.024 0.000 2.547 103 A HA 0.959 5.279 4.320 -0.000 0.000 0.297 103 A C -0.687 176.933 177.584 0.059 0.000 1.056 103 A CA -0.389 51.666 52.037 0.031 0.000 0.688 103 A CB 1.886 20.894 19.000 0.013 0.000 1.282 103 A HN 0.769 nan 8.150 nan 0.000 0.400 104 G N -0.280 108.554 108.800 0.056 0.000 2.870 104 G HA2 0.854 4.814 3.960 -0.000 0.000 0.299 104 G HA3 0.854 4.814 3.960 -0.000 0.000 0.299 104 G C -0.497 174.435 174.900 0.055 0.000 1.324 104 G CA 0.213 45.352 45.100 0.066 0.000 0.808 104 G HN 1.926 nan 8.290 nan 0.000 0.535 105 S N -2.218 113.518 115.700 0.060 0.000 2.661 105 S HA 0.680 5.150 4.470 -0.000 0.000 0.285 105 S C 0.966 175.604 174.600 0.063 0.000 1.138 105 S CA 0.258 58.492 58.200 0.056 0.000 0.855 105 S CB 1.464 64.702 63.200 0.062 0.000 1.136 105 S HN 1.505 nan 8.310 nan 0.000 0.484 106 G N -0.413 108.425 108.800 0.063 0.000 2.453 106 G HA2 0.378 4.338 3.960 -0.000 0.000 0.215 106 G HA3 0.378 4.338 3.960 -0.000 0.000 0.215 106 G C 0.775 175.732 174.900 0.095 0.000 1.147 106 G CA 0.304 45.451 45.100 0.080 0.000 0.802 106 G HN 1.347 nan 8.290 nan 0.000 0.535 107 G N -1.143 107.713 108.800 0.095 0.000 4.424 107 G HA2 0.492 4.452 3.960 -0.000 0.000 0.287 107 G HA3 0.492 4.452 3.960 -0.000 0.000 0.287 107 G C 0.978 175.925 174.900 0.079 0.000 1.023 107 G CA 0.756 45.910 45.100 0.091 0.000 0.790 107 G HN 1.005 nan 8.290 nan 0.000 0.468 108 G N 0.717 109.562 108.800 0.075 0.000 2.686 108 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.329 108 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.329 108 G C 0.561 175.510 174.900 0.082 0.000 1.187 108 G CA 0.993 46.137 45.100 0.073 0.000 0.965 108 G HN 1.624 nan 8.290 nan 0.000 0.549 109 S N 1.313 117.070 115.700 0.096 0.000 2.381 109 S HA 0.626 5.096 4.470 -0.000 0.000 0.193 109 S C -1.344 173.317 174.600 0.103 0.000 1.287 109 S CA 0.121 58.396 58.200 0.125 0.000 1.199 109 S CB 1.697 65.026 63.200 0.216 0.000 1.214 109 S HN 0.244 nan 8.310 nan 0.000 0.444 110 P HA -0.130 nan 4.420 nan 0.000 0.216 110 P C 1.538 178.799 177.300 -0.066 0.000 1.150 110 P CA 0.804 63.896 63.100 -0.015 0.000 0.843 110 P CB 0.126 31.798 31.700 -0.046 0.000 0.787 111 R N -0.946 119.495 120.500 -0.099 0.000 2.083 111 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 111 R C 1.952 178.138 176.300 -0.191 0.000 1.137 111 R CA 1.740 57.710 56.100 -0.217 0.000 0.951 111 R CB -0.984 29.142 30.300 -0.288 0.000 0.851 111 R HN 0.102 nan 8.270 nan 0.000 0.434 112 F N 0.396 120.372 119.950 0.042 0.000 2.456 112 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 112 F C 2.546 178.451 175.800 0.174 0.000 1.104 112 F CA 0.866 58.948 58.000 0.138 0.000 1.435 112 F CB -0.102 38.942 39.000 0.073 0.000 1.078 112 F HN 0.184 nan 8.300 nan 0.000 0.546 113 Q N 0.590 120.519 119.800 0.215 0.000 2.079 113 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 113 Q C 2.068 178.116 176.000 0.081 0.000 0.974 113 Q CA 1.706 57.590 55.803 0.135 0.000 0.840 113 Q CB -0.574 28.213 28.738 0.082 0.000 0.898 113 Q HN 0.258 nan 8.270 nan 0.000 0.430 114 V N 0.702 120.639 119.914 0.039 0.000 2.453 114 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 114 V C 2.018 178.131 176.094 0.031 0.000 1.048 114 V CA 1.630 63.933 62.300 0.005 0.000 1.049 114 V CB -0.820 30.961 31.823 -0.069 0.000 0.672 114 V HN 0.437 nan 8.190 nan 0.000 0.457 115 F N 2.287 122.205 119.950 -0.053 0.000 2.102 115 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 115 F C 2.157 177.977 175.800 0.033 0.000 1.105 115 F CA 1.728 59.708 58.000 -0.033 0.000 1.239 115 F CB -0.939 37.999 39.000 -0.102 0.000 0.991 115 F HN 0.126 nan 8.300 nan 0.000 0.474 116 G N -0.030 108.706 108.800 -0.106 0.000 2.459 116 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 116 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 116 G C 1.841 176.619 174.900 -0.204 0.000 1.183 116 G CA 1.118 46.110 45.100 -0.180 0.000 0.776 116 G HN 0.658 nan 8.290 nan 0.000 0.552 117 A N 0.928 123.686 122.820 -0.104 0.000 1.902 117 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 117 A C 2.124 179.644 177.584 -0.107 0.000 1.181 117 A CA 2.186 54.176 52.037 -0.077 0.000 0.623 117 A CB -0.486 18.497 19.000 -0.030 0.000 0.818 117 A HN 0.290 nan 8.150 nan 0.000 0.443 118 D N 0.083 120.407 120.400 -0.127 0.000 2.097 118 D HA -0.063 4.577 4.640 -0.000 0.000 0.195 118 D C 2.256 178.454 176.300 -0.170 0.000 0.989 118 D CA 1.661 55.596 54.000 -0.109 0.000 0.827 118 D CB -0.478 40.285 40.800 -0.062 0.000 0.966 118 D HN 0.414 nan 8.370 nan 0.000 0.456 119 A N 0.541 123.154 122.820 -0.346 0.000 1.902 119 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 119 A C 2.146 179.616 177.584 -0.190 0.000 1.181 119 A CA 1.810 53.646 52.037 -0.335 0.000 0.623 119 A CB -0.570 18.041 19.000 -0.648 0.000 0.818 119 A HN 0.170 nan 8.150 nan 0.000 0.443 120 M N 0.075 119.569 119.600 -0.177 0.000 2.108 120 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 120 M C 1.855 178.114 176.300 -0.069 0.000 1.066 120 M CA 1.604 56.843 55.300 -0.101 0.000 1.107 120 M CB -0.469 32.082 32.600 -0.081 0.000 1.356 120 M HN 0.366 nan 8.290 nan 0.000 0.406 121 R N 0.080 120.540 120.500 -0.067 0.000 2.339 121 R HA 0.147 4.487 4.340 -0.000 0.000 0.199 121 R C 1.031 177.310 176.300 -0.035 0.000 1.018 121 R CA 0.337 56.412 56.100 -0.041 0.000 1.036 121 R CB -0.587 29.694 30.300 -0.032 0.000 0.899 121 R HN 0.489 nan 8.270 nan 0.000 0.473 122 G N 1.091 109.864 108.800 -0.046 0.000 2.557 122 G HA2 0.125 4.085 3.960 -0.000 0.000 0.292 122 G HA3 0.125 4.085 3.960 -0.000 0.000 0.292 122 G C -1.471 173.415 174.900 -0.023 0.000 1.237 122 G CA -1.049 44.032 45.100 -0.032 0.000 0.978 122 G HN -0.065 nan 8.290 nan 0.000 0.498 123 P HA -0.057 nan 4.420 nan 0.000 0.225 123 P C 1.116 178.411 177.300 -0.009 0.000 1.148 123 P CA 0.791 63.885 63.100 -0.009 0.000 0.779 123 P CB 0.346 32.044 31.700 -0.004 0.000 0.780 124 R N -0.825 119.668 120.500 -0.012 0.000 2.312 124 R HA 0.204 4.544 4.340 -0.000 0.000 0.205 124 R C 1.707 177.996 176.300 -0.017 0.000 0.904 124 R CA 0.489 56.583 56.100 -0.009 0.000 1.052 124 R CB -0.302 29.997 30.300 -0.001 0.000 1.014 124 R HN 0.159 nan 8.270 nan 0.000 0.503 125 G N 2.200 110.984 108.800 -0.028 0.000 2.672 125 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.324 125 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.324 125 G C 0.888 175.765 174.900 -0.038 0.000 1.286 125 G CA 0.646 45.725 45.100 -0.035 0.000 1.004 125 G HN 0.230 nan 8.290 nan 0.000 0.548 126 L N 0.491 121.697 121.223 -0.029 0.000 2.081 126 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 126 L C 3.027 179.885 176.870 -0.019 0.000 1.080 126 L CA 2.311 57.135 54.840 -0.026 0.000 0.754 126 L CB -0.491 41.555 42.059 -0.022 0.000 0.893 126 L HN 0.536 nan 8.230 nan 0.000 0.433 127 K N -0.164 120.228 120.400 -0.013 0.000 2.147 127 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 127 K C 2.177 178.787 176.600 0.017 0.000 1.049 127 K CA 1.285 57.571 56.287 -0.001 0.000 0.936 127 K CB -0.198 32.303 32.500 0.001 0.000 0.722 127 K HN 0.319 nan 8.250 nan 0.000 0.446 128 A N 0.859 123.682 122.820 0.006 0.000 1.970 128 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 128 A C 2.312 179.918 177.584 0.038 0.000 1.170 128 A CA 0.742 52.793 52.037 0.023 0.000 0.645 128 A CB -0.304 18.681 19.000 -0.024 0.000 0.816 128 A HN 0.031 nan 8.150 nan 0.000 0.447 129 V N -0.410 119.489 119.914 -0.024 0.000 2.261 129 V HA 0.181 4.301 4.120 -0.000 0.000 0.246 129 V C 1.606 177.798 176.094 0.163 0.000 1.047 129 V CA 1.335 63.630 62.300 -0.008 0.000 1.015 129 V CB -1.818 29.983 31.823 -0.038 0.000 0.642 129 V HN 1.257 nan 8.190 nan 0.000 0.446 130 G N 0.328 109.170 108.800 0.070 0.000 2.746 130 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.685 130 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.685 130 G C -1.901 172.949 174.900 -0.085 0.000 1.350 130 G CA -0.099 45.013 45.100 0.021 0.000 0.837 130 G HN 0.314 nan 8.290 nan 0.000 0.564 131 P HA 0.268 nan 4.420 nan 0.000 0.263 131 P C 0.016 177.032 177.300 -0.473 0.000 1.448 131 P CA 0.466 63.328 63.100 -0.396 0.000 0.983 131 P CB -0.004 31.409 31.700 -0.478 0.000 1.481 132 Y N -1.549 118.716 120.300 -0.058 0.000 2.481 132 Y HA 0.117 4.667 4.550 -0.000 0.000 0.247 132 Y C 2.191 178.043 175.900 -0.081 0.000 1.151 132 Y CA -0.177 57.841 58.100 -0.136 0.000 1.238 132 Y CB -0.276 37.986 38.460 -0.331 0.000 1.179 132 Y HN -0.271 nan 8.280 nan 0.000 0.524 133 V N -1.234 118.754 119.914 0.124 0.000 2.515 133 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 133 V C 2.092 178.247 176.094 0.101 0.000 1.058 133 V CA 1.494 63.879 62.300 0.141 0.000 1.064 133 V CB -0.711 31.259 31.823 0.245 0.000 0.675 133 V HN 0.216 nan 8.190 nan 0.000 0.461 134 V N 1.290 121.261 119.914 0.095 0.000 2.255 134 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 134 V C 2.834 178.978 176.094 0.082 0.000 1.051 134 V CA 2.697 65.047 62.300 0.085 0.000 1.018 134 V CB -1.351 30.517 31.823 0.075 0.000 0.641 134 V HN 0.812 nan 8.190 nan 0.000 0.445 135 T N -1.896 112.725 114.554 0.111 0.000 2.962 135 T HA -0.172 4.178 4.350 -0.000 0.000 0.270 135 T C 1.718 176.439 174.700 0.035 0.000 1.088 135 T CA 1.290 63.451 62.100 0.102 0.000 1.127 135 T CB -0.266 68.726 68.868 0.206 0.000 0.883 135 T HN 0.486 nan 8.240 nan 0.000 0.493 136 K N 1.074 121.454 120.400 -0.033 0.000 2.137 136 K HA 0.339 4.659 4.320 -0.000 0.000 0.202 136 K C 2.574 179.168 176.600 -0.011 0.000 1.052 136 K CA 0.948 57.143 56.287 -0.153 0.000 0.961 136 K CB -0.107 32.063 32.500 -0.551 0.000 0.741 136 K HN 0.424 nan 8.250 nan 0.000 0.452 137 A N 1.714 124.570 122.820 0.061 0.000 2.095 137 A HA 0.114 4.434 4.320 -0.000 0.000 0.212 137 A C 1.150 178.782 177.584 0.080 0.000 1.162 137 A CA -0.218 51.884 52.037 0.108 0.000 0.753 137 A CB -0.332 18.756 19.000 0.146 0.000 0.840 137 A HN 0.290 nan 8.150 nan 0.000 0.468 138 M N -1.505 118.134 119.600 0.066 0.000 2.252 138 M HA 0.456 4.936 4.480 -0.000 0.000 0.333 138 M C 0.993 177.328 176.300 0.058 0.000 1.111 138 M CA 0.439 55.774 55.300 0.059 0.000 1.140 138 M CB 0.416 33.048 32.600 0.054 0.000 1.538 138 M HN 0.061 nan 8.290 nan 0.000 0.448 139 A N 2.204 125.058 122.820 0.057 0.000 1.978 139 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 139 A C 2.136 179.757 177.584 0.062 0.000 1.170 139 A CA 2.117 54.190 52.037 0.059 0.000 0.636 139 A CB -1.048 17.985 19.000 0.055 0.000 0.810 139 A HN 1.028 nan 8.150 nan 0.000 0.448 140 S N -0.710 115.027 115.700 0.062 0.000 2.603 140 S HA 0.233 4.703 4.470 -0.000 0.000 0.220 140 S C 1.758 176.396 174.600 0.064 0.000 0.967 140 S CA 0.697 58.939 58.200 0.070 0.000 0.920 140 S CB -0.602 62.642 63.200 0.074 0.000 0.773 140 S HN 0.661 nan 8.310 nan 0.000 0.529 141 G N 2.483 111.317 108.800 0.056 0.000 2.574 141 