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 1h4f_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATRAM 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 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 K N 2.090 122.496 120.400 0.010 0.000 2.382 2 K HA 0.365 4.685 4.320 -0.000 0.000 0.275 2 K C 0.000 176.602 176.600 0.003 0.000 1.009 2 K CA 0.251 56.541 56.287 0.004 0.000 0.970 2 K CB 0.834 33.334 32.500 -0.000 0.000 0.934 2 K HN 0.256 nan 8.250 nan 0.000 0.479 3 R N 0.782 121.282 120.500 -0.001 0.000 2.540 3 R HA 0.447 4.787 4.340 -0.000 0.000 0.287 3 R C -0.709 175.582 176.300 -0.014 0.000 0.980 3 R CA -0.614 55.484 56.100 -0.003 0.000 0.966 3 R CB 1.675 31.974 30.300 -0.003 0.000 1.106 3 R HN 0.617 nan 8.270 nan 0.000 0.480 4 A N 2.303 125.112 122.820 -0.018 0.000 2.331 4 A HA 0.611 4.931 4.320 -0.000 0.000 0.320 4 A C -0.395 177.168 177.584 -0.035 0.000 1.138 4 A CA -0.673 51.342 52.037 -0.036 0.000 0.790 4 A CB 1.029 20.000 19.000 -0.048 0.000 1.206 4 A HN 0.525 nan 8.150 nan 0.000 0.470 5 V N 0.189 120.078 119.914 -0.041 0.000 3.046 5 V HA 0.714 4.834 4.120 -0.000 0.000 0.316 5 V C -0.524 175.549 176.094 -0.036 0.000 1.104 5 V CA -1.088 61.191 62.300 -0.034 0.000 1.006 5 V CB 1.743 33.545 31.823 -0.035 0.000 1.058 5 V HN 0.629 nan 8.190 nan 0.000 0.440 6 I N 2.810 123.377 120.570 -0.004 0.000 2.321 6 I HA 0.423 4.592 4.170 -0.000 0.000 0.291 6 I C 1.061 177.251 176.117 0.122 0.000 0.998 6 I CA 0.240 61.555 61.300 0.025 0.000 1.227 6 I CB 1.409 39.420 38.000 0.018 0.000 1.368 6 I HN 1.061 nan 8.210 nan 0.000 0.466 7 T N 1.092 115.704 114.554 0.096 0.000 3.040 7 T HA 0.455 4.805 4.350 -0.000 0.000 0.266 7 T C 0.490 175.330 174.700 0.233 0.000 1.005 7 T CA -0.328 61.841 62.100 0.116 0.000 0.906 7 T CB 0.537 69.416 68.868 0.018 0.000 1.082 7 T HN 0.743 nan 8.240 nan 0.000 0.531 8 G N 1.411 110.364 108.800 0.255 0.000 2.702 8 G HA2 0.559 4.519 3.960 -0.000 0.000 0.296 8 G HA3 0.559 4.519 3.960 -0.000 0.000 0.296 8 G C -1.890 173.054 174.900 0.074 0.000 1.463 8 G CA -0.932 44.316 45.100 0.246 0.000 0.890 8 G HN 0.618 nan 8.290 nan 0.000 0.534 9 L N -0.804 120.435 121.223 0.027 0.000 2.409 9 L HA 1.085 5.425 4.340 -0.000 0.000 0.255 9 L C 0.032 176.875 176.870 -0.045 0.000 1.027 9 L CA -0.995 53.791 54.840 -0.091 0.000 0.834 9 L CB 1.920 43.824 42.059 -0.259 0.000 1.426 9 L HN 1.223 nan 8.230 nan 0.000 0.411 10 G N 0.397 109.160 108.800 -0.061 0.000 2.733 10 G HA2 0.736 4.696 3.960 -0.000 0.000 0.297 10 G HA3 0.736 4.696 3.960 -0.000 0.000 0.297 10 G C -2.116 172.757 174.900 -0.044 0.000 1.422 10 G CA -0.554 44.523 45.100 -0.039 0.000 0.942 10 G HN 1.052 nan 8.290 nan 0.000 0.510 11 I N 0.517 121.074 120.570 -0.021 0.000 2.842 11 I HA 0.642 4.812 4.170 -0.000 0.000 0.297 11 I C -1.617 174.495 176.117 -0.007 0.000 1.380 11 I CA -0.932 60.354 61.300 -0.023 0.000 1.018 11 I CB 2.320 40.304 38.000 -0.027 0.000 1.311 11 I HN 0.382 nan 8.210 nan 0.000 0.439 12 V N 6.349 126.246 119.914 -0.029 0.000 2.462 12 V HA 0.597 4.717 4.120 -0.000 0.000 0.288 12 V C -0.345 175.667 176.094 -0.137 0.000 1.020 12 V CA -0.142 62.117 62.300 -0.069 0.000 0.857 12 V CB 1.307 33.095 31.823 -0.058 0.000 1.013 12 V HN 0.842 nan 8.190 nan 0.000 0.431 13 S N 2.261 117.906 115.700 -0.092 0.000 2.732 13 S HA 0.457 4.927 4.470 -0.000 0.000 0.293 13 S C 1.109 175.655 174.600 -0.090 0.000 1.159 13 S CA 0.080 58.230 58.200 -0.082 0.000 0.847 13 S CB 1.760 65.001 63.200 0.068 0.000 1.169 13 S HN 0.895 nan 8.310 nan 0.000 0.501 14 S N 0.283 115.936 115.700 -0.078 0.000 2.469 14 S HA -0.076 4.394 4.470 -0.000 0.000 0.238 14 S C 1.370 175.945 174.600 -0.042 0.000 0.998 14 S CA 1.048 59.204 58.200 -0.073 0.000 0.957 14 S CB -1.150 62.019 63.200 -0.053 0.000 0.764 14 S HN 1.037 nan 8.310 nan 0.000 0.514 15 I N -2.811 117.741 120.570 -0.029 0.000 3.974 15 I HA 0.681 4.851 4.170 -0.000 0.000 0.334 15 I C 0.504 176.604 176.117 -0.028 0.000 1.437 15 I CA -0.455 60.820 61.300 -0.042 0.000 1.113 15 I CB 0.332 38.277 38.000 -0.091 0.000 1.063 15 I HN 0.265 nan 8.210 nan 0.000 0.400 16 G N 1.072 109.863 108.800 -0.014 0.000 2.378 16 G HA2 0.046 4.006 3.960 -0.000 0.000 0.302 16 G HA3 0.046 4.006 3.960 -0.000 0.000 0.302 16 G C -0.841 174.057 174.900 -0.004 0.000 1.669 16 G CA -0.643 44.453 45.100 -0.006 0.000 0.920 16 G HN 0.003 nan 8.290 nan 0.000 0.697 17 N N 0.181 118.879 118.700 -0.004 0.000 2.322 17 N HA 0.100 4.840 4.740 -0.000 0.000 0.194 17 N C 0.355 175.873 175.510 0.014 0.000 1.126 17 N CA 0.654 53.703 53.050 -0.000 0.000 0.845 17 N CB 0.286 38.775 38.487 0.003 0.000 0.976 17 N HN 0.829 nan 8.380 nan 0.000 0.475 18 N N -1.748 116.963 118.700 0.017 0.000 3.185 18 N HA -0.025 4.715 4.740 -0.000 0.000 0.238 18 N C 0.385 175.914 175.510 0.031 0.000 1.451 18 N CA -0.680 52.384 53.050 0.023 0.000 0.888 18 N CB 0.516 39.017 38.487 0.023 0.000 1.413 18 N HN -0.151 nan 8.380 nan 0.000 0.511 19 Q N -1.141 118.683 119.800 0.039 0.000 2.226 19 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 19 Q C 0.731 176.753 176.000 0.036 0.000 0.975 19 Q CA 1.528 57.364 55.803 0.055 0.000 0.866 19 Q CB -0.276 28.507 28.738 0.074 0.000 0.915 19 Q HN 0.626 nan 8.270 nan 0.000 0.440 20 Q N 1.235 121.045 119.800 0.016 0.000 2.046 20 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 20 Q C 1.774 177.754 176.000 -0.034 0.000 0.975 20 Q CA 1.929 57.720 55.803 -0.020 0.000 0.836 20 Q CB 0.053 28.782 28.738 -0.016 0.000 0.896 20 Q HN 0.578 nan 8.270 nan 0.000 0.428 21 E N -0.551 119.640 120.200 -0.016 0.000 2.110 21 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 21 E C 1.950 178.535 176.600 -0.026 0.000 0.988 21 E CA 1.240 57.626 56.400 -0.024 0.000 0.804 21 E CB -0.010 29.682 29.700 -0.012 0.000 0.745 21 E HN 0.105 nan 8.360 nan 0.000 0.458 22 V N 1.509 121.425 119.914 0.002 0.000 2.343 22 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 22 V C 2.302 178.392 176.094 -0.006 0.000 1.051 22 V CA 1.430 63.740 62.300 0.018 0.000 1.036 22 V CB -0.395 31.499 31.823 0.119 0.000 0.654 22 V HN 0.235 nan 8.190 nan 0.000 0.451 23 L N 1.161 122.377 121.223 -0.011 0.000 2.012 23 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 23 L C 2.465 179.244 176.870 -0.152 0.000 1.073 23 L CA 2.565 57.368 54.840 -0.062 0.000 0.748 23 L CB -1.069 40.884 42.059 -0.177 0.000 0.891 23 L HN 0.214 nan 8.230 nan 0.000 0.431 24 A N -1.224 121.510 122.820 -0.143 0.000 1.883 24 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 24 A C 2.399 179.907 177.584 -0.126 0.000 1.186 24 A CA 2.259 54.206 52.037 -0.149 0.000 0.624 24 A CB -1.165 17.771 19.000 -0.106 0.000 0.822 24 A HN 0.578 nan 8.150 nan 0.000 0.444 25 S N -0.180 115.464 115.700 -0.094 0.000 2.359 25 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 25 S C 1.857 176.403 174.600 -0.091 0.000 1.035 25 S CA 1.549 59.697 58.200 -0.087 0.000 1.018 25 S CB -0.522 62.626 63.200 -0.088 0.000 0.876 25 S HN 0.504 nan 8.310 nan 0.000 0.448 26 L N 0.825 121.999 121.223 -0.081 0.000 2.012 26 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 26 L C 2.762 179.647 176.870 0.025 0.000 1.073 26 L CA 1.400 56.237 54.840 -0.004 0.000 0.748 26 L CB -0.448 41.699 42.059 0.146 0.000 0.891 26 L HN 0.222 nan 8.230 nan 0.000 0.431 27 R N -0.042 120.364 120.500 -0.157 0.000 2.115 27 R HA -0.142 4.198 4.340 -0.000 0.000 0.230 27 R C 1.860 178.080 176.300 -0.134 0.000 1.111 27 R CA 1.186 57.120 56.100 -0.277 0.000 0.976 27 R CB -0.081 29.911 30.300 -0.514 0.000 0.870 27 R HN 0.484 nan 8.270 nan 0.000 0.445 28 E N -0.850 119.285 120.200 -0.108 0.000 2.478 28 E HA 0.070 4.420 4.350 -0.000 0.000 0.194 28 E C 0.604 177.177 176.600 -0.045 0.000 1.045 28 E CA 0.297 56.654 56.400 -0.073 0.000 0.868 28 E CB 0.603 30.260 29.700 -0.072 0.000 0.885 28 E HN 0.440 nan 8.360 nan 0.000 0.505 29 G N 2.814 111.592 108.800 -0.037 0.000 2.273 29 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.280 29 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.280 29 G C 0.039 174.919 174.900 -0.034 0.000 1.047 29 G CA 0.471 45.555 45.100 -0.027 0.000 0.869 29 G HN 0.217 nan 8.290 nan 0.000 0.502 30 R N 0.327 120.799 120.500 -0.046 0.000 2.265 30 R HA 0.509 4.849 4.340 -0.000 0.000 0.314 30 R C 0.831 177.107 176.300 -0.040 0.000 1.053 30 R CA 0.242 56.319 56.100 -0.039 0.000 0.931 30 R CB 0.563 30.838 30.300 -0.042 0.000 1.024 30 R HN 0.265 nan 8.270 nan 0.000 0.457 31 S N 2.146 117.833 115.700 -0.021 0.000 2.565 31 S HA 0.243 4.713 4.470 -0.000 0.000 0.276 31 S C 0.869 175.468 174.600 -0.002 0.000 1.326 31 S CA -0.195 57.998 58.200 -0.012 0.000 1.045 31 S CB 1.180 64.383 63.200 0.005 0.000 0.918 31 S HN 0.805 nan 8.310 nan 0.000 0.505 32 G N 4.002 112.803 108.800 0.001 0.000 3.393 32 G HA2 0.249 4.209 3.960 -0.000 0.000 0.255 32 G HA3 0.249 4.209 3.960 -0.000 0.000 0.255 32 G C 0.080 175.011 174.900 0.050 0.000 1.097 32 G CA -0.276 44.831 45.100 0.011 0.000 0.780 32 G HN 0.607 nan 8.290 nan 0.000 0.540 33 I N 2.589 123.202 120.570 0.072 0.000 2.428 33 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 33 I C 0.616 176.833 176.117 0.165 0.000 1.019 33 I CA -0.256 61.121 61.300 0.128 0.000 1.351 33 I CB 0.624 38.692 38.000 0.113 0.000 1.412 33 I HN 0.080 nan 8.210 nan 0.000 0.513 34 T N 2.550 117.256 114.554 0.254 0.000 2.865 34 T HA 0.521 4.871 4.350 -0.000 0.000 0.294 34 T C -0.498 174.353 174.700 0.252 0.000 1.119 34 T CA -0.738 61.520 62.100 0.263 0.000 1.007 34 T CB 1.795 70.834 68.868 0.286 0.000 1.225 34 T HN 0.215 nan 8.240 nan 0.000 0.515 35 F N 1.631 121.634 119.950 0.088 0.000 2.471 35 F HA 0.540 5.067 4.527 -0.000 0.000 0.353 35 F C 0.478 176.207 175.800 -0.117 0.000 1.113 35 F CA -0.039 57.961 58.000 0.001 0.000 1.262 35 F CB 0.864 39.871 39.000 0.011 0.000 1.146 35 F HN 0.684 nan 8.300 nan 0.000 0.578 36 S N 4.768 119.636 115.700 -1.388 0.000 2.640 36 S HA 0.200 4.670 4.470 -0.000 0.000 0.320 36 S C 0.454 174.288 174.600 -1.277 0.000 1.097 36 S CA -0.672 56.725 58.200 -1.339 0.000 1.092 36 S CB 1.346 63.267 63.200 -2.132 0.000 0.988 36 S HN 0.875 nan 8.310 nan 0.000 0.470 37 Q N 3.363 122.777 119.800 -0.644 0.000 2.167 37 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 37 Q C 1.777 177.567 176.000 -0.349 0.000 0.970 37 Q CA 2.204 57.822 55.803 -0.307 0.000 0.855 37 Q CB -0.133 28.609 28.738 0.007 0.000 0.911 37 Q HN 0.915 nan 8.270 nan 0.000 0.438 38 E N -0.499 119.485 120.200 -0.360 0.000 2.077 38 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 38 E C 1.758 178.183 176.600 -0.290 0.000 0.989 38 E CA 1.239 57.502 56.400 -0.229 0.000 0.800 38 E CB -0.170 29.518 29.700 -0.021 0.000 0.746 38 E HN 0.454 nan 8.360 nan 0.000 0.452 39 L N 0.625 121.554 121.223 -0.488 0.000 2.027 39 L HA -0.160 4.179 4.340 -0.000 0.000 0.206 39 L C 2.892 179.581 176.870 -0.300 0.000 1.074 39 L CA 1.566 56.228 54.840 -0.297 0.000 0.745 39 L CB -0.587 41.268 42.059 -0.340 0.000 0.898 39 L HN 0.167 nan 8.230 nan 0.000 0.433 40 K N 0.371 120.454 120.400 -0.529 0.000 2.032 40 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 40 K C 1.674 178.049 176.600 -0.375 0.000 1.048 40 K CA 1.952 57.824 56.287 -0.692 0.000 0.927 40 K CB -0.012 31.996 32.500 -0.820 0.000 0.712 40 K HN 0.206 nan 8.250 nan 0.000 0.441 41 D N 0.154 120.370 120.400 -0.308 0.000 2.218 41 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 41 D C 1.884 178.000 176.300 -0.308 0.000 0.976 41 D CA 1.461 55.311 54.000 -0.250 0.000 0.853 41 D CB -0.165 40.511 40.800 -0.207 0.000 0.939 41 D HN 0.369 nan 8.370 nan 0.000 0.481 42 S N -0.782 114.690 115.700 -0.379 0.000 2.507 42 S HA 0.098 4.568 4.470 -0.000 0.000 0.235 42 S C 1.760 176.165 174.600 -0.324 0.000 0.988 42 S CA 1.044 58.916 58.200 -0.545 0.000 0.944 42 S CB 0.087 62.944 63.200 -0.571 0.000 0.762 42 S HN 0.333 nan 8.310 nan 0.000 0.526 43 G N 0.403 109.089 108.800 -0.191 0.000 2.163 43 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.213 43 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.213 43 G C 0.013 174.911 174.900 -0.004 0.000 0.991 43 G CA 0.068 45.112 45.100 -0.094 0.000 0.653 43 G HN 0.483 nan 8.290 nan 0.000 0.518 44 M N -0.531 119.085 119.600 0.028 0.000 2.202 44 M HA 0.431 4.911 4.480 -0.000 0.000 0.316 44 M C 1.840 178.245 176.300 0.176 0.000 1.138 44 M CA 0.025 55.384 55.300 0.098 0.000 1.151 44 M CB 0.551 33.218 32.600 0.113 0.000 1.422 44 M HN 0.142 nan 8.290 nan 0.000 0.471 45 R N -0.455 120.085 120.500 0.067 0.000 2.189 45 R HA 0.115 4.455 4.340 -0.000 0.000 0.203 45 R C 0.461 176.582 176.300 -0.298 0.000 1.012 45 R CA 0.174 56.236 56.100 -0.063 0.000 1.015 45 R CB 0.277 30.545 30.300 -0.055 0.000 0.938 45 R HN 0.559 nan 8.270 nan 0.000 0.472 46 S N 0.537 116.170 115.700 -0.113 0.000 2.465 46 S HA 0.105 4.575 4.470 -0.000 0.000 0.279 46 S C -0.128 174.464 174.600 -0.013 0.000 1.201 46 S CA -0.473 57.655 58.200 -0.119 0.000 1.053 46 S CB 0.237 63.409 63.200 -0.048 0.000 0.953 46 S HN 0.343 nan 8.310 nan 0.000 0.488 47 H N 2.873 121.875 119.070 -0.114 0.000 2.475 47 H HA 0.343 4.899 4.556 -0.000 0.000 0.276 47 H C -0.137 174.947 175.328 -0.406 0.000 1.126 47 H CA -0.650 55.212 56.048 -0.309 0.000 1.023 47 H CB 0.501 30.131 29.762 -0.220 0.000 1.669 47 H HN 0.446 nan 8.280 nan 0.000 0.573 48 V N -1.727 118.122 119.914 -0.108 0.000 2.962 48 V HA 0.638 4.758 4.120 -0.000 0.000 0.313 48 V C -1.333 174.824 176.094 0.104 0.000 1.099 48 V CA -0.972 61.304 62.300 -0.040 0.000 0.971 48 V CB 2.195 34.073 31.823 0.092 0.000 1.028 48 V HN 0.394 nan 8.190 nan 0.000 0.430 49 W N 0.907 122.215 121.300 0.014 0.000 3.146 49 W HA 0.810 5.470 4.660 -0.000 0.000 0.319 49 W C -0.315 176.222 176.519 0.030 0.000 1.258 49 W CA -1.710 55.650 57.345 0.026 0.000 1.189 49 W CB 0.864 30.335 29.460 0.018 0.000 1.412 49 W HN 1.031 nan 8.180 nan 0.000 0.567 50 G N 2.080 110.991 108.800 0.184 0.000 2.857 50 G HA2 0.389 4.349 3.960 -0.000 0.000 0.326 50 G HA3 0.389 4.349 3.960 -0.000 0.000 0.326 50 G C -0.441 174.347 174.900 -0.188 0.000 0.950 50 G CA -0.776 44.340 45.100 0.026 0.000 1.400 50 G HN 0.611 nan 8.290 nan 0.000 0.473 51 N N 0.112 118.615 118.700 -0.329 0.000 2.515 51 N HA 0.405 5.145 4.740 -0.000 0.000 0.279 51 N C -0.351 174.978 175.510 -0.302 0.000 1.164 51 N CA -0.860 51.865 53.050 -0.541 0.000 0.982 51 N CB 2.025 40.079 38.487 -0.721 0.000 1.170 51 N HN -0.006 nan 8.380 nan 0.000 0.474 52 V N 1.334 121.046 119.914 -0.336 0.000 2.455 52 V HA 0.051 4.171 4.120 -0.000 