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 1ze1_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKHGILVAYK PKGPTSHDVV DEVRKKLKTR KVGHGGTLDP FACGVLIIGV DATA SEQUENCE NQGTRILEFY KDLKKVYWVK MRLGLITETF DITGEVVEER EcNVTEEEIR DATA SEQUENCE EAIFSFVGEY DQVPPAYSAK KYKGERLYKL AREGKIINLP PKRVKIFKIW DATA SEQUENCE DVNIEGRDVS FRVEVSPGTY IRSLCMDIGY KLGcGATAVE LVRESVGPHT DATA SEQUENCE IEESLNVFEA APEEIENRII PLEKCLEWLP RVVVHQESTK MILNGSQIHL DATA SEQUENCE EMLKEWDGFK KGEVVRVFNE EGRLLALAEA ERNSSFLETL RKHERQRRVL DATA SEQUENCE TLRKVFQT 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 0.000 176.253 176.300 -0.079 0.000 1.140 1 M CA 0.000 55.275 55.300 -0.042 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 K N 3.262 123.579 120.400 -0.138 0.000 2.219 2 K HA 0.502 4.821 4.320 -0.001 0.000 0.258 2 K C -0.777 175.616 176.600 -0.345 0.000 1.008 2 K CA 0.167 56.388 56.287 -0.110 0.000 0.928 2 K CB 0.490 32.944 32.500 -0.077 0.000 0.983 2 K HN 0.493 nan 8.250 nan 0.000 0.484 3 H N -0.784 118.272 119.070 -0.023 0.000 2.996 3 H HA 0.599 5.154 4.556 -0.001 0.000 0.368 3 H C 0.023 175.328 175.328 -0.038 0.000 1.185 3 H CA -0.493 55.543 56.048 -0.020 0.000 1.160 3 H CB 2.118 31.878 29.762 -0.002 0.000 1.820 3 H HN 0.739 nan 8.280 nan 0.000 0.547 4 G N 0.931 109.772 108.800 0.069 0.000 2.339 4 G HA2 0.211 4.170 3.960 -0.001 0.000 0.275 4 G HA3 0.211 4.170 3.960 -0.001 0.000 0.275 4 G C -2.052 172.812 174.900 -0.060 0.000 1.323 4 G CA -0.862 44.239 45.100 0.001 0.000 0.927 4 G HN 0.335 nan 8.290 nan 0.000 0.486 5 I N 0.753 121.257 120.570 -0.111 0.000 2.493 5 I HA 0.660 4.829 4.170 -0.001 0.000 0.298 5 I C -0.345 175.658 176.117 -0.190 0.000 0.998 5 I CA -0.904 60.263 61.300 -0.223 0.000 1.137 5 I CB 1.858 39.615 38.000 -0.404 0.000 1.310 5 I HN 0.521 nan 8.210 nan 0.000 0.445 6 L N 7.455 128.562 121.223 -0.192 0.000 2.356 6 L HA 0.536 4.875 4.340 -0.001 0.000 0.277 6 L C -1.075 175.701 176.870 -0.157 0.000 0.996 6 L CA -0.741 54.011 54.840 -0.146 0.000 0.822 6 L CB 1.879 43.872 42.059 -0.110 0.000 1.256 6 L HN 0.245 nan 8.230 nan 0.000 0.413 7 V N 5.851 125.684 119.914 -0.135 0.000 2.313 7 V HA 0.407 4.527 4.120 -0.001 0.000 0.252 7 V C 0.876 176.954 176.094 -0.026 0.000 1.112 7 V CA -0.336 61.906 62.300 -0.095 0.000 0.984 7 V CB 0.532 32.316 31.823 -0.064 0.000 1.157 7 V HN 0.871 nan 8.190 nan 0.000 0.493 8 A N 4.666 127.471 122.820 -0.025 0.000 2.282 8 A HA 0.739 5.059 4.320 -0.001 0.000 0.319 8 A C -1.018 176.610 177.584 