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 141 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 141 G C 1.348 176.279 174.900 0.052 0.000 1.173 141 G CA 1.407 46.534 45.100 0.046 0.000 0.772 141 G HN 0.489 nan 8.290 nan 0.000 0.585 142 V N 1.726 121.675 119.914 0.058 0.000 2.324 142 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 142 V C 3.271 179.409 176.094 0.073 0.000 1.060 142 V CA 2.635 64.975 62.300 0.067 0.000 1.042 142 V CB -0.599 31.262 31.823 0.063 0.000 0.650 142 V HN 0.670 nan 8.190 nan 0.000 0.450 143 S N 0.630 116.371 115.700 0.068 0.000 2.362 143 S HA -0.027 4.443 4.470 -0.000 0.000 0.221 143 S C 2.154 176.793 174.600 0.064 0.000 1.032 143 S CA 1.021 59.258 58.200 0.062 0.000 0.973 143 S CB -0.518 62.722 63.200 0.067 0.000 0.849 143 S HN 0.549 nan 8.310 nan 0.000 0.465 144 A N 1.045 123.900 122.820 0.059 0.000 1.883 144 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 144 A C 2.396 180.004 177.584 0.039 0.000 1.186 144 A CA 1.659 53.721 52.037 0.041 0.000 0.624 144 A CB -1.556 17.462 19.000 0.029 0.000 0.822 144 A HN 0.694 nan 8.150 nan 0.000 0.444 145 C N -1.278 118.055 119.300 0.056 0.000 2.472 145 C HA 0.137 4.597 4.460 -0.000 0.000 0.278 145 C C 2.298 177.396 174.990 0.178 0.000 1.447 145 C CA 0.747 59.806 59.018 0.068 0.000 1.773 145 C CB -1.326 26.447 27.740 0.054 0.000 1.793 145 C HN 0.535 nan 8.230 nan 0.000 0.544 146 L N 0.307 121.656 121.223 0.210 0.000 2.349 146 L HA 0.263 4.603 4.340 -0.000 0.000 0.200 146 L C 2.644 179.702 176.870 0.314 0.000 1.064 146 L CA 1.592 56.645 54.840 0.354 0.000 0.821 146 L CB -1.221 40.966 42.059 0.214 0.000 1.027 146 L HN 0.140 nan 8.230 nan 0.000 0.476 147 A N -0.754 122.160 122.820 0.157 0.000 1.908 147 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 147 A C 2.305 179.967 177.584 0.130 0.000 1.181 147 A CA 2.512 54.624 52.037 0.126 0.000 0.627 147 A CB -1.049 17.995 19.000 0.073 0.000 0.818 147 A HN 0.421 nan 8.150 nan 0.000 0.445 148 T N 0.448 115.052 114.554 0.083 0.000 2.643 148 T HA -0.080 4.270 4.350 -0.000 0.000 0.264 148 T C -0.010 174.701 174.700 0.018 0.000 1.045 148 T CA 1.724 63.842 62.100 0.029 0.000 1.155 148 T CB -1.103 67.736 68.868 -0.048 0.000 0.863 148 T HN 0.541 nan 8.240 nan 0.000 0.420 149 P HA 0.026 nan 4.420 nan 0.000 0.221 149 P C 0.821 178.021 177.300 -0.166 0.000 1.150 149 P CA 0.986 64.032 63.100 -0.089 0.000 0.800 149 P CB -0.249 31.405 31.700 -0.077 0.000 0.787 150 F N 0.643 120.616 119.950 0.039 0.000 2.773 150 F HA 0.191 4.718 4.527 -0.000 0.000 0.304 150 F C 0.963 176.787 175.800 0.040 0.000 1.129 150 F CA 0.029 58.044 58.000 0.026 0.000 1.378 150 F CB -0.419 38.520 39.000 -0.101 0.000 1.095 150 F HN -0.208 nan 8.300 nan 0.000 0.565 151 K N 0.794 121.267 120.400 0.122 0.000 3.077 151 K HA -0.223 4.097 4.320 -0.000 0.000 0.264 151 K C -0.252 176.369 176.600 0.035 0.000 1.008 151 K CA 0.233 56.544 56.287 0.041 0.000 0.740 151 K CB -2.134 30.323 32.500 -0.071 0.000 1.273 151 K HN 0.348 nan 8.250 nan 0.000 0.477 152 I N 0.695 121.351 120.570 0.144 0.000 2.496 152 I HA -0.008 4.162 4.170 -0.000 0.000 0.285 152 I C 1.767 178.036 176.117 0.254 0.000 1.080 152 I CA 0.028 61.425 61.300 0.161 0.000 1.404 152 I CB 0.525 38.613 38.000 0.146 0.000 1.403 152 I HN 0.253 nan 8.210 nan 0.000 0.539 153 H N 3.621 122.726 119.070 0.057 0.000 2.750 153 H HA 0.156 4.712 4.556 -0.000 0.000 0.263 153 H C 1.408 176.748 175.328 0.020 0.000 0.964 153 H CA -0.057 56.010 56.048 0.031 0.000 1.205 153 H CB 0.972 30.750 29.762 0.026 0.000 1.454 153 H HN 0.808 nan 8.280 nan 0.000 0.503 154 G N 0.806 109.688 108.800 0.137 0.000 2.735 154 G HA2 0.105 4.065 3.960 -0.000 0.000 0.192 154 G HA3 0.105 4.065 3.960 -0.000 0.000 0.192 154 G C -0.087 174.816 174.900 0.005 0.000 1.547 154 G CA -0.337 44.796 45.100 0.055 0.000 1.080 154 G HN 0.086 nan 8.290 nan 0.000 0.569 155 V N 0.919 120.801 119.914 -0.053 0.000 2.872 155 V HA 0.382 4.502 4.120 -0.000 0.000 0.307 155 V C -0.338 175.626 176.094 -0.217 0.000 1.072 155 V CA 0.221 62.430 62.300 -0.151 0.000 1.148 155 V CB 1.237 32.912 31.823 -0.247 0.000 0.954 155 V HN 0.835 nan 8.190 nan 0.000 0.490 156 N N 4.925 123.456 118.700 -0.280 0.000 2.699 156 N HA 0.435 5.175 4.740 -0.000 0.000 0.271 156 N C -1.300 174.157 175.510 -0.089 0.000 1.216 156 N CA -0.383 52.554 53.050 -0.188 0.000 0.844 156 N CB 0.983 39.452 38.487 -0.029 0.000 1.462 156 N HN 0.737 nan 8.380 nan 0.000 0.555 157 Y N -1.210 119.109 120.300 0.031 0.000 2.814 157 Y HA 0.645 5.195 4.550 -0.000 0.000 0.348 157 Y C -1.307 174.610 175.900 0.027 0.000 1.245 157 Y CA -1.230 56.885 58.100 0.027 0.000 1.086 157 Y CB 0.364 38.836 38.460 0.021 0.000 1.373 157 Y HN 0.126 nan 8.280 nan 0.000 0.451 158 S N 1.245 117.149 115.700 0.340 0.000 2.578 158 S HA 0.728 5.198 4.470 -0.000 0.000 0.301 158 S C -0.919 173.803 174.600 0.203 0.000 1.091 158 S CA -0.769 57.564 58.200 0.223 0.000 1.032 158 S CB 1.362 64.639 63.200 0.129 0.000 1.064 158 S HN 0.504 nan 8.310 nan 0.000 0.508 159 I N 1.737 122.405 120.570 0.163 0.000 2.433 159 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 159 I C -0.207 175.966 176.117 0.094 0.000 1.001 159 I CA -0.290 61.074 61.300 0.107 0.000 1.119 159 I CB 1.984 40.063 38.000 0.132 0.000 1.289 159 I HN 0.467 nan 8.210 nan 0.000 0.438 160 S N 3.336 119.077 115.700 0.068 0.000 2.532 160 S HA 0.621 5.091 4.470 -0.000 0.000 0.299 160 S C -0.307 174.343 174.600 0.084 0.000 1.105 160 S CA -0.416 57.831 58.200 0.079 0.000 1.018 160 S CB 1.075 64.314 63.200 0.066 0.000 1.021 160 S HN 0.672 nan 8.310 nan 0.000 0.483 161 S N 2.864 118.638 115.700 0.124 0.000 2.646 161 S HA 0.625 5.095 4.470 -0.000 0.000 0.217 161 S C 0.538 175.225 174.600 0.146 0.000 0.836 161 S CA 0.006 58.297 58.200 0.152 0.000 1.094 161 S CB -0.203 63.158 63.200 0.269 0.000 1.557 161 S HN 1.898 nan 8.310 nan 0.000 0.449 162 A N 0.614 123.501 122.820 0.112 0.000 5.382 162 A HA -0.317 4.003 4.320 -0.000 0.000 0.307 162 A C 1.511 179.127 177.584 0.054 0.000 1.937 162 A CA 1.044 53.130 52.037 0.082 0.000 0.715 162 A CB -2.068 16.980 19.000 0.080 0.000 1.293 162 A HN 1.422 nan 8.150 nan 0.000 0.374 163 C N 0.477 119.796 119.300 0.032 0.000 2.525 163 C HA 0.446 4.906 4.460 -0.000 0.000 0.279 163 C C 2.354 177.384 174.990 0.067 0.000 1.437 163 C CA 0.923 59.996 59.018 0.092 0.000 1.704 163 C CB -1.858 26.038 27.740 0.260 0.000 1.672 163 C HN 1.360 nan 8.230 nan 0.000 0.582 164 A N -0.545 122.298 122.820 0.037 0.000 2.431 164 A HA 0.168 4.488 4.320 -0.000 0.000 0.239 164 A C 1.821 179.410 177.584 0.009 0.000 1.230 164 A CA 0.522 52.532 52.037 -0.044 0.000 0.928 164 A CB -0.468 18.497 19.000 -0.058 0.000 1.006 164 A HN 0.397 nan 8.150 nan 0.000 0.520 165 T N 1.598 116.200 114.554 0.079 0.000 2.531 165 T HA -0.272 4.078 4.350 -0.000 0.000 0.261 165 T C 2.266 177.003 174.700 0.062 0.000 1.141 165 T CA 2.785 64.946 62.100 0.101 0.000 1.176 165 T CB -0.546 68.360 68.868 0.064 0.000 0.863 165 T HN 0.824 nan 8.240 nan 0.000 0.424 166 S N 1.539 117.238 115.700 -0.002 0.000 2.474 166 S HA 0.147 4.617 4.470 -0.000 0.000 0.235 166 S C 2.217 176.780 174.600 -0.063 0.000 0.997 166 S CA 0.818 59.000 58.200 -0.030 0.000 0.949 166 S CB -0.435 62.729 63.200 -0.061 0.000 0.766 166 S HN 0.567 nan 8.310 nan 0.000 0.517 167 A N 1.595 124.359 122.820 -0.093 0.000 1.898 167 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 167 A C 1.909 179.419 177.584 -0.123 0.000 1.183 167 A CA 1.183 53.132 52.037 -0.147 0.000 0.622 167 A CB -0.918 17.950 19.000 -0.221 0.000 0.824 167 A HN 0.679 nan 8.150 nan 0.000 0.444 168 H N -1.690 117.392 119.070 0.020 0.000 2.428 168 H HA -0.092 4.464 4.556 -0.000 0.000 0.296 168 H C 2.159 177.465 175.328 -0.036 0.000 1.062 168 H CA 1.191 57.271 56.048 0.054 0.000 1.350 168 H CB -0.126 29.699 29.762 0.105 0.000 1.403 168 H HN 0.528 nan 8.280 nan 0.000 0.533 169 C N 0.306 119.656 119.300 0.083 0.000 2.432 169 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 169 C C 2.675 177.627 174.990 -0.064 0.000 1.249 169 C CA 0.842 59.880 59.018 0.033 0.000 1.725 169 C CB -0.812 26.943 27.740 0.025 0.000 2.028 169 C HN 0.527 nan 8.230 nan 0.000 0.477 170 I N 1.074 121.571 120.570 -0.122 0.000 2.179 170 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 170 I C 2.752 178.673 176.117 -0.327 0.000 1.088 170 I CA 1.863 63.050 61.300 -0.188 0.000 1.357 170 I CB -1.003 36.890 38.000 -0.179 0.000 1.051 170 I HN 0.449 nan 8.210 nan 0.000 0.409 171 G N 0.684 109.140 108.800 -0.573 0.000 2.442 171 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 171 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 171 G C 1.472 175.934 174.900 -0.731 0.000 1.141 171 G CA 0.763 45.037 45.100 -1.376 0.000 0.763 171 G HN 0.350 nan 8.290 nan 0.000 0.554 172 N N 0.900 119.427 118.700 -0.288 0.000 2.270 172 N HA -0.050 4.690 4.740 -0.000 0.000 0.181 172 N C 2.581 178.062 175.510 -0.048 0.000 1.016 172 N CA 0.965 53.993 53.050 -0.038 0.000 0.870 172 N CB -0.121 38.424 38.487 0.096 0.000 0.979 172 N HN 0.321 nan 8.380 nan 0.000 0.431 173 A N 0.900 123.657 122.820 -0.104 0.000 1.933 173 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 173 A C 2.487 180.006 177.584 -0.109 0.000 1.175 173 A CA 0.999 52.972 52.037 -0.106 0.000 0.628 173 A CB -0.644 18.277 19.000 -0.132 0.000 0.814 173 A HN 0.081 nan 8.150 nan 0.000 0.444 174 V N 0.136 119.965 119.914 -0.141 0.000 2.343 174 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 174 V C 2.389 178.457 176.094 -0.042 0.000 1.051 174 V CA 2.314 64.552 62.300 -0.102 0.000 1.036 174 V CB -0.820 30.928 31.823 -0.126 0.000 0.654 174 V HN 0.643 nan 8.190 nan 0.000 0.451 175 E N -0.605 119.585 120.200 -0.018 0.000 2.110 175 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 175 E C 2.388 179.001 176.600 0.021 0.000 0.988 175 E CA 0.980 57.403 56.400 0.038 0.000 0.804 175 E CB -0.126 29.627 29.700 0.088 0.000 0.745 175 E HN 0.539 nan 8.360 nan 0.000 0.458 176 Q N 0.207 120.010 119.800 0.004 0.000 2.124 176 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 176 Q C 2.229 178.216 176.000 -0.021 0.000 0.977 176 Q CA 1.047 56.848 55.803 -0.003 0.000 0.850 176 Q CB -0.062 28.662 28.738 -0.023 0.000 0.901 176 Q HN 0.429 nan 8.270 nan 0.000 0.429 177 I N 0.441 120.987 120.570 -0.039 0.000 2.333 177 I HA -0.252 3.918 4.170 -0.000 0.000 0.246 177 I C 2.301 178.405 176.117 -0.021 0.000 1.106 177 I CA 0.846 62.118 61.300 -0.046 0.000 1.411 177 I CB -0.239 37.720 38.000 -0.068 0.000 1.082 177 I HN 0.200 nan 8.210 nan 0.000 0.420 178 Q N 0.640 120.436 119.800 -0.007 0.000 2.170 178 Q HA -0.149 4.191 4.340 -0.000 0.000 0.203 178 Q C 2.195 178.201 176.000 0.010 0.000 0.976 178 Q CA 1.241 57.048 55.803 0.008 0.000 0.858 178 Q CB -0.093 28.660 28.738 0.024 0.000 0.907 178 Q HN 0.532 nan 8.270 nan 0.000 0.433 179 L N -0.645 120.585 121.223 