0.000 0.273 52 V C 0.236 176.245 176.094 -0.140 0.000 1.045 52 V CA -0.292 61.842 62.300 -0.277 0.000 0.976 52 V CB 0.433 31.972 31.823 -0.473 0.000 0.993 52 V HN 0.710 nan 8.190 nan 0.000 0.475 53 K N 5.825 126.175 120.400 -0.084 0.000 2.222 53 K HA 0.567 4.887 4.320 -0.000 0.000 0.243 53 K C -0.889 175.706 176.600 -0.008 0.000 1.160 53 K CA -0.166 56.105 56.287 -0.027 0.000 1.090 53 K CB 0.316 32.810 32.500 -0.010 0.000 1.694 53 K HN 0.422 nan 8.250 nan 0.000 0.361 54 L N 0.504 121.732 121.223 0.008 0.000 2.643 54 L HA 0.296 4.636 4.340 -0.000 0.000 0.257 54 L C -2.044 174.855 176.870 0.050 0.000 0.922 54 L CA -0.542 54.315 54.840 0.028 0.000 0.909 54 L CB 2.006 44.083 42.059 0.029 0.000 1.424 54 L HN 0.207 nan 8.230 nan 0.000 0.422 55 D N 2.047 122.473 120.400 0.043 0.000 2.313 55 D HA 0.302 4.942 4.640 -0.000 0.000 0.239 55 D C 0.838 177.164 176.300 0.043 0.000 1.142 55 D CA 0.436 54.461 54.000 0.043 0.000 0.847 55 D CB 1.640 42.459 40.800 0.032 0.000 1.082 55 D HN 0.728 nan 8.370 nan 0.000 0.480 56 T N -0.065 114.518 114.554 0.048 0.000 3.129 56 T HA 0.032 4.382 4.350 -0.000 0.000 0.251 56 T C 0.829 175.528 174.700 -0.002 0.000 1.117 56 T CA -0.233 61.890 62.100 0.037 0.000 1.034 56 T CB -0.363 68.533 68.868 0.046 0.000 0.968 56 T HN 0.227 nan 8.240 nan 0.000 0.526 57 T N 2.488 117.039 114.554 -0.005 0.000 2.908 57 T HA 0.394 4.744 4.350 -0.000 0.000 0.301 57 T C 1.540 176.225 174.700 -0.025 0.000 1.019 57 T CA 0.916 63.002 62.100 -0.024 0.000 1.152 57 T CB 0.030 68.889 68.868 -0.015 0.000 0.966 57 T HN 0.737 nan 8.240 nan 0.000 0.540 58 G N 2.665 111.438 108.800 -0.046 0.000 2.189 58 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 58 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 58 G C 0.822 175.704 174.900 -0.030 0.000 0.975 58 G CA 0.405 45.480 45.100 -0.042 0.000 0.644 58 G HN 0.705 nan 8.290 nan 0.000 0.537 59 L N -0.495 120.714 121.223 -0.023 0.000 2.492 59 L HA 0.389 4.729 4.340 -0.000 0.000 0.223 59 L C 1.163 178.032 176.870 -0.002 0.000 1.132 59 L CA 0.548 55.394 54.840 0.010 0.000 0.850 59 L CB 0.038 42.123 42.059 0.042 0.000 0.966 59 L HN 0.282 nan 8.230 nan 0.000 0.454 60 I N -1.009 119.507 120.570 -0.091 0.000 2.545 60 I HA 0.199 4.369 4.170 -0.000 0.000 0.292 60 I C -0.679 175.329 176.117 -0.182 0.000 1.040 60 I CA -1.039 60.140 61.300 -0.202 0.000 1.068 60 I CB 2.009 39.732 38.000 -0.461 0.000 1.251 60 I HN -0.164 nan 8.210 nan 0.000 0.424 61 D N 5.133 125.441 120.400 -0.154 0.000 2.583 61 D HA -0.066 4.574 4.640 -0.000 0.000 0.232 61 D C 1.272 177.480 176.300 -0.154 0.000 1.128 61 D CA 0.223 54.152 54.000 -0.119 0.000 0.859 61 D CB 0.908 41.656 40.800 -0.087 0.000 1.169 61 D HN 0.428 nan 8.370 nan 0.000 0.481 62 R N 3.379 123.801 120.500 -0.130 0.000 2.119 62 R HA -0.203 4.137 4.340 -0.000 0.000 0.246 62 R C 1.103 177.291 176.300 -0.186 0.000 1.146 62 R CA 1.512 57.517 56.100 -0.158 0.000 0.962 62 R CB 0.002 30.229 30.300 -0.123 0.000 0.863 62 R HN 0.413 nan 8.270 nan 0.000 0.442 63 K N -0.111 120.215 120.400 -0.125 0.000 2.432 63 K HA 0.004 4.324 4.320 -0.000 0.000 0.196 63 K C 1.810 178.402 176.600 -0.014 0.000 1.038 63 K CA 0.575 56.809 56.287 -0.088 0.000 0.986 63 K CB 0.367 32.859 32.500 -0.013 0.000 0.782 63 K HN 0.067 nan 8.250 nan 0.000 0.485 64 V N -0.230 119.638 119.914 -0.077 0.000 2.581 64 V HA -0.090 4.030 4.120 -0.000 0.000 0.240 64 V C 1.870 177.886 176.094 -0.130 0.000 1.054 64 V CA 0.720 62.988 62.300 -0.052 0.000 1.076 64 V CB 0.371 32.077 31.823 -0.195 0.000 0.748 64 V HN 0.019 nan 8.190 nan 0.000 0.474 65 V N 2.421 122.170 119.914 -0.275 0.000 2.913 65 V HA -0.201 3.919 4.120 -0.000 0.000 0.260 65 V C 2.759 178.636 176.094 -0.362 0.000 1.098 65 V CA 2.122 64.231 62.300 -0.318 0.000 1.121 65 V CB -0.670 30.967 31.823 -0.310 0.000 0.714 65 V HN 0.701 nan 8.190 nan 0.000 0.487 66 R N -0.954 119.256 120.500 -0.483 0.000 2.193 66 R HA -0.142 4.198 4.340 -0.000 0.000 0.229 66 R C 1.830 177.551 176.300 -0.965 0.000 1.110 66 R CA 2.086 57.673 56.100 -0.855 0.000 0.988 66 R CB -0.712 28.854 30.300 -1.223 0.000 0.871 66 R HN 0.499 nan 8.270 nan 0.000 0.458 67 F N 0.942 120.645 119.950 -0.411 0.000 2.776 67 F HA 0.316 4.843 4.527 -0.000 0.000 0.300 67 F C 0.880 176.530 175.800 -0.249 0.000 1.116 67 F CA -0.131 57.732 58.000 -0.229 0.000 1.375 67 F CB 0.170 39.105 39.000 -0.109 0.000 1.109 67 F HN -0.118 nan 8.300 nan 0.000 0.585 68 M N 0.096 119.590 119.600 -0.176 0.000 2.318 68 M HA 0.298 4.778 4.480 -0.000 0.000 0.347 68 M C 0.475 176.587 176.300 -0.314 0.000 1.175 68 M CA -0.623 54.556 55.300 -0.201 0.000 1.075 68 M CB 1.546 34.032 32.600 -0.190 0.000 1.614 68 M HN -0.010 nan 8.290 nan 0.000 0.456 69 S N 0.175 115.731 115.700 -0.240 0.000 2.713 69 S HA 0.298 4.768 4.470 -0.000 0.000 0.277 69 S C 0.389 174.897 174.600 -0.154 0.000 1.168 69 S CA -0.742 57.355 58.200 -0.171 0.000 0.994 69 S CB 0.897 64.096 63.200 -0.001 0.000 1.054 69 S HN 0.672 nan 8.310 nan 0.000 0.555 70 D N 0.880 121.194 120.400 -0.142 0.000 2.178 70 D HA -0.009 4.631 4.640 -0.000 0.000 0.201 70 D C 2.123 178.088 176.300 -0.559 0.000 0.980 70 D CA 1.611 55.338 54.000 -0.455 0.000 0.842 70 D CB -0.810 39.724 40.800 -0.442 0.000 0.948 70 D HN 0.659 nan 8.370 nan 0.000 0.472 71 A N 0.420 123.124 122.820 -0.194 0.000 1.902 71 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 71 A C 2.435 180.004 177.584 -0.025 0.000 1.181 71 A CA 1.742 53.757 52.037 -0.036 0.000 0.623 71 A CB -0.483 18.542 19.000 0.042 0.000 0.818 71 A HN 0.164 nan 8.150 nan 0.000 0.443 72 S N -0.239 115.432 115.700 -0.049 0.000 2.383 72 S HA -0.061 4.409 4.470 -0.000 0.000 0.227 72 S C 1.792 176.405 174.600 0.022 0.000 1.026 72 S CA 1.282 59.488 58.200 0.011 0.000 0.981 72 S CB -0.446 62.750 63.200 -0.007 0.000 0.818 72 S HN 0.538 nan 8.310 nan 0.000 0.472 73 I N 0.441 120.937 120.570 -0.124 0.000 2.179 73 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 73 I C 2.064 178.228 176.117 0.078 0.000 1.088 73 I CA 1.346 62.583 61.300 -0.107 0.000 1.357 73 I CB -0.435 37.405 38.000 -0.267 0.000 1.051 73 I HN 0.257 nan 8.210 nan 0.000 0.409 74 Y N 0.844 121.182 120.300 0.064 0.000 2.181 74 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 74 Y C 2.662 178.608 175.900 0.076 0.000 1.146 74 Y CA 0.801 58.934 58.100 0.055 0.000 1.164 74 Y CB -1.387 37.084 38.460 0.018 0.000 0.982 74 Y HN 0.131 nan 8.280 nan 0.000 0.515 75 A N -0.499 122.463 122.820 0.236 0.000 1.898 75 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 75 A C 2.218 179.908 177.584 0.177 0.000 1.181 75 A CA 1.306 53.438 52.037 0.159 0.000 0.620 75 A CB -1.318 17.757 19.000 0.125 0.000 0.819 75 A HN 0.449 nan 8.150 nan 0.000 0.442 76 F N 0.677 120.686 119.950 0.097 0.000 2.075 76 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 76 F C 1.958 177.854 175.800 0.159 0.000 1.113 76 F CA 1.826 59.930 58.000 0.173 0.000 1.218 76 F CB -0.210 38.861 39.000 0.118 0.000 0.984 76 F HN 0.133 nan 8.300 nan 0.000 0.472 77 L N -0.507 120.971 121.223 0.426 0.000 2.079 77 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 77 L C 2.499 179.432 176.870 0.105 0.000 1.081 77 L CA 1.467 56.469 54.840 0.270 0.000 0.752 77 L CB -0.971 41.235 42.059 0.245 0.000 0.896 77 L HN 0.141 nan 8.230 nan 0.000 0.433 78 S N -0.482 115.266 115.700 0.079 0.000 2.368 78 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 78 S C 1.922 176.468 174.600 -0.090 0.000 1.029 78 S CA 1.462 59.663 58.200 0.002 0.000 0.988 78 S CB -0.187 63.017 63.200 0.008 0.000 0.838 78 S HN 0.365 nan 8.310 nan 0.000 0.462 79 M N 1.391 120.883 119.600 -0.180 0.000 2.229 79 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 79 M C 1.846 177.858 176.300 -0.481 0.000 1.063 79 M CA 1.328 56.368 55.300 -0.433 0.000 1.114 79 M CB -0.136 32.001 32.600 -0.773 0.000 1.387 79 M HN 0.250 nan 8.290 nan 0.000 0.420 80 E N -0.103 119.926 120.200 -0.285 0.000 2.077 80 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 80 E C 2.020 178.560 176.600 -0.100 0.000 0.989 80 E CA 1.580 57.893 56.400 -0.144 0.000 0.800 80 E CB -0.193 29.509 29.700 0.003 0.000 0.746 80 E HN 0.689 nan 8.360 nan 0.000 0.452 81 Q N 0.313 120.075 119.800 -0.064 0.000 2.050 81 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 81 Q C 2.284 178.263 176.000 -0.034 0.000 0.980 81 Q CA 1.293 57.081 55.803 -0.025 0.000 0.840 81 Q CB -0.197 28.538 28.738 -0.005 0.000 0.898 81 Q HN 0.231 nan 8.270 nan 0.000 0.424 82 A N 1.019 123.796 122.820 -0.071 0.000 1.883 82 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 82 A C 2.065 179.636 177.584 -0.021 0.000 1.186 82 A CA 1.339 53.355 52.037 -0.035 0.000 0.624 82 A CB -0.725 18.253 19.000 -0.038 0.000 0.822 82 A HN 0.315 nan 8.150 nan 0.000 0.444 83 I N -0.354 120.140 120.570 -0.127 0.000 2.179 83 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 83 I C 2.966 179.066 176.117 -0.030 0.000 1.088 83 I CA 1.158 62.374 61.300 -0.140 0.000 1.357 83 I CB -0.277 37.486 38.000 -0.395 0.000 1.051 83 I HN 0.369 nan 8.210 nan 0.000 0.409 84 A N 0.067 122.878 122.820 -0.016 0.000 1.898 84 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 84 A C 2.006 179.615 177.584 0.041 0.000 1.181 84 A CA 2.186 54.238 52.037 0.025 0.000 0.620 84 A CB -0.674 18.341 19.000 0.026 0.000 0.819 84 A HN 0.430 nan 8.150 nan 0.000 0.442 85 D N -0.064 120.366 120.400 0.050 0.000 2.144 85 D HA -0.021 4.619 4.640 -0.000 0.000 0.199 85 D C 1.865 178.230 176.300 0.108 0.000 0.984 85 D CA 1.471 55.526 54.000 0.092 0.000 0.834 85 D CB -0.183 40.697 40.800 0.132 0.000 0.955 85 D HN 0.331 nan 8.370 nan 0.000 0.465 86 A N -0.695 122.180 122.820 0.092 0.000 2.167 86 A HA 0.351 4.671 4.320 -0.000 0.000 0.214 86 A C 1.783 179.408 177.584 0.069 0.000 1.151 86 A CA 1.121 53.209 52.037 0.085 0.000 0.735 86 A CB -0.651 18.384 19.000 0.058 0.000 0.802 86 A HN 0.477 nan 8.150 nan 0.000 0.467 87 G N -0.970 107.868 108.800 0.064 0.000 2.221 87 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.265 87 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.265 87 G C -0.099 174.852 174.900 0.083 0.000 1.041 87 G CA 0.341 45.477 45.100 0.062 0.000 0.807 87 G HN 0.468 nan 8.290 nan 0.000 0.502 88 L N 1.790 123.078 121.223 0.109 0.000 2.257 88 L HA 0.508 4.848 4.340 -0.000 0.000 0.290 88 L C 1.269 178.294 176.870 0.258 0.000 1.044 88 L CA -0.214 54.740 54.840 0.190 0.000 0.810 88 L CB 1.402 43.595 42.059 0.223 0.000 1.193 88 L HN 0.440 nan 8.230 nan 0.000 0.425 89 S N 2.945 118.770 115.700 0.208 0.000 2.614 89 S HA 0.353 4.823 4.470 -0.000 0.000 0.265 89 S C -1.906 172.797 174.600 0.173 0.000 1.303 89 S CA -1.130 57.170 58.200 0.168 0.000 1.000 89 S CB 1.189 64.439 63.200 0.082 0.000 0.935 89 S HN 0.352 nan 8.310 nan 0.000 0.551 90 P HA -0.152 nan 4.420 nan 0.000 0.215 90 P C 1.474 178.579 177.300 -0.325 0.000 1.153 90 P CA 1.324 64.263 63.100 -0.268 0.000 0.853 90 P CB -0.068 31.553 31.700 -0.133 0.000 0.788 91 E N -0.126 119.997 120.200 -0.129 0.000 2.265 91 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 91 E C 1.806 178.371 176.600 -0.059 0.000 0.996 91 E CA 1.501 57.844 56.400 -0.095 0.000 0.832 91 E CB -1.204 28.471 29.700 -0.041 0.000 0.756 91 E HN 0.206 nan 8.360 nan 0.000 0.491 92 A N 0.729 123.551 122.820 0.004 0.000 2.016 92 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 92 A C 1.704 179.383 177.584 0.159 0.000 1.162 92 A CA 1.148 53.245 52.037 0.100 0.000 0.662 92 A CB -0.456 18.644 19.000 0.168 0.000 0.812 92 A HN 0.484 nan 8.150 nan 0.000 0.450 93 Y N -2.231 118.119 120.300 0.083 0.000 2.448 93 Y HA 0.441 4.991 4.550 -0.000 0.000 0.257 93 Y C 0.543 176.479 175.900 0.059 0.000 1.089 93 Y CA -0.709 57.457 58.100 0.109 0.000 1.245 93 Y CB -0.147 38.450 38.460 0.228 0.000 1.282 93 Y HN 0.161 nan 8.280 nan 0.000 0.529 94 Q N 2.039 121.456 119.800 -0.638 0.000 2.306 94 Q HA 0.183 4.523 4.340 -0.000 0.000 0.241 94 Q C -0.177 175.621 176.000 -0.337 0.000 0.948 94 Q CA -0.389 55.127 55.803 -0.478 0.000 0.886 94 Q CB 0.379 28.798 28.738 -0.532 0.000 1.227 94 Q HN 0.341 nan 8.270 nan 0.000 0.457 95 N N 1.985 120.374 118.700 -0.518 0.000 2.708 95 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 95 N C -1.108 174.213 175.510 -0.315 0.000 1.017 95 N CA 0.797 53.348 53.050 -0.832 0.000 0.742 95 N CB -1.092 37.157 38.487 -0.396 0.000 0.943 95 N HN 0.551 nan 8.380 nan 0.000 0.539 96 N N -0.052 118.550 118.700 -0.163 0.000 2.531 96 N HA 0.317 5.057 4.740 -0.000 0.000 0.268 96 N C -2.040 173.529 175.510 0.099 0.000 1.023 96 N CA -1.914 51.145 53.050 0.016 0.000 0.896 96 N CB 1.622 40.124 38.487 0.024 0.000 1.233 96 N HN -0.198 nan 8.380 nan 0.000 0.512 97 P HA -0.051 nan 4.420 nan 0.000 0.220 97 P C 0.599 177.940 177.300 0.067 0.000 1.144 97 P CA 1.037 64.210 63.100 0.121 0.000 0.800 97 P CB 0.338 32.092 31.700 0.090 0.000 0.772 98 R N -1.162 119.363 120.500 0.042 0.000 2.334 98 R HA 0.184 4.524 4.340 -0.000 0.000 0.220 98 R C -0.103 176.179 176.300 -0.030 0.000 0.917 98 R CA 0.182 56.280 56.100 -0.004 0.000 1.073 98 R CB 0.051 30.336 30.300 -0.025 0.000 1.056 98 R HN 0.141 nan 8.270 nan 0.000 0.506 99 V N 0.496 120.424 119.914 0.024 0.000 2.409 99 V HA 0.596 4.716 4.120 -0.000 0.000 0.291 99 V C 0.471 176.616 176.094 0.085 0.000 1.020 99 V CA -0.775 61.549 62.300 0.039 0.000 0.848 99 V CB 1.673 33.590 31.823 0.156 0.000 0.990 99 V HN 0.287 nan 8.190 nan 0.000 0.430 100 G N 3.168 111.988 108.800 0.033 0.000 3.013 100 G HA2 0.809 4.769 3.960 -0.000 0.000 0.278 100 G HA3 0.809 4.769 3.960 -0.000 0.000 0.278 100 G C -1.785 173.167 174.900 0.087 0.000 1.353 100 G CA -0.758 44.365 45.100 0.038 0.000 1.043 100 G HN 0.663 nan 8.290 nan 0.000 0.523 101 L N -0.366 120.857 121.223 -0.001 0.000 2.516 101 L HA 0.700 5.040 4.340 -0.000 0.000 0.267 101 L C -1.469 175.317 176.870 -0.142 0.000 0.957 101 L CA -0.438 54.404 54.840 0.003 0.000 0.860 101 L CB 1.689 43.770 42.059 0.036 0.000 1.265 101 L HN 0.432 nan 8.230 nan 0.000 0.403 102 I N 5.266 125.758 120.570 -0.129 0.000 2.476 102 I HA 0.818 4.988 4.170 -0.000 0.000 0.281 102 I C -0.527 175.563 176.117 -0.046 0.000 1.040 102 I CA -0.393 60.803 61.300 -0.173 0.000 1.094 102 I CB 1.729 39.610 38.000 -0.197 0.000 1.219 102 I HN 0.785 nan 8.210 nan 0.000 0.450 103 A N 4.340 127.159 122.820 -0.002 0.000 2.547 103 A HA 0.961 5.281 4.320 -0.000 0.000 0.297 103 A C -0.682 176.939 177.584 0.061 0.000 1.056 103 A CA -0.409 51.645 52.037 0.028 0.000 0.688 103 A CB 1.892 