0.073 0.000 1.121 8 A CA -0.514 51.526 52.037 0.006 0.000 0.836 8 A CB 0.815 19.782 19.000 -0.054 0.000 1.146 8 A HN 0.754 nan 8.150 nan 0.000 0.494 9 Y N 1.131 121.428 120.300 -0.005 0.000 2.328 9 Y HA 0.483 5.032 4.550 -0.001 0.000 0.337 9 Y C 0.078 176.022 175.900 0.073 0.000 0.966 9 Y CA -0.532 57.584 58.100 0.028 0.000 1.136 9 Y CB 1.135 39.614 38.460 0.032 0.000 1.170 9 Y HN 0.634 nan 8.280 nan 0.000 0.470 10 K N 8.896 128.927 120.400 -0.615 0.000 2.262 10 K HA 0.419 4.738 4.320 -0.001 0.000 0.282 10 K C -2.800 173.387 176.600 -0.688 0.000 1.066 10 K CA -1.969 54.082 56.287 -0.393 0.000 0.901 10 K CB 0.884 33.263 32.500 -0.203 0.000 1.089 10 K HN 0.438 nan 8.250 nan 0.000 0.476 11 P HA 0.017 nan 4.420 nan 0.000 0.274 11 P C -1.143 176.084 177.300 -0.122 0.000 1.237 11 P CA -0.479 62.544 63.100 -0.128 0.000 0.793 11 P CB 0.537 32.261 31.700 0.041 0.000 0.977 12 K N 1.759 122.129 120.400 -0.050 0.000 2.416 12 K HA 0.289 4.608 4.320 -0.001 0.000 0.283 12 K C 0.928 177.506 176.600 -0.036 0.000 1.037 12 K CA 1.082 57.345 56.287 -0.041 0.000 0.995 12 K CB -0.477 32.027 32.500 0.007 0.000 0.938 12 K HN 0.785 nan 8.250 nan 0.000 0.475 13 G N 5.426 114.209 108.800 -0.028 0.000 2.906 13 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.196 13 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.196 13 G C -2.416 172.461 174.900 -0.038 0.000 2.215 13 G CA -0.283 44.799 45.100 -0.030 0.000 1.518 13 G HN 0.634 nan 8.290 nan 0.000 0.495 14 P HA 0.387 nan 4.420 nan 0.000 0.272 14 P C 0.318 177.626 177.300 0.013 0.000 1.230 14 P CA 1.003 64.073 63.100 -0.050 0.000 0.788 14 P CB 0.883 32.501 31.700 -0.138 0.000 0.949 15 T N -2.180 112.402 114.554 0.046 0.000 2.824 15 T HA 0.186 4.536 4.350 -0.001 0.000 0.277 15 T C 1.425 176.167 174.700 0.070 0.000 0.975 15 T CA -0.435 61.696 62.100 0.053 0.000 0.966 15 T CB -0.039 68.860 68.868 0.051 0.000 1.054 15 T HN 0.257 nan 8.240 nan 0.000 0.533 16 S N -0.040 115.683 115.700 0.039 0.000 2.383 16 S HA -0.097 4.372 4.470 -0.001 0.000 0.227 16 S C 1.845 176.424 174.600 -0.036 0.000 1.026 16 S CA 1.097 59.271 58.200 -0.043 0.000 0.981 16 S CB -0.705 62.388 63.200 -0.178 0.000 0.818 16 S HN 0.810 nan 8.310 nan 0.000 0.472 17 H N 1.606 120.616 119.070 -0.100 0.000 2.421 17 H HA -0.016 4.539 4.556 -0.001 0.000 0.298 17 H C 1.738 177.082 175.328 0.028 0.000 1.087 17 H CA 1.339 57.373 56.048 -0.024 0.000 1.330 17 H CB -0.337 29.431 29.762 0.010 0.000 1.388 17 H HN 0.268 nan 8.280 nan 