0.011 0.000 2.552 179 L HA 0.026 4.366 4.340 -0.000 0.000 0.227 179 L C 1.238 178.113 176.870 0.008 0.000 1.146 179 L CA 0.513 55.361 54.840 0.014 0.000 0.858 179 L CB -0.233 41.838 42.059 0.020 0.000 0.969 179 L HN 0.462 nan 8.230 nan 0.000 0.451 180 G N -0.009 108.791 108.800 -0.000 0.000 2.162 180 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 180 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 180 G C 1.018 175.914 174.900 -0.006 0.000 0.976 180 G CA 0.611 45.709 45.100 -0.003 0.000 0.655 180 G HN 0.388 nan 8.290 nan 0.000 0.533 181 K N -0.759 119.637 120.400 -0.006 0.000 2.243 181 K HA 0.098 4.418 4.320 -0.000 0.000 0.201 181 K C 0.970 177.557 176.600 -0.021 0.000 1.051 181 K CA 0.841 57.125 56.287 -0.005 0.000 0.970 181 K CB 0.053 32.556 32.500 0.005 0.000 0.755 181 K HN 0.439 nan 8.250 nan 0.000 0.465 182 Q N -0.372 119.402 119.800 -0.042 0.000 2.421 182 Q HA 0.147 4.487 4.340 -0.000 0.000 0.280 182 Q C -0.528 175.403 176.000 -0.115 0.000 1.085 182 Q CA -0.374 55.386 55.803 -0.073 0.000 0.807 182 Q CB 1.994 30.681 28.738 -0.084 0.000 1.405 182 Q HN -0.050 nan 8.270 nan 0.000 0.419 183 D N 0.202 120.495 120.400 -0.179 0.000 2.324 183 D HA 0.282 4.922 4.640 -0.000 0.000 0.212 183 D C 0.271 176.346 176.300 -0.375 0.000 0.984 183 D CA 0.788 54.604 54.000 -0.307 0.000 0.885 183 D CB 1.363 41.857 40.800 -0.510 0.000 0.996 183 D HN 0.359 nan 8.370 nan 0.000 0.505 184 I N 0.668 121.041 120.570 -0.329 0.000 2.656 184 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 184 I C -1.226 174.687 176.117 -0.340 0.000 1.144 184 I CA -0.795 60.283 61.300 -0.370 0.000 1.038 184 I CB 3.356 41.099 38.000 -0.428 0.000 1.244 184 I HN -0.413 nan 8.210 nan 0.000 0.420 185 V N 5.622 125.299 119.914 -0.394 0.000 2.569 185 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 185 V C -0.779 175.078 176.094 -0.396 0.000 1.044 185 V CA -0.599 61.520 62.300 -0.302 0.000 0.874 185 V CB 1.818 33.528 31.823 -0.188 0.000 1.002 185 V HN 0.379 nan 8.190 nan 0.000 0.424 186 F N 3.391 123.236 119.950 -0.175 0.000 2.438 186 F HA 0.696 5.223 4.527 0.000 0.000 0.356 186 F C 0.733 176.431 175.800 -0.171 0.000 1.099 186 F CA 0.031 57.909 58.000 -0.203 0.000 1.185 186 F CB 1.179 40.012 39.000 -0.278 0.000 1.115 186 F HN 0.587 nan 8.300 nan 0.000 0.526 187 A N 2.408 125.209 122.820 -0.031 0.000 2.414 187 A HA 0.946 5.266 4.320 -0.000 0.000 0.306 187 A C -0.004 177.546 177.584 -0.056 0.000 1.054 187 A CA 0.083 52.088 52.037 -0.054 0.000 0.724 187 A CB 1.537 20.480 19.000 -0.094 0.000 1.267 187 A HN 1.058 nan 8.150 nan 0.000 0.418 188 G N -0.360 108.413 108.800 -0.045 0.000 2.564 188 G HA2 0.708 4.668 3.960 -0.000 0.000 0.139 188 G HA3 0.708 4.668 3.960 -0.000 0.000 0.139 188 G C -0.010 174.874 174.900 -0.026 0.000 1.147 188 G CA 0.553 45.622 45.100 -0.052 0.000 1.031 188 G HN 2.488 nan 8.290 nan 0.000 0.482 189 G N -2.096 106.691 108.800 -0.022 0.000 2.321 189 G HA2 0.788 4.748 3.960 -0.000 0.000 0.296 189 G HA3 0.788 4.748 3.960 -0.000 0.000 0.296 189 G C -0.456 174.456 174.900 0.020 0.000 1.287 189 G CA 0.836 45.939 45.100 0.006 0.000 0.846 189 G HN 2.220 nan 8.290 nan 0.000 0.508 190 G N -1.315 107.512 108.800 0.045 0.000 2.623 190 G HA2 0.690 4.650 3.960 -0.000 0.000 0.290 190 G HA3 0.690 4.650 3.960 -0.000 0.000 0.290 190 G C -1.995 172.960 174.900 0.092 0.000 1.437 190 G CA -0.182 44.973 45.100 0.092 0.000 0.798 190 G HN 0.760 nan 8.290 nan 0.000 0.488 191 E N -0.278 120.008 120.200 0.144 0.000 2.321 191 E HA 0.369 4.719 4.350 -0.000 0.000 0.281 191 E C -0.203 176.514 176.600 0.196 0.000 0.910 191 E CA -0.670 55.799 56.400 0.114 0.000 0.770 191 E CB 1.516 31.239 29.700 0.039 0.000 1.225 191 E HN 0.713 nan 8.360 nan 0.000 0.417 192 E N 2.925 123.209 120.200 0.139 0.000 2.369 192 E HA 0.416 4.766 4.350 -0.000 0.000 0.255 192 E C -0.738 175.926 176.600 0.108 0.000 1.172 192 E CA -0.824 55.660 56.400 0.140 0.000 0.932 192 E CB 1.143 30.872 29.700 0.048 0.000 1.040 192 E HN 0.246 nan 8.360 nan 0.000 0.454 193 L N 1.918 123.179 121.223 0.064 0.000 2.376 193 L HA 0.476 4.816 4.340 -0.000 0.000 0.275 193 L C -1.369 175.528 176.870 0.045 0.000 0.987 193 L CA -0.295 54.538 54.840 -0.011 0.000 0.828 193 L CB 1.022 42.920 42.059 -0.269 0.000 1.249 193 L HN 0.950 nan 8.230 nan 0.000 0.409 194 C N 2.002 121.403 119.300 0.168 0.000 3.307 194 C HA 0.421 4.881 4.460 -0.000 0.000 0.333 194 C C 1.052 176.163 174.990 0.203 0.000 1.291 194 C CA -0.939 58.193 59.018 0.191 0.000 1.273 194 C CB 0.571 28.288 27.740 -0.039 0.000 1.580 194 C HN 1.064 nan 8.230 nan 0.000 0.481 195 W N 0.990 122.413 121.300 0.206 0.000 2.374 195 W HA 0.000 4.660 4.660 -0.000 0.000 0.288 195 W C 1.059 177.652 176.519 0.122 0.000 1.218 195 W CA 1.913 59.340 57.345 0.138 0.000 1.245 195 W CB -1.152 28.345 29.460 0.063 0.000 1.126 195 W HN 0.882 nan 8.180 nan 0.000 0.545 196 E N 0.821 120.373 120.200 -1.079 0.000 2.147 196 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 196 E C 2.306 178.735 176.600 -0.286 0.000 1.005 196 E CA 2.893 58.690 56.400 -1.005 0.000 0.810 196 E CB -0.669 28.501 29.700 -0.883 0.000 0.736 196 E HN 0.445 nan 8.360 nan 0.000 0.460 197 M N -0.955 118.588 119.600 -0.095 0.000 2.552 197 M HA 0.173 4.653 4.480 -0.000 0.000 0.264 197 M C 2.020 178.478 176.300 0.262 0.000 1.159 197 M CA 1.050 56.401 55.300 0.086 0.000 1.176 197 M CB 0.222 32.907 32.600 0.141 0.000 1.327 197 M HN 0.130 nan 8.290 nan 0.000 0.481 198 A N 0.548 123.548 122.820 0.300 0.000 1.933 198 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 198 A C 2.320 180.110 177.584 0.344 0.000 1.175 198 A CA 1.694 53.966 52.037 0.393 0.000 0.628 198 A CB -1.707 17.491 19.000 0.330 0.000 0.814 198 A HN 0.875 nan 8.150 nan 0.000 0.444 199 C N -0.858 118.614 119.300 0.286 0.000 2.410 199 C HA -0.048 4.412 4.460 -0.000 0.000 0.281 199 C C 2.139 177.234 174.990 0.174 0.000 1.318 199 C CA 1.196 60.362 59.018 0.247 0.000 1.776 199 C CB -1.428 26.504 27.740 0.319 0.000 1.942 199 C HN 0.573 nan 8.230 nan 0.000 0.508 200 E N 0.599 120.870 120.200 0.117 0.000 2.150 200 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 200 E C 1.707 178.284 176.600 -0.038 0.000 0.985 200 E CA 1.240 57.632 56.400 -0.013 0.000 0.814 200 E CB -0.401 29.210 29.700 -0.149 0.000 0.752 200 E HN 0.779 nan 8.360 nan 0.000 0.466 201 F N 0.389 120.437 119.950 0.163 0.000 2.234 201 F HA -0.051 4.476 4.527 -0.000 0.000 0.296 201 F C 2.081 177.940 175.800 0.098 0.000 1.089 201 F CA 0.969 59.078 58.000 0.181 0.000 1.343 201 F CB -0.136 38.980 39.000 0.193 0.000 1.040 201 F HN 0.001 nan 8.300 nan 0.000 0.498 202 D N 0.260 120.803 120.400 0.239 0.000 2.144 202 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 202 D C 2.257 178.624 176.300 0.112 0.000 0.978 202 D CA 1.186 55.266 54.000 0.135 0.000 0.833 202 D CB -0.216 40.654 40.800 0.117 0.000 0.961 202 D HN 0.141 nan 8.370 nan 0.000 0.470 203 A N 0.710 123.595 122.820 0.108 0.000 2.076 203 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 203 A C 2.158 179.785 177.584 0.072 0.000 1.160 203 A CA 1.771 53.854 52.037 0.077 0.000 0.653 203 A CB -0.761 18.276 19.000 0.063 0.000 0.801 203 A HN 0.527 nan 8.150 nan 0.000 0.455 204 M N -3.097 116.563 119.600 0.100 0.000 2.419 204 M HA 0.463 4.943 4.480 -0.000 0.000 0.252 204 M C 0.977 177.346 176.300 0.116 0.000 1.143 204 M CA 0.543 55.902 55.300 0.098 0.000 0.985 204 M CB -0.026 32.640 32.600 0.110 0.000 1.489 204 M HN 0.561 nan 8.290 nan 0.000 0.484 205 G N 1.211 110.076 108.800 0.108 0.000 2.249 205 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.273 205 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.273 205 G C 0.695 175.664 174.900 0.115 0.000 1.036 205 G CA 0.426 45.580 45.100 0.089 0.000 0.824 205 G HN 0.789 nan 8.290 nan 0.000 0.504 206 A N -1.087 121.835 122.820 0.169 0.000 2.147 206 A HA 0.653 4.973 4.320 -0.000 0.000 0.211 206 A C 1.238 178.791 177.584 -0.052 0.000 1.160 206 A CA 0.585 52.752 52.037 0.217 0.000 0.781 206 A CB 0.212 19.533 19.000 0.535 0.000 0.842 206 A HN 0.623 nan 8.150 nan 0.000 0.475 207 L N 0.059 121.184 121.223 -0.164 0.000 2.343 207 L HA 0.357 4.696 4.340 -0.000 0.000 0.275 207 L C 0.741 177.536 176.870 -0.125 0.000 1.056 207 L CA -0.584 54.056 54.840 -0.334 0.000 0.804 207 L CB 1.560 43.449 42.059 -0.284 0.000 1.203 207 L HN 0.155 nan 8.230 nan 0.000 0.440 208 S N 0.171 115.812 115.700 -0.098 0.000 2.549 208 S HA 0.140 4.610 4.470 -0.000 0.000 0.283 208 S C 0.756 175.361 174.600 0.009 0.000 1.320 208 S CA 0.224 58.440 58.200 0.026 0.000 1.058 208 S CB 0.437 63.689 63.200 0.088 0.000 0.882 208 S HN 0.838 nan 8.310 nan 0.000 0.498 209 T N 1.266 115.826 114.554 0.010 0.000 3.080 209 T HA 0.334 4.684 4.350 -0.000 0.000 0.280 209 T C 0.790 175.422 174.700 -0.113 0.000 0.926 209 T CA -0.444 61.613 62.100 -0.073 0.000 0.883 209 T CB -0.126 68.690 68.868 -0.086 0.000 1.194 209 T HN 0.590 nan 8.240 nan 0.000 0.541 210 K N 0.364 120.687 120.400 -0.127 0.000 2.404 210 K HA 0.255 4.575 4.320 -0.000 0.000 0.194 210 K C -0.458 175.798 176.600 -0.574 0.000 1.023 210 K CA 0.232 56.300 56.287 -0.364 0.000 1.094 210 K CB 0.149 32.354 32.500 -0.492 0.000 0.841 210 K HN 0.477 nan 8.250 nan 0.000 0.523 211 Y N -0.360 119.932 120.300 -0.014 0.000 2.698 211 Y HA 0.209 4.759 4.550 -0.000 0.000 0.261 211 Y C 0.736 176.649 175.900 0.020 0.000 1.104 211 Y CA -0.676 57.427 58.100 0.005 0.000 1.145 211 Y CB 0.146 38.616 38.460 0.017 0.000 1.191 211 Y HN 0.001 nan 8.280 nan 0.000 0.564 212 N N 0.525 119.279 118.700 0.090 0.000 2.381 212 N HA -0.146 4.594 4.740 -0.000 0.000 0.182 212 N C 0.956 176.562 175.510 0.159 0.000 1.025 212 N CA 1.222 54.356 53.050 0.140 0.000 0.888 212 N CB 0.119 38.650 38.487 0.073 0.000 0.965 212 N HN 0.498 nan 8.380 nan 0.000 0.438 213 D N -0.012 120.438 120.400 0.083 0.000 2.277 213 D HA -0.026 4.614 4.640 -0.000 0.000 0.208 213 D C 0.440 176.775 176.300 0.058 0.000 0.962 213 D CA 0.897 54.919 54.000 0.037 0.000 0.865 213 D CB 0.239 41.043 40.800 0.007 0.000 0.939 213 D HN 0.313 nan 8.370 nan 0.000 0.510 214 T N -1.807 112.813 114.554 0.111 0.000 3.504 214 T HA 0.323 4.673 4.350 -0.000 0.000 0.286 214 T C -2.306 172.470 174.700 0.127 0.000 1.530 214 T CA -1.668 60.497 62.100 0.108 0.000 1.652 214 T CB 1.774 70.713 68.868 0.118 0.000 0.895 214 T HN -0.287 nan 8.240 nan 0.000 0.674 215 P HA -0.202 nan 4.420 nan 0.000 0.217 215 P C 1.350 178.704 177.300 0.089 0.000 1.158 215 P CA 1.445 64.628 63.100 0.138 0.000 0.887 215 P CB 0.098 31.901 31.700 0.171 0.000 0.792 216 E N -0.753 119.487 120.200 0.066 0.000 2.472 216 E HA -0.128 4.222 4.350 -0.000 0.000 0.200 216 E C 1.302 177.898 176.600 -0.007 0.000 1.046 216 E CA 0.705 57.125 56.400 0.033 0.000 0.871 216 E CB -0.285 29.432 29.700 0.028 0.000 0.806 216 E HN 0.436 nan 8.360 nan 0.000 0.533 217 K N -0.207 120.179 120.400 -0.023 0.000 2.355 217 K HA 0.215 4.535 4.320 -0.000 0.000 0.198 217 K C 1.808 178.229 176.600 -0.298 0.000 1.039 217 K CA 0.272 56.485 56.287 -0.123 0.000 1.075 217 K CB 0.672 33.118 32.500 -0.089 0.000 0.870 217 K HN -0.022 nan 8.250 nan 0.000 0.540 218 A N 1.339 124.066 122.820 -0.154 0.000 1.865 218 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 218 A C 1.415 178.893 177.584 -0.177 0.000 1.191 218 A CA 1.308 53.252 52.037 -0.155 0.000 0.623 218 A CB -0.247 18.788 19.000 0.059 0.000 0.826 218 A HN 0.170 nan 8.150 nan 0.000 0.444 219 S N 0.636 116.283 115.700 -0.088 0.000 2.422 219 S HA 0.405 4.875 4.470 -0.000 0.000 0.283 219 S C 0.285 174.823 174.600 -0.103 0.000 1.163 219 S CA -0.584 57.579 58.200 -0.061 0.000 1.054 219 S CB -0.178 63.017 63.200 -0.008 0.000 0.967 219 S HN 0.480 nan 8.310 nan 0.000 0.499 220 R N 2.865 123.294 120.500 -0.118 0.000 2.638 220 R HA 0.200 4.540 4.340 -0.000 0.000 0.261 220 R C -0.752 175.497 176.300 -0.085 0.000 1.515 220 R CA -0.641 55.395 56.100 -0.106 0.000 1.623 220 R CB -0.840 29.364 30.300 -0.159 0.000 1.347 220 R HN 0.412 nan 8.270 nan 0.000 0.705 221 T N 2.151 116.621 114.554 -0.141 0.000 2.891 221 T HA -0.076 4.274 4.350 -0.000 0.000 0.296 221 T C -0.050 174.503 174.700 -0.246 0.000 1.025 221 T CA 0.964 62.869 62.100 -0.326 0.000 1.149 221 T CB -0.126 68.431 68.868 -0.519 0.000 1.007 221 T HN 0.558 nan 8.240 nan 0.000 0.528 222 Y N -1.169 119.150 120.300 0.032 0.000 4.936 222 Y HA -0.206 4.344 4.550 -0.000 0.000 0.260 222 Y C 0.683 176.608 175.900 0.042 0.000 0.928 222 Y CA 0.475 58.597 58.100 0.036 0.000 1.869 222 Y CB -2.204 36.274 38.460 0.030 0.000 1.344 222 Y HN 0.768 nan 8.280 nan 0.000 0.521 223 D N 0.628 121.114 120.400 0.143 0.000 2.351 223 D HA 0.573 5.213 4.640 -0.000 0.000 0.251 223 D C 1.252 177.643 176.300 0.152 0.000 1.137 223 D CA 0.751 54.832 54.000 0.135 0.000 0.879 223 D CB 1.312 42.163 40.800 0.085 0.000 1.181 223 D HN 0.272 nan 8.370 nan 0.000 0.448 224 A N 3.429 126.358 122.820 0.182 0.000 2.084 224 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 224 A C 1.108 178.704 177.584 0.019 0.000 1.161 224 A CA 1.424 53.527 52.037 0.111 0.000 0.653 224 A CB -0.567 18.498 19.000 0.107 0.000 0.802 224 A HN 0.758 nan 8.150 nan 0.000 0.457 225 H N -0.439 118.685 119.070 0.089 0.000 2.507 225 H HA 0.183 4.739 4.556 -0.000 0.000 0.294 225 H C 0.626 176.055 175.328 0.169 0.000 1.064 225 H CA -0.148 55.981 56.048 0.136 0.000 1.138 225 H CB -0.029 29.843 29.762 0.184 0.000 1.515 225 H HN 0.634 nan 8.280 nan 0.000 0.547 226 R N 1.290 121.893 120.500 0.171 0.000 2.694 226 R HA 0.073 4.413 4.340 -0.000 0.000 0.268 226 R C -0.500 175.893 176.300 0.155 0.000 1.061 226 R CA 0.279 56.451 56.100 0.120 0.000 1.133 226 R CB 0.483 30.814 30.300 0.051 0.000 1.020 226 R HN 0.200 nan 8.270 nan 0.000 0.475 227 D N 0.249 120.752 120.400 0.171 0.000 2.914 227 D HA 0.227 4.867 4.640 -0.000 0.000 0.349 227 D C -0.051 176.313 176.300 0.107 0.000 1.540 227 D CA -0.000 54.087 54.000 0.146 0.000 0.778 227 D CB 0.365 41.272 40.800 0.178 0.000 1.213 227 D HN 0.930 nan 8.370 nan 0.000 0.451 228 G N 0.474 109.334 108.800 0.099 0.000 2.484 228 G HA2 0.211 4.171 3.960 -0.000 0.000 0.685 228 G HA3 0.211 4.171 3.960 -0.000 0.000 0.685 228 G C -0.532 174.420 174.900 0.087 0.000 1.294 228 G CA -0.709 44.444 45.100 0.088 0.000 0.879 228 G HN 0.352 nan 8.290 nan 0.000 0.646 229 F N -0.349 119.608 119.950 0.013 0.000 2.375 229 F HA 0.800 5.327 4.527 0.000 0.000 0.313 229 F C 0.294 176.101 175.800 0.012 0.000 1.176 229 F CA -1.326 56.661 58.000 -0.023 0.000 1.142 229 F CB 1.179 40.128 39.000 -0.085 0.000 1.275 229 F HN 0.400 nan 8.300 nan 0.000 0.544 230 V N 4.205 124.234 119.914 0.193 0.000 2.347 230 V HA 0.252 4.372 4.120 -0.000 0.000 0.280 230 V C 0.232 176.480 176.094 0.258 0.000 1.021 230 V CA -0.886 61.474 62.300 0.099 0.000 0.847 230 V CB 1.115 33.006 31.823 0.113 0.000 0.990 230 V HN 0.847 nan 8.190 nan 0.000 0.444 231 I N 4.706 125.362 120.570 0.143 0.000 2.692 231 I HA 0.511 4.681 4.170 -0.000 0.000 0.284 231 I C 0.469 176.700 176.117 0.191 0.000 1.159 231 I CA 0.467 61.915 61.300 0.248 0.000 1.423 231 I CB 0.857 38.950 38.000 0.155 0.000 1.380 231 I HN 0.795 nan 8.210 nan 0.000 0.580 232 A N 4.992 127.870 122.820 0.097 0.000 2.569 232 A HA 0.883 5.203 4.320 -0.000 0.000 0.290 232 A C -0.597 176.940 177.584 -0.078 0.000 1.136 232 A CA -0.144 51.887 52.037 -0.011 0.000 0.710 232 A CB 1.427 20.415 19.000 -0.019 0.000 1.303 232 A HN 0.830 nan 8.150 nan 0.000 0.413 233 G N -1.711 106.996 108.800 -0.154 0.000 2.730 233 G HA2 0.929 4.889 3.960 -0.000 0.000 0.289 233 G HA3 0.929 4.889 3.960 -0.000 0.000 0.289 233 G C -0.050 174.684 174.900 -0.276 0.000 1.341 233 G CA -0.251 44.765 45.100 -0.140 0.000 0.932 233 G HN 2.287 nan 8.290 nan 0.000 0.481 234 G N -2.121 106.490 108.800 -0.315 0.000 2.340 234 G HA2 0.609 4.569 3.960 -0.000 0.000 0.282 234 G HA3 0.609 4.569 3.960 -0.000 0.000 0.282 234 G C -0.336 174.479 174.900 -0.141 0.000 1.312 234 G CA 0.199 44.978 45.100 -0.536 0.000 0.942 234 G HN 1.973 nan 8.290 nan 0.000 0.495 235 G N -1.887 106.845 108.800 -0.114 0.000 2.682 235 G HA2 1.019 4.979 3.960 -0.000 0.000 0.290 235 G HA3 1.019 4.979 3.960 -0.000 0.000 0.290 235 G C -0.375 174.491 174.900 -0.056 0.000 1.425 235 G CA 0.308 45.409 45.100 0.002 0.000 0.807 235 G HN 2.121 nan 8.290 nan 0.000 0.482 236 G N -0.641 108.126 108.800 -0.055 0.000 2.732 236 G HA2 0.606 4.566 3.960 -0.000 0.000 0.296 236 G HA3 0.606 4.566 3.960 -0.000 0.000 0.296 236 G C -1.350 173.500 174.900 -0.083 0.000 1.448 236 G CA -0.598 44.445 45.100 -0.095 0.000 0.911 236 G HN 0.552 nan 8.290 nan 0.000 0.528 237 M N 0.900 120.445 119.600 -0.092 0.000 2.421 237 M HA 0.546 5.026 4.480 -0.000 0.000 0.287 237 M C -0.381 175.865 176.300 -0.089 0.000 1.183 237 M CA -0.904 54.347 55.300 -0.081 0.000 0.916 237 M CB 1.502 34.053 32.600 -0.083 0.000 1.701 237 M HN 0.957 nan 8.290 nan 0.000 0.470 238 V N 0.219 120.081 119.914 -0.086 0.000 2.914 238 V HA 0.850 4.970 4.120 -0.000 0.000 0.314 238 V C -0.653 175.374 176.094 -0.112 0.000 1.084 238 V CA -0.891 61.345 62.300 -0.106 0.000 0.963 238 V CB 2.022 33.764 31.823 -0.136 0.000 1.025 238 V HN 0.542 nan 8.190 nan 0.000 0.432 239 V N 3.839 123.674 119.914 -0.132 0.000 2.334 239 V HA 0.351 4.471 4.120 -0.000 0.000 0.267 239 V C 0.150 176.105 176.094 -0.231 0.000 1.040 239 V CA -0.329 61.807 62.300 -0.274 0.000 0.866 239 V CB 1.112 32.792 31.823 -0.239 0.000 1.019 239 V HN 0.737 nan 8.190 nan 0.000 0.468 240 V N 5.243 124.992 119.914 -0.275 0.000 2.406 240 V HA 0.479 4.599 4.120 -0.000 0.000 0.272 240 V C 0.073 176.031 176.094 -0.227 0.000 1.043 240 V CA -0.264 61.914 62.300 -0.203 0.000 0.915 240 V CB 1.285 32.998 31.823 -0.184 0.000 0.988 240 V HN 0.975 nan 8.190 nan 0.000 0.466 241 E N 2.786 122.889 120.200 -0.160 0.000 2.340 241 E HA 0.339 4.689 4.350 -0.000 0.000 0.273 241 E C -0.848 175.697 176.600 -0.091 0.000 0.891 241 E CA -0.754 55.554 56.400 -0.153 0.000 0.757 241 E CB 1.894 31.522 29.700 -0.119 0.000 1.231 241 E HN 0.679 nan 8.360 nan 0.000 0.439 242 E N 3.445 123.591 120.200 -0.089 0.000 2.384 242 E HA -0.025 4.325 4.350 -0.000 0.000 0.266 242 E C 0.829 177.438 176.600 0.015 0.000 1.012 242 E CA -0.088 56.292 56.400 -0.033 0.000 0.901 242 E CB 1.121 30.805 29.700 -0.026 0.000 0.967 242 E HN 0.627 nan 8.360 nan 0.000 0.435 243 L N 5.578 126.805 121.223 0.006 0.000 1.990 243 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 243 L C 1.903 178.786 176.870 0.021 0.000 1.072 243 L CA 1.979 56.824 54.840 0.007 0.000 0.755 243 L CB -0.385 41.673 42.059 -0.002 0.000 0.889 243 L HN 0.552 nan 8.230 nan 0.000 0.432 244 E N -1.092 119.125 120.200 0.029 0.000 2.077 244 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 244 E C 2.228 178.849 176.600 0.035 0.000 0.989 244 E CA 1.360 57.775 56.400 0.024 0.000 0.800 244 E CB -0.696 29.018 29.700 0.023 0.000 0.746 244 E HN 0.677 nan 8.360 nan 0.000 0.452 245 H N 0.588 119.643 119.070 -0.025 0.000 2.353 245 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 245 H C 1.822 177.134 175.328 -0.028 0.000 1.090 245 H CA 1.743 57.776 56.048 -0.025 0.000 1.327 245 H CB 0.191 29.935 29.762 -0.030 0.000 1.383 245 H HN 0.123 nan 8.280 nan 0.000 0.508 246 A N 1.062 123.953 122.820 0.118 0.000 1.898 246 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 246 A C 2.883 180.458 177.584 -0.014 0.000 1.181 246 A CA 1.119 53.188 52.037 0.054 0.000 0.620 246 A CB -0.787 18.230 19.000 0.028 0.000 0.819 246 A HN 0.402 nan 8.150 nan 0.000 0.442 247 L N -0.730 120.481 121.223 -0.021 0.000 2.056 247 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 247 L C 3.083 179.924 176.870 -0.049 0.000 1.078 247 L CA 1.005 55.825 54.840 -0.034 0.000 0.749 247 L CB -0.589 41.454 42.059 -0.027 0.000 0.901 247 L HN 0.422 nan 8.230 nan 0.000 0.433 248 A N 1.105 123.882 122.820 -0.071 0.000 1.940 248 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 248 A C 2.253 179.776 177.584 -0.103 0.000 1.176 248 A CA 1.890 53.871 52.037 -0.094 0.000 0.631 248 A CB -0.559 18.362 19.000 -0.132 0.000 0.814 248 A HN 0.588 nan 8.150 nan 0.000 0.446 249 R N -1.168 119.260 120.500 -0.120 0.000 2.334 249 R HA 0.340 4.680 4.340 -0.000 0.000 0.220 249 R C 0.954 177.228 176.300 -0.043 0.000 0.917 249 R CA 0.624 56.671 56.100 -0.089 0.000 1.073 249 R CB -0.671 29.567 30.300 -0.103 0.000 1.056 249 R HN 0.748 nan 8.270 nan 0.000 0.506 250 G N 0.907 109.684 108.800 -0.038 0.000 2.273 250 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.280 250 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.280 250 G C 0.302 175.197 174.900 -0.008 0.000 1.047 250 G CA 0.211 45.297 45.100 -0.022 0.000 0.869 250 G HN 0.719 nan 8.290 nan 0.000 0.502 251 A N -0.043 122.772 122.820 -0.008 0.000 2.346 251 A HA 0.559 4.879 4.320 -0.000 0.000 0.252 251 A C 0.632 178.218 177.584 0.004 0.000 1.089 251 A CA 0.102 52.145 52.037 0.011 0.000 0.797 251 A CB 0.273 19.281 19.000 0.012 0.000 1.047 251 A HN 1.005 nan 8.150 nan 0.000 0.494 252 H N 1.395 120.414 119.070 -0.085 0.000 2.652 252 H HA 0.426 4.982 4.556 -0.000 0.000 0.298 252 H C -1.084 174.130 175.328 -0.190 0.000 1.076 252 H CA -0.251 55.700 56.048 -0.160 0.000 1.360 252 H CB 0.358 29.988 29.762 -0.221 0.000 1.421 252 H HN 0.465 nan 8.280 nan 0.000 0.464 253 I N 6.866 127.053 120.570 -0.640 0.000 2.307 253 I HA -0.024 4.146 4.170 -0.000 0.000 0.289 253 I C 0.227 175.990 176.117 -0.590 0.000 1.021 253 I CA -0.534 60.494 61.300 -0.453 0.000 1.224 253 I CB 0.854 38.721 38.000 -0.221 0.000 1.376 253 I HN 0.669 nan 8.210 nan 0.000 0.470 254 Y N 5.224 125.320 120.300 -0.340 0.000 2.184 254 Y HA 0.137 4.687 4.550 -0.000 0.000 0.290 254 Y C 1.299 177.123 175.900 -0.127 0.000 1.129 254 Y CA 1.089 59.073 58.100 -0.194 0.000 1.144 