20.904 19.000 0.021 0.000 1.282 103 A HN 0.767 nan 8.150 nan 0.000 0.400 104 G N -0.268 108.573 108.800 0.068 0.000 2.749 104 G HA2 0.829 4.789 3.960 -0.000 0.000 0.300 104 G HA3 0.829 4.789 3.960 -0.000 0.000 0.300 104 G C -0.565 174.380 174.900 0.076 0.000 1.352 104 G CA 0.198 45.347 45.100 0.082 0.000 0.789 104 G HN 1.893 nan 8.290 nan 0.000 0.509 105 S N -1.974 113.773 115.700 0.080 0.000 2.632 105 S HA 0.672 5.142 4.470 -0.000 0.000 0.289 105 S C 0.974 175.624 174.600 0.084 0.000 1.115 105 S CA 0.244 58.490 58.200 0.076 0.000 0.889 105 S CB 1.582 64.826 63.200 0.073 0.000 1.116 105 S HN 1.504 nan 8.310 nan 0.000 0.486 106 G N -0.173 108.677 108.800 0.082 0.000 2.430 106 G HA2 0.330 4.290 3.960 -0.000 0.000 0.216 106 G HA3 0.330 4.290 3.960 -0.000 0.000 0.216 106 G C 0.870 175.832 174.900 0.105 0.000 1.146 106 G CA 0.408 45.570 45.100 0.102 0.000 0.793 106 G HN 1.179 nan 8.290 nan 0.000 0.537 107 G N -1.389 107.468 108.800 0.095 0.000 3.274 107 G HA2 0.461 4.420 3.960 -0.000 0.000 0.250 107 G HA3 0.461 4.420 3.960 -0.000 0.000 0.250 107 G C 1.019 175.963 174.900 0.073 0.000 1.024 107 G CA 0.861 46.014 45.100 0.088 0.000 0.840 107 G HN 1.137 nan 8.290 nan 0.000 0.522 108 G N 0.348 109.192 108.800 0.074 0.000 2.543 108 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.286 108 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.286 108 G C 0.339 175.286 174.900 0.079 0.000 1.153 108 G CA 0.701 45.844 45.100 0.072 0.000 0.968 108 G HN 1.456 nan 8.290 nan 0.000 0.544 109 S N 1.464 117.220 115.700 0.093 0.000 2.383 109 S HA 0.653 5.123 4.470 -0.000 0.000 0.196 109 S C -1.343 173.311 174.600 0.091 0.000 1.364 109 S CA 0.042 58.315 58.200 0.122 0.000 1.212 109 S CB 1.746 65.087 63.200 0.234 0.000 1.171 109 S HN 0.278 nan 8.310 nan 0.000 0.456 110 P HA -0.101 nan 4.420 nan 0.000 0.216 110 P C 1.521 178.764 177.300 -0.095 0.000 1.150 110 P CA 0.676 63.755 63.100 -0.035 0.000 0.837 110 P CB 0.126 31.785 31.700 -0.068 0.000 0.786 111 R N -0.870 119.547 120.500 -0.137 0.000 2.083 111 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 111 R C 1.837 177.961 176.300 -0.294 0.000 1.137 111 R CA 1.720 57.651 56.100 -0.282 0.000 0.951 111 R CB -0.931 29.157 30.300 -0.353 0.000 0.851 111 R HN 0.109 nan 8.270 nan 0.000 0.434 112 F N 0.754 120.721 119.950 0.030 0.000 2.456 112 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 112 F C 2.466 178.355 175.800 0.148 0.000 1.104 112 F CA 0.847 58.915 58.000 0.113 0.000 1.435 112 F CB 0.030 39.064 39.000 0.057 0.000 1.078 112 F HN 0.118 nan 8.300 nan 0.000 0.546 113 Q N -0.253 119.656 119.800 0.183 0.000 2.079 113 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 113 Q C 2.389 178.432 176.000 0.072 0.000 0.974 113 Q CA 1.597 57.473 55.803 0.121 0.000 0.840 113 Q CB -0.327 28.450 28.738 0.066 0.000 0.898 113 Q HN 0.266 nan 8.270 nan 0.000 0.430 114 V N 0.690 120.617 119.914 0.021 0.000 2.427 114 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 114 V C 1.912 178.012 176.094 0.010 0.000 1.051 114 V CA 1.653 63.948 62.300 -0.009 0.000 1.048 114 V CB -0.628 31.151 31.823 -0.072 0.000 0.666 114 V HN 0.339 nan 8.190 nan 0.000 0.456 115 F N 2.325 122.226 119.950 -0.082 0.000 2.095 115 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 115 F C 2.197 178.011 175.800 0.024 0.000 1.104 115 F CA 1.834 59.800 58.000 -0.056 0.000 1.232 115 F CB -0.940 37.976 39.000 -0.140 0.000 0.987 115 F HN 0.133 nan 8.300 nan 0.000 0.475 116 G N -0.183 108.580 108.800 -0.061 0.000 2.440 116 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 116 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 116 G C 1.777 176.557 174.900 -0.200 0.000 1.154 116 G CA 0.911 45.923 45.100 -0.146 0.000 0.767 116 G HN 0.662 nan 8.290 nan 0.000 0.552 117 A N 0.764 123.514 122.820 -0.116 0.000 1.929 117 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 117 A C 2.079 179.590 177.584 -0.121 0.000 1.176 117 A CA 1.924 53.908 52.037 -0.089 0.000 0.628 117 A CB -0.244 18.734 19.000 -0.038 0.000 0.816 117 A HN 0.259 nan 8.150 nan 0.000 0.444 118 D N 0.231 120.535 120.400 -0.160 0.000 2.144 118 D HA -0.003 4.637 4.640 -0.000 0.000 0.200 118 D C 2.185 178.361 176.300 -0.207 0.000 0.978 118 D CA 1.428 55.344 54.000 -0.140 0.000 0.833 118 D CB -0.356 40.383 40.800 -0.100 0.000 0.961 118 D HN 0.411 nan 8.370 nan 0.000 0.470 119 A N 0.622 123.205 122.820 -0.394 0.000 1.898 119 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 119 A C 2.122 179.588 177.584 -0.197 0.000 1.181 119 A CA 1.364 53.178 52.037 -0.370 0.000 0.620 119 A CB -0.471 18.135 19.000 -0.657 0.000 0.819 119 A HN 0.143 nan 8.150 nan 0.000 0.442 120 M N 0.006 119.500 119.600 -0.176 0.000 2.213 120 M HA -0.065 4.414 4.480 -0.000 0.000 0.263 120 M C 1.737 177.995 176.300 -0.069 0.000 1.062 120 M CA 1.457 56.698 55.300 -0.098 0.000 1.105 120 M CB -0.386 32.167 32.600 -0.078 0.000 1.385 120 M HN 0.354 nan 8.290 nan 0.000 0.417 121 R N -0.251 120.205 120.500 -0.072 0.000 2.310 121 R HA 0.239 4.579 4.340 -0.000 0.000 0.202 121 R C 1.041 177.317 176.300 -0.040 0.000 0.933 121 R CA 0.271 56.343 56.100 -0.047 0.000 1.054 121 R CB -0.240 30.036 30.300 -0.039 0.000 0.985 121 R HN 0.446 nan 8.270 nan 0.000 0.489 122 G N 1.231 110.000 108.800 -0.051 0.000 2.537 122 G HA2 0.145 4.104 3.960 -0.000 0.000 0.297 122 G HA3 0.145 4.104 3.960 -0.000 0.000 0.297 122 G C -1.460 173.424 174.900 -0.025 0.000 1.310 122 G CA -0.976 44.102 45.100 -0.036 0.000 1.027 122 G HN -0.085 nan 8.290 nan 0.000 0.505 123 P HA -0.039 nan 4.420 nan 0.000 0.225 123 P C 1.129 178.424 177.300 -0.008 0.000 1.148 123 P CA 0.779 63.873 63.100 -0.010 0.000 0.779 123 P CB 0.342 32.040 31.700 -0.004 0.000 0.780 124 R N -0.886 119.608 120.500 -0.010 0.000 2.312 124 R HA 0.237 4.577 4.340 -0.000 0.000 0.205 124 R C 1.611 177.903 176.300 -0.014 0.000 0.904 124 R CA 0.457 56.554 56.100 -0.006 0.000 1.052 124 R CB -0.231 30.072 30.300 0.005 0.000 1.014 124 R HN 0.161 nan 8.270 nan 0.000 0.503 125 G N 1.874 110.659 108.800 -0.026 0.000 2.634 125 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.309 125 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.309 125 G C 0.842 175.724 174.900 -0.030 0.000 1.265 125 G CA 0.425 45.507 45.100 -0.031 0.000 0.998 125 G HN 0.205 nan 8.290 nan 0.000 0.551 126 L N 0.022 121.232 121.223 -0.021 0.000 2.089 126 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 126 L C 3.018 179.886 176.870 -0.004 0.000 1.079 126 L CA 2.515 57.346 54.840 -0.014 0.000 0.758 126 L CB -0.520 41.532 42.059 -0.012 0.000 0.891 126 L HN 0.544 nan 8.230 nan 0.000 0.433 127 K N -0.018 120.382 120.400 -0.001 0.000 2.147 127 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 127 K C 2.072 178.692 176.600 0.033 0.000 1.049 127 K CA 1.351 57.645 56.287 0.011 0.000 0.936 127 K CB -0.326 32.180 32.500 0.010 0.000 0.722 127 K HN 0.306 nan 8.250 nan 0.000 0.446 128 A N 0.338 123.173 122.820 0.025 0.000 2.067 128 A HA -0.018 4.301 4.320 -0.000 0.000 0.217 128 A C 2.182 179.826 177.584 0.101 0.000 1.156 128 A CA 0.762 52.832 52.037 0.056 0.000 0.683 128 A CB -0.293 18.704 19.000 -0.005 0.000 0.808 128 A HN 0.056 nan 8.150 nan 0.000 0.455 129 V N -0.456 119.483 119.914 0.041 0.000 2.323 129 V HA 0.219 4.339 4.120 -0.000 0.000 0.244 129 V C 1.573 177.806 176.094 0.233 0.000 1.041 129 V CA 1.199 63.560 62.300 0.101 0.000 1.025 129 V CB -1.781 30.059 31.823 0.029 0.000 0.656 129 V HN 1.181 nan 8.190 nan 0.000 0.451 130 G N 0.554 109.417 108.800 0.106 0.000 2.730 130 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.686 130 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.686 130 G C -1.808 173.055 174.900 -0.062 0.000 1.343 130 G CA -0.110 45.017 45.100 0.044 0.000 0.826 130 G HN 0.292 nan 8.290 nan 0.000 0.582 131 P HA 0.208 nan 4.420 nan 0.000 0.257 131 P C 0.259 177.274 177.300 -0.475 0.000 1.281 131 P CA 0.683 63.546 63.100 -0.395 0.000 0.826 131 P CB -0.007 31.393 31.700 -0.499 0.000 1.237 132 Y N -1.581 118.695 120.300 -0.041 0.000 2.481 132 Y HA 0.112 4.662 4.550 -0.000 0.000 0.247 132 Y C 2.228 178.093 175.900 -0.059 0.000 1.151 132 Y CA -0.161 57.880 58.100 -0.098 0.000 1.238 132 Y CB -0.404 37.886 38.460 -0.283 0.000 1.179 132 Y HN -0.280 nan 8.280 nan 0.000 0.524 133 V N -1.096 118.893 119.914 0.124 0.000 2.490 133 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 133 V C 2.088 178.251 176.094 0.115 0.000 1.061 133 V CA 1.577 63.967 62.300 0.149 0.000 1.064 133 V CB -0.734 31.247 31.823 0.264 0.000 0.670 133 V HN 0.241 nan 8.190 nan 0.000 0.461 134 V N 1.155 121.131 119.914 0.103 0.000 2.261 134 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 134 V C 2.794 178.941 176.094 0.087 0.000 1.047 134 V CA 2.626 64.980 62.300 0.090 0.000 1.015 134 V CB -1.329 30.540 31.823 0.077 0.000 0.642 134 V HN 0.808 nan 8.190 nan 0.000 0.446 135 T N -2.193 112.431 114.554 0.117 0.000 3.007 135 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 135 T C 1.666 176.392 174.700 0.044 0.000 1.107 135 T CA 1.193 63.356 62.100 0.105 0.000 1.118 135 T CB -0.216 68.774 68.868 0.203 0.000 0.889 135 T HN 0.491 nan 8.240 nan 0.000 0.506 136 K N 0.903 121.293 120.400 -0.016 0.000 2.128 136 K HA 0.372 4.692 4.320 -0.000 0.000 0.202 136 K C 2.687 179.301 176.600 0.023 0.000 1.050 136 K CA 0.873 57.083 56.287 -0.128 0.000 0.966 136 K CB -0.141 32.053 32.500 -0.510 0.000 0.759 136 K HN 0.381 nan 8.250 nan 0.000 0.454 137 A N 2.031 124.904 122.820 0.089 0.000 2.021 137 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 137 A C 1.295 178.932 177.584 0.088 0.000 1.163 137 A CA 0.053 52.166 52.037 0.127 0.000 0.676 137 A CB -0.461 18.633 19.000 0.156 0.000 0.818 137 A HN 0.330 nan 8.150 nan 0.000 0.453 138 M N -1.724 117.919 119.600 0.072 0.000 2.250 138 M HA 0.482 4.962 4.480 -0.000 0.000 0.325 138 M C 0.944 177.280 176.300 0.060 0.000 1.084 138 M CA 0.436 55.773 55.300 0.061 0.000 1.161 138 M CB 0.521 33.153 32.600 0.055 0.000 1.481 138 M HN 0.046 nan 8.290 nan 0.000 0.449 139 A N 1.828 124.683 122.820 0.057 0.000 2.019 139 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 139 A C 1.968 179.592 177.584 0.067 0.000 1.164 139 A CA 1.784 53.858 52.037 0.061 0.000 0.644 139 A CB -0.900 18.134 19.000 0.056 0.000 0.805 139 A HN 0.998 nan 8.150 nan 0.000 0.449 140 S N -0.970 114.769 115.700 0.066 0.000 2.614 140 S HA 0.311 4.781 4.470 -0.000 0.000 0.230 140 S C 1.597 176.236 174.600 0.065 0.000 0.952 140 S CA 0.513 58.758 58.200 0.075 0.000 0.949 140 S CB -0.255 62.992 63.200 0.079 0.000 0.786 140 S HN 0.548 nan 8.310 nan 0.000 0.478 141 G N 2.179 111.013 108.800 0.058 0.000 2.476 141 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 141 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 141 G C 1.298 176.228 174.900 0.051 0.000 1.164 141 G CA 1.217 46.345 45.100 0.048 0.000 0.768 141 G HN 0.474 nan 8.290 nan 0.000 0.560 142 V N 1.763 121.713 119.914 0.060 0.000 2.332 142 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 142 V C 3.288 179.428 176.094 0.076 0.000 1.055 142 V CA 2.552 64.894 62.300 0.070 0.000 1.038 142 V CB -0.536 31.329 31.823 0.070 0.000 0.651 142 V HN 0.639 nan 8.190 nan 0.000 0.450 143 S N 0.711 116.453 115.700 0.070 0.000 2.371 143 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 143 S C 2.135 176.774 174.600 0.065 0.000 1.029 143 S CA 1.073 59.311 58.200 0.063 0.000 0.978 143 S CB -0.506 62.731 63.200 0.061 0.000 0.833 143 S HN 0.548 nan 8.310 nan 0.000 0.466 144 A N 0.924 123.777 122.820 0.055 0.000 1.902 144 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 144 A C 2.360 179.954 177.584 0.017 0.000 1.181 144 A CA 1.563 53.618 52.037 0.029 0.000 0.623 144 A CB -1.468 17.541 19.000 0.015 0.000 0.818 144 A HN 0.700 nan 8.150 nan 0.000 0.443 145 C N -1.256 118.068 119.300 0.040 0.000 2.500 145 C HA 0.185 4.645 4.460 -0.000 0.000 0.273 145 C C 2.259 177.334 174.990 0.141 0.000 1.428 145 C CA 0.573 59.619 59.018 0.047 0.000 1.766 145 C CB -1.254 26.514 27.740 0.046 0.000 1.817 145 C HN 0.528 nan 8.230 nan 0.000 0.543 146 L N 0.532 121.867 121.223 0.187 0.000 2.362 146 L HA 0.256 4.596 4.340 -0.000 0.000 0.204 146 L C 2.652 179.693 176.870 0.285 0.000 1.060 146 L CA 1.548 56.584 54.840 0.327 0.000 0.827 146 L CB -1.143 41.080 42.059 0.274 0.000 1.027 146 L HN 0.159 nan 8.230 nan 0.000 0.474 147 A N -0.768 122.147 122.820 0.158 0.000 1.940 147 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 147 A C 2.295 179.954 177.584 0.124 0.000 1.176 147 A CA 2.515 54.633 52.037 0.134 0.000 0.631 147 A CB -1.004 18.047 19.000 0.085 0.000 0.814 147 A HN 0.424 nan 8.150 nan 0.000 0.446 148 T N 0.374 114.969 114.554 0.068 0.000 2.639 148 T HA -0.057 4.293 4.350 -0.000 0.000 0.261 148 T C -0.093 174.612 174.700 0.009 0.000 1.053 148 T CA 1.679 63.789 62.100 0.017 0.000 1.158 148 T CB -1.252 67.575 68.868 -0.068 0.000 0.863 148 T HN 0.417 nan 8.240 nan 0.000 0.413 149 P HA -0.011 nan 4.420 nan 0.000 0.216 149 P C 0.870 178.058 177.300 -0.186 0.000 1.150 149 P CA 1.066 64.101 63.100 -0.107 0.000 0.837 149 P CB -0.286 31.358 31.700 -0.093 0.000 0.786 150 F N -0.462 119.511 119.950 0.039 0.000 2.804 150 F HA 0.105 4.632 4.527 -0.000 0.000 0.303 150 F C 0.755 176.574 175.800 0.031 0.000 1.154 150 F CA 0.107 58.121 58.000 0.025 0.000 1.401 150 F CB -0.349 38.600 39.000 -0.084 0.000 1.106 150 F HN -0.245 nan 8.300 nan 0.000 0.568 151 K N 0.408 120.876 120.400 0.114 0.000 3.096 151 K HA -0.195 4.125 4.320 -0.000 0.000 0.266 151 K C -0.452 176.151 176.600 0.006 0.000 1.043 151 K CA 0.333 56.631 56.287 0.019 0.000 0.758 151 K CB -2.314 30.124 32.500 -0.104 0.000 1.260 151 K HN 0.189 nan 8.250 nan 0.000 0.481 152 I N 1.116 121.771 120.570 0.141 0.000 2.496 152 I HA 0.035 4.205 4.170 -0.000 0.000 0.285 152 I C 1.927 178.202 176.117 0.263 0.000 1.080 152 I CA 0.273 61.674 61.300 0.169 0.000 1.404 152 I CB 0.408 38.511 38.000 0.172 0.000 1.403 152 I HN 0.262 nan 8.210 nan 0.000 0.539 153 H N 3.235 122.349 119.070 0.073 0.000 2.874 153 H HA 0.173 4.729 4.556 -0.000 0.000 0.264 153 H C 1.395 176.745 175.328 0.037 0.000 1.007 153 H CA 0.012 56.087 56.048 0.045 0.000 1.207 153 H CB 1.309 31.092 29.762 0.035 0.000 1.487 153 H HN 0.766 nan 8.280 nan 0.000 0.505 154 G N 1.096 109.990 108.800 0.156 0.000 2.735 154 G HA2 0.202 4.162 3.960 -0.000 0.000 0.192 154 G HA3 0.202 4.162 3.960 -0.000 0.000 0.192 154 G C 0.169 175.095 174.900 0.043 0.000 1.547 