0.000 0.526 18 D N -0.461 120.044 120.400 0.175 0.000 2.144 18 D HA -0.116 4.524 4.640 -0.001 0.000 0.199 18 D C 2.271 178.682 176.300 0.184 0.000 0.984 18 D CA 0.774 54.893 54.000 0.198 0.000 0.834 18 D CB -0.295 40.645 40.800 0.233 0.000 0.955 18 D HN 0.184 nan 8.370 nan 0.000 0.465 19 V N 0.510 120.494 119.914 0.117 0.000 2.307 19 V HA -0.189 3.931 4.120 -0.001 0.000 0.245 19 V C 2.635 178.649 176.094 -0.132 0.000 1.045 19 V CA 0.976 63.219 62.300 -0.094 0.000 1.024 19 V CB -0.452 31.323 31.823 -0.079 0.000 0.651 19 V HN 0.062 nan 8.190 nan 0.000 0.449 20 V N 0.136 120.007 119.914 -0.071 0.000 2.343 20 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 20 V C 2.295 178.360 176.094 -0.048 0.000 1.051 20 V CA 2.147 64.409 62.300 -0.063 0.000 1.036 20 V CB -0.676 31.116 31.823 -0.052 0.000 0.654 20 V HN 0.569 nan 8.190 nan 0.000 0.451 21 D N -0.459 119.935 120.400 -0.009 0.000 2.144 21 D HA -0.171 4.468 4.640 -0.001 0.000 0.199 21 D C 2.197 178.489 176.300 -0.013 0.000 0.984 21 D CA 1.399 55.406 54.000 0.012 0.000 0.834 21 D CB 0.013 40.850 40.800 0.061 0.000 0.955 21 D HN 0.496 nan 8.370 nan 0.000 0.465 22 E N 0.669 120.838 120.200 -0.052 0.000 2.051 22 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 22 E C 2.104 178.626 176.600 -0.129 0.000 0.991 22 E CA 0.740 57.076 56.400 -0.107 0.000 0.799 22 E CB -0.200 29.296 29.700 -0.341 0.000 0.748 22 E HN 0.001 nan 8.360 nan 0.000 0.449 23 V N 0.844 120.663 119.914 -0.157 0.000 2.295 23 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 23 V C 2.620 178.665 176.094 -0.082 0.000 1.049 23 V CA 2.161 64.386 62.300 -0.126 0.000 1.024 23 V CB -0.616 31.131 31.823 -0.126 0.000 0.648 23 V HN 0.280 nan 8.190 nan 0.000 0.447 24 R N 0.331 120.792 120.500 -0.065 0.000 2.091 24 R HA -0.226 4.113 4.340 -0.001 0.000 0.238 24 R C 2.438 178.717 176.300 -0.035 0.000 1.136 24 R CA 2.048 58.121 56.100 -0.045 0.000 0.959 24 R CB -0.254 30.028 30.300 -0.031 0.000 0.856 24 R HN 0.506 nan 8.270 nan 0.000 0.437 25 K N 0.584 120.967 120.400 -0.029 0.000 2.026 25 K HA -0.159 4.160 4.320 -0.001 0.000 0.208 25 K C 1.706 178.294 176.600 -0.021 0.000 1.048 25 K CA 1.668 57.945 56.287 -0.016 0.000 0.929 25 K CB 0.089 32.588 32.500 -0.003 0.000 0.713 25 K HN 0.142 nan 8.250 nan 0.000 0.439 26 K N 0.290 120.670 120.400 -0.034 0.000 2.167 26 K HA -0.000 4.319 4.320 -0.001 0.000 0.203 26 K C 2.087 178.665 176.600 -0.035 0.000 1.052 26 K CA 0.734 57.002 56.287 -0.032 0.000 0.956 26 K CB 0.081 