254 Y CB 0.106 38.530 38.460 -0.060 0.000 0.995 254 Y HN 0.674 nan 8.280 nan 0.000 0.513 255 A N -0.868 121.990 122.820 0.064 0.000 2.544 255 A HA 0.414 4.734 4.320 -0.000 0.000 0.291 255 A C -1.483 176.103 177.584 0.003 0.000 1.055 255 A CA -0.835 51.215 52.037 0.021 0.000 0.651 255 A CB 0.692 19.716 19.000 0.040 0.000 1.296 255 A HN 0.072 nan 8.150 nan 0.000 0.431 256 E N 0.432 120.631 120.200 -0.002 0.000 2.204 256 E HA 0.610 4.960 4.350 -0.000 0.000 0.276 256 E C -1.184 175.418 176.600 0.002 0.000 0.974 256 E CA -0.607 55.789 56.400 -0.005 0.000 0.815 256 E CB 0.946 30.643 29.700 -0.005 0.000 1.119 256 E HN 0.490 nan 8.360 nan 0.000 0.393 257 I N 5.760 126.328 120.570 -0.003 0.000 2.294 257 I HA 0.031 4.201 4.170 -0.000 0.000 0.295 257 I C 1.039 177.171 176.117 0.025 0.000 1.098 257 I CA -0.289 61.014 61.300 0.005 0.000 1.277 257 I CB 0.867 38.857 38.000 -0.016 0.000 1.434 257 I HN 0.502 nan 8.210 nan 0.000 0.498 258 V N 2.634 122.570 119.914 0.036 0.000 3.647 258 V HA 0.502 4.622 4.120 -0.000 0.000 0.279 258 V C 0.701 176.835 176.094 0.066 0.000 1.314 258 V CA 0.158 62.484 62.300 0.044 0.000 1.125 258 V CB -0.140 31.704 31.823 0.035 0.000 0.907 258 V HN 0.705 nan 8.190 nan 0.000 0.434 259 G N -0.435 108.415 108.800 0.084 0.000 2.766 259 G HA2 0.532 4.492 3.960 -0.000 0.000 0.297 259 G HA3 0.532 4.492 3.960 -0.000 0.000 0.297 259 G C -2.306 172.700 174.900 0.177 0.000 1.431 259 G CA -0.555 44.611 45.100 0.111 0.000 1.042 259 G HN 0.359 nan 8.290 nan 0.000 0.542 260 Y N 1.250 121.564 120.300 0.022 0.000 2.330 260 Y HA 0.685 5.235 4.550 -0.000 0.000 0.324 260 Y C -0.214 175.702 175.900 0.027 0.000 1.093 260 Y CA -1.173 56.937 58.100 0.017 0.000 1.103 260 Y CB 1.797 40.268 38.460 0.018 0.000 1.183 260 Y HN 0.859 nan 8.280 nan 0.000 0.433 261 G N 3.184 111.829 108.800 -0.258 0.000 2.461 261 G HA2 0.752 4.712 3.960 -0.000 0.000 0.323 261 G HA3 0.752 4.712 3.960 -0.000 0.000 0.323 261 G C -1.712 172.951 174.900 -0.396 0.000 1.229 261 G CA -0.621 44.273 45.100 -0.342 0.000 0.941 261 G HN 1.138 nan 8.290 nan 0.000 0.477 262 A N 1.729 124.338 122.820 -0.352 0.000 2.446 262 A HA 0.861 5.181 4.320 -0.000 0.000 0.282 262 A C 0.015 177.583 177.584 -0.026 0.000 1.102 262 A CA -0.125 51.867 52.037 -0.075 0.000 0.737 262 A CB 1.228 20.194 19.000 -0.057 0.000 1.212 262 A HN 1.502 nan 8.150 nan 0.000 0.434 263 T N -1.433 113.154 114.554 0.055 0.000 2.716 263 T HA 0.859 5.209 4.350 -0.000 0.000 0.286 263 T C -0.257 174.477 174.700 0.057 0.000 1.052 263 T CA -0.546 61.570 62.100 0.027 0.000 1.024 263 T CB 1.733 70.607 68.868 0.010 0.000 1.349 263 T HN 1.274 nan 8.240 nan 0.000 0.525 264 S N -1.008 114.708 115.700 0.027 0.000 2.536 264 S HA 0.457 4.927 4.470 -0.000 0.000 0.287 264 S C -0.202 174.405 174.600 0.012 0.000 1.101 264 S CA -0.618 57.600 58.200 0.029 0.000 0.950 264 S CB 1.581 64.789 63.200 0.014 0.000 1.056 264 S HN 0.688 nan 8.310 nan 0.000 0.481 265 D N 2.768 123.175 120.400 0.012 0.000 2.137 265 D HA 0.149 4.789 4.640 -0.000 0.000 0.202 265 D C 1.449 177.744 176.300 -0.008 0.000 0.970 265 D CA 1.489 55.484 54.000 -0.008 0.000 0.837 265 D CB -0.507 40.284 40.800 -0.015 0.000 0.981 265 D HN 1.046 nan 8.370 nan 0.000 0.475 266 G N 0.197 108.997 108.800 0.001 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 0.622 175.517 174.900 -0.007 0.000 1.040 266 G CA 0.897 45.995 45.100 -0.003 0.000 0.942 266 G HN 0.622 nan 8.290 nan 0.000 0.506 267 A N -0.886 121.930 122.820 -0.007 0.000 1.795 267 A HA 0.686 5.006 4.320 -0.000 0.000 0.182 267 A C 0.429 178.004 177.584 -0.014 0.000 2.073 267 A CA 1.096 53.126 52.037 -0.012 0.000 1.402 267 A CB 0.302 19.291 19.000 -0.018 0.000 0.977 267 A HN 0.534 nan 8.150 nan 0.000 0.648 268 D N -1.251 119.140 120.400 -0.016 0.000 2.198 268 D HA 0.493 5.133 4.640 -0.000 0.000 0.247 268 D C 1.112 177.395 176.300 -0.028 0.000 1.010 268 D CA -0.510 53.475 54.000 -0.026 0.000 0.880 268 D CB 0.871 41.653 40.800 -0.031 0.000 1.209 268 D HN 0.106 nan 8.370 nan 0.000 0.451 269 M N 2.023 121.591 119.600 -0.053 0.000 2.156 269 M HA -0.021 4.459 4.480 -0.000 0.000 0.264 269 M C 1.427 177.627 176.300 -0.167 0.000 1.067 269 M CA 1.185 56.442 55.300 -0.071 0.000 1.131 269 M CB -0.392 32.158 32.600 -0.083 0.000 1.368 269 M HN 0.505 nan 8.290 nan 0.000 0.416 270 V N -3.609 116.143 119.914 -0.270 0.000 3.346 270 V HA 0.652 4.772 4.120 -0.000 0.000 0.309 270 V C 0.293 176.275 176.094 -0.187 0.000 1.457 270 V CA -0.191 61.774 62.300 -0.559 0.000 1.069 270 V CB -0.532 30.822 31.823 -0.782 0.000 0.944 270 V HN 0.146 nan 8.190 nan 0.000 0.449 271 A N 1.812 124.598 122.820 -0.056 0.000 2.414 271 A HA 0.932 5.252 4.320 -0.000 0.000 0.306 271 A C -3.019 174.572 177.584 0.013 0.000 1.054 271 A CA -1.779 50.264 52.037 0.011 0.000 0.724 271 A CB 1.482 20.478 19.000 -0.007 0.000 1.267 271 A HN 0.224 nan 8.150 nan 0.000 0.418 272 P HA 0.161 nan 4.420 nan 0.000 0.278 272 P C 0.557 177.812 177.300 -0.075 0.000 1.238 272 P CA -0.053 63.007 63.100 -0.066 0.000 0.794 272 P CB 1.618 33.235 31.700 -0.138 0.000 0.955 273 S N 1.054 116.699 115.700 -0.091 0.000 2.503 273 S HA 0.202 4.672 4.470 -0.000 0.000 0.215 273 S C 1.626 176.173 174.600 -0.087 0.000 1.003 273 S CA 0.752 58.910 58.200 -0.070 0.000 0.910 273 S CB -0.871 62.297 63.200 -0.053 0.000 0.790 273 S HN 0.727 nan 8.310 nan 0.000 0.514 274 G N 2.129 110.841 108.800 -0.146 0.000 2.550 274 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.233 274 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.233 274 G C 0.959 175.793 174.900 -0.110 0.000 1.170 274 G CA 0.624 45.637 45.100 -0.145 0.000 0.693 274 G HN 0.489 nan 8.290 nan 0.000 0.512 275 E N 1.836 121.990 120.200 -0.077 0.000 2.118 275 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 275 E C 2.629 179.195 176.600 -0.056 0.000 0.992 275 E CA 2.244 58.612 56.400 -0.054 0.000 0.804 275 E CB -0.968 28.708 29.700 -0.041 0.000 0.741 275 E HN 0.648 nan 8.360 nan 0.000 0.458 276 G N 0.731 109.489 108.800 -0.070 0.000 2.402 276 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 276 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 276 G C 1.754 176.628 174.900 -0.043 0.000 1.162 276 G CA 1.287 46.357 45.100 -0.050 0.000 0.777 276 G HN 0.422 nan 8.290 nan 0.000 0.539 277 A N 0.216 122.967 122.820 -0.116 0.000 1.933 277 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 277 A C 2.598 180.193 177.584 0.019 0.000 1.175 277 A CA 1.811 53.807 52.037 -0.068 0.000 0.628 277 A CB -0.622 18.169 19.000 -0.348 0.000 0.814 277 A HN 0.254 nan 8.150 nan 0.000 0.444 278 V N -0.065 119.836 119.914 -0.023 0.000 2.287 278 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 278 V C 2.649 178.730 176.094 -0.022 0.000 1.053 278 V CA 2.348 64.637 62.300 -0.018 0.000 1.027 278 V CB -0.790 31.014 31.823 -0.031 0.000 0.646 278 V HN 0.535 nan 8.190 nan 0.000 0.447 279 R N -1.195 119.292 120.500 -0.021 0.000 2.092 279 R HA -0.152 4.188 4.340 -0.000 0.000 0.231 279 R C 2.399 178.689 176.300 -0.017 0.000 1.119 279 R CA 1.563 57.648 56.100 -0.025 0.000 0.970 279 R CB -0.801 29.482 30.300 -0.027 0.000 0.864 279 R HN 0.562 nan 8.270 nan 0.000 0.440 280 C N 0.757 120.064 119.300 0.012 0.000 2.432 280 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 280 C C 2.587 177.591 174.990 0.023 0.000 1.249 280 C CA 0.893 59.927 59.018 0.026 0.000 1.725 280 C CB -0.646 27.158 27.740 0.106 0.000 2.028 280 C HN 0.461 nan 8.230 nan 0.000 0.477 281 M N 0.088 119.716 119.600 0.047 0.000 2.132 281 M HA -0.139 4.340 4.480 -0.000 0.000 0.263 281 M C 2.293 178.578 176.300 -0.025 0.000 1.065 281 M CA 1.764 57.084 55.300 0.034 0.000 1.122 281 M CB -0.461 32.173 32.600 0.057 0.000 1.365 281 M HN 0.369 nan 8.290 nan 0.000 0.411 282 K N 0.004 120.372 120.400 -0.052 0.000 2.097 282 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 282 K C 1.987 178.584 176.600 -0.005 0.000 1.049 282 K CA 1.398 57.651 56.287 -0.058 0.000 0.933 282 K CB -0.234 32.232 32.500 -0.057 0.000 0.717 282 K HN 0.369 nan 8.250 nan 0.000 0.442 283 M N 0.503 120.093 119.600 -0.017 0.000 2.117 283 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 283 M C 2.117 178.423 176.300 0.009 0.000 1.065 283 M CA 1.726 57.010 55.300 -0.027 0.000 1.114 283 M CB -0.080 32.471 32.600 -0.082 0.000 1.361 283 M HN 0.161 nan 8.290 nan 0.000 0.408 284 A N 0.070 122.893 122.820 0.005 0.000 2.015 284 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 284 A C 1.921 179.540 177.584 0.059 0.000 1.163 284 A CA 1.437 53.497 52.037 0.039 0.000 0.646 284 A CB -0.608 18.421 19.000 0.048 0.000 0.806 284 A HN 0.642 nan 8.150 nan 0.000 0.448 285 M N -0.913 118.712 119.600 0.042 0.000 2.558 285 M HA 0.025 4.505 4.480 -0.000 0.000 0.255 285 M C 0.722 177.043 176.300 0.035 0.000 1.113 285 M CA 0.161 55.477 55.300 0.028 0.000 1.097 285 M CB -0.048 32.533 32.600 -0.033 0.000 1.426 285 M HN 0.426 nan 8.290 nan 0.000 0.488 286 H N 0.745 119.800 119.070 -0.024 0.000 3.046 286 H HA 0.059 4.615 4.556 -0.000 0.000 0.303 286 H C 1.023 176.346 175.328 -0.007 0.000 1.002 286 H CA 1.827 57.862 56.048 -0.021 0.000 1.460 286 H CB 0.385 30.132 29.762 -0.025 0.000 1.493 286 H HN 0.563 nan 8.280 nan 0.000 0.559 287 G N 4.014 112.602 108.800 -0.353 0.000 2.217 287 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.246 287 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.246 287 G C 0.199 175.052 174.900 -0.078 0.000 0.990 287 G CA 0.173 45.157 45.100 -0.193 0.000 0.627 287 G HN 0.614 nan 8.290 nan 0.000 0.522 288 V N 3.069 122.954 119.914 -0.048 0.000 2.397 288 V HA 0.331 4.451 4.120 -0.000 0.000 0.262 288 V C 1.210 177.291 176.094 -0.021 0.000 1.047 288 V CA 0.536 62.829 62.300 -0.012 0.000 1.003 288 V CB 1.154 32.987 31.823 0.017 0.000 1.037 288 V HN 0.508 nan 8.190 nan 0.000 0.480 289 D N 2.566 122.956 120.400 -0.017 0.000 2.336 289 D HA -0.015 4.625 4.640 -0.000 0.000 0.229 289 D C 0.716 177.017 176.300 0.002 0.000 1.061 289 D CA 0.107 54.098 54.000 -0.015 0.000 0.875 289 D CB -0.037 40.753 40.800 -0.017 0.000 0.904 289 D HN 0.591 nan 8.370 nan 0.000 0.525 290 T N -2.487 112.075 114.554 0.014 0.000 2.887 290 T HA 0.587 4.937 4.350 -0.000 0.000 0.288 290 T C -2.791 171.937 174.700 0.046 0.000 1.021 290 T CA -1.803 60.313 62.100 0.026 0.000 1.000 290 T CB 2.363 71.247 68.868 0.026 0.000 1.034 290 T HN -0.163 nan 8.240 nan 0.000 0.467 291 P HA 0.318 nan 4.420 nan 0.000 0.274 291 P C -0.437 176.916 177.300 0.089 0.000 1.231 291 P CA -0.674 62.476 63.100 0.085 0.000 0.790 291 P CB 0.573 32.315 31.700 0.069 0.000 0.951 292 I N 3.113 123.763 120.570 0.132 0.000 2.436 292 I HA 0.006 4.176 4.170 -0.000 0.000 0.289 292 I C 1.346 177.469 176.117 0.009 0.000 1.083 292 I CA 0.370 61.722 61.300 0.086 0.000 1.372 292 I CB -0.169 37.909 38.000 0.130 0.000 1.408 292 I HN 0.325 nan 8.210 nan 0.000 0.516 293 D