154 G CA 0.085 45.233 45.100 0.079 0.000 1.080 154 G HN 0.132 nan 8.290 nan 0.000 0.569 155 V N -0.808 119.103 119.914 -0.005 0.000 2.872 155 V HA 0.438 4.558 4.120 -0.000 0.000 0.307 155 V C -0.216 175.799 176.094 -0.132 0.000 1.072 155 V CA -0.302 61.961 62.300 -0.061 0.000 1.148 155 V CB 1.146 32.881 31.823 -0.147 0.000 0.954 155 V HN 0.736 nan 8.190 nan 0.000 0.490 156 N N 3.358 121.977 118.700 -0.135 0.000 2.629 156 N HA 0.525 5.265 4.740 -0.000 0.000 0.277 156 N C -1.175 174.334 175.510 -0.001 0.000 1.188 156 N CA -0.555 52.438 53.050 -0.095 0.000 0.835 156 N CB 1.163 39.664 38.487 0.024 0.000 1.420 156 N HN 1.020 nan 8.380 nan 0.000 0.542 157 Y N -1.094 119.231 120.300 0.041 0.000 2.814 157 Y HA 0.646 5.196 4.550 -0.000 0.000 0.348 157 Y C -1.321 174.602 175.900 0.038 0.000 1.245 157 Y CA -1.190 56.931 58.100 0.035 0.000 1.086 157 Y CB 0.349 38.826 38.460 0.028 0.000 1.373 157 Y HN 0.114 nan 8.280 nan 0.000 0.451 158 S N 1.283 117.182 115.700 0.332 0.000 2.532 158 S HA 0.737 5.207 4.470 -0.000 0.000 0.301 158 S C -0.891 173.856 174.600 0.245 0.000 1.083 158 S CA -0.744 57.588 58.200 0.220 0.000 1.025 158 S CB 1.355 64.637 63.200 0.137 0.000 1.056 158 S HN 0.528 nan 8.310 nan 0.000 0.494 159 I N 1.572 122.260 120.570 0.198 0.000 2.562 159 I HA 0.523 4.693 4.170 -0.000 0.000 0.301 159 I C -0.107 176.090 176.117 0.133 0.000 1.003 159 I CA -0.377 61.019 61.300 0.160 0.000 1.127 159 I CB 2.058 40.164 38.000 0.177 0.000 1.304 159 I HN 0.491 nan 8.210 nan 0.000 0.446 160 S N 2.557 118.324 115.700 0.111 0.000 2.594 160 S HA 0.576 5.046 4.470 -0.000 0.000 0.296 160 S C -0.432 174.247 174.600 0.131 0.000 1.124 160 S CA -0.416 57.854 58.200 0.117 0.000 1.011 160 S CB 1.053 64.308 63.200 0.093 0.000 1.016 160 S HN 0.676 nan 8.310 nan 0.000 0.485 161 S N 2.825 118.632 115.700 0.179 0.000 2.646 161 S HA 0.618 5.088 4.470 -0.000 0.000 0.217 161 S C 0.611 175.350 174.600 0.232 0.000 0.836 161 S CA 0.090 58.421 58.200 0.218 0.000 1.094 161 S CB -0.203 63.211 63.200 0.356 0.000 1.557 161 S HN 1.935 nan 8.310 nan 0.000 0.449 162 A N 0.907 123.852 122.820 0.209 0.000 5.391 162 A HA -0.352 3.968 4.320 -0.000 0.000 0.315 162 A C 1.726 179.442 177.584 0.220 0.000 1.874 162 A CA 1.378 53.566 52.037 0.252 0.000 0.714 162 A CB -2.305 16.925 19.000 0.384 0.000 1.335 162 A HN 1.558 nan 8.150 nan 0.000 0.382 163 C N 0.185 119.653 119.300 0.281 0.000 2.437 163 C HA 0.389 4.849 4.460 -0.000 0.000 0.283 163 C C 2.750 177.835 174.990 0.158 0.000 1.424 163 C CA 1.151 60.318 59.018 0.248 0.000 1.782 163 C CB -1.842 26.175 27.740 0.462 0.000 1.833 163 C HN 1.479 nan 8.230 nan 0.000 0.532 164 A N 0.433 123.328 122.820 0.126 0.000 2.308 164 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 164 A C 1.941 179.549 177.584 0.040 0.000 1.216 164 A CA 0.931 52.972 52.037 0.007 0.000 0.864 164 A CB -0.679 18.291 19.000 -0.051 0.000 0.902 164 A HN 0.455 nan 8.150 nan 0.000 0.499 165 T N 1.384 116.019 114.554 0.136 0.000 2.564 165 T HA -0.260 4.090 4.350 -0.000 0.000 0.264 165 T C 2.254 177.020 174.700 0.111 0.000 1.100 165 T CA 2.656 64.850 62.100 0.157 0.000 1.171 165 T CB -0.458 68.483 68.868 0.120 0.000 0.863 165 T HN 0.811 nan 8.240 nan 0.000 0.430 166 S N 1.219 116.947 115.700 0.046 0.000 2.489 166 S HA 0.281 4.751 4.470 -0.000 0.000 0.228 166 S C 2.238 176.823 174.600 -0.025 0.000 0.995 166 S CA 0.656 58.863 58.200 0.013 0.000 0.934 166 S CB -0.297 62.895 63.200 -0.012 0.000 0.771 166 S HN 0.539 nan 8.310 nan 0.000 0.522 167 A N 1.673 124.462 122.820 -0.052 0.000 1.930 167 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 167 A C 1.891 179.430 177.584 -0.076 0.000 1.176 167 A CA 1.197 53.174 52.037 -0.100 0.000 0.632 167 A CB -0.943 17.970 19.000 -0.146 0.000 0.819 167 A HN 0.679 nan 8.150 nan 0.000 0.445 168 H N -1.654 117.452 119.070 0.059 0.000 2.423 168 H HA -0.109 4.447 4.556 -0.000 0.000 0.297 168 H C 2.165 177.485 175.328 -0.014 0.000 1.075 168 H CA 1.217 57.319 56.048 0.089 0.000 1.342 168 H CB -0.133 29.718 29.762 0.149 0.000 1.395 168 H HN 0.534 nan 8.280 nan 0.000 0.530 169 C N 0.301 119.665 119.300 0.108 0.000 2.432 169 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 169 C C 2.682 177.635 174.990 -0.063 0.000 1.249 169 C CA 0.799 59.841 59.018 0.040 0.000 1.725 169 C CB -0.806 26.953 27.740 0.032 0.000 2.028 169 C HN 0.533 nan 8.230 nan 0.000 0.477 170 I N 1.044 121.545 120.570 -0.114 0.000 2.226 170 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 170 I C 2.721 178.645 176.117 -0.321 0.000 1.100 170 I CA 1.834 63.025 61.300 -0.181 0.000 1.374 170 I CB -0.923 36.976 38.000 -0.168 0.000 1.057 170 I HN 0.455 nan 8.210 nan 0.000 0.413 171 G N 0.476 108.927 108.800 -0.582 0.000 2.422 171 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 171 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 171 G C 1.376 175.887 174.900 -0.649 0.000 1.146 171 G CA 0.960 45.255 45.100 -1.342 0.000 0.769 171 G HN 0.336 nan 8.290 nan 0.000 0.547 172 N N 0.681 119.224 118.700 -0.261 0.000 2.244 172 N HA 0.039 4.779 4.740 -0.000 0.000 0.183 172 N C 2.384 177.866 175.510 -0.046 0.000 1.016 172 N CA 1.140 54.178 53.050 -0.020 0.000 0.866 172 N CB -0.169 38.383 38.487 0.108 0.000 0.980 172 N HN 0.317 nan 8.380 nan 0.000 0.430 173 A N 0.003 122.758 122.820 -0.109 0.000 1.930 173 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 173 A C 2.281 179.802 177.584 -0.106 0.000 1.175 173 A CA 1.043 53.013 52.037 -0.112 0.000 0.627 173 A CB -0.711 18.206 19.000 -0.138 0.000 0.815 173 A HN 0.112 nan 8.150 nan 0.000 0.443 174 V N 0.243 120.079 119.914 -0.131 0.000 2.343 174 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 174 V C 2.395 178.470 176.094 -0.032 0.000 1.051 174 V CA 2.302 64.548 62.300 -0.090 0.000 1.036 174 V CB -0.822 30.939 31.823 -0.105 0.000 0.654 174 V HN 0.642 nan 8.190 nan 0.000 0.451 175 E N -0.557 119.639 120.200 -0.006 0.000 2.118 175 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 175 E C 2.381 178.997 176.600 0.027 0.000 0.992 175 E CA 1.149 57.578 56.400 0.048 0.000 0.804 175 E CB -0.145 29.614 29.700 0.098 0.000 0.741 175 E HN 0.559 nan 8.360 nan 0.000 0.458 176 Q N 0.205 120.009 119.800 0.006 0.000 2.084 176 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 176 Q C 2.273 178.260 176.000 -0.021 0.000 0.978 176 Q CA 0.883 56.684 55.803 -0.002 0.000 0.844 176 Q CB -0.153 28.571 28.738 -0.025 0.000 0.898 176 Q HN 0.324 nan 8.270 nan 0.000 0.426 177 I N 1.222 121.768 120.570 -0.039 0.000 2.179 177 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 177 I C 2.299 178.404 176.117 -0.019 0.000 1.088 177 I CA 1.402 62.674 61.300 -0.046 0.000 1.357 177 I CB -1.269 36.696 38.000 -0.058 0.000 1.051 177 I HN 0.294 nan 8.210 nan 0.000 0.409 178 Q N 0.179 119.978 119.800 -0.003 0.000 2.170 178 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 178 Q C 2.179 178.187 176.000 0.014 0.000 0.976 178 Q CA 1.077 56.887 55.803 0.012 0.000 0.858 178 Q CB -0.183 28.573 28.738 0.030 0.000 0.907 178 Q HN 0.470 nan 8.270 nan 0.000 0.433 179 L N -0.382 120.850 121.223 0.015 0.000 2.610 179 L HA 0.058 4.398 4.340 -0.000 0.000 0.232 179 L C 1.199 178.074 176.870 0.009 0.000 1.149 179 L CA 0.411 55.261 54.840 0.017 0.000 0.872 179 L CB -0.321 41.752 42.059 0.024 0.000 0.992 179 L HN 0.425 nan 8.230 nan 0.000 0.447 180 G N 0.178 108.979 108.800 0.001 0.000 2.166 180 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 180 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 180 G C 1.040 175.936 174.900 -0.006 0.000 0.986 180 G CA 0.720 45.818 45.100 -0.004 0.000 0.683 180 G HN 0.412 nan 8.290 nan 0.000 0.527 181 K N -0.910 119.487 120.400 -0.005 0.000 2.243 181 K HA 0.093 4.413 4.320 -0.000 0.000 0.201 181 K C 0.987 177.576 176.600 -0.019 0.000 1.051 181 K CA 0.841 57.126 56.287 -0.002 0.000 0.970 181 K CB 0.062 32.569 32.500 0.011 0.000 0.755 181 K HN 0.434 nan 8.250 nan 0.000 0.465 182 Q N -0.374 119.400 119.800 -0.044 0.000 2.379 182 Q HA 0.129 4.469 4.340 -0.000 0.000 0.278 182 Q C -0.600 175.324 176.000 -0.127 0.000 1.068 182 Q CA -0.359 55.397 55.803 -0.077 0.000 0.816 182 Q CB 2.025 30.711 28.738 -0.085 0.000 1.387 182 Q HN -0.051 nan 8.270 nan 0.000 0.413 183 D N 0.340 120.620 120.400 -0.201 0.000 2.277 183 D HA 0.252 4.892 4.640 -0.000 0.000 0.209 183 D C 0.288 176.345 176.300 -0.406 0.000 0.970 183 D CA 0.884 54.671 54.000 -0.356 0.000 0.874 183 D CB 1.184 41.614 40.800 -0.617 0.000 0.982 183 D HN 0.358 nan 8.370 nan 0.000 0.504 184 I N 0.505 120.867 120.570 -0.346 0.000 2.619 184 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 184 I C -1.214 174.692 176.117 -0.352 0.000 1.100 184 I CA -0.765 60.307 61.300 -0.381 0.000 1.043 184 I CB 3.396 41.129 38.000 -0.444 0.000 1.239 184 I HN -0.412 nan 8.210 nan 0.000 0.420 185 V N 5.848 125.525 119.914 -0.395 0.000 2.623 185 V HA 0.401 4.521 4.120 -0.000 0.000 0.304 185 V C -0.755 175.100 176.094 -0.398 0.000 1.054 185 V CA -0.594 61.524 62.300 -0.304 0.000 0.882 185 V CB 1.843 33.553 31.823 -0.188 0.000 1.002 185 V HN 0.370 nan 8.190 nan 0.000 0.424 186 F N 3.442 123.292 119.950 -0.168 0.000 2.438 186 F HA 0.685 5.212 4.527 -0.000 0.000 0.356 186 F C 0.715 176.416 175.800 -0.165 0.000 1.099 186 F CA -0.015 57.868 58.000 -0.195 0.000 1.185 186 F CB 1.182 40.022 39.000 -0.267 0.000 1.115 186 F HN 0.563 nan 8.300 nan 0.000 0.526 187 A N 2.496 125.307 122.820 -0.015 0.000 2.393 187 A HA 0.933 5.253 4.320 -0.000 0.000 0.306 187 A C -0.110 177.450 177.584 -0.040 0.000 1.050 187 A CA 0.057 52.068 52.037 -0.044 0.000 0.724 187 A CB 1.427 20.375 19.000 -0.087 0.000 1.248 187 A HN 1.021 nan 8.150 nan 0.000 0.424 188 G N -0.298 108.485 108.800 -0.028 0.000 2.392 188 G HA2 0.760 4.720 3.960 -0.000 0.000 0.260 188 G HA3 0.760 4.720 3.960 -0.000 0.000 0.260 188 G C -0.270 174.628 174.900 -0.002 0.000 1.226 188 G CA 0.383 45.466 45.100 -0.028 0.000 0.913 188 G HN 2.178 nan 8.290 nan 0.000 0.483 189 G N -2.196 106.609 108.800 0.007 0.000 2.441 189 G HA2 0.831 4.791 3.960 -0.000 0.000 0.294 189 G HA3 0.831 4.791 3.960 -0.000 0.000 0.294 189 G C -0.597 174.335 174.900 0.053 0.000 1.393 189 G CA 0.523 45.644 45.100 0.033 0.000 0.796 189 G HN 1.978 nan 8.290 nan 0.000 0.494 190 G N -1.274 107.571 108.800 0.076 0.000 2.692 190 G HA2 0.688 4.648 3.960 -0.000 0.000 0.291 190 G HA3 0.688 4.648 3.960 -0.000 0.000 0.291 190 G C -1.932 173.040 174.900 0.119 0.000 1.423 190 G CA -0.349 44.827 45.100 0.127 0.000 0.843 190 G HN 0.720 nan 8.290 nan 0.000 0.486 191 E N -0.348 119.960 120.200 0.179 0.000 2.347 191 E HA 0.353 4.703 4.350 -0.000 0.000 0.285 191 E C -0.347 176.375 176.600 0.203 0.000 0.925 191 E CA -0.683 55.794 56.400 0.128 0.000 0.779 191 E CB 1.530 31.262 29.700 0.053 0.000 1.233 191 E HN 0.712 nan 8.360 nan 0.000 0.414 192 E N 3.218 123.495 120.200 0.129 0.000 2.345 192 E HA 0.410 4.760 4.350 -0.000 0.000 0.259 192 E C -0.800 175.856 176.600 0.092 0.000 1.117 192 E CA -0.834 55.641 56.400 0.124 0.000 0.913 192 E CB 1.144 30.871 29.700 0.044 0.000 1.057 192 E HN 0.261 nan 8.360 nan 0.000 0.432 193 L N 2.781 124.035 121.223 0.053 0.000 2.316 193 L HA 0.423 4.763 4.340 -0.000 0.000 0.280 193 L C -1.281 175.622 176.870 0.056 0.000 1.006 193 L CA -0.434 54.395 54.840 -0.018 0.000 0.836 193 L CB 0.639 42.522 42.059 -0.293 0.000 1.221 193 L HN 0.902 nan 8.230 nan 0.000 0.418 194 C N 2.321 121.714 119.300 0.154 0.000 3.239 194 C HA 0.448 4.908 4.460 -0.000 0.000 0.329 194 C C 1.084 176.154 174.990 0.133 0.000 1.252 194 C CA -1.027 58.074 59.018 0.140 0.000 1.323 194 C CB 0.744 28.435 27.740 -0.082 0.000 1.663 194 C HN 1.027 nan 8.230 nan 0.000 0.487 195 W N 1.079 122.494 121.300 0.190 0.000 2.425 195 W HA 0.023 4.683 4.660 -0.000 0.000 0.277 195 W C 1.000 177.579 176.519 0.100 0.000 1.231 195 W CA 1.748 59.164 57.345 0.119 0.000 1.248 195 W CB -0.992 28.495 29.460 0.045 0.000 1.117 195 W HN 0.868 nan 8.180 nan 0.000 0.568 196 E N 0.906 120.399 120.200 -1.177 0.000 2.085 196 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 196 E C 2.340 178.752 176.600 -0.313 0.000 0.994 196 E CA 2.619 58.371 56.400 -1.080 0.000 0.801 196 E CB -0.688 28.431 29.700 -0.967 0.000 0.743 196 E HN 0.374 nan 8.360 nan 0.000 0.453 197 M N -0.443 119.075 119.600 -0.137 0.000 2.325 197 M HA 0.094 4.574 4.480 -0.000 0.000 0.265 197 M C 2.099 178.541 176.300 0.237 0.000 1.094 197 M CA 1.262 56.598 55.300 0.059 0.000 1.161 197 M CB 0.103 32.775 32.600 0.120 0.000 1.358 197 M HN 0.152 nan 8.290 nan 0.000 0.446 198 A N 0.502 123.470 122.820 0.246 0.000 1.940 198 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 198 A C 2.334 180.096 177.584 0.296 0.000 1.176 198 A CA 1.812 54.044 52.037 0.323 0.000 0.631 198 A CB -1.747 17.417 19.000 0.273 0.000 0.814 198 A HN 0.880 nan 8.150 nan 0.000 0.446 199 C N -0.508 118.945 119.300 0.256 0.000 2.419 199 C HA -0.063 4.397 4.460 -0.000 0.000 0.281 199 C C 2.159 177.228 174.990 0.131 0.000 1.336 199 C CA 0.933 60.081 59.018 0.217 0.000 1.770 199 C CB -1.556 26.361 27.740 0.295 0.000 1.929 199 C HN 0.661 nan 8.230 nan 0.000 0.509 200 E N 0.596 120.842 120.200 0.077 0.000 2.077 200 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 200 E C 1.788 178.286 176.600 -0.169 0.000 0.989 200 E CA 1.434 57.779 56.400 -0.093 0.000 0.800 200 E CB -0.370 29.194 29.700 -0.227 0.000 0.746 200 E HN 0.758 nan 8.360 nan 0.000 0.452 201 F N 1.393 121.351 119.950 0.012 0.000 2.146 201 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 201 F C 2.275 178.062 175.800 -0.022 0.000 1.096 201 F CA 1.140 59.141 58.000 0.002 0.000 1.275 201 F CB -0.183 38.827 39.000 0.017 0.000 1.008 201 F HN -0.040 nan 8.300 nan 0.000 0.480 202 D N 0.188 120.680 120.400 0.154 0.000 2.117 202 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 202 D C 2.240 178.575 176.300 0.059 0.000 0.987 202 D CA 1.226 55.271 54.000 0.076 0.000 0.829 202 D CB -0.251 40.595 40.800 0.076 0.000 0.961 202 D HN 0.169 nan 8.370 nan 0.000 0.460 203 A N 0.656 123.506 122.820 0.050 0.000 2.125 203 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 203 A C 2.172 179.771 177.584 0.025 0.000 1.156 203 A CA 1.602 53.657 52.037 0.030 0.000 0.671 203 A CB -0.731 18.280 19.000 0.018 0.000 0.794 203 A HN 0.516 nan 8.150 nan 0.000 0.459 204 M N -3.507 116.111 119.600 0.030 0.000 2.371 204 M HA 0.458 4.937 4.480 -0.000 0.000 0.246 204 M C 1.033 177.390 176.300 0.094 0.000 1.103 204 M CA 