32.558 32.500 -0.040 0.000 0.735 26 K HN 0.155 nan 8.250 nan 0.000 0.451 27 L N 0.610 121.806 121.223 -0.045 0.000 2.240 27 L HA -0.023 4.317 4.340 -0.001 0.000 0.211 27 L C 0.233 177.078 176.870 -0.042 0.000 1.106 27 L CA 0.370 55.181 54.840 -0.048 0.000 0.793 27 L CB -0.111 41.911 42.059 -0.061 0.000 0.927 27 L HN 0.046 nan 8.230 nan 0.000 0.446 28 K N 0.361 120.740 120.400 -0.035 0.000 3.016 28 K HA -0.161 4.159 4.320 -0.001 0.000 0.262 28 K C 0.332 176.912 176.600 -0.035 0.000 1.043 28 K CA 0.953 57.222 56.287 -0.029 0.000 0.761 28 K CB -2.153 30.333 32.500 -0.023 0.000 1.230 28 K HN 0.394 nan 8.250 nan 0.000 0.485 29 T N -1.151 113.376 114.554 -0.046 0.000 2.914 29 T HA 0.286 4.635 4.350 -0.001 0.000 0.313 29 T C 1.502 176.175 174.700 -0.044 0.000 1.137 29 T CA -0.077 61.989 62.100 -0.056 0.000 0.946 29 T CB 0.728 69.547 68.868 -0.082 0.000 1.558 29 T HN 0.488 nan 8.240 nan 0.000 0.565 30 R N -0.446 120.025 120.500 -0.049 0.000 2.307 30 R HA 0.437 4.776 4.340 -0.001 0.000 0.200 30 R C 0.110 176.393 176.300 -0.028 0.000 0.893 30 R CA -0.030 56.052 56.100 -0.030 0.000 1.042 30 R CB 0.264 30.552 30.300 -0.020 0.000 1.059 30 R HN 0.294 nan 8.270 nan 0.000 0.530 31 K N 0.653 121.030 120.400 -0.040 0.000 2.565 31 K HA 0.404 4.723 4.320 -0.001 0.000 0.251 31 K C -1.984 174.589 176.600 -0.045 0.000 0.956 31 K CA -0.599 55.668 56.287 -0.033 0.000 0.809 31 K CB 2.557 35.047 32.500 -0.017 0.000 1.267 31 K HN 0.015 nan 8.250 nan 0.000 0.438 32 V N 2.304 122.191 119.914 -0.044 0.000 2.841 32 V HA 0.929 5.049 4.120 -0.001 0.000 0.310 32 V C -0.013 176.045 176.094 -0.059 0.000 1.090 32 V CA -0.374 61.894 62.300 -0.053 0.000 0.930 32 V CB 1.944 33.735 31.823 -0.053 0.000 1.014 32 V HN 0.887 nan 8.190 nan 0.000 0.425 33 G N 1.654 110.413 108.800 -0.068 0.000 2.727 33 G HA2 0.810 4.769 3.960 -0.001 0.000 0.289 33 G HA3 0.810 4.769 3.960 -0.001 0.000 0.289 33 G C -1.606 173.252 174.900 -0.070 0.000 1.418 33 G CA -0.518 44.515 45.100 -0.111 0.000 0.818 33 G HN 1.154 nan 8.290 nan 0.000 0.486 34 H N -2.676 116.344 119.070 -0.084 0.000 2.949 34 H HA 0.816 5.372 4.556 -0.001 0.000 0.356 34 H C -0.274 175.041 175.328 -0.021 0.000 1.212 34 H CA -1.003 55.003 56.048 -0.070 0.000 1.136 34 H CB 1.980 31.686 29.762 -0.093 0.000 1.869 34 H HN 1.003 nan 8.280 nan 0.000 0.556 35 G N -0.686 108.233 108.800 0.198 0.000 2.719 35 G HA2 0.544 4.503 3.960 -0.001 0.000 0.284 35 G HA3 0.544 4.503 3.960 -0.001 0.000 0.284 35 G C -0.287 174.734 174.900 