N 5.050 125.469 120.400 0.033 0.000 2.183 293 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 293 D C 0.170 176.515 176.300 0.074 0.000 0.962 293 D CA 1.503 55.527 54.000 0.041 0.000 0.849 293 D CB 0.323 41.158 40.800 0.058 0.000 0.978 293 D HN 0.522 nan 8.370 nan 0.000 0.488 294 Y N 0.121 120.384 120.300 -0.062 0.000 2.524 294 Y HA 0.508 5.058 4.550 -0.000 0.000 0.347 294 Y C -1.865 173.996 175.900 -0.065 0.000 1.005 294 Y CA -1.243 56.813 58.100 -0.073 0.000 1.025 294 Y CB 1.574 39.991 38.460 -0.071 0.000 1.275 294 Y HN -0.224 nan 8.280 nan 0.000 0.460 295 L N 6.616 127.192 121.223 -1.079 0.000 2.404 295 L HA 0.465 4.805 4.340 -0.000 0.000 0.272 295 L C -1.294 174.964 176.870 -1.021 0.000 0.980 295 L CA -0.522 53.838 54.840 -0.799 0.000 0.836 295 L CB 1.006 42.817 42.059 -0.414 0.000 1.238 295 L HN 0.782 nan 8.230 nan 0.000 0.408 296 N N 3.603 121.874 118.700 -0.714 0.000 2.482 296 N HA 0.109 4.849 4.740 -0.000 0.000 0.242 296 N C -0.214 175.239 175.510 -0.094 0.000 1.100 296 N CA -0.095 52.802 53.050 -0.256 0.000 0.946 296 N CB 0.885 39.408 38.487 0.061 0.000 1.227 296 N HN 0.733 nan 8.380 nan 0.000 0.508 297 S N 2.554 118.238 115.700 -0.027 0.000 2.596 297 S HA -0.022 4.448 4.470 -0.000 0.000 0.260 297 S C 1.333 175.976 174.600 0.071 0.000 1.336 297 S CA -0.108 58.133 58.200 0.070 0.000 0.993 297 S CB 0.977 64.295 63.200 0.196 0.000 0.923 297 S HN 0.717 nan 8.310 nan 0.000 0.567 298 H N 1.664 120.725 119.070 -0.015 0.000 2.333 298 H HA 0.171 4.727 4.556 -0.000 0.000 0.302 298 H C 1.623 176.921 175.328 -0.050 0.000 1.075 298 H CA 1.300 57.302 56.048 -0.077 0.000 1.348 298 H CB -1.097 28.621 29.762 -0.074 0.000 1.393 298 H HN 1.043 nan 8.280 nan 0.000 0.509 299 G N 0.983 109.769 108.800 -0.023 0.000 2.232 299 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.240 299 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.240 299 G C 0.910 175.620 174.900 -0.315 0.000 0.424 299 G CA 0.993 45.965 45.100 -0.214 0.000 1.047 299 G HN 0.744 nan 8.290 nan 0.000 0.442 300 T N -1.454 112.882 114.554 -0.362 0.000 3.129 300 T HA 0.407 4.757 4.350 -0.000 0.000 0.251 300 T C 1.236 175.867 174.700 -0.115 0.000 1.117 300 T CA 0.882 62.779 62.100 -0.339 0.000 1.034 300 T CB 0.312 68.809 68.868 -0.618 0.000 0.968 300 T HN 1.736 nan 8.240 nan 0.000 0.526 301 S N 0.891 116.504 115.700 -0.145 0.000 3.807 301 S HA -0.134 4.336 4.470 -0.000 0.000 0.304 301 S C 0.218 174.824 174.600 0.011 0.000 1.152 301 S CA 0.545 58.694 58.200 -0.086 0.000 0.852 301 S CB -2.097 61.075 63.200 -0.046 0.000 0.924 301 S HN 1.237 nan 8.310 nan 0.000 0.545 302 T N -1.008 113.559 114.554 0.023 0.000 2.859 302 T HA 0.692 5.042 4.350 -0.000 0.000 0.281 302 T C -1.440 173.301 174.700 0.068 0.000 1.005 302 T CA -1.684 60.468 62.100 0.087 0.000 1.025 302 T CB 1.741 70.691 68.868 0.137 0.000 0.977 302 T HN -0.053 nan 8.240 nan 0.000 0.458 303 P HA -0.147 nan 4.420 nan 0.000 0.214 303 P C 1.637 178.976 177.300 0.066 0.000 1.169 303 P CA 0.793 63.932 63.100 0.065 0.000 0.908 303 P CB -0.015 31.721 31.700 0.061 0.000 0.791 304 V N -0.629 119.328 119.914 0.070 0.000 2.302 304 V HA -0.065 4.055 4.120 -0.000 0.000 0.243 304 V C 2.591 178.727 176.094 0.070 0.000 1.036 304 V CA 2.299 64.637 62.300 0.063 0.000 1.020 304 V CB -1.939 29.919 31.823 0.057 0.000 0.657 304 V HN 0.164 nan 8.190 nan 0.000 0.453 305 G N 0.189 109.042 108.800 0.088 0.000 2.491 305 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 305 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 305 G C 1.174 176.138 174.900 0.107 0.000 1.180 305 G CA 1.444 46.605 45.100 0.102 0.000 0.774 305 G HN 0.494 nan 8.290 nan 0.000 0.562 306 D N 0.076 120.526 120.400 0.083 0.000 2.127 306 D HA -0.166 4.474 4.640 -0.000 0.000 0.190 306 D C 2.900 179.327 176.300 0.211 0.000 1.000 306 D CA 2.175 56.231 54.000 0.094 0.000 0.839 306 D CB -0.738 40.065 40.800 0.005 0.000 0.955 306 D HN 0.358 nan 8.370 nan 0.000 0.446 307 V N -1.233 118.776 119.914 0.159 0.000 2.667 307 V HA -0.081 4.039 4.120 -0.000 0.000 0.252 307 V C 2.126 178.276 176.094 0.094 0.000 1.065 307 V CA 1.269 63.652 62.300 0.138 0.000 1.083 307 V CB -0.526 31.355 31.823 0.097 0.000 0.692 307 V HN -0.069 nan 8.190 nan 0.000 0.468 308 K N 1.224 121.666 120.400 0.070 0.000 2.097 308 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 308 K C 2.235 178.844 176.600 0.015 0.000 1.049 308 K CA 1.976 58.276 56.287 0.022 0.000 0.933 308 K CB -0.421 32.073 32.500 -0.010 0.000 0.717 308 K HN 0.750 nan 8.250 nan 0.000 0.442 309 E N -0.028 120.210 120.200 0.063 0.000 2.072 309 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 309 E C 1.864 178.543 176.600 0.132 0.000 0.985 309 E CA 1.040 57.503 56.400 0.104 0.000 0.801 309 E CB -0.093 29.768 29.700 0.269 0.000 0.750 309 E HN 0.252 nan 8.360 nan 0.000 0.452 310 L N 0.574 121.885 121.223 0.147 0.000 2.042 310 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 310 L C 2.739 179.649 176.870 0.068 0.000 1.076 310 L CA 1.155 56.053 54.840 0.096 0.000 0.749 310 L CB -0.610 41.488 42.059 0.065 0.000 0.893 310 L HN 0.260 nan 8.230 nan 0.000 0.432 311 A N 0.019 122.873 122.820 0.056 0.000 1.933 311 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 311 A C 2.525 180.134 177.584 0.040 0.000 1.175 311 A CA 1.748 53.808 52.037 0.038 0.000 0.628 311 A CB -0.602 18.412 19.000 0.024 0.000 0.814 311 A HN 0.421 nan 8.150 nan 0.000 0.444 312 A N -0.183 122.661 122.820 0.039 0.000 1.930 312 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 312 A C 2.099 179.739 177.584 0.094 0.000 1.175 312 A CA 1.383 53.442 52.037 0.037 0.000 0.627 312 A CB -0.536 18.466 19.000 0.003 0.000 0.815 312 A HN 0.490 nan 8.150 nan 0.000 0.443 313 I N -0.822 119.836 120.570 0.146 0.000 2.226 313 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 313 I C 2.749 179.027 176.117 0.269 0.000 1.100 313 I CA 1.213 62.669 61.300 0.261 0.000 1.374 313 I CB -0.321 37.791 38.000 0.186 0.000 1.057 313 I HN 0.294 nan 8.210 nan 0.000 0.413 314 R N 0.336 120.921 120.500 0.141 0.000 2.096 314 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 314 R C 2.214 178.570 176.300 0.094 0.000 1.127 314 R CA 1.556 57.722 56.100 0.110 0.000 0.968 314 R CB -0.323 30.012 30.300 0.057 0.000 0.861 314 R HN 0.275 nan 8.270 nan 0.000 0.440 315 E N 0.622 120.859 120.200 0.062 0.000 2.106 315 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 315 E C 1.812 178.405 176.600 -0.012 0.000 0.984 315 E CA 1.111 57.524 56.400 0.021 0.000 0.806 315 E CB 0.024 29.727 29.700 0.005 0.000 0.750 315 E HN 0.045 nan 8.360 nan 0.000 0.458 316 V N -0.274 119.620 119.914 -0.034 0.000 2.283 316 V HA -0.155 3.965 4.120 -0.000 0.000 0.243 316 V C 1.899 177.796 176.094 -0.329 0.000 1.039 316 V CA 1.879 64.040 62.300 -0.232 0.000 1.016 316 V CB -0.531 31.046 31.823 -0.410 0.000 0.650 316 V HN 0.246 nan 8.190 nan 0.000 0.449 317 F N 0.003 119.955 119.950 0.003 0.000 2.530 317 F HA 0.457 4.984 4.527 -0.000 0.000 0.292 317 F C 1.876 177.675 175.800 -0.002 0.000 1.109 317 F CA 0.805 58.805 58.000 -0.000 0.000 1.450 317 F CB -0.675 38.322 39.000 -0.003 0.000 1.114 317 F HN 0.301 nan 8.300 nan 0.000 0.560 318 G N 0.904 109.802 108.800 0.163 0.000 2.557 318 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.292 318 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.292 318 G C 0.712 175.666 174.900 0.090 0.000 1.162 318 G CA 0.627 45.782 45.100 0.092 0.000 0.964 318 G HN 0.220 nan 8.290 nan 0.000 0.541 319 D N 1.149 121.589 120.400 0.068 0.000 2.249 319 D HA 0.096 4.736 4.640 -0.000 0.000 0.205 319 D C 1.544 177.875 176.300 0.052 0.000 0.962 319 D CA 0.730 54.758 54.000 0.048 0.000 0.860 319 D CB 0.039 40.859 40.800 0.033 0.000 0.955 319 D HN 0.255 nan 8.370 nan 0.000 0.505 320 K N 1.846 122.297 120.400 0.085 0.000 3.006 320 K HA 0.136 4.456 4.320 -0.000 0.000 0.262 320 K C -0.088 176.563 176.600 0.085 0.000 1.289 320 K CA -0.090 56.247 56.287 0.083 0.000 1.245 320 K CB -0.207 32.355 32.500 0.102 0.000 1.614 320 K HN 0.064 nan 8.250 nan 0.000 0.322 321 S N 1.337 117.039 115.700 0.003 0.000 2.548 321 S HA 0.368 4.838 4.470 -0.000 0.000 0.277 321 S C -1.672 172.768 174.600 -0.267 0.000 1.315 321 S CA -1.119 56.976 58.200 -0.175 0.000 1.050 321 S CB 0.820 63.950 63.200 -0.116 0.000 0.918 321 S HN 0.195 nan 8.310 nan 0.000 0.497 322 P HA 0.334 nan 4.420 nan 0.000 0.275 322 P C -0.437 176.732 177.300 -0.219 0.000 1.266 322 P CA -0.590 62.312 63.100 -0.329 0.000 0.793 322 P CB 0.415 31.843 31.700 -0.454 0.000 1.074 323 A N 0.787 123.547 122.820 -0.101 0.000 2.462 323 A HA 0.455 4.775 4.320 -0.000 0.000 0.243 323 A C 0.294 177.852 177.584 -0.044 0.000 1.076 323 A CA -0.125 51.904 52.037 -0.014 0.000 0.773 323 A CB -0.692 18.367 19.000 0.097 0.000 1.010 323 A HN 0.452 nan 8.150 nan 0.000 0.493 324 I N 1.507 122.058 120.570 -0.031 0.000 2.647 324 I HA 0.549 4.719 4.170 -0.000 0.000 0.295 324 I C -0.033 176.141 176.117 0.096 0.000 1.078 324 I CA -0.301 60.960 61.300 -0.065 0.000 1.048 324 I CB 2.551 40.473 38.000 -0.129 0.000 1.239 324 I HN 0.758 nan 8.210 nan 0.000 0.421 325 S N 3.599 119.406 115.700 0.179 0.000 2.535 325 S HA 0.809 5.279 4.470 -0.000 0.000 0.272 325 S C -1.048 173.696 174.600 0.240 0.000 1.149 325 S CA -0.791 57.565 58.200 0.260 0.000 0.888 325 S CB 1.923 65.301 63.200 0.296 0.000 1.110 325 S HN 0.805 nan 8.310 nan 0.000 0.463 326 A N 2.441 125.393 122.820 0.220 0.000 2.341 326 A HA 0.587 4.907 4.320 -0.000 0.000 0.326 326 A C 1.261 178.881 177.584 0.059 0.000 1.402 326 A CA -0.180 51.920 52.037 0.105 0.000 0.957 326 A CB -0.247 18.734 19.000 -0.032 0.000 1.151 326 A HN 1.396 nan 8.150 nan 0.000 0.533 327 T N -0.160 114.437 114.554 0.072 0.000 2.977 327 T HA -0.097 4.253 4.350 -0.000 0.000 0.271 327 T C 1.692 176.378 174.700 -0.024 0.000 1.105 327 T CA 1.394 63.495 62.100 0.000 0.000 1.116 327 T CB -0.254 68.605 68.868 -0.015 0.000 0.878 327 T HN 0.849 nan 8.240 nan 0.000 0.509 328 A N 1.537 124.358 122.820 0.001 0.000 2.070 328 A HA 0.346 4.666 4.320 -0.000 0.000 0.220 328 A C 2.717 180.288 177.584 -0.021 0.000 1.159 328 A CA 1.411 53.445 52.037 -0.005 0.000 0.656 328 A CB -1.159 17.815 19.000 -0.044 0.000 0.800 328 A HN 0.728 nan 8.150 nan 0.000 0.453 329 A N -0.904 121.893 122.820 -0.038 0.000 2.070 329 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 329 A C 2.140 179.705 177.584 -0.031 0.000 1.159 329 A CA 1.680 53.694 52.037 -0.039 0.000 0.656 329 A CB -0.374 18.606 19.000 -0.033 0.000 0.800 329 A HN 0.561 nan 8.150 nan 0.000 0.453 330 M N -1.446 118.131 119.600 -0.039 0.000 2.557 330 M HA -0.027 4.453 4.480 -0.000 0.000 0.262 330 M C 2.327 178.602 176.300 -0.041 0.000 1.168 330 M CA 1.633 56.903 55.300 -0.049 0.000 1.194 330 M CB -0.068 32.478 32.600 -0.089 0.000 1.311 330 M HN 0.548 nan 8.290 nan 0.000 0.489 331 T N -2.087 112.438 