0.742 56.073 55.300 0.053 0.000 1.010 204 M CB 0.211 32.835 32.600 0.039 0.000 1.457 204 M HN 0.596 nan 8.290 nan 0.000 0.486 205 G N 0.846 109.696 108.800 0.083 0.000 2.136 205 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 205 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 205 G C 0.770 175.733 174.900 0.105 0.000 0.989 205 G CA 0.353 45.502 45.100 0.080 0.000 0.682 205 G HN 0.753 nan 8.290 nan 0.000 0.522 206 A N -0.832 122.071 122.820 0.139 0.000 2.123 206 A HA 0.623 4.943 4.320 -0.000 0.000 0.214 206 A C 1.287 178.797 177.584 -0.123 0.000 1.152 206 A CA 0.771 52.918 52.037 0.182 0.000 0.728 206 A CB 0.089 19.392 19.000 0.504 0.000 0.814 206 A HN 0.665 nan 8.150 nan 0.000 0.464 207 L N 0.126 121.223 121.223 -0.209 0.000 2.357 207 L HA 0.328 4.668 4.340 -0.000 0.000 0.273 207 L C 0.735 177.540 176.870 -0.108 0.000 1.080 207 L CA -0.550 54.097 54.840 -0.321 0.000 0.803 207 L CB 1.530 43.433 42.059 -0.260 0.000 1.174 207 L HN 0.177 nan 8.230 nan 0.000 0.443 208 S N 0.335 115.997 115.700 -0.064 0.000 2.549 208 S HA 0.131 4.601 4.470 -0.000 0.000 0.283 208 S C 0.770 175.382 174.600 0.021 0.000 1.320 208 S CA 0.184 58.412 58.200 0.046 0.000 1.058 208 S CB 0.466 63.729 63.200 0.104 0.000 0.882 208 S HN 0.830 nan 8.310 nan 0.000 0.498 209 T N 1.337 115.904 114.554 0.022 0.000 3.041 209 T HA 0.352 4.702 4.350 -0.000 0.000 0.276 209 T C 0.819 175.463 174.700 -0.093 0.000 0.948 209 T CA -0.437 61.624 62.100 -0.065 0.000 0.885 209 T CB -0.113 68.705 68.868 -0.084 0.000 1.175 209 T HN 0.573 nan 8.240 nan 0.000 0.529 210 K N 0.234 120.585 120.400 -0.083 0.000 2.404 210 K HA 0.302 4.622 4.320 -0.000 0.000 0.194 210 K C -0.296 176.001 176.600 -0.506 0.000 1.023 210 K CA 0.250 56.352 56.287 -0.309 0.000 1.094 210 K CB 0.151 32.404 32.500 -0.411 0.000 0.841 210 K HN 0.446 nan 8.250 nan 0.000 0.523 211 Y N -0.280 120.013 120.300 -0.011 0.000 2.716 211 Y HA 0.198 4.748 4.550 -0.000 0.000 0.260 211 Y C 0.740 176.660 175.900 0.034 0.000 1.141 211 Y CA -0.659 57.449 58.100 0.012 0.000 1.168 211 Y CB 0.175 38.650 38.460 0.025 0.000 1.189 211 Y HN 0.013 nan 8.280 nan 0.000 0.549 212 N N 0.600 119.365 118.700 0.109 0.000 2.272 212 N HA -0.162 4.578 4.740 -0.000 0.000 0.185 212 N C 0.904 176.535 175.510 0.202 0.000 1.014 212 N CA 1.421 54.575 53.050 0.173 0.000 0.870 212 N CB 0.028 38.598 38.487 0.139 0.000 0.975 212 N HN 0.464 nan 8.380 nan 0.000 0.433 213 D N -0.211 120.254 120.400 0.109 0.000 2.317 213 D HA -0.025 4.615 4.640 -0.000 0.000 0.211 213 D C 0.438 176.785 176.300 0.078 0.000 0.966 213 D CA 0.857 54.892 54.000 0.058 0.000 0.876 213 D CB 0.091 40.900 40.800 0.015 0.000 0.927 213 D HN 0.323 nan 8.370 nan 0.000 0.519 214 T N -1.813 112.820 114.554 0.132 0.000 3.410 214 T HA 0.330 4.680 4.350 -0.000 0.000 0.328 214 T C -2.326 172.465 174.700 0.152 0.000 1.567 214 T CA -1.677 60.501 62.100 0.129 0.000 1.626 214 T CB 1.823 70.777 68.868 0.142 0.000 0.939 214 T HN -0.272 nan 8.240 nan 0.000 0.656 215 P HA -0.164 nan 4.420 nan 0.000 0.216 215 P C 1.356 178.720 177.300 0.106 0.000 1.154 215 P CA 1.283 64.478 63.100 0.159 0.000 0.865 215 P CB 0.123 31.942 31.700 0.198 0.000 0.789 216 E N -0.725 119.525 120.200 0.082 0.000 2.472 216 E HA -0.124 4.226 4.350 -0.000 0.000 0.200 216 E C 1.251 177.853 176.600 0.005 0.000 1.046 216 E CA 0.636 57.063 56.400 0.045 0.000 0.871 216 E CB -0.192 29.532 29.700 0.039 0.000 0.806 216 E HN 0.288 nan 8.360 nan 0.000 0.533 217 K N -0.297 120.101 120.400 -0.004 0.000 2.353 217 K HA 0.204 4.524 4.320 -0.000 0.000 0.195 217 K C 1.626 178.042 176.600 -0.308 0.000 1.031 217 K CA 0.295 56.521 56.287 -0.102 0.000 1.079 217 K CB 0.610 33.088 32.500 -0.036 0.000 0.857 217 K HN 0.015 nan 8.250 nan 0.000 0.535 218 A N 1.165 123.883 122.820 -0.171 0.000 1.902 218 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 218 A C 1.467 178.928 177.584 -0.204 0.000 1.181 218 A CA 1.093 53.003 52.037 -0.212 0.000 0.623 218 A CB -0.168 18.872 19.000 0.066 0.000 0.818 218 A HN 0.160 nan 8.150 nan 0.000 0.443 219 S N 0.588 116.225 115.700 -0.105 0.000 2.416 219 S HA 0.423 4.893 4.470 -0.000 0.000 0.287 219 S C 0.268 174.795 174.600 -0.121 0.000 1.139 219 S CA -0.641 57.516 58.200 -0.072 0.000 1.058 219 S CB -0.157 63.032 63.200 -0.018 0.000 0.967 219 S HN 0.496 nan 8.310 nan 0.000 0.495 220 R N 2.733 123.152 120.500 -0.135 0.000 2.627 220 R HA 0.199 4.539 4.340 -0.000 0.000 0.251 220 R C -0.732 175.489 176.300 -0.131 0.000 1.524 220 R CA -0.644 55.377 56.100 -0.131 0.000 1.606 220 R CB -0.837 29.364 30.300 -0.164 0.000 1.396 220 R HN 0.397 nan 8.270 nan 0.000 0.724 221 T N 2.139 116.566 114.554 -0.211 0.000 2.891 221 T HA -0.072 4.278 4.350 -0.000 0.000 0.296 221 T C 0.006 174.490 174.700 -0.361 0.000 1.025 221 T CA 0.984 62.834 62.100 -0.417 0.000 1.149 221 T CB -0.077 68.386 68.868 -0.675 0.000 1.007 221 T HN 0.536 nan 8.240 nan 0.000 0.528 222 Y N -1.280 119.013 120.300 -0.013 0.000 4.894 222 Y HA -0.212 4.338 4.550 -0.000 0.000 0.270 222 Y C 0.733 176.624 175.900 -0.016 0.000 0.930 222 Y CA 0.457 58.550 58.100 -0.011 0.000 1.814 222 Y CB -2.278 36.176 38.460 -0.010 0.000 1.235 222 Y HN 0.784 nan 8.280 nan 0.000 0.480 223 D N 0.525 120.974 120.400 0.082 0.000 2.382 223 D HA 0.546 5.186 4.640 -0.000 0.000 0.245 223 D C 1.299 177.602 176.300 0.005 0.000 1.120 223 D CA 0.797 54.825 54.000 0.046 0.000 0.890 223 D CB 1.289 42.105 40.800 0.027 0.000 1.201 223 D HN 0.267 nan 8.370 nan 0.000 0.433 224 A N 3.619 126.399 122.820 -0.067 0.000 2.024 224 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 224 A C 1.348 178.726 177.584 -0.344 0.000 1.164 224 A CA 1.181 53.085 52.037 -0.221 0.000 0.643 224 A CB -0.370 18.427 19.000 -0.338 0.000 0.806 224 A HN 0.732 nan 8.150 nan 0.000 0.451 225 H N 0.055 119.179 119.070 0.091 0.000 2.507 225 H HA 0.104 4.660 4.556 -0.000 0.000 0.294 225 H C 0.354 175.783 175.328 0.168 0.000 1.064 225 H CA -0.019 56.111 56.048 0.137 0.000 1.138 225 H CB -0.235 29.637 29.762 0.185 0.000 1.515 225 H HN 0.686 nan 8.280 nan 0.000 0.547 226 R N 1.726 122.309 120.500 0.138 0.000 2.734 226 R HA 0.031 4.371 4.340 -0.000 0.000 0.266 226 R C -0.275 176.123 176.300 0.163 0.000 1.044 226 R CA 0.364 56.528 56.100 0.106 0.000 1.128 226 R CB 0.391 30.711 30.300 0.034 0.000 1.010 226 R HN 0.080 nan 8.270 nan 0.000 0.461 227 D N 0.331 120.838 120.400 0.178 0.000 2.865 227 D HA 0.227 4.867 4.640 -0.000 0.000 0.347 227 D C 0.023 176.398 176.300 0.124 0.000 1.498 227 D CA 0.040 54.139 54.000 0.166 0.000 0.787 227 D CB 0.366 41.291 40.800 0.207 0.000 1.190 227 D HN 0.925 nan 8.370 nan 0.000 0.445 228 G N 0.415 109.284 108.800 0.115 0.000 2.459 228 G HA2 0.212 4.172 3.960 -0.000 0.000 0.685 228 G HA3 0.212 4.172 3.960 -0.000 0.000 0.685 228 G C -0.549 174.427 174.900 0.128 0.000 1.303 228 G CA -0.684 44.483 45.100 0.112 0.000 0.907 228 G HN 0.346 nan 8.290 nan 0.000 0.632 229 F N -0.561 119.441 119.950 0.086 0.000 2.375 229 F HA 0.813 5.340 4.527 -0.000 0.000 0.313 229 F C 0.257 176.102 175.800 0.076 0.000 1.176 229 F CA -1.384 56.652 58.000 0.059 0.000 1.142 229 F CB 1.243 40.287 39.000 0.074 0.000 1.275 229 F HN 0.409 nan 8.300 nan 0.000 0.544 230 V N 4.093 124.205 119.914 0.330 0.000 2.357 230 V HA 0.268 4.388 4.120 -0.000 0.000 0.284 230 V C 0.181 176.497 176.094 0.371 0.000 1.018 230 V CA -0.853 61.573 62.300 0.211 0.000 0.841 230 V CB 1.085 33.007 31.823 0.165 0.000 0.991 230 V HN 0.844 nan 8.190 nan 0.000 0.437 231 I N 4.617 125.356 120.570 0.283 0.000 2.754 231 I HA 0.539 4.709 4.170 -0.000 0.000 0.285 231 I C 0.490 176.734 176.117 0.211 0.000 1.166 231 I CA 0.466 61.952 61.300 0.309 0.000 1.417 231 I CB 0.968 39.081 38.000 0.188 0.000 1.382 231 I HN 0.791 nan 8.210 nan 0.000 0.588 232 A N 4.779 127.659 122.820 0.100 0.000 2.569 232 A HA 0.889 5.209 4.320 -0.000 0.000 0.290 232 A C -0.639 176.908 177.584 -0.062 0.000 1.136 232 A CA -0.126 51.914 52.037 0.006 0.000 0.710 232 A CB 1.375 20.383 19.000 0.014 0.000 1.303 232 A HN 0.827 nan 8.150 nan 0.000 0.413 233 G N -1.881 106.836 108.800 -0.137 0.000 2.818 233 G HA2 0.935 4.895 3.960 -0.000 0.000 0.286 233 G HA3 0.935 4.895 3.960 -0.000 0.000 0.286 233 G C -0.054 174.692 174.900 -0.257 0.000 1.364 233 G CA -0.241 44.790 45.100 -0.116 0.000 0.938 233 G HN 2.330 nan 8.290 nan 0.000 0.490 234 G N -2.154 106.476 108.800 -0.282 0.000 2.325 234 G HA2 0.613 4.573 3.960 -0.000 0.000 0.285 234 G HA3 0.613 4.573 3.960 -0.000 0.000 0.285 234 G C -0.272 174.582 174.900 -0.077 0.000 1.303 234 G CA 0.234 45.017 45.100 -0.528 0.000 0.970 234 G HN 2.018 nan 8.290 nan 0.000 0.490 235 G N -1.966 106.801 108.800 -0.055 0.000 2.687 235 G HA2 1.043 5.003 3.960 -0.000 0.000 0.291 235 G HA3 1.043 5.003 3.960 -0.000 0.000 0.291 235 G C -0.325 174.567 174.900 -0.013 0.000 1.420 235 G CA 0.383 45.511 45.100 0.047 0.000 0.796 235 G HN 2.188 nan 8.290 nan 0.000 0.485 236 G N -1.430 107.361 108.800 -0.015 0.000 2.667 236 G HA2 0.653 4.612 3.960 -0.000 0.000 0.294 236 G HA3 0.653 4.612 3.960 -0.000 0.000 0.294 236 G C -1.758 173.111 174.900 -0.052 0.000 1.467 236 G CA -0.524 44.541 45.100 -0.058 0.000 0.852 236 G HN 0.952 nan 8.290 nan 0.000 0.521 237 M N 0.891 120.450 119.600 -0.068 0.000 2.413 237 M HA 0.697 5.177 4.480 -0.000 0.000 0.287 237 M C -1.003 175.256 176.300 -0.068 0.000 1.186 237 M CA -0.723 54.541 55.300 -0.061 0.000 0.927 237 M CB 2.330 34.886 32.600 -0.072 0.000 1.715 237 M HN 1.238 nan 8.290 nan 0.000 0.478 238 V N 1.447 121.322 119.914 -0.064 0.000 2.962 238 V HA 0.899 5.019 4.120 -0.000 0.000 0.313 238 V C -1.186 174.859 176.094 -0.081 0.000 1.099 238 V CA -0.944 61.307 62.300 -0.082 0.000 0.971 238 V CB 1.840 33.593 31.823 -0.117 0.000 1.028 238 V HN 0.608 nan 8.190 nan 0.000 0.430 239 V N 3.372 123.224 119.914 -0.103 0.000 2.348 239 V HA 0.373 4.493 4.120 -0.000 0.000 0.270 239 V C 0.126 176.090 176.094 -0.217 0.000 1.037 239 V CA -0.341 61.809 62.300 -0.249 0.000 0.872 239 V CB 1.094 32.783 31.823 -0.223 0.000 1.002 239 V HN 0.724 nan 8.190 nan 0.000 0.464 240 V N 5.240 124.995 119.914 -0.266 0.000 2.383 240 V HA 0.462 4.582 4.120 -0.000 0.000 0.275 240 V C 0.057 176.016 176.094 -0.224 0.000 1.036 240 V CA -0.291 61.892 62.300 -0.194 0.000 0.889 240 V CB 1.377 33.094 31.823 -0.176 0.000 0.985 240 V HN 0.984 nan 8.190 nan 0.000 0.459 241 E N 3.112 123.217 120.200 -0.158 0.000 2.293 241 E HA 0.341 4.691 4.350 -0.000 0.000 0.270 241 E C -0.685 175.860 176.600 -0.092 0.000 0.879 241 E CA -0.721 55.589 56.400 -0.149 0.000 0.756 241 E CB 1.740 31.383 29.700 -0.095 0.000 1.208 241 E HN 0.686 nan 8.360 nan 0.000 0.428 242 E N 3.902 124.043 120.200 -0.098 0.000 2.384 242 E HA -0.036 4.314 4.350 -0.000 0.000 0.266 242 E C 0.750 177.354 176.600 0.008 0.000 1.012 242 E CA -0.095 56.278 56.400 -0.044 0.000 0.901 242 E CB 1.095 30.767 29.700 -0.046 0.000 0.967 242 E HN 0.666 nan 8.360 nan 0.000 0.435 243 L N 5.499 126.723 121.223 0.001 0.000 2.013 243 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 243 L C 1.897 178.780 176.870 0.021 0.000 1.073 243 L CA 1.932 56.774 54.840 0.004 0.000 0.753 243 L CB -0.379 41.677 42.059 -0.006 0.000 0.890 243 L HN 0.535 nan 8.230 nan 0.000 0.432 244 E N -0.930 119.288 120.200 0.030 0.000 2.085 244 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 244 E C 2.245 178.875 176.600 0.049 0.000 0.994 244 E CA 1.413 57.831 56.400 0.030 0.000 0.801 244 E CB -0.666 29.052 29.700 0.030 0.000 0.743 244 E HN 0.669 nan 8.360 nan 0.000 0.453 245 H N 0.189 119.243 119.070 -0.026 0.000 2.387 245 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 245 H C 1.769 177.080 175.328 -0.029 0.000 1.090 245 H CA 1.615 57.647 56.048 -0.026 0.000 1.332 245 H CB 0.258 30.001 29.762 -0.032 0.000 1.386 245 H HN 0.130 nan 8.280 nan 0.000 0.516 246 A N 1.046 123.925 122.820 0.100 0.000 1.873 246 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 246 A C 2.822 180.391 177.584 -0.025 0.000 1.186 246 A CA 1.068 53.125 52.037 0.033 0.000 0.616 246 A CB -0.798 18.210 19.000 0.013 0.000 0.823 246 A HN 0.392 nan 8.150 nan 0.000 0.442 247 L N -0.694 120.514 121.223 -0.024 0.000 2.093 247 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 247 L C 3.047 179.888 176.870 -0.048 0.000 1.085 247 L CA 0.975 55.794 54.840 -0.035 0.000 0.755 247 L CB -0.566 41.477 42.059 -0.026 0.000 0.904 247 L HN 0.425 nan 8.230 nan 0.000 0.435 248 A N 1.130 123.910 122.820 -0.066 0.000 1.933 248 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 248 A C 2.266 179.792 177.584 -0.096 0.000 1.175 248 A CA 1.662 53.650 52.037 -0.083 0.000 0.628 248 A CB -0.496 18.440 19.000 -0.106 0.000 0.814 248 A HN 0.568 nan 8.150 nan 0.000 0.444 249 R N -1.268 119.159 120.500 -0.122 0.000 2.334 249 R HA 0.341 4.681 4.340 -0.000 0.000 0.220 249 R C 0.987 177.256 176.300 -0.051 0.000 0.917 249 R CA 0.710 56.752 56.100 -0.097 0.000 1.073 249 R CB -0.549 29.673 30.300 -0.131 0.000 1.056 249 R HN 0.761 nan 8.270 nan 0.000 0.506 250 G N 0.547 109.322 108.800 -0.042 0.000 2.147 250 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 250 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 250 G C 0.338 175.230 174.900 -0.012 0.000 1.005 250 G CA 0.048 45.133 45.100 -0.024 0.000 0.713 250 G HN 0.713 nan 8.290 nan 0.000 0.515 251 A N -0.088 122.722 122.820 -0.017 0.000 2.531 251 A HA 0.475 4.795 4.320 -0.000 0.000 0.236 251 A C 0.468 178.042 177.584 -0.018 0.000 1.062 251 A CA 0.816 52.850 52.037 -0.005 0.000 0.760 251 A CB 0.096 19.090 19.000 -0.009 0.000 0.995 251 A HN 1.585 nan 8.150 nan 0.000 0.501 252 H N 1.610 120.624 119.070 -0.093 0.000 2.690 252 H HA 0.518 5.074 4.556 -0.000 0.000 0.314 252 H C -0.607 174.601 175.328 -0.200 0.000 1.069 252 H CA -0.359 55.591 56.048 -0.163 0.000 1.436 252 H CB 0.175 29.805 29.762 -0.221 0.000 1.462 252 H HN 0.459 nan 8.280 nan 0.000 0.511 253 I N 6.868 126.988 120.570 -0.751 0.000 2.321 253 I HA 0.033 4.203 4.170 -0.000 0.000 0.291 253 I C 0.051 175.776 176.117 -0.653 0.000 0.998 253 I CA -0.480 60.508 61.300 -0.521 0.000 1.227 253 I CB 0.991 38.843 38.000 -0.247 0.000 1.368 253 I HN 0.753 nan 8.210 nan 0.000 0.466 254 Y N 5.011 125.117 120.300 -0.325 0.000 2.206 254 Y HA 0.237 4.787 4.550 -0.000 0.000 0.292 254 Y C 1.245 177.074 175.900 -0.119 0.000 1.123 254 Y CA 0.991 58.987 58.100 -0.174 0.000 1.142 254 Y CB 0.133 38.563 38.460 -0.050 0.000 1.006 254 Y HN 0.677 nan 8.280 nan 0.000 0.518 255 A N -0.817 122.042 