0.201 0.000 1.488 35 G CA -0.367 44.835 45.100 0.170 0.000 1.139 35 G HN 1.506 nan 8.290 nan 0.000 0.552 36 G N 1.740 110.665 108.800 0.210 0.000 2.940 36 G HA2 0.092 4.052 3.960 -0.001 0.000 0.273 36 G HA3 0.092 4.052 3.960 -0.001 0.000 0.273 36 G C 0.204 175.182 174.900 0.129 0.000 1.030 36 G CA -0.191 45.000 45.100 0.152 0.000 1.066 36 G HN 1.019 nan 8.290 nan 0.000 0.466 37 T N 1.984 116.605 114.554 0.112 0.000 2.795 37 T HA 0.487 4.837 4.350 -0.001 0.000 0.314 37 T C 0.872 175.601 174.700 0.048 0.000 1.069 37 T CA 0.093 62.215 62.100 0.037 0.000 1.071 37 T CB 1.117 70.014 68.868 0.048 0.000 0.988 37 T HN 0.553 nan 8.240 nan 0.000 0.543 38 L N 1.758 122.991 121.223 0.017 0.000 2.409 38 L HA 0.339 4.679 4.340 -0.001 0.000 0.272 38 L C -0.543 176.336 176.870 0.015 0.000 0.980 38 L CA -1.070 53.785 54.840 0.026 0.000 0.826 38 L CB 2.053 44.106 42.059 -0.010 0.000 1.268 38 L HN 0.609 nan 8.230 nan 0.000 0.407 39 D N 4.707 125.128 120.400 0.035 0.000 2.423 39 D HA 0.043 4.683 4.640 -0.001 0.000 0.238 39 D C -1.500 174.825 176.300 0.042 0.000 1.142 39 D CA -1.176 52.879 54.000 0.092 0.000 0.884 39 D CB 0.897 41.848 40.800 0.252 0.000 1.199 39 D HN 0.261 nan 8.370 nan 0.000 0.438 40 P HA -0.174 nan 4.420 nan 0.000 0.216 40 P C 1.318 178.666 177.300 0.080 0.000 1.154 40 P CA 1.160 64.305 63.100 0.075 0.000 0.865 40 P CB -0.063 31.693 31.700 0.094 0.000 0.789 41 F N -1.396 118.558 119.950 0.006 0.000 2.502 41 F HA 0.298 4.825 4.527 -0.000 0.000 0.298 41 F C 0.823 176.636 175.800 0.022 0.000 1.111 41 F CA -0.209 57.797 58.000 0.010 0.000 1.445 41 F CB -0.677 38.329 39.000 0.011 0.000 1.081 41 F HN -0.184 nan 8.300 nan 0.000 0.558 42 A N 0.288 122.643 122.820 -0.775 0.000 2.256 42 A HA 0.673 4.992 4.320 -0.001 0.000 0.318 42 A C -0.306 177.111 177.584 -0.279 0.000 1.103 42 A CA -0.082 51.557 52.037 -0.664 0.000 0.860 42 A CB 0.398 19.007 19.000 -0.651 0.000 1.182 42 A HN 0.718 nan 8.150 nan 0.000 0.501 43 C N -1.406 117.783 119.300 -0.184 0.000 2.994 43 C HA 1.062 5.522 4.460 -0.001 0.000 0.304 43 C C 0.377 175.293 174.990 -0.123 0.000 1.273 43 C CA 0.182 59.082 59.018 -0.198 0.000 1.537 43 C CB 0.928 28.608 27.740 -0.100 0.000 2.001 43 C HN 2.563 nan 8.230 nan 0.000 0.471 44 G N 0.348 108.987 108.800 -0.268 0.000 2.302 44 G HA2 0.392 4.352 3.960 -0.001 0.000 0.264 44 G HA3 0.392 4.352 3.960 -0.001 0.000 0.264 44 G C -1.317 173.571 174.900 -0.021 0.000 1.335 44 G CA -0.116 44.978 45.100 -0.010 0.000 0.982 44 G HN 1.591 