114.554 -0.048 0.000 3.054 331 T HA 0.414 4.764 4.350 -0.000 0.000 0.259 331 T C 1.052 175.767 174.700 0.026 0.000 1.092 331 T CA 0.469 62.558 62.100 -0.018 0.000 1.121 331 T CB -0.141 68.724 68.868 -0.004 0.000 0.912 331 T HN 0.564 nan 8.240 nan 0.000 0.489 332 G N 0.924 109.750 108.800 0.044 0.000 2.757 332 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.638 332 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.638 332 G C -0.845 174.122 174.900 0.111 0.000 1.344 332 G CA -0.350 44.806 45.100 0.094 0.000 0.855 332 G HN 0.904 nan 8.290 nan 0.000 0.537 333 H N 0.063 119.153 119.070 0.032 0.000 2.597 333 H HA 0.610 5.166 4.556 -0.000 0.000 0.303 333 H C 1.494 176.775 175.328 -0.077 0.000 1.057 333 H CA 0.441 56.431 56.048 -0.098 0.000 1.261 333 H CB 0.984 30.552 29.762 -0.323 0.000 1.397 333 H HN 0.876 nan 8.280 nan 0.000 0.461 334 S N 5.015 120.451 115.700 -0.439 0.000 2.710 334 S HA 0.124 4.594 4.470 -0.000 0.000 0.224 334 S C 1.073 175.417 174.600 -0.428 0.000 0.948 334 S CA 0.069 58.072 58.200 -0.328 0.000 0.949 334 S CB -0.851 62.224 63.200 -0.208 0.000 0.778 334 S HN 0.778 nan 8.310 nan 0.000 0.498 335 L N -0.161 120.571 121.223 -0.819 0.000 5.154 335 L HA -0.354 3.986 4.340 -0.000 0.000 0.053 335 L C 2.278 178.983 176.870 -0.275 0.000 3.137 335 L CA 1.461 56.000 54.840 -0.502 0.000 1.466 335 L CB -2.050 39.896 42.059 -0.188 0.000 2.980 335 L HN 0.429 nan 8.230 nan 0.000 0.938 336 G N -1.102 107.628 108.800 -0.116 0.000 2.448 336 G HA2 0.020 3.980 3.960 -0.000 0.000 0.219 336 G HA3 0.020 3.980 3.960 -0.000 0.000 0.219 336 G C 1.266 176.121 174.900 -0.074 0.000 1.127 336 G CA 1.314 46.383 45.100 -0.052 0.000 0.766 336 G HN 0.867 nan 8.290 nan 0.000 0.552 337 A N 0.362 123.116 122.820 -0.110 0.000 2.218 337 A HA 0.640 4.960 4.320 -0.000 0.000 0.209 337 A C 2.544 180.030 177.584 -0.163 0.000 1.168 337 A CA 1.277 53.248 52.037 -0.111 0.000 0.804 337 A CB -0.222 18.724 19.000 -0.090 0.000 0.834 337 A HN 0.540 nan 8.150 nan 0.000 0.482 338 A N 0.095 122.785 122.820 -0.216 0.000 1.908 338 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 338 A C 2.327 179.830 177.584 -0.136 0.000 1.181 338 A CA 1.894 53.808 52.037 -0.205 0.000 0.627 338 A CB -1.248 17.565 19.000 -0.311 0.000 0.818 338 A HN 0.665 nan 8.150 nan 0.000 0.445 339 G N -0.891 107.840 108.800 -0.114 0.000 2.446 339 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 339 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 339 G C 1.651 176.462 174.900 -0.150 0.000 1.168 339 G CA 1.324 46.354 45.100 -0.117 0.000 0.771 339 G HN 0.578 nan 8.290 nan 0.000 0.551 340 V N 0.100 119.919 119.914 -0.159 0.000 2.453 340 V HA -0.097 4.023 4.120 -0.000 0.000 0.247 340 V C 2.731 178.659 176.094 -0.278 0.000 1.048 340 V CA 2.388 64.578 62.300 -0.183 0.000 1.049 340 V CB -0.222 31.515 31.823 -0.145 0.000 0.672 340 V HN 0.505 nan 8.190 nan 0.000 0.457 341 Q N -0.454 119.143 119.800 -0.339 0.000 2.084 341 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 341 Q C 2.167 177.549 176.000 -1.030 0.000 0.978 341 Q CA 2.111 57.539 55.803 -0.625 0.000 0.844 341 Q CB -0.117 28.326 28.738 -0.492 0.000 0.898 341 Q HN 0.700 nan 8.270 nan 0.000 0.426 342 E N 0.318 120.198 120.200 -0.534 0.000 2.152 342 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 342 E C 1.840 178.343 176.600 -0.162 0.000 0.983 342 E CA 0.767 57.018 56.400 -0.248 0.000 0.818 342 E CB 0.007 29.696 29.700 -0.018 0.000 0.758 342 E HN 0.343 nan 8.360 nan 0.000 0.467 343 A N 0.689 123.392 122.820 -0.194 0.000 1.930 343 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 343 A C 2.092 179.586 177.584 -0.151 0.000 1.175 343 A CA 0.854 52.813 52.037 -0.130 0.000 0.627 343 A CB -0.383 18.535 19.000 -0.137 0.000 0.815 343 A HN 0.155 nan 8.150 nan 0.000 0.443 344 I N -1.494 118.920 120.570 -0.261 0.000 2.202 344 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 344 I C 2.282 178.341 176.117 -0.096 0.000 1.091 344 I CA 1.170 62.327 61.300 -0.240 0.000 1.368 344 I CB -0.430 37.386 38.000 -0.306 0.000 1.058 344 I HN 0.373 nan 8.210 nan 0.000 0.410 345 Y N 0.855 121.131 120.300 -0.040 0.000 2.165 345 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 345 Y C 2.939 178.812 175.900 -0.046 0.000 1.155 345 Y CA 0.969 59.054 58.100 -0.025 0.000 1.164 345 Y CB -1.407 37.048 38.460 -0.007 0.000 0.978 345 Y HN 0.110 nan 8.280 nan 0.000 0.513 346 S N -0.027 115.754 115.700 0.136 0.000 2.383 346 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 346 S C 2.138 176.755 174.600 0.029 0.000 1.026 346 S CA 1.054 59.318 58.200 0.107 0.000 0.981 346 S CB -0.567 62.721 63.200 0.146 0.000 0.818 346 S HN 0.357 nan 8.310 nan 0.000 0.472 347 L N 0.904 122.129 121.223 0.003 0.000 2.141 347 L HA -0.016 4.324 4.340 -0.000 0.000 0.209 347 L C 2.120 179.025 176.870 0.058 0.000 1.094 347 L CA 0.827 55.664 54.840 -0.005 0.000 0.763 347 L CB -0.460 41.526 42.059 -0.121 0.000 0.908 347 L HN 0.287 nan 8.230 nan 0.000 0.437 348 L N -1.119 120.154 121.223 0.084 0.000 2.093 348 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 348 L C 2.593 179.597 176.870 0.224 0.000 1.085 348 L CA 1.162 56.156 54.840 0.256 0.000 0.755 348 L CB -0.299 41.919 42.059 0.266 0.000 0.904 348 L HN 0.311 nan 8.230 nan 0.000 0.435 349 M N -0.876 118.653 119.600 -0.118 0.000 2.132 349 M HA -0.210 4.270 4.480 -0.000 0.000 0.263 349 M C 2.266 178.447 176.300 -0.198 0.000 1.065 349 M CA 1.514 56.493 55.300 -0.534 0.000 1.122 349 M CB -0.255 31.863 32.600 -0.805 0.000 1.365 349 M HN 0.209 nan 8.290 nan 0.000 0.411 350 L N 0.542 121.723 121.223 -0.070 0.000 2.056 350 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 350 L C 2.201 179.092 176.870 0.034 0.000 1.078 350 L CA 1.948 56.785 54.840 -0.005 0.000 0.749 350 L CB -0.550 41.526 42.059 0.028 0.000 0.901 350 L HN 0.203 nan 8.230 nan 0.000 0.433 351 E N -1.287 118.955 120.200 0.070 0.000 2.106 351 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 351 E C 1.637 178.141 176.600 -0.160 0.000 0.984 351 E CA 1.401 57.798 56.400 -0.004 0.000 0.806 351 E CB -0.083 29.670 29.700 0.087 0.000 0.750 351 E HN 0.624 nan 8.360 nan 0.000 0.458 352 H N -1.184 117.997 119.070 0.185 0.000 2.549 352 H HA 0.274 4.830 4.556 -0.000 0.000 0.279 352 H C 0.480 175.955 175.328 0.245 0.000 1.018 352 H CA 0.452 56.638 56.048 0.230 0.000 1.175 352 H CB 0.536 30.497 29.762 0.331 0.000 1.485 352 H HN 0.261 nan 8.280 nan 0.000 0.543 353 G N 2.161 111.088 108.800 0.212 0.000 2.370 353 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.293 353 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.293 353 G C -0.245 174.794 174.900 0.232 0.000 0.992 353 G CA 0.882 46.070 45.100 0.147 0.000 1.247 353 G HN 0.525 nan 8.290 nan 0.000 0.505 354 F N -1.483 118.458 119.950 -0.015 0.000 2.719 354 F HA 0.780 5.307 4.527 -0.000 0.000 0.309 354 F C -1.009 174.703 175.800 -0.147 0.000 1.138 354 F CA -2.246 55.722 58.000 -0.054 0.000 0.943 354 F CB 1.092 40.073 39.000 -0.031 0.000 1.304 354 F HN 0.076 nan 8.300 nan 0.000 0.445 355 I N 3.062 123.511 120.570 -0.202 0.000 2.362 355 I HA 0.619 4.789 4.170 -0.000 0.000 0.289 355 I C 0.207 176.226 176.117 -0.164 0.000 0.994 355 I CA -1.104 59.924 61.300 -0.454 0.000 1.158 355 I CB 1.643 39.494 38.000 -0.248 0.000 1.315 355 I HN 0.970 nan 8.210 nan 0.000 0.451 356 A N 9.266 131.892 122.820 -0.323 0.000 2.462 356 A HA 0.436 4.756 4.320 -0.000 0.000 0.243 356 A C -2.319 175.285 177.584 0.034 0.000 1.076 356 A CA -0.963 51.089 52.037 0.025 0.000 0.773 356 A CB -0.367 18.607 19.000 -0.043 0.000 1.010 356 A HN 0.439 nan 8.150 nan 0.000 0.493 357 P HA 0.130 nan 4.420 nan 0.000 0.278 357 P C -0.379 176.959 177.300 0.064 0.000 1.238 357 P CA -0.211 62.926 63.100 0.061 0.000 0.794 357 P CB 1.288 33.016 31.700 0.047 0.000 0.955 358 S N 3.190 118.942 115.700 0.087 0.000 2.409 358 S HA 0.344 4.814 4.470 -0.000 0.000 0.308 358 S C 0.689 175.333 174.600 0.075 0.000 1.080 358 S CA -0.825 57.439 58.200 0.106 0.000 1.081 358 S CB -1.383 61.927 63.200 0.184 0.000 1.009 358 S HN 0.347 nan 8.310 nan 0.000 0.502 359 I N 2.046 122.639 120.570 0.039 0.000 3.156 359 I HA 0.456 4.626 4.170 -0.000 0.000 0.306 359 I C 0.427 176.549 176.117 0.008 0.000 1.048 359 I CA -0.594 60.717 61.300 0.019 0.000 1.207 359 I CB 0.253 38.253 38.000 -0.001 0.000 1.456 359 I HN 0.509 nan 8.210 nan 0.000 0.616 360 N N 1.012 119.708 118.700 -0.007 0.000 2.714 360 N HA -0.182 4.558 4.740 -0.000 0.000 0.250 360 N C -0.500 175.005 175.510 -0.008 0.000 1.117 360 N CA 0.953 53.987 53.050 -0.028 0.000 0.719 360 N CB -1.467 36.978 38.487 -0.071 0.000 1.081 360 N HN 0.606 nan 8.380 nan 0.000 0.557 361 I N 1.257 121.843 120.570 0.026 0.000 2.224 361 I HA 0.038 4.208 4.170 -0.000 0.000 0.293 361 I C 1.458 177.599 176.117 0.039 0.000 1.155 361 I CA -0.119 61.213 61.300 0.055 0.000 1.297 361 I CB 0.204 38.257 38.000 0.088 0.000 1.487 361 I HN 0.039 nan 8.210 nan 0.000 0.564 362 E N 3.509 123.724 120.200 0.025 0.000 2.158 362 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 362 E C 0.594 177.214 176.600 0.033 0.000 0.982 362 E CA 0.718 57.124 56.400 0.012 0.000 0.823 362 E CB 0.391 30.076 29.700 -0.024 0.000 0.766 362 E HN 0.526 nan 8.360 nan 0.000 0.468 363 E N 1.173 121.415 120.200 0.071 0.000 2.409 363 E HA 0.142 4.492 4.350 -0.000 0.000 0.259 363 E C -1.365 175.303 176.600 0.113 0.000 0.932 363 E CA -0.540 55.919 56.400 0.098 0.000 0.809 363 E CB 0.994 30.785 29.700 0.152 0.000 1.341 363 E HN -0.070 nan 8.360 nan 0.000 0.405 364 L N 3.946 125.220 121.223 0.084 0.000 2.540 364 L HA 0.058 4.398 4.340 -0.000 0.000 0.276 364 L C 0.247 177.167 176.870 0.084 0.000 1.212 364 L CA 0.720 55.610 54.840 0.083 0.000 0.893 364 L CB 0.551 42.638 42.059 0.046 0.000 1.138 364 L HN 0.558 nan 8.230 nan 0.000 0.491 365 D N 3.426 123.886 120.400 0.101 0.000 2.443 365 D HA -0.054 4.586 4.640 -0.000 0.000 0.239 365 D C 0.748 177.081 176.300 0.055 0.000 1.136 365 D CA 0.151 54.203 54.000 0.086 0.000 0.879 365 D CB 0.904 41.773 40.800 0.116 0.000 1.195 365 D HN 0.717 nan 8.370 nan 0.000 0.443 366 E N 1.658 121.884 120.200 0.043 0.000 2.110 366 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 366 E C 1.277 177.891 176.600 0.024 0.000 0.988 366 E CA 0.914 57.332 56.400 0.029 0.000 0.804 366 E CB 0.083 29.798 29.700 0.025 0.000 0.745 366 E HN 0.555 nan 8.360 nan 0.000 0.458 367 Q N -0.508 119.312 119.800 0.033 0.000 2.373 367 Q HA 0.129 4.469 4.340 -0.000 0.000 0.206 367 Q C 0.936 176.948 176.000 0.020 0.000 0.942 367 Q CA 0.241 56.062 55.803 0.030 0.000 0.953 367 Q CB 0.580 29.343 28.738 0.041 0.000 1.022 367 Q HN 0.151 nan 8.270 nan 0.000 0.502 368 A N 0.021 122.844 122.820 0.006 0.000 2.508 368 A HA 0.511 4.831 4.320 -0.000 0.000 0.257 368 A C 0.724 178.271 177.584 -0.062 0.000 1.226 368 A CA -0.188 51.819 52.037 -0.051 0.000 0.947 368 A