122.820 0.066 0.000 2.515 255 A HA 0.419 4.739 4.320 -0.000 0.000 0.292 255 A C -1.505 176.081 177.584 0.004 0.000 1.065 255 A CA -0.834 51.216 52.037 0.023 0.000 0.641 255 A CB 0.691 19.716 19.000 0.043 0.000 1.306 255 A HN 0.069 nan 8.150 nan 0.000 0.441 256 E N 0.245 120.444 120.200 -0.002 0.000 2.204 256 E HA 0.613 4.963 4.350 -0.000 0.000 0.276 256 E C -1.158 175.443 176.600 0.002 0.000 0.974 256 E CA -0.621 55.776 56.400 -0.006 0.000 0.815 256 E CB 0.937 30.634 29.700 -0.006 0.000 1.119 256 E HN 0.473 nan 8.360 nan 0.000 0.393 257 I N 5.615 126.183 120.570 -0.004 0.000 2.294 257 I HA 0.027 4.197 4.170 -0.000 0.000 0.295 257 I C 1.034 177.166 176.117 0.025 0.000 1.098 257 I CA -0.263 61.040 61.300 0.005 0.000 1.277 257 I CB 0.805 38.795 38.000 -0.017 0.000 1.434 257 I HN 0.491 nan 8.210 nan 0.000 0.498 258 V N 2.619 122.555 119.914 0.036 0.000 3.650 258 V HA 0.495 4.615 4.120 -0.000 0.000 0.271 258 V C 0.730 176.862 176.094 0.064 0.000 1.281 258 V CA 0.192 62.517 62.300 0.041 0.000 1.120 258 V CB -0.191 31.650 31.823 0.030 0.000 0.856 258 V HN 0.694 nan 8.190 nan 0.000 0.443 259 G N -0.435 108.417 108.800 0.087 0.000 2.746 259 G HA2 0.541 4.501 3.960 -0.000 0.000 0.297 259 G HA3 0.541 4.501 3.960 -0.000 0.000 0.297 259 G C -2.287 172.727 174.900 0.190 0.000 1.426 259 G CA -0.584 44.586 45.100 0.118 0.000 0.989 259 G HN 0.365 nan 8.290 nan 0.000 0.520 260 Y N 1.279 121.601 120.300 0.038 0.000 2.330 260 Y HA 0.680 5.230 4.550 -0.000 0.000 0.324 260 Y C -0.143 175.787 175.900 0.049 0.000 1.093 260 Y CA -1.241 56.882 58.100 0.037 0.000 1.103 260 Y CB 1.697 40.179 38.460 0.037 0.000 1.183 260 Y HN 0.832 nan 8.280 nan 0.000 0.433 261 G N 3.181 111.884 108.800 -0.162 0.000 2.388 261 G HA2 0.733 4.693 3.960 -0.000 0.000 0.330 261 G HA3 0.733 4.693 3.960 -0.000 0.000 0.330 261 G C -1.604 173.078 174.900 -0.364 0.000 1.142 261 G CA -0.587 44.346 45.100 -0.278 0.000 0.908 261 G HN 1.135 nan 8.290 nan 0.000 0.473 262 A N 1.628 124.242 122.820 -0.343 0.000 2.414 262 A HA 0.864 5.184 4.320 -0.000 0.000 0.286 262 A C 0.020 177.588 177.584 -0.026 0.000 1.073 262 A CA -0.114 51.883 52.037 -0.066 0.000 0.727 262 A CB 1.320 20.278 19.000 -0.070 0.000 1.215 262 A HN 1.521 nan 8.150 nan 0.000 0.430 263 T N -1.424 113.161 114.554 0.051 0.000 2.804 263 T HA 0.860 5.210 4.350 -0.000 0.000 0.290 263 T C -0.343 174.372 174.700 0.025 0.000 1.099 263 T CA -0.441 61.660 62.100 0.002 0.000 1.011 263 T CB 1.705 70.551 68.868 -0.038 0.000 1.291 263 T HN 1.452 nan 8.240 nan 0.000 0.523 264 S N -0.967 114.727 115.700 -0.011 0.000 2.547 264 S HA 0.461 4.930 4.470 -0.000 0.000 0.281 264 S C -0.312 174.268 174.600 -0.033 0.000 1.118 264 S CA -0.614 57.582 58.200 -0.006 0.000 0.947 264 S CB 1.644 64.841 63.200 -0.005 0.000 1.053 264 S HN 0.688 nan 8.310 nan 0.000 0.482 265 D N 2.834 123.213 120.400 -0.036 0.000 2.137 265 D HA 0.151 4.791 4.640 -0.000 0.000 0.202 265 D C 1.487 177.767 176.300 -0.033 0.000 0.970 265 D CA 1.469 55.438 54.000 -0.052 0.000 0.837 265 D CB -0.555 40.209 40.800 -0.059 0.000 0.981 265 D HN 1.082 nan 8.370 nan 0.000 0.475 266 G N 0.357 109.148 108.800 -0.016 0.000 2.323 266 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.292 266 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.292 266 G C 0.629 175.523 174.900 -0.010 0.000 1.040 266 G CA 0.914 46.008 45.100 -0.009 0.000 0.942 266 G HN 0.625 nan 8.290 nan 0.000 0.506 267 A N -1.104 121.712 122.820 -0.008 0.000 1.873 267 A HA 0.646 4.966 4.320 -0.000 0.000 0.188 267 A C 0.539 178.127 177.584 0.007 0.000 2.054 267 A CA 0.888 52.921 52.037 -0.006 0.000 1.506 267 A CB 0.384 19.372 19.000 -0.019 0.000 1.084 267 A HN 0.425 nan 8.150 nan 0.000 0.620 268 D N -0.671 119.735 120.400 0.009 0.000 2.163 268 D HA 0.414 5.054 4.640 -0.000 0.000 0.248 268 D C 0.493 176.822 176.300 0.048 0.000 1.035 268 D CA -0.482 53.535 54.000 0.027 0.000 0.872 268 D CB 1.856 42.671 40.800 0.025 0.000 1.183 268 D HN 0.126 nan 8.370 nan 0.000 0.445 269 M N 2.890 122.534 119.600 0.073 0.000 2.296 269 M HA -0.120 4.360 4.480 -0.000 0.000 0.265 269 M C 1.365 177.778 176.300 0.189 0.000 1.064 269 M CA 1.552 56.920 55.300 0.113 0.000 1.109 269 M CB 0.019 32.682 32.600 0.104 0.000 1.396 269 M HN 0.442 nan 8.290 nan 0.000 0.430 270 V N -4.756 115.264 119.914 0.176 0.000 3.426 270 V HA 0.620 4.740 4.120 -0.000 0.000 0.279 270 V C 0.514 176.630 176.094 0.037 0.000 1.544 270 V CA -0.023 62.424 62.300 0.245 0.000 1.017 270 V CB -0.921 31.149 31.823 0.412 0.000 0.821 270 V HN 0.167 nan 8.190 nan 0.000 0.432 271 A N 1.526 124.365 122.820 0.032 0.000 2.324 271 A HA 0.950 5.270 4.320 -0.000 0.000 0.330 271 A C -2.842 174.720 177.584 -0.038 0.000 1.165 271 A CA -1.747 50.288 52.037 -0.003 0.000 0.813 271 A CB 0.774 19.790 19.000 0.027 0.000 1.197 271 A HN 0.304 nan 8.150 nan 0.000 0.484 272 P HA 0.212 nan 4.420 nan 0.000 0.277 272 P C 0.774 178.026 177.300 -0.081 0.000 1.240 272 P CA -0.140 62.904 63.100 -0.095 0.000 0.798 272 P CB 1.187 32.819 31.700 -0.112 0.000 0.979 273 S N 0.397 116.033 115.700 -0.106 0.000 2.486 273 S HA 0.196 4.666 4.470 -0.000 0.000 0.220 273 S C 1.631 176.170 174.600 -0.103 0.000 1.011 273 S CA 0.803 58.952 58.200 -0.085 0.000 0.921 273 S CB -0.924 62.229 63.200 -0.079 0.000 0.785 273 S HN 0.692 nan 8.310 nan 0.000 0.517 274 G N 1.934 110.636 108.800 -0.163 0.000 2.640 274 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.226 274 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.226 274 G C 0.939 175.734 174.900 -0.175 0.000 1.222 274 G CA 0.551 45.550 45.100 -0.167 0.000 0.729 274 G HN 0.456 nan 8.290 nan 0.000 0.516 275 E N 1.766 121.888 120.200 -0.131 0.000 2.085 275 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 275 E C 2.633 179.149 176.600 -0.141 0.000 0.994 275 E CA 2.378 58.710 56.400 -0.114 0.000 0.801 275 E CB -0.956 28.694 29.700 -0.083 0.000 0.743 275 E HN 0.654 nan 8.360 nan 0.000 0.453 276 G N 0.677 109.376 108.800 -0.168 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 1.749 176.501 174.900 -0.246 0.000 1.162 276 G CA 1.297 46.294 45.100 -0.173 0.000 0.777 276 G HN 0.427 nan 8.290 nan 0.000 0.539 277 A N 0.184 122.748 122.820 -0.427 0.000 1.940 277 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 277 A C 2.599 180.029 177.584 -0.256 0.000 1.176 277 A CA 1.819 53.472 52.037 -0.639 0.000 0.631 277 A CB -0.626 17.730 19.000 -1.072 0.000 0.814 277 A HN 0.252 nan 8.150 nan 0.000 0.446 278 V N -0.086 119.714 119.914 -0.189 0.000 2.295 278 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 278 V C 2.662 178.697 176.094 -0.099 0.000 1.049 278 V CA 2.297 64.528 62.300 -0.114 0.000 1.024 278 V CB -0.760 31.002 31.823 -0.101 0.000 0.648 278 V HN 0.538 nan 8.190 nan 0.000 0.447 279 R N -1.130 119.308 120.500 -0.102 0.000 2.096 279 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 279 R C 2.407 178.666 176.300 -0.070 0.000 1.127 279 R CA 1.652 57.701 56.100 -0.085 0.000 0.968 279 R CB -0.890 29.359 30.300 -0.084 0.000 0.861 279 R HN 0.565 nan 8.270 nan 0.000 0.440 280 C N 0.806 120.072 119.300 -0.057 0.000 2.432 280 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 280 C C 2.605 177.609 174.990 0.023 0.000 1.249 280 C CA 0.942 59.957 59.018 -0.004 0.000 1.725 280 C CB -0.668 27.118 27.740 0.077 0.000 2.028 280 C HN 0.460 nan 8.230 nan 0.000 0.477 281 M N 0.030 119.654 119.600 0.040 0.000 2.132 281 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 281 M C 2.260 178.538 176.300 -0.036 0.000 1.065 281 M CA 1.748 57.071 55.300 0.038 0.000 1.122 281 M CB -0.423 32.208 32.600 0.052 0.000 1.365 281 M HN 0.364 nan 8.290 nan 0.000 0.411 282 K N 0.061 120.417 120.400 -0.073 0.000 2.097 282 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 282 K C 1.976 178.559 176.600 -0.029 0.000 1.049 282 K CA 1.365 57.605 56.287 -0.078 0.000 0.933 282 K CB -0.218 32.231 32.500 -0.085 0.000 0.717 282 K HN 0.361 nan 8.250 nan 0.000 0.442 283 M N 0.412 119.989 119.600 -0.039 0.000 2.175 283 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 283 M C 2.067 178.372 176.300 0.008 0.000 1.063 283 M CA 1.540 56.814 55.300 -0.042 0.000 1.119 283 M CB -0.039 32.507 32.600 -0.091 0.000 1.377 283 M HN 0.156 nan 8.290 nan 0.000 0.415 284 A N 0.219 123.046 122.820 0.011 0.000 1.969 284 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 284 A C 1.861 179.485 177.584 0.066 0.000 1.169 284 A CA 1.203 53.270 52.037 0.050 0.000 0.635 284 A CB -0.431 18.610 19.000 0.069 0.000 0.810 284 A HN 0.562 nan 8.150 nan 0.000 0.445 285 M N -0.548 119.080 119.600 0.046 0.000 2.561 285 M HA 0.090 4.570 4.480 -0.000 0.000 0.238 285 M C 0.349 176.676 176.300 0.046 0.000 1.131 285 M CA 0.079 55.399 55.300 0.035 0.000 1.046 285 M CB -1.332 31.255 32.600 -0.022 0.000 1.532 285 M HN 0.518 nan 8.290 nan 0.000 0.497 286 H N 0.755 119.813 119.070 -0.020 0.000 3.107 286 H HA 0.284 4.840 4.556 -0.000 0.000 0.301 286 H C 1.308 176.633 175.328 -0.005 0.000 0.981 286 H CA 1.575 57.612 56.048 -0.019 0.000 1.443 286 H CB 0.116 29.865 29.762 -0.021 0.000 1.479 286 H HN 0.604 nan 8.280 nan 0.000 0.564 287 G N 3.393 111.933 108.800 -0.434 0.000 2.168 287 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.263 287 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.263 287 G C -0.141 174.693 174.900 -0.110 0.000 0.977 287 G CA 0.395 45.326 45.100 -0.281 0.000 0.659 287 G HN 0.643 nan 8.290 nan 0.000 0.533 288 V N 1.390 121.266 119.914 -0.063 0.000 2.318 288 V HA 0.342 4.462 4.120 -0.000 0.000 0.271 288 V C 0.355 176.440 176.094 -0.015 0.000 1.030 288 V CA -0.216 62.075 62.300 -0.016 0.000 0.844 288 V CB 1.493 33.328 31.823 0.019 0.000 1.015 288 V HN 0.246 nan 8.190 nan 0.000 0.460 289 D N 2.301 122.692 120.400 -0.015 0.000 2.363 289 D HA 0.070 4.710 4.640 -0.000 0.000 0.214 289 D C 1.046 177.352 176.300 0.009 0.000 1.093 289 D CA 0.236 54.230 54.000 -0.009 0.000 0.837 289 D CB 0.791 41.577 40.800 -0.022 0.000 0.948 289 D HN 0.666 nan 8.370 nan 0.000 0.507 290 T N -0.083 114.482 114.554 0.019 0.000 2.922 290 T HA 0.476 4.826 4.350 -0.000 0.000 0.285 290 T C -2.325 172.404 174.700 0.048 0.000 1.005 290 T CA -1.572 60.544 62.100 0.027 0.000 1.061 290 T CB 2.169 71.052 68.868 0.024 0.000 1.007 290 T HN -0.166 nan 8.240 nan 0.000 0.502 291 P HA 0.331 nan 4.420 nan 0.000 0.276 291 P C -0.502 176.841 177.300 0.072 0.000 1.244 291 P CA -0.743 62.402 63.100 0.075 0.000 0.801 291 P CB 0.615 32.347 31.700 0.054 0.000 1.006 292 I N 2.882 123.511 120.570 0.099 0.000 2.436 292 I HA 0.017 4.187 4.170 -0.000 0.000 0.289 292 I C 1.280 177.375 176.117 -0.038 0.000 1.083 292 I CA 0.403 61.729 61.300 0.042 0.000 1.372 292 I CB -0.069 37.963 38.000 0.053 0.000 1.408 292 I HN 0.319 nan 8.210 nan 0.000 0.516 293 D N 5.255 125.656 120.400 0.003 0.000 2.271 293 D HA -0.065 4.575 4.640 -0.000 0.000 0.206 293 D C -0.004 176.329 176.300 0.057 0.000 0.967 293 D CA 1.135 55.145 54.000 0.016 0.000 0.867 293 D CB 0.494 41.317 40.800 0.039 0.000 0.960 293 D HN 0.518 nan 8.370 nan 0.000 0.509 294 Y N 0.422 120.667 120.300 -0.091 0.000 2.482 294 Y HA 0.436 4.986 4.550 -0.000 0.000 0.334 294 Y C -2.124 173.723 175.900 -0.088 0.000 1.091 294 Y CA -1.090 56.950 58.100 -0.098 0.000 1.027 294 Y CB 1.227 39.631 38.460 -0.094 0.000 1.306 294 Y HN -0.233 nan 8.280 nan 0.000 0.446 295 L N 7.183 127.775 121.223 -1.051 0.000 2.349 295 L HA 0.514 4.854 4.340 -0.000 0.000 0.278 295 L C -1.152 175.119 176.870 -0.999 0.000 0.996 295 L CA -0.544 53.832 54.840 -0.773 0.000 0.825 295 L CB 1.025 42.834 42.059 -0.417 0.000 1.243 295 L HN 0.810 nan 8.230 nan 0.000 0.412 296 N N 3.611 121.910 118.700 -0.669 0.000 2.469 296 N HA 0.141 4.881 4.740 -0.000 0.000 0.239 296 N C -0.406 175.014 175.510 -0.149 0.000 1.053 296 N CA -0.262 52.619 53.050 -0.281 0.000 0.937 296 N CB 1.036 39.529 38.487 0.009 0.000 1.163 296 N HN 0.732 nan 8.380 nan 0.000 0.509 297 S N 2.586 118.235 115.700 -0.085 0.000 2.600 297 S HA -0.010 4.460 4.470 -0.000 0.000 0.265 297 S C 1.221 175.767 174.600 -0.090 0.000 1.325 297 S CA -0.238 57.945 58.200 -0.029 0.000 1.002 297 S CB 1.210 64.485 63.200 0.125 0.000 0.921 297 S HN 0.759 nan 8.310 nan 0.000 0.554 298 H N 1.804 120.760 119.070 -0.190 0.000 2.403 298 H HA 0.198 4.754 4.556 -0.000 0.000 0.298 298 H C 1.499 176.697 175.328 -0.217 0.000 1.059 298 H CA 0.904 56.784 56.048 -0.280 0.000 1.363 298 H CB -1.036 28.493 29.762 -0.389 0.000 1.410 298 H HN 0.943 nan 8.280 nan 0.000 0.528 299 G N 1.077 109.744 108.800 -0.222 0.000 2.891 299 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.336 299 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.336 299 G C 0.936 175.542 174.900 -0.490 0.000 0.202 299 G CA 0.991 45.896 45.100 -0.325 0.000 1.222 299 G HN 0.728 nan 8.290 nan 0.000 0.344 300 T N -0.796 113.455 114.554 -0.506 0.000 3.107 300 T HA 0.380 4.730 4.350 -0.000 0.000 0.249 300 T C 1.184 175.785 174.700 -0.165 0.000 1.096 300 T CA 0.735 62.561 62.100 -0.456 0.000 1.012 300 T CB 0.274 68.794 68.868 -0.580 0.000 0.977 300 T HN 1.543 nan 8.240 nan 0.000 0.527 301 S N 0.840 116.437 115.700 -0.171 0.000 3.931 301 S HA -0.121 4.349 4.470 -0.000 0.000 0.318 301 S C 0.189 174.802 174.600 0.021 0.000 1.098 301 S CA 0.522 58.668 58.200 -0.089 0.000 0.900 301 S CB -2.022 61.146 63.200 -0.055 0.000 0.886 301 S HN 1.202 nan 8.310 nan 0.000 0.513 302 T N -1.003 113.572 114.554 0.034 0.000 2.855 302 T HA 0.677 5.027 4.350 -0.000 0.000 0.281 302 T C -1.601 173.144 174.700 0.074 0.000 1.007 302 T CA -1.814 60.342 62.100 0.094 0.000 1.009 302 T CB 1.831 70.784 68.868 0.142 0.000 0.983 302 T HN -0.086 nan 8.240 nan 0.000 0.455 303 P HA -0.161 nan 4.420 nan 0.000 0.213 303 P C 1.756 179.099 177.300 0.072 0.000 1.176 303 P CA 0.789 63.932 63.100 0.072 0.000 0.919 303 P CB -0.075 31.669 31.700 0.072 0.000 0.791 304 V N -0.299 119.659 119.914 0.073 0.000 2.244 304 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 304 V C 2.608 178.744 176.094 0.071 0.000 1.042 304 V CA 2.590 64.929 62.300 0.065 0.000 1.006 304 V CB -2.012 29.848 31.823 0.061 0.000 0.641 304 V HN 0.209 nan 8.190 nan 0.000 0.446 305 G N -0.241 108.606 108.800 0.079 0.000 2.440 305 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 305 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 305 G C 1.208 176.185 174.900 0.128 0.000 1.154 305 G CA 1.217 46.375 45.100 0.097 0.000 0.767 305 G HN 0.512 nan 8.290 nan 0.000 0.552 306 D N 