nan 8.290 nan 0.000 0.473 45 V N 0.668 120.604 119.914 0.038 0.000 2.572 45 V HA 0.521 4.641 4.120 -0.001 0.000 0.291 45 V C 0.100 176.195 176.094 0.002 0.000 1.039 45 V CA 0.176 62.500 62.300 0.041 0.000 1.055 45 V CB 1.044 32.901 31.823 0.057 0.000 0.969 45 V HN 0.982 nan 8.190 nan 0.000 0.482 46 L N 6.855 128.078 121.223 -0.001 0.000 2.457 46 L HA 0.597 4.936 4.340 -0.001 0.000 0.266 46 L C -0.621 176.239 176.870 -0.016 0.000 0.979 46 L CA -0.188 54.647 54.840 -0.009 0.000 0.857 46 L CB 1.320 43.356 42.059 -0.039 0.000 1.213 46 L HN 0.475 nan 8.230 nan 0.000 0.418 47 I N 6.041 126.609 120.570 -0.003 0.000 2.618 47 I HA 0.203 4.373 4.170 -0.001 0.000 0.284 47 I C -0.132 175.943 176.117 -0.070 0.000 1.146 47 I CA 0.534 61.791 61.300 -0.072 0.000 1.425 47 I CB 0.404 38.359 38.000 -0.076 0.000 1.383 47 I HN 0.340 nan 8.210 nan 0.000 0.562 48 I N 6.208 126.705 120.570 -0.122 0.000 2.418 48 I HA 0.381 4.551 4.170 -0.001 0.000 0.287 48 I C 0.580 176.619 176.117 -0.129 0.000 1.008 48 I CA -0.386 60.858 61.300 -0.094 0.000 1.104 48 I CB 1.140 39.087 38.000 -0.087 0.000 1.264 48 I HN 0.586 nan 8.210 nan 0.000 0.438 49 G N 5.629 114.368 108.800 -0.102 0.000 2.356 49 G HA2 0.544 4.504 3.960 -0.001 0.000 0.298 49 G HA3 0.544 4.504 3.960 -0.001 0.000 0.298 49 G C -0.729 174.132 174.900 -0.066 0.000 1.145 49 G CA -0.255 44.791 45.100 -0.090 0.000 0.850 49 G HN 0.330 nan 8.290 nan 0.000 0.487 50 V N 4.296 124.177 119.914 -0.055 0.000 2.407 50 V HA 0.342 4.461 4.120 -0.001 0.000 0.291 50 V C 0.403 176.471 176.094 -0.043 0.000 1.018 50 V CA -0.851 61.411 62.300 -0.064 0.000 0.842 50 V CB 0.663 32.432 31.823 -0.090 0.000 0.996 50 V HN 1.009 nan 8.190 nan 0.000 0.426 51 N N 3.260 121.932 118.700 -0.046 0.000 1.293 51 N HA -0.290 4.450 4.740 -0.001 0.000 0.140 51 N C 1.292 176.898 175.510 0.159 0.000 0.753 51 N CA 1.649 54.700 53.050 0.003 0.000 0.979 51 N CB -0.557 37.800 38.487 -0.217 0.000 1.228 51 N HN 0.712 nan 8.380 nan 0.000 0.509 52 Q N 1.227 121.298 119.800 0.451 0.000 2.364 52 Q HA -0.026 4.314 4.340 -0.001 0.000 0.209 52 Q C 1.967 178.122 176.000 0.258 0.000 0.977 52 Q CA 1.619 57.613 55.803 0.318 0.000 0.885 52 Q CB -0.640 28.226 28.738 0.214 0.000 0.941 52 Q HN 0.729 nan 8.270 nan 0.000 0.464 53 G N 0.798 109.734 108.800 0.228 0.000 2.470 53 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.220 53 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.220 53 G C 1.533 176.494 174.900 0.101 0.000 1.121 53 G CA 