CB 0.436 19.394 19.000 -0.069 0.000 1.079 368 A HN 0.278 nan 8.150 nan 0.000 0.531 369 A N -1.053 121.751 122.820 -0.026 0.000 2.366 369 A HA 0.488 4.808 4.320 -0.000 0.000 0.249 369 A C 1.541 179.109 177.584 -0.027 0.000 1.084 369 A CA 0.510 52.534 52.037 -0.022 0.000 0.794 369 A CB -0.421 18.576 19.000 -0.006 0.000 1.034 369 A HN 1.894 nan 8.150 nan 0.000 0.491 370 G N -0.696 108.089 108.800 -0.025 0.000 2.148 370 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.254 370 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.254 370 G C -0.117 174.761 174.900 -0.035 0.000 0.981 370 G CA 0.654 45.741 45.100 -0.022 0.000 0.670 370 G HN 0.806 nan 8.290 nan 0.000 0.528 371 L N -0.858 120.330 121.223 -0.059 0.000 2.323 371 L HA 0.538 4.878 4.340 -0.000 0.000 0.265 371 L C 0.100 176.918 176.870 -0.087 0.000 1.012 371 L CA -1.255 53.534 54.840 -0.084 0.000 0.820 371 L CB 1.870 43.853 42.059 -0.125 0.000 1.334 371 L HN 0.050 nan 8.230 nan 0.000 0.427 372 N N 2.018 120.664 118.700 -0.091 0.000 3.083 372 N HA 0.318 5.058 4.740 -0.000 0.000 0.260 372 N C -0.898 174.569 175.510 -0.072 0.000 1.163 372 N CA -0.145 52.865 53.050 -0.068 0.000 1.060 372 N CB -0.109 38.346 38.487 -0.053 0.000 1.345 372 N HN 0.408 nan 8.380 nan 0.000 0.515 373 I N 2.337 122.854 120.570 -0.089 0.000 2.322 373 I HA 0.122 4.292 4.170 -0.000 0.000 0.292 373 I C 0.028 176.140 176.117 -0.008 0.000 1.060 373 I CA -0.836 60.415 61.300 -0.082 0.000 1.309 373 I CB 0.914 38.811 38.000 -0.171 0.000 1.415 373 I HN 0.004 nan 8.210 nan 0.000 0.492 374 V N 6.104 126.039 119.914 0.036 0.000 2.479 374 V HA 0.019 4.139 4.120 -0.000 0.000 0.281 374 V C 1.284 177.414 176.094 0.061 0.000 1.031 374 V CA 0.232 62.563 62.300 0.051 0.000 1.038 374 V CB 0.825 32.691 31.823 0.072 0.000 0.981 374 V HN 0.904 nan 8.190 nan 0.000 0.478 375 T N 0.609 115.191 114.554 0.045 0.000 3.129 375 T HA 0.299 4.648 4.350 -0.000 0.000 0.267 375 T C 0.129 174.852 174.700 0.037 0.000 1.018 375 T CA -0.286 61.842 62.100 0.047 0.000 0.903 375 T CB -0.216 68.676 68.868 0.040 0.000 1.067 375 T HN 0.828 nan 8.240 nan 0.000 0.549 376 E N 0.239 120.462 120.200 0.037 0.000 2.321 376 E HA 0.378 4.728 4.350 -0.000 0.000 0.278 376 E C -1.425 175.202 176.600 0.043 0.000 0.902 376 E CA -1.063 55.356 56.400 0.031 0.000 0.758 376 E CB 0.931 30.644 29.700 0.022 0.000 1.213 376 E HN -0.094 nan 8.360 nan 0.000 0.426 377 T N 2.815 117.397 114.554 0.046 0.000 2.750 377 T HA 0.061 4.411 4.350 -0.000 0.000 0.277 377 T C -0.375 174.369 174.700 0.074 0.000 0.996 377 T CA 0.583 62.731 62.100 0.080 0.000 1.195 377 T CB -0.038 68.845 68.868 0.026 0.000 0.963 377 T HN 0.437 nan 8.240 nan 0.000 0.516 378 T N 4.419 119.038 114.554 0.107 0.000 2.809 378 T HA 0.240 4.590 4.350 -0.000 0.000 0.284 378 T C -0.294 174.472 174.700 0.111 0.000 0.992 378 T CA -0.964 61.183 62.100 0.078 0.000 0.957 378 T CB 1.122 70.019 68.868 0.048 0.000 0.942 378 T HN 0.448 nan 8.240 nan 0.000 0.439 379 D N 2.959 123.412 120.400 0.089 0.000 2.351 379 D HA 0.371 5.011 4.640 -0.000 0.000 0.251 379 D C 0.361 176.704 176.300 0.071 0.000 1.137 379 D CA 0.146 54.208 54.000 0.103 0.000 0.879 379 D CB 1.138 41.977 40.800 0.065 0.000 1.181 379 D HN 0.415 nan 8.370 nan 0.000 0.448 380 R N 1.216 121.760 120.500 0.072 0.000 2.644 380 R HA 0.070 4.410 4.340 -0.000 0.000 0.257 380 R C -1.278 175.044 176.300 0.038 0.000 1.082 380 R CA -0.559 55.566 56.100 0.042 0.000 0.927 380 R CB 1.211 31.526 30.300 0.025 0.000 1.258 380 R HN 0.252 nan 8.270 nan 0.000 0.459 381 E N 4.696 124.914 120.200 0.031 0.000 1.814 381 E HA 0.145 4.495 4.350 -0.000 0.000 0.264 381 E C -0.279 176.334 176.600 0.021 0.000 1.179 381 E CA -0.106 56.310 56.400 0.027 0.000 0.972 381 E CB 0.389 30.104 29.700 0.024 0.000 1.077 381 E HN 0.291 nan 8.360 nan 0.000 0.417 382 L N 1.507 122.739 121.223 0.015 0.000 2.417 382 L HA 0.121 4.461 4.340 -0.000 0.000 0.268 382 L C 1.195 178.078 176.870 0.022 0.000 1.158 382 L CA 0.096 54.947 54.840 0.018 0.000 0.819 382 L CB 0.846 42.906 42.059 0.002 0.000 1.112 382 L HN 0.423 nan 8.230 nan 0.000 0.458 383 T N -1.128 113.444 114.554 0.030 0.000 3.075 383 T HA 0.082 4.432 4.350 -0.000 0.000 0.251 383 T C 0.306 175.026 174.700 0.034 0.000 0.979 383 T CA 0.287 62.403 62.100 0.027 0.000 1.033 383 T CB 0.652 69.534 68.868 0.023 0.000 1.104 383 T HN 0.616 nan 8.240 nan 0.000 0.473 384 T N 2.847 117.428 114.554 0.045 0.000 2.841 384 T HA 0.685 5.035 4.350 -0.000 0.000 0.285 384 T C -0.786 173.957 174.700 0.071 0.000 0.991 384 T CA -0.705 61.427 62.100 0.053 0.000 0.966 384 T CB 2.085 70.985 68.868 0.053 0.000 0.962 384 T HN 0.214 nan 8.240 nan 0.000 0.438 385 V N 0.936 120.895 119.914 0.075 0.000 2.914 385 V HA 0.872 4.992 4.120 -0.000 0.000 0.314 385 V C -0.735 175.390 176.094 0.051 0.000 1.084 385 V CA -1.213 61.143 62.300 0.094 0.000 0.963 385 V CB 2.207 34.130 31.823 0.168 0.000 1.025 385 V HN 0.975 nan 8.190 nan 0.000 0.432 386 M N 2.839 122.438 119.600 -0.002 0.000 2.457 386 M HA 0.731 5.211 4.480 -0.000 0.000 0.300 386 M C -1.084 175.180 176.300 -0.061 0.000 1.141 386 M CA -0.254 55.043 55.300 -0.006 0.000 0.901 386 M CB 2.209 34.831 32.600 0.037 0.000 1.687 386 M HN 0.983 nan 8.290 nan 0.000 0.449 387 S N 3.162 118.840 115.700 -0.035 0.000 2.557 387 S HA 0.620 5.090 4.470 -0.000 0.000 0.291 387 S C -1.402 173.142 174.600 -0.094 0.000 1.116 387 S CA -0.750 57.414 58.200 -0.060 0.000 0.992 387 S CB 1.098 64.275 63.200 -0.039 0.000 1.028 387 S HN 0.836 nan 8.310 nan 0.000 0.484 388 N N 1.941 120.554 118.700 -0.146 0.000 2.405 388 N HA 0.585 5.325 4.740 -0.000 0.000 0.299 388 N C -1.394 173.800 175.510 -0.528 0.000 1.075 388 N CA -0.436 52.400 53.050 -0.357 0.000 0.884 388 N CB 1.934 40.200 38.487 -0.369 0.000 1.194 388 N HN 0.469 nan 8.380 nan 0.000 0.491 389 S N 1.268 116.474 115.700 -0.823 0.000 2.677 389 S HA 0.608 5.078 4.470 -0.000 0.000 0.283 389 S C -1.343 172.662 174.600 -0.992 0.000 1.159 389 S CA -0.583 57.202 58.200 -0.691 0.000 1.001 389 S CB 0.528 63.545 63.200 -0.305 0.000 1.032 389 S HN 0.295 nan 8.310 nan 0.000 0.487 390 F N 1.044 120.526 119.950 -0.779 0.000 2.551 390 F HA 0.845 5.372 4.527 -0.000 0.000 0.316 390 F C 0.736 176.327 175.800 -0.348 0.000 1.089 390 F CA -0.809 56.883 58.000 -0.514 0.000 0.915 390 F CB 1.969 40.673 39.000 -0.493 0.000 1.186 390 F HN 0.668 nan 8.300 nan 0.000 0.456 391 G N 1.012 109.874 108.800 0.104 0.000 2.658 391 G HA2 0.570 4.530 3.960 -0.000 0.000 0.292 391 G HA3 0.570 4.530 3.960 -0.000 0.000 0.292 391 G C -1.147 173.917 174.900 0.274 0.000 1.320 391 G CA -0.867 44.302 45.100 0.114 0.000 0.933 391 G HN 0.487 nan 8.290 nan 0.000 0.476 392 F N 0.004 120.033 119.950 0.132 0.000 2.589 392 F HA 0.276 4.803 4.527 -0.000 0.000 0.352 392 F C 1.703 177.556 175.800 0.089 0.000 1.168 392 F CA 1.270 59.338 58.000 0.113 0.000 1.353 392 F CB 0.824 39.903 39.000 0.132 0.000 1.116 392 F HN 0.884 nan 8.300 nan 0.000 0.608 393 G N 0.898 109.843 108.800 0.241 0.000 2.141 393 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.242 393 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.242 393 G C 0.687 175.653 174.900 0.110 0.000 0.982 393 G CA 0.142 45.326 45.100 0.139 0.000 0.662 393 G HN 1.768 nan 8.290 nan 0.000 0.527 394 G N -1.087 107.786 108.800 0.121 0.000 2.273 394 G HA2 0.045 4.005 3.960 -0.000 0.000 0.280 394 G HA3 0.045 4.005 3.960 -0.000 0.000 0.280 394 G C 0.429 175.391 174.900 0.102 0.000 1.047 394 G CA 1.431 46.580 45.100 0.083 0.000 0.869 394 G HN 1.982 nan 8.290 nan 0.000 0.502 395 T N 0.385 115.031 114.554 0.153 0.000 2.771 395 T HA 0.555 4.905 4.350 -0.000 0.000 0.291 395 T C 0.042 174.894 174.700 0.253 0.000 0.954 395 T CA -0.552 61.663 62.100 0.193 0.000 1.045 395 T CB 0.302 69.300 68.868 0.217 0.000 0.917 395 T HN 0.323 nan 8.240 nan 0.000 0.484 396 N N 2.934 121.796 118.700 0.270 0.000 2.269 396 N HA 0.696 5.436 4.740 -0.000 0.000 0.304 396 N C -1.284 174.325 175.510 0.165 0.000 1.072 396 N CA -0.622 52.608 53.050 0.301 0.000 0.802 396 N CB 2.125 40.800 38.487 0.313 0.000 1.348 396 N HN 0.746 nan 8.380 nan 0.000 0.484 397 A N 0.761 123.546 122.820 -0.057 0.000 2.422 397 A HA 0.780 5.100 4.320 -0.000 0.000 0.302 397 A C -0.834 176.671 177.584 -0.133 0.000 1.041 397 A CA -0.485 51.447 52.037 -0.175 0.000 0.708 397 A CB 1.398 20.056 19.000 -0.569 0.000 1.257 397 A HN 0.450 nan 8.150 nan 0.000 0.414 398 T N 2.255 116.801 114.554 -0.014 0.000 2.921 398 T HA 0.593 4.942 4.350 -0.000 0.000 0.297 398 T C -0.932 173.824 174.700 0.093 0.000 1.013 398 T CA -0.234 61.868 62.100 0.003 0.000 0.990 398 T CB 0.880 69.767 68.868 0.032 0.000 1.023 398 T HN 0.508 nan 8.240 nan 0.000 0.447 399 L N 2.679 123.934 121.223 0.053 0.000 2.365 399 L HA 0.811 5.151 4.340 -0.000 0.000 0.273 399 L C -0.837 176.064 176.870 0.051 0.000 1.000 399 L CA -1.161 53.722 54.840 0.073 0.000 0.819 399 L CB 2.103 44.170 42.059 0.013 0.000 1.284 399 L HN 0.329 nan 8.230 nan 0.000 0.418 400 V N 3.767 123.720 119.914 0.064 0.000 2.444 400 V HA 0.509 4.629 4.120 -0.000 0.000 0.294 400 V C -0.212 175.909 176.094 0.044 0.000 1.022 400 V CA -0.341 61.993 62.300 0.057 0.000 0.850 400 V CB 1.836 33.700 31.823 0.068 0.000 0.992 400 V HN 0.711 nan 8.190 nan 0.000 0.426 401 M N 5.136 124.758 119.600 0.038 0.000 2.383 401 M HA 0.671 5.151 4.480 -0.000 0.000 0.325 401 M C -0.514 175.807 176.300 0.035 0.000 1.092 401 M CA -0.395 54.922 55.300 0.029 0.000 0.961 401 M CB 2.505 35.117 32.600 0.021 0.000 1.672 401 M HN 0.562 nan 8.290 nan 0.000 0.438 402 R N 1.463 121.979 120.500 0.027 0.000 2.725 402 R HA 0.481 4.821 4.340 -0.000 0.000 0.277 402 R C -1.080 175.228 176.300 0.014 0.000 0.987 402 R CA -0.801 55.313 56.100 0.025 0.000 0.901 402 R CB 2.046 32.361 30.300 0.024 0.000 1.207 402 R HN 0.645 nan 8.270 nan 0.000 0.463 403 K N 1.972 122.379 120.400 0.011 0.000 2.380 403 K HA 0.028 4.348 4.320 -0.000 0.000 0.267 403 K C -0.402 176.191 176.600 -0.011 0.000 0.990 403 K CA -0.118 56.167 56.287 -0.003 0.000 0.946 403 K CB 0.414 32.912 32.500 -0.003 0.000 0.937 403 K HN 0.250 nan 8.250 nan 0.000 0.491 404 L N 3.106 124.313 121.223 -0.027 0.000 2.292 404 L HA 0.129 4.469 4.340 -0.000 0.000 0.284 404 L C -0.571 176.283 176.870 -0.027 0.000 1.065 404 L CA 0.029 54.852 54.840 -0.029 0.000 0.806 404 L CB 0.812 42.844 42.059 -0.045 0.000 1.175 404 L HN 0.386 nan 8.230 nan 0.000 0.431 405 K N 4.619 125.008 120.400 -0.018 0.000 2.404 405 K HA -0.020 4.300 4.320 -0.000 0.000 0.271 405 K C 0.149 176.737 176.600 -0.020 0.000 1.130 405 K CA 0.969 57.247 56.287 -0.015 0.000 1.181 405 K CB -0.669 31.824 32.500 -0.011 0.000 0.840 405 K HN 0.918 nan 8.250 nan 0.000 0.483 406 D N 0.000 120.388 120.400 -0.019 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.987 54.000 -0.021 0.000 0.868 406 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683