0.105 120.570 120.400 0.108 0.000 2.123 306 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 306 D C 2.916 179.355 176.300 0.232 0.000 0.992 306 D CA 1.657 55.754 54.000 0.163 0.000 0.833 306 D CB -0.510 40.360 40.800 0.117 0.000 0.954 306 D HN 0.373 nan 8.370 nan 0.000 0.455 307 V N -1.313 118.692 119.914 0.151 0.000 2.548 307 V HA -0.052 4.068 4.120 -0.000 0.000 0.249 307 V C 2.010 178.153 176.094 0.082 0.000 1.055 307 V CA 1.014 63.380 62.300 0.110 0.000 1.065 307 V CB -0.351 31.515 31.823 0.071 0.000 0.681 307 V HN -0.078 nan 8.190 nan 0.000 0.462 308 K N 0.720 121.164 120.400 0.073 0.000 2.097 308 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 308 K C 2.210 178.840 176.600 0.050 0.000 1.049 308 K CA 2.053 58.361 56.287 0.035 0.000 0.933 308 K CB -0.260 32.244 32.500 0.008 0.000 0.717 308 K HN 0.796 nan 8.250 nan 0.000 0.442 309 E N 0.778 121.056 120.200 0.129 0.000 2.072 309 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 309 E C 2.116 178.809 176.600 0.155 0.000 0.985 309 E CA 0.589 57.107 56.400 0.197 0.000 0.801 309 E CB 0.030 29.940 29.700 0.351 0.000 0.750 309 E HN 0.156 nan 8.360 nan 0.000 0.452 310 L N 0.470 121.769 121.223 0.127 0.000 2.083 310 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 310 L C 2.687 179.578 176.870 0.037 0.000 1.083 310 L CA 1.076 55.943 54.840 0.045 0.000 0.752 310 L CB -0.519 41.527 42.059 -0.021 0.000 0.899 310 L HN 0.251 nan 8.230 nan 0.000 0.433 311 A N 0.000 122.841 122.820 0.035 0.000 1.902 311 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 311 A C 2.530 180.126 177.584 0.020 0.000 1.181 311 A CA 1.700 53.748 52.037 0.018 0.000 0.623 311 A CB -0.625 18.379 19.000 0.008 0.000 0.818 311 A HN 0.406 nan 8.150 nan 0.000 0.443 312 A N -0.082 122.750 122.820 0.020 0.000 1.898 312 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 312 A C 2.116 179.738 177.584 0.063 0.000 1.181 312 A CA 1.458 53.498 52.037 0.006 0.000 0.620 312 A CB -0.592 18.385 19.000 -0.039 0.000 0.819 312 A HN 0.489 nan 8.150 nan 0.000 0.442 313 I N -0.834 119.813 120.570 0.127 0.000 2.226 313 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 313 I C 2.782 179.037 176.117 0.230 0.000 1.100 313 I CA 1.373 62.816 61.300 0.239 0.000 1.374 313 I CB -0.341 37.769 38.000 0.184 0.000 1.057 313 I HN 0.307 nan 8.210 nan 0.000 0.413 314 R N 0.357 120.925 120.500 0.113 0.000 2.081 314 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 314 R C 2.231 178.570 176.300 0.065 0.000 1.131 314 R CA 1.669 57.819 56.100 0.083 0.000 0.960 314 R CB -0.344 29.977 30.300 0.035 0.000 0.856 314 R HN 0.446 nan 8.270 nan 0.000 0.436 315 E N 0.406 120.624 120.200 0.031 0.000 2.072 315 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 315 E C 1.895 178.466 176.600 -0.048 0.000 0.985 315 E CA 1.054 57.448 56.400 -0.009 0.000 0.801 315 E CB 0.227 29.911 29.700 -0.027 0.000 0.750 315 E HN 0.079 nan 8.360 nan 0.000 0.452 316 V N 0.061 119.925 119.914 -0.084 0.000 2.358 316 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 316 V C 1.722 177.580 176.094 -0.393 0.000 1.047 316 V CA 1.661 63.788 62.300 -0.288 0.000 1.035 316 V CB -0.391 31.158 31.823 -0.456 0.000 0.658 316 V HN 0.294 nan 8.190 nan 0.000 0.452 317 F N -0.408 119.537 119.950 -0.008 0.000 2.714 317 F HA 0.435 4.962 4.527 -0.000 0.000 0.294 317 F C 1.957 177.751 175.800 -0.011 0.000 1.120 317 F CA 0.620 58.615 58.000 -0.009 0.000 1.398 317 F CB -0.460 38.533 39.000 -0.013 0.000 1.120 317 F HN 0.257 nan 8.300 nan 0.000 0.589 318 G N 1.869 110.752 108.800 0.137 0.000 2.692 318 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.339 318 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.339 318 G C 1.119 176.067 174.900 0.081 0.000 1.226 318 G CA 1.050 46.198 45.100 0.079 0.000 0.979 318 G HN 0.412 nan 8.290 nan 0.000 0.549 319 D N 0.778 121.217 120.400 0.065 0.000 2.323 319 D HA 0.015 4.655 4.640 -0.000 0.000 0.209 319 D C 1.426 177.760 176.300 0.056 0.000 0.973 319 D CA 0.977 55.005 54.000 0.048 0.000 0.874 319 D CB 0.032 40.852 40.800 0.033 0.000 0.930 319 D HN 0.507 nan 8.370 nan 0.000 0.521 320 K N 1.074 121.536 120.400 0.102 0.000 2.969 320 K HA 0.177 4.497 4.320 -0.000 0.000 0.222 320 K C -0.176 176.466 176.600 0.070 0.000 1.172 320 K CA -0.257 56.091 56.287 0.102 0.000 1.192 320 K CB 0.780 33.371 32.500 0.152 0.000 1.111 320 K HN -0.124 nan 8.250 nan 0.000 0.457 321 S N 3.137 118.840 115.700 0.004 0.000 2.537 321 S HA 0.106 4.576 4.470 -0.000 0.000 0.286 321 S C -1.772 172.661 174.600 -0.280 0.000 1.299 321 S CA -1.126 56.980 58.200 -0.156 0.000 1.067 321 S CB 0.397 63.549 63.200 -0.081 0.000 0.864 321 S HN 0.269 nan 8.310 nan 0.000 0.494 322 P HA 0.379 nan 4.420 nan 0.000 0.279 322 P C -1.014 176.151 177.300 -0.226 0.000 1.276 322 P CA -0.698 62.187 63.100 -0.359 0.000 0.801 322 P CB 0.573 31.968 31.700 -0.508 0.000 1.127 323 A N 0.678 123.431 122.820 -0.111 0.000 2.483 323 A HA 0.440 4.760 4.320 -0.000 0.000 0.238 323 A C 0.240 177.790 177.584 -0.057 0.000 1.070 323 A CA 0.084 52.107 52.037 -0.024 0.000 0.770 323 A CB -0.701 18.346 19.000 0.079 0.000 1.008 323 A HN 0.483 nan 8.150 nan 0.000 0.497 324 I N 1.006 121.562 120.570 -0.024 0.000 2.686 324 I HA 0.486 4.656 4.170 -0.000 0.000 0.295 324 I C -0.151 176.027 176.117 0.103 0.000 1.114 324 I CA -0.187 61.070 61.300 -0.071 0.000 1.038 324 I CB 2.641 40.574 38.000 -0.112 0.000 1.238 324 I HN 0.789 nan 8.210 nan 0.000 0.420 325 S N 3.637 119.437 115.700 0.166 0.000 2.537 325 S HA 0.841 5.311 4.470 -0.000 0.000 0.270 325 S C -0.972 173.736 174.600 0.181 0.000 1.142 325 S CA -0.817 57.521 58.200 0.231 0.000 0.870 325 S CB 2.024 65.380 63.200 0.259 0.000 1.112 325 S HN 0.773 nan 8.310 nan 0.000 0.466 326 A N 2.117 125.014 122.820 0.128 0.000 2.341 326 A HA 0.574 4.894 4.320 -0.000 0.000 0.326 326 A C 1.215 178.795 177.584 -0.007 0.000 1.402 326 A CA -0.214 51.824 52.037 0.001 0.000 0.957 326 A CB -0.406 18.479 19.000 -0.192 0.000 1.151 326 A HN 1.315 nan 8.150 nan 0.000 0.533 327 T N 0.239 114.812 114.554 0.031 0.000 3.025 327 T HA -0.164 4.186 4.350 -0.000 0.000 0.270 327 T C 1.675 176.350 174.700 -0.041 0.000 1.126 327 T CA 1.245 63.337 62.100 -0.013 0.000 1.105 327 T CB -0.282 68.591 68.868 0.008 0.000 0.884 327 T HN 0.571 nan 8.240 nan 0.000 0.522 328 R N 1.673 122.145 120.500 -0.047 0.000 2.127 328 R HA 0.120 4.460 4.340 -0.000 0.000 0.238 328 R C 2.565 178.827 176.300 -0.064 0.000 1.134 328 R CA 1.326 57.386 56.100 -0.065 0.000 0.975 328 R CB -0.972 29.231 30.300 -0.163 0.000 0.865 328 R HN 0.490 nan 8.270 nan 0.000 0.447 329 A N -0.171 122.598 122.820 -0.085 0.000 2.024 329 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 329 A C 2.082 179.637 177.584 -0.048 0.000 1.164 329 A CA 1.687 53.680 52.037 -0.073 0.000 0.643 329 A CB -0.356 18.599 19.000 -0.075 0.000 0.806 329 A HN 0.398 nan 8.150 nan 0.000 0.451 330 M N -1.221 118.348 119.600 -0.053 0.000 2.447 330 M HA -0.046 4.434 4.480 -0.000 0.000 0.266 330 M C 2.259 178.536 176.300 -0.040 0.000 1.120 330 M CA 1.666 56.933 55.300 -0.054 0.000 1.166 330 M CB -0.003 32.541 32.600 -0.093 0.000 1.349 330 M HN 0.623 nan 8.290 nan 0.000 0.463 331 T N -2.664 111.869 114.554 -0.034 0.000 3.037 331 T HA 0.450 4.800 4.350 -0.000 0.000 0.252 331 T C 1.048 175.776 174.700 0.047 0.000 1.073 331 T CA 0.425 62.527 62.100 0.004 0.000 1.091 331 T CB 0.115 69.010 68.868 0.045 0.000 0.935 331 T HN 0.524 nan 8.240 nan 0.000 0.488 332 G N 1.047 109.883 108.800 0.061 0.000 2.685 332 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.387 332 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.387 332 G C -0.993 173.995 174.900 0.146 0.000 1.324 332 G CA -0.357 44.815 45.100 0.119 0.000 0.878 332 G HN 0.879 nan 8.290 nan 0.000 0.527 333 H N 0.192 119.284 119.070 0.036 0.000 2.595 333 H HA 0.647 5.203 4.556 -0.000 0.000 0.313 333 H C 1.358 176.640 175.328 -0.077 0.000 1.023 333 H CA 0.028 56.016 56.048 -0.100 0.000 1.218 333 H CB 0.974 30.528 29.762 -0.345 0.000 1.403 333 H HN 0.927 nan 8.280 nan 0.000 0.477 334 S N 4.993 120.649 115.700 -0.073 0.000 2.710 334 S HA 0.148 4.618 4.470 -0.000 0.000 0.224 334 S C 1.151 175.600 174.600 -0.252 0.000 0.948 334 S CA 0.037 58.154 58.200 -0.140 0.000 0.949 334 S CB -0.781 62.386 63.200 -0.054 0.000 0.778 334 S HN 0.728 nan 8.310 nan 0.000 0.498 335 L N -0.110 120.738 121.223 -0.624 0.000 5.154 335 L HA -0.360 3.980 4.340 -0.000 0.000 0.053 335 L C 2.294 179.085 176.870 -0.131 0.000 3.137 335 L CA 1.460 56.020 54.840 -0.466 0.000 1.466 335 L CB -2.094 39.786 42.059 -0.298 0.000 2.980 335 L HN 0.428 nan 8.230 nan 0.000 0.938 336 G N -1.022 107.753 108.800 -0.042 0.000 2.450 336 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.220 336 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.220 336 G C 1.326 176.231 174.900 0.008 0.000 1.130 336 G CA 1.465 46.577 45.100 0.020 0.000 0.760 336 G HN 0.881 nan 8.290 nan 0.000 0.557 337 A N 0.472 123.285 122.820 -0.012 0.000 2.169 337 A HA 0.593 4.913 4.320 -0.000 0.000 0.212 337 A C 2.599 180.156 177.584 -0.046 0.000 1.153 337 A CA 1.396 53.421 52.037 -0.020 0.000 0.756 337 A CB -0.293 18.698 19.000 -0.015 0.000 0.813 337 A HN 0.583 nan 8.150 nan 0.000 0.471 338 A N 0.059 122.862 122.820 -0.029 0.000 1.902 338 A HA 0.090 4.409 4.320 -0.000 0.000 0.217 338 A C 2.353 179.904 177.584 -0.054 0.000 1.181 338 A CA 1.891 53.925 52.037 -0.006 0.000 0.623 338 A CB -1.301 17.763 19.000 0.108 0.000 0.818 338 A HN 0.659 nan 8.150 nan 0.000 0.443 339 G N -0.877 107.896 108.800 -0.045 0.000 2.446 339 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 339 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 339 G C 1.657 176.485 174.900 -0.119 0.000 1.168 339 G CA 1.318 46.370 45.100 -0.079 0.000 0.771 339 G HN 0.587 nan 8.290 nan 0.000 0.551 340 V N 0.225 120.069 119.914 -0.116 0.000 2.358 340 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 340 V C 2.751 178.701 176.094 -0.240 0.000 1.047 340 V CA 2.551 64.763 62.300 -0.147 0.000 1.035 340 V CB -0.295 31.462 31.823 -0.110 0.000 0.658 340 V HN 0.523 nan 8.190 nan 0.000 0.452 341 Q N -0.421 119.208 119.800 -0.286 0.000 2.084 341 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 341 Q C 2.147 177.583 176.000 -0.940 0.000 0.978 341 Q CA 2.194 57.664 55.803 -0.555 0.000 0.844 341 Q CB -0.151 28.331 28.738 -0.427 0.000 0.898 341 Q HN 0.714 nan 8.270 nan 0.000 0.426 342 E N 0.374 120.259 120.200 -0.524 0.000 2.208 342 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 342 E C 1.832 178.316 176.600 -0.195 0.000 0.988 342 E CA 0.725 56.934 56.400 -0.318 0.000 0.828 342 E CB -0.008 29.652 29.700 -0.066 0.000 0.763 342 E HN 0.344 nan 8.360 nan 0.000 0.478 343 A N 0.810 123.509 122.820 -0.202 0.000 1.930 343 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 343 A C 2.118 179.607 177.584 -0.158 0.000 1.175 343 A CA 0.919 52.874 52.037 -0.136 0.000 0.627 343 A CB -0.403 18.517 19.000 -0.133 0.000 0.815 343 A HN 0.151 nan 8.150 nan 0.000 0.443 344 I N -1.510 118.904 120.570 -0.260 0.000 2.252 344 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 344 I C 2.280 178.343 176.117 -0.090 0.000 1.102 344 I CA 1.130 62.292 61.300 -0.229 0.000 1.385 344 I CB -0.404 37.432 38.000 -0.272 0.000 1.064 344 I HN 0.374 nan 8.210 nan 0.000 0.414 345 Y N 0.795 121.079 120.300 -0.027 0.000 2.181 345 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 345 Y C 2.937 178.816 175.900 -0.035 0.000 1.146 345 Y CA 0.822 58.917 58.100 -0.009 0.000 1.164 345 Y CB -1.425 37.039 38.460 0.006 0.000 0.982 345 Y HN 0.098 nan 8.280 nan 0.000 0.515 346 S N 0.166 115.943 115.700 0.129 0.000 2.368 346 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 346 S C 2.175 176.788 174.600 0.022 0.000 1.030 346 S CA 1.233 59.496 58.200 0.106 0.000 0.999 346 S CB -0.678 62.603 63.200 0.135 0.000 0.844 346 S HN 0.361 nan 8.310 nan 0.000 0.459 347 L N 0.941 122.162 121.223 -0.004 0.000 2.083 347 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 347 L C 2.196 179.095 176.870 0.049 0.000 1.083 347 L CA 0.911 55.743 54.840 -0.014 0.000 0.752 347 L CB -0.496 41.477 42.059 -0.142 0.000 0.899 347 L HN 0.295 nan 8.230 nan 0.000 0.433 348 L N -1.167 120.107 121.223 0.086 0.000 2.056 348 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 348 L C 2.635 179.647 176.870 0.237 0.000 1.078 348 L CA 1.225 56.230 54.840 0.275 0.000 0.749 348 L CB -0.324 41.920 42.059 0.308 0.000 0.901 348 L HN 0.301 nan 8.230 nan 0.000 0.433 349 M N -0.831 118.687 119.600 -0.138 0.000 2.117 349 M HA -0.236 4.244 4.480 -0.000 0.000 0.262 349 M C 2.305 178.457 176.300 -0.246 0.000 1.065 349 M CA 1.593 56.526 55.300 -0.612 0.000 1.114 349 M CB -0.346 31.727 32.600 -0.879 0.000 1.361 349 M HN 0.213 nan 8.290 nan 0.000 0.408 350 L N 0.596 121.758 121.223 -0.101 0.000 2.027 350 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 350 L C 2.279 179.151 176.870 0.003 0.000 1.074 350 L CA 2.002 56.825 54.840 -0.029 0.000 0.745 350 L CB -0.602 41.467 42.059 0.016 0.000 0.898 350 L HN 0.204 nan 8.230 nan 0.000 0.433 351 E N -1.118 119.100 120.200 0.030 0.000 2.051 351 E HA -0.219 4.130 4.350 -0.000 0.000 0.192 351 E C 1.974 178.416 176.600 -0.263 0.000 0.991 351 E CA 1.651 58.009 56.400 -0.071 0.000 0.799 351 E CB -0.176 29.512 29.700 -0.020 0.000 0.748 351 E HN 0.624 nan 8.360 nan 0.000 0.449 352 H N -1.179 118.009 119.070 0.197 0.000 2.539 352 H HA 0.256 4.812 4.556 -0.000 0.000 0.269 352 H C 0.704 176.183 175.328 0.253 0.000 0.980 352 H CA 0.704 56.896 56.048 0.241 0.000 1.152 352 H CB 0.445 30.418 29.762 0.350 0.000 1.407 352 H HN 0.307 nan 8.280 nan 0.000 0.564 353 G N 1.730 110.649 108.800 0.199 0.000 2.324 353 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.292 353 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.292 353 G C -0.198 174.832 174.900 0.217 0.000 1.079 353 G CA 0.621 45.803 45.100 0.136 0.000 1.026 353 G HN 0.524 nan 8.290 nan 0.000 0.506 354 F N -2.011 117.925 119.950 -0.024 0.000 2.686 354 F HA 0.828 5.355 4.527 -0.000 0.000 0.311 354 F C -0.757 174.951 175.800 -0.152 0.000 1.128 354 F CA -2.221 55.743 58.000 -0.059 0.000 0.946 354 F CB 1.236 40.214 39.000 -0.037 0.000 1.336 354 F HN 0.041 nan 8.300 nan 0.000 0.457 355 I N 2.639 123.045 120.570 -0.273 0.000 2.389 355 I HA 0.612 4.782 4.170 -0.000 0.000 0.288 355 I C 0.075 176.096 176.117 -0.161 0.000 0.999 355 I CA -1.075 59.933 61.300 -0.487 0.000 1.129 