1.417 46.602 45.100 0.142 0.000 0.766 53 G HN 0.509 nan 8.290 nan 0.000 0.553 54 T N -0.779 113.820 114.554 0.076 0.000 2.962 54 T HA -0.020 4.329 4.350 -0.001 0.000 0.270 54 T C 2.138 176.883 174.700 0.075 0.000 1.088 54 T CA 0.496 62.622 62.100 0.043 0.000 1.127 54 T CB -0.206 68.667 68.868 0.007 0.000 0.883 54 T HN 0.304 nan 8.240 nan 0.000 0.493 55 R N 1.422 121.978 120.500 0.094 0.000 2.328 55 R HA 0.165 4.505 4.340 -0.001 0.000 0.207 55 R C 1.884 178.287 176.300 0.173 0.000 1.056 55 R CA 1.040 57.185 56.100 0.076 0.000 1.016 55 R CB -0.673 29.616 30.300 -0.020 0.000 0.872 55 R HN 0.708 nan 8.270 nan 0.000 0.471 56 I N -3.464 117.260 120.570 0.256 0.000 3.936 56 I HA 0.144 4.313 4.170 -0.001 0.000 0.330 56 I C 1.227 177.675 176.117 0.552 0.000 1.509 56 I CA -0.145 61.413 61.300 0.429 0.000 1.126 56 I CB 0.126 38.322 38.000 0.326 0.000 1.115 56 I HN -0.120 nan 8.210 nan 0.000 0.424 57 L N 0.827 122.258 121.223 0.346 0.000 2.131 57 L HA -0.076 4.263 4.340 -0.001 0.000 0.210 57 L C 2.561 179.644 176.870 0.355 0.000 1.092 57 L CA 1.171 56.206 54.840 0.325 0.000 0.759 57 L CB -0.388 41.742 42.059 0.119 0.000 0.903 57 L HN 0.306 nan 8.230 nan 0.000 0.435 58 E N -0.035 120.309 120.200 0.240 0.000 2.130 58 E HA -0.230 4.119 4.350 -0.001 0.000 0.196 58 E C 2.097 178.743 176.600 0.076 0.000 0.998 58 E CA 1.459 57.911 56.400 0.086 0.000 0.806 58 E CB -0.350 29.311 29.700 -0.064 0.000 0.738 58 E HN 0.437 nan 8.360 nan 0.000 0.459 59 F N -0.247 119.805 119.950 0.169 0.000 2.171 59 F HA -0.188 4.338 4.527 -0.001 0.000 0.300 59 F C 2.175 178.022 175.800 0.078 0.000 1.090 59 F CA 1.024 59.090 58.000 0.110 0.000 1.293 59 F CB -0.671 38.358 39.000 0.049 0.000 1.013 59 F HN 0.073 nan 8.300 nan 0.000 0.486 60 Y N 0.107 120.635 120.300 0.380 0.000 2.314 60 Y HA -0.087 4.462 4.550 -0.001 0.000 0.293 60 Y C 2.054 178.063 175.900 0.180 0.000 1.129 60 Y CA 0.932 59.208 58.100 0.294 0.000 1.201 60 Y CB -0.626 37.987 38.460 0.255 0.000 0.999 60 Y HN -0.051 nan 8.280 nan 0.000 0.541 61 K N -0.151 120.413 120.400 0.273 0.000 2.365 61 K HA -0.117 4.203 4.320 -0.001 0.000 0.199 61 K C 0.531 177.199 176.600 0.113 0.000 1.045 61 K CA 1.285 57.672 56.287 0.168 0.000 0.962 61 K CB -0.055 32.519 32.500 0.125 0.000 0.759 61 K HN 0.297 nan 8.250 nan 0.000 0.469 62 D N 0.466 120.924 120.400 0.097 0.000 2.333 62 D HA 0.061 4.701 4.640 -0.001 0.000 0.208 62 D C 0.563 176.893 176.300 0.049 0.000 0.984 62 D CA 0.273 54.308 54.000 0.058 0.000 0.873 62 D