355 I CB 1.738 39.574 38.000 -0.273 0.000 1.288 355 I HN 0.961 nan 8.210 nan 0.000 0.444 356 A N 9.117 131.785 122.820 -0.252 0.000 2.425 356 A HA 0.500 4.820 4.320 -0.000 0.000 0.249 356 A C -2.341 175.264 177.584 0.035 0.000 1.084 356 A CA -1.052 51.017 52.037 0.054 0.000 0.781 356 A CB -0.300 18.717 19.000 0.029 0.000 1.019 356 A HN 0.432 nan 8.150 nan 0.000 0.490 357 P HA 0.127 nan 4.420 nan 0.000 0.277 357 P C -0.343 176.987 177.300 0.051 0.000 1.240 357 P CA -0.225 62.907 63.100 0.054 0.000 0.798 357 P CB 1.175 32.900 31.700 0.041 0.000 0.979 358 S N 2.478 118.220 115.700 0.070 0.000 2.409 358 S HA 0.353 4.823 4.470 -0.000 0.000 0.308 358 S C 0.641 175.268 174.600 0.046 0.000 1.080 358 S CA -0.796 57.448 58.200 0.073 0.000 1.081 358 S CB -1.346 61.941 63.200 0.145 0.000 1.009 358 S HN 0.333 nan 8.310 nan 0.000 0.502 359 I N 1.927 122.505 120.570 0.014 0.000 3.110 359 I HA 0.498 4.668 4.170 -0.000 0.000 0.314 359 I C 0.384 176.497 176.117 -0.007 0.000 1.020 359 I CA -0.610 60.692 61.300 0.004 0.000 1.169 359 I CB 0.344 38.339 38.000 -0.009 0.000 1.437 359 I HN 0.496 nan 8.210 nan 0.000 0.595 360 N N 0.897 119.592 118.700 -0.009 0.000 2.782 360 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 360 N C -0.580 174.928 175.510 -0.003 0.000 1.101 360 N CA 0.959 53.996 53.050 -0.022 0.000 0.764 360 N CB -1.529 36.918 38.487 -0.066 0.000 1.122 360 N HN 0.619 nan 8.380 nan 0.000 0.561 361 I N 1.283 121.868 120.570 0.025 0.000 2.256 361 I HA 0.058 4.228 4.170 -0.000 0.000 0.294 361 I C 1.420 177.566 176.117 0.048 0.000 1.127 361 I CA -0.055 61.273 61.300 0.047 0.000 1.247 361 I CB 0.457 38.502 38.000 0.074 0.000 1.460 361 I HN 0.029 nan 8.210 nan 0.000 0.511 362 E N 3.852 124.086 120.200 0.057 0.000 2.250 362 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 362 E C 0.489 177.134 176.600 0.075 0.000 0.986 362 E CA 0.542 56.983 56.400 0.068 0.000 0.849 362 E CB 0.505 30.259 29.700 0.090 0.000 0.797 362 E HN 0.532 nan 8.360 nan 0.000 0.482 363 E N 1.153 121.398 120.200 0.075 0.000 2.361 363 E HA 0.141 4.491 4.350 -0.000 0.000 0.270 363 E C -1.465 175.153 176.600 0.029 0.000 0.911 363 E CA -0.562 55.870 56.400 0.054 0.000 0.818 363 E CB 1.013 30.754 29.700 0.068 0.000 1.332 363 E HN -0.072 nan 8.360 nan 0.000 0.402 364 L N 4.278 125.518 121.223 0.029 0.000 2.499 364 L HA 0.122 4.462 4.340 -0.000 0.000 0.273 364 L C 0.188 177.065 176.870 0.012 0.000 1.195 364 L CA 0.504 55.361 54.840 0.029 0.000 0.882 364 L CB 0.693 42.761 42.059 0.016 0.000 1.133 364 L HN 0.585 nan 8.230 nan 0.000 0.483 365 D N 3.754 124.170 120.400 0.026 0.000 2.488 365 D HA -0.071 4.569 4.640 -0.000 0.000 0.238 365 D C 0.753 177.052 176.300 -0.002 0.000 1.138 365 D CA 0.229 54.236 54.000 0.012 0.000 0.873 365 D CB 0.877 41.708 40.800 0.050 0.000 1.183 365 D HN 0.716 nan 8.370 nan 0.000 0.458 366 E N 2.102 122.298 120.200 -0.007 0.000 2.118 366 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 366 E C 1.422 178.015 176.600 -0.011 0.000 0.992 366 E CA 1.010 57.406 56.400 -0.008 0.000 0.804 366 E CB 0.066 29.763 29.700 -0.005 0.000 0.741 366 E HN 0.594 nan 8.360 nan 0.000 0.458 367 Q N -0.600 119.197 119.800 -0.006 0.000 2.515 367 Q HA 0.050 4.390 4.340 -0.000 0.000 0.214 367 Q C 1.184 177.163 176.000 -0.036 0.000 0.971 367 Q CA 0.333 56.130 55.803 -0.011 0.000 0.952 367 Q CB 0.372 29.112 28.738 0.004 0.000 0.999 367 Q HN 0.164 nan 8.270 nan 0.000 0.524 368 A N 0.133 122.920 122.820 -0.055 0.000 2.390 368 A HA 0.449 4.769 4.320 -0.000 0.000 0.232 368 A C 0.845 178.375 177.584 -0.091 0.000 1.233 368 A CA -0.106 51.861 52.037 -0.116 0.000 0.907 368 A CB 0.336 19.233 19.000 -0.170 0.000 0.967 368 A HN 0.279 nan 8.150 nan 0.000 0.512 369 A N -0.562 122.227 122.820 -0.052 0.000 2.540 369 A HA 0.431 4.751 4.320 -0.000 0.000 0.239 369 A C 1.630 179.189 177.584 -0.041 0.000 1.061 369 A CA 0.770 52.783 52.037 -0.039 0.000 0.758 369 A CB -0.592 18.394 19.000 -0.023 0.000 0.991 369 A HN 1.958 nan 8.150 nan 0.000 0.502 370 G N 0.835 109.613 108.800 -0.037 0.000 2.179 370 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 370 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 370 G C 0.097 174.969 174.900 -0.046 0.000 0.977 370 G CA 0.486 45.566 45.100 -0.033 0.000 0.641 370 G HN 0.775 nan 8.290 nan 0.000 0.533 371 L N -0.107 121.074 121.223 -0.070 0.000 2.387 371 L HA 0.440 4.780 4.340 -0.000 0.000 0.266 371 L C 0.867 177.685 176.870 -0.086 0.000 1.059 371 L CA -0.754 54.031 54.840 -0.091 0.000 0.801 371 L CB 1.373 43.348 42.059 -0.141 0.000 1.223 371 L HN 0.223 nan 8.230 nan 0.000 0.456 372 N N 1.824 120.470 118.700 -0.090 0.000 3.234 372 N HA 0.189 4.929 4.740 -0.000 0.000 0.272 372 N C -0.843 174.632 175.510 -0.059 0.000 1.254 372 N CA -0.603 52.409 53.050 -0.064 0.000 1.087 372 N CB 0.368 38.823 38.487 -0.053 0.000 1.356 372 N HN 0.336 nan 8.380 nan 0.000 0.511 373 I N 2.970 123.500 120.570 -0.066 0.000 2.379 373 I HA 0.088 4.258 4.170 -0.000 0.000 0.290 373 I C 0.419 176.547 176.117 0.018 0.000 1.063 373 I CA -0.367 60.910 61.300 -0.038 0.000 1.351 373 I CB 0.821 38.779 38.000 -0.070 0.000 1.410 373 I HN 0.083 nan 8.210 nan 0.000 0.505 374 V N 7.247 127.193 119.914 0.054 0.000 2.455 374 V HA 0.137 4.257 4.120 -0.000 0.000 0.273 374 V C 1.285 177.418 176.094 0.066 0.000 1.045 374 V CA -0.055 62.280 62.300 0.059 0.000 0.976 374 V CB 0.905 32.773 31.823 0.075 0.000 0.993 374 V HN 0.913 nan 8.190 nan 0.000 0.475 375 T N 0.424 115.007 114.554 0.049 0.000 3.085 375 T HA 0.365 4.715 4.350 -0.000 0.000 0.264 375 T C 0.124 174.846 174.700 0.037 0.000 1.019 375 T CA -0.255 61.873 62.100 0.047 0.000 0.910 375 T CB 0.251 69.144 68.868 0.042 0.000 1.059 375 T HN 0.497 nan 8.240 nan 0.000 0.542 376 E N 1.081 121.303 120.200 0.037 0.000 2.308 376 E HA 0.458 4.808 4.350 -0.000 0.000 0.275 376 E C -0.976 175.650 176.600 0.043 0.000 0.890 376 E CA -0.399 56.020 56.400 0.032 0.000 0.754 376 E CB 1.874 31.589 29.700 0.024 0.000 1.207 376 E HN 0.087 nan 8.360 nan 0.000 0.426 377 T N 2.717 117.299 114.554 0.047 0.000 2.905 377 T HA 0.204 4.554 4.350 -0.000 0.000 0.299 377 T C -0.368 174.378 174.700 0.077 0.000 1.024 377 T CA 0.571 62.721 62.100 0.083 0.000 1.151 377 T CB 0.063 68.964 68.868 0.055 0.000 0.987 377 T HN 0.334 nan 8.240 nan 0.000 0.535 378 T N 3.944 118.562 114.554 0.106 0.000 2.879 378 T HA 0.273 4.623 4.350 -0.000 0.000 0.290 378 T C -0.559 174.206 174.700 0.109 0.000 0.993 378 T CA -0.913 61.233 62.100 0.076 0.000 0.975 378 T CB 1.362 70.257 68.868 0.044 0.000 0.981 378 T HN 0.428 nan 8.240 nan 0.000 0.439 379 D N 2.505 122.960 120.400 0.092 0.000 2.345 379 D HA 0.496 5.136 4.640 -0.000 0.000 0.247 379 D C 0.320 176.660 176.300 0.066 0.000 1.108 379 D CA 0.060 54.124 54.000 0.107 0.000 0.894 379 D CB 0.901 41.745 40.800 0.074 0.000 1.203 379 D HN 0.425 nan 8.370 nan 0.000 0.430 380 R N 1.274 121.811 120.500 0.061 0.000 2.764 380 R HA 0.046 4.386 4.340 -0.000 0.000 0.250 380 R C -1.330 174.984 176.300 0.024 0.000 1.122 380 R CA -0.586 55.532 56.100 0.030 0.000 1.022 380 R CB 1.020 31.327 30.300 0.011 0.000 1.266 380 R HN 0.384 nan 8.270 nan 0.000 0.454 381 E N 5.464 125.677 120.200 0.021 0.000 2.220 381 E HA 0.143 4.493 4.350 -0.000 0.000 0.272 381 E C -0.796 175.809 176.600 0.008 0.000 1.099 381 E CA -0.113 56.297 56.400 0.017 0.000 0.907 381 E CB 0.523 30.233 29.700 0.016 0.000 1.022 381 E HN 0.355 nan 8.360 nan 0.000 0.428 382 L N 3.699 124.921 121.223 -0.001 0.000 2.344 382 L HA 0.351 4.691 4.340 -0.000 0.000 0.272 382 L C 0.879 177.755 176.870 0.010 0.000 1.035 382 L CA -0.564 54.277 54.840 0.002 0.000 0.807 382 L CB 1.796 43.844 42.059 -0.018 0.000 1.237 382 L HN 0.588 nan 8.230 nan 0.000 0.442 383 T N -1.683 112.883 114.554 0.019 0.000 3.115 383 T HA 0.094 4.444 4.350 -0.000 0.000 0.256 383 T C 0.202 174.918 174.700 0.027 0.000 0.970 383 T CA 0.269 62.380 62.100 0.019 0.000 1.010 383 T CB 0.714 69.591 68.868 0.016 0.000 1.151 383 T HN 0.590 nan 8.240 nan 0.000 0.479 384 T N 2.968 117.543 114.554 0.036 0.000 2.841 384 T HA 0.687 5.037 4.350 -0.000 0.000 0.285 384 T C -0.735 174.000 174.700 0.058 0.000 0.991 384 T CA -0.679 61.448 62.100 0.044 0.000 0.966 384 T CB 1.995 70.890 68.868 0.045 0.000 0.962 384 T HN 0.237 nan 8.240 nan 0.000 0.438 385 V N 1.123 121.075 119.914 0.064 0.000 3.001 385 V HA 0.862 4.982 4.120 -0.000 0.000 0.314 385 V C -0.685 175.432 176.094 0.039 0.000 1.099 385 V CA -1.245 61.102 62.300 0.078 0.000 0.989 385 V CB 2.228 34.152 31.823 0.168 0.000 1.040 385 V HN 0.961 nan 8.190 nan 0.000 0.434 386 M N 2.824 122.413 119.600 -0.019 0.000 2.530 386 M HA 0.763 5.243 4.480 -0.000 0.000 0.307 386 M C -0.939 175.317 176.300 -0.073 0.000 1.161 386 M CA -0.289 55.004 55.300 -0.012 0.000 0.903 386 M CB 2.181 34.804 32.600 0.039 0.000 1.711 386 M HN 1.057 nan 8.290 nan 0.000 0.451 387 S N 3.214 118.885 115.700 -0.049 0.000 2.571 387 S HA 0.610 5.080 4.470 -0.000 0.000 0.284 387 S C -1.574 172.953 174.600 -0.122 0.000 1.128 387 S CA -0.786 57.361 58.200 -0.087 0.000 0.970 387 S CB 1.204 64.369 63.200 -0.059 0.000 1.039 387 S HN 0.848 nan 8.310 nan 0.000 0.485 388 N N 2.008 120.582 118.700 -0.211 0.000 2.417 388 N HA 0.577 5.316 4.740 -0.000 0.000 0.300 388 N C -1.381 173.791 175.510 -0.562 0.000 1.102 388 N CA -0.507 52.265 53.050 -0.463 0.000 0.886 388 N CB 1.895 39.942 38.487 -0.734 0.000 1.203 388 N HN 0.512 nan 8.380 nan 0.000 0.496 389 S N 1.400 116.671 115.700 -0.715 0.000 2.775 389 S HA 0.487 4.957 4.470 -0.000 0.000 0.277 389 S C -1.343 172.922 174.600 -0.559 0.000 1.156 389 S CA -0.592 57.342 58.200 -0.444 0.000 1.081 389 S CB 0.167 63.250 63.200 -0.196 0.000 1.054 389 S HN 0.280 nan 8.310 nan 0.000 0.482 390 F N 1.863 121.432 119.950 -0.635 0.000 2.382 390 F HA 0.667 5.193 4.527 -0.000 0.000 0.361 390 F C 0.835 176.295 175.800 -0.567 0.000 1.109 390 F CA -1.057 56.575 58.000 -0.614 0.000 1.031 390 F CB 1.211 39.809 39.000 -0.670 0.000 1.234 390 F HN 0.606 nan 8.300 nan 0.000 0.445 391 G N 1.526 110.321 108.800 -0.008 0.000 2.491 391 G HA2 0.559 4.519 3.960 -0.000 0.000 0.327 391 G HA3 0.559 4.519 3.960 -0.000 0.000 0.327 391 G C -0.778 174.169 174.900 0.077 0.000 1.189 391 G CA -0.655 44.498 45.100 0.087 0.000 0.956 391 G HN 0.235 nan 8.290 nan 0.000 0.491 392 F N -0.116 119.933 119.950 0.165 0.000 2.586 392 F HA 0.334 4.861 4.527 -0.000 0.000 0.344 392 F C 1.734 177.600 175.800 0.111 0.000 1.188 392 F CA 1.699 59.788 58.000 0.148 0.000 1.359 392 F CB 0.600 39.705 39.000 0.175 0.000 1.129 392 F HN 0.860 nan 8.300 nan 0.000 0.609 393 G N 0.306 109.264 108.800 0.264 0.000 2.159 393 G HA2 0.018 3.978 3.960 -0.000 0.000 0.256 393 G HA3 0.018 3.978 3.960 -0.000 0.000 0.256 393 G C 0.884 175.845 174.900 0.101 0.000 0.977 393 G CA 0.251 45.449 45.100 0.163 0.000 0.652 393 G HN 1.933 nan 8.290 nan 0.000 0.531 394 G N -1.105 107.739 108.800 0.074 0.000 2.273 394 G HA2 0.075 4.035 3.960 -0.000 0.000 0.280 394 G HA3 0.075 4.035 3.960 -0.000 0.000 0.280 394 G C 0.375 175.301 174.900 0.042 0.000 1.047 394 G CA 1.428 46.541 45.100 0.022 0.000 0.869 394 G HN 2.007 nan 8.290 nan 0.000 0.502 395 T N 0.264 114.876 114.554 0.096 0.000 2.795 395 T HA 0.589 4.939 4.350 -0.000 0.000 0.282 395 T C -0.060 174.762 174.700 0.203 0.000 0.980 395 T CA -0.598 61.600 62.100 0.162 0.000 1.012 395 T CB 0.414 69.413 68.868 0.219 0.000 0.936 395 T HN 0.317 nan 8.240 nan 0.000 0.457 396 N N 2.819 121.656 118.700 0.229 0.000 2.238 396 N HA 0.713 5.453 4.740 -0.000 0.000 0.302 396 N C -1.347 174.287 175.510 0.207 0.000 1.072 396 N CA -0.638 52.579 53.050 0.278 0.000 0.792 396 N CB 2.152 40.751 38.487 0.187 0.000 1.425 396 N HN 0.765 nan 8.380 nan 0.000 0.478 397 A N 0.704 123.566 122.820 0.070 0.000 2.455 397 A HA 0.764 5.084 4.320 -0.000 0.000 0.300 397 A C -0.866 176.719 177.584 0.002 0.000 1.040 397 A CA -0.480 51.520 52.037 -0.062 0.000 0.697 397 A CB 1.449 20.164 19.000 -0.474 0.000 1.265 397 A HN 0.441 nan 8.150 nan 0.000 0.407 398 T N 2.110 116.714 114.554 0.083 0.000 2.916 398 T HA 0.619 4.969 4.350 -0.000 0.000 0.298 398 T C -0.934 173.843 174.700 0.127 0.000 1.031 398 T CA -0.242 61.898 62.100 0.066 0.000 0.993 398 T CB 0.955 69.888 68.868 0.109 0.000 1.045 398 T HN 0.508 nan 8.240 nan 0.000 0.454 399 L N 2.600 123.866 121.223 0.071 0.000 2.365 399 L HA 0.806 5.146 4.340 -0.000 0.000 0.273 399 L C -0.843 176.062 176.870 0.059 0.000 1.000 399 L CA -1.100 53.790 54.840 0.083 0.000 0.819 399 L CB 2.093 44.165 42.059 0.021 0.000 1.284 399 L HN 0.325 nan 8.230 nan 0.000 0.418 400 V N 3.662 123.619 119.914 0.071 0.000 2.487 400 V HA 0.533 4.653 4.120 -0.000 0.000 0.298 400 V C -0.208 175.914 176.094 0.046 0.000 1.028 400 V CA -0.378 61.959 62.300 0.061 0.000 0.860 400 V CB 1.913 33.781 31.823 0.074 0.000 0.991 400 V HN 0.708 nan 8.190 nan 0.000 0.427 401 M N 4.910 124.533 119.600 0.038 0.000 2.393 401 M HA 0.657 5.137 4.480 -0.000 0.000 0.316 401 M C -0.583 175.736 176.300 0.032 0.000 1.087 401 M CA -0.453 54.864 55.300 0.028 0.000 0.937 401 M CB 2.613 35.224 32.600 0.019 0.000 1.668 401 M HN 0.552 nan 8.290 nan 0.000 0.438 402 R N 1.624 122.138 120.500 0.025 0.000 2.621 402 R HA 0.433 4.773 4.340 -0.000 0.000 0.284 402 R C -1.073 175.234 176.300 0.012 0.000 0.998 402 R CA -0.763 55.349 56.100 0.021 0.000 0.895 402 R CB 1.908 32.219 30.300 0.020 0.000 1.195 402 R HN 0.632 nan 8.270 nan 0.000 0.450 403 K N 3.392 123.798 120.400 0.011 0.000 2.489 403 K HA 0.082 4.402 4.320 -0.000 0.000 0.278 403 K C -0.221 176.371 176.600 -0.012 0.000 1.000 403 K CA 0.312 56.598 56.287 -0.002 0.000 1.012 403 K CB 0.512 33.011 32.500 -0.001 0.000 0.903 403 K HN 0.422 nan 8.250 nan 0.000 0.485 404 L N 2.844 124.050 121.223 -0.028 0.000 2.375 404 L HA 0.279 4.619 4.340 -0.000 0.000 0.268 404 L C 0.449 177.302 176.870 -0.027 0.000 1.058 404 L CA -1.048 53.775 54.840 -0.028 0.000 0.803 404 L CB 0.931 42.967 42.059 -0.040 0.000 1.212 404 L HN 0.384 nan 8.230 nan 0.000 0.451 405 K N 1.869 122.256 120.400 -0.021 0.000 2.416 405 K HA 0.155 4.475 4.320 -0.000 0.000 0.283 405 K C -0.609 175.978 176.600 -0.022 0.000 1.037 405 K CA 0.136 56.413 56.287 -0.018 0.000 0.995 405 K CB 0.246 32.738 32.500 -0.013 0.000 0.938 405 K HN 0.531 nan 8.250 nan 0.000 0.475 406 D N 0.000 120.388 120.400 -0.020 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.988 54.000 -0.019 0.000 0.868 406 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683