CB 0.176 40.991 40.800 0.025 0.000 0.935 62 D HN 0.027 nan 8.370 nan 0.000 0.521 63 L N 0.815 122.065 121.223 0.046 0.000 2.476 63 L HA 0.124 4.463 4.340 -0.001 0.000 0.264 63 L C 0.937 177.819 176.870 0.019 0.000 1.224 63 L CA -0.064 54.758 54.840 -0.029 0.000 0.821 63 L CB 0.402 42.426 42.059 -0.058 0.000 1.101 63 L HN -0.218 nan 8.230 nan 0.000 0.488 64 K N 0.914 121.302 120.400 -0.019 0.000 2.126 64 K HA 0.340 4.659 4.320 -0.001 0.000 0.257 64 K C -0.817 175.823 176.600 0.067 0.000 1.007 64 K CA -0.628 55.697 56.287 0.065 0.000 0.928 64 K CB 0.758 33.258 32.500 0.000 0.000 1.013 64 K HN 0.265 nan 8.250 nan 0.000 0.473 65 K N 0.702 121.177 120.400 0.124 0.000 2.316 65 K HA 0.407 4.726 4.320 -0.001 0.000 0.251 65 K C -1.313 175.318 176.600 0.051 0.000 0.934 65 K CA -0.615 55.681 56.287 0.015 0.000 0.802 65 K CB 2.130 34.620 32.500 -0.017 0.000 1.171 65 K HN 0.190 nan 8.250 nan 0.000 0.426 66 V N 4.084 123.952 119.914 -0.077 0.000 2.444 66 V HA 0.452 4.572 4.120 -0.001 0.000 0.294 66 V C -1.227 174.813 176.094 -0.091 0.000 1.022 66 V CA -0.800 61.545 62.300 0.074 0.000 0.850 66 V CB 0.553 32.502 31.823 0.211 0.000 0.992 66 V HN 0.598 nan 8.190 nan 0.000 0.426 67 Y N 2.367 122.718 120.300 0.085 0.000 2.549 67 Y HA 0.589 5.138 4.550 -0.000 0.000 0.339 67 Y C -0.577 175.316 175.900 -0.012 0.000 1.053 67 Y CA -0.838 57.285 58.100 0.038 0.000 1.105 67 Y CB 1.996 40.448 38.460 -0.014 0.000 1.258 67 Y HN 0.707 nan 8.280 nan 0.000 0.478 68 W N 3.340 124.640 121.300 -0.001 0.000 2.475 68 W HA 0.704 5.364 4.660 0.000 0.000 0.320 68 W C -1.999 174.398 176.519 -0.203 0.000 1.022 68 W CA -0.975 56.273 57.345 -0.162 0.000 1.240 68 W CB 1.100 30.497 29.460 -0.105 0.000 1.328 68 W HN 0.414 nan 8.180 nan 0.000 0.439 69 V N 6.419 125.703 119.914 -1.049 0.000 3.046 69 V HA 0.657 4.776 4.120 -0.001 0.000 0.316 69 V C -1.273 174.053 176.094 -1.280 0.000 1.104 69 V CA -1.139 60.586 62.300 -0.958 0.000 1.006 69 V CB 2.167 33.521 31.823 -0.781 0.000 1.058 69 V HN 0.467 nan 8.190 nan 0.000 0.440 70 K N 5.455 125.407 120.400 -0.747 0.000 2.578 70 K HA 0.612 4.931 4.320 -0.001 0.000 0.250 70 K C -1.061 175.376 176.600 -0.271 0.000 0.955 70 K CA -0.624 55.340 56.287 -0.538 0.000 0.825 70 K CB 1.509 33.788 32.500 -0.369 0.000 1.151 70 K HN 0.828 nan 8.250 nan 0.000 0.432 71 M N 1.783 121.253 119.600 -0.216 0.000 2.456 71 M HA 0.555 5.034 4.480 -0.001 0.000 0.324 71 M C -0.705 175.541 176.300 -0.089 0.000 1.124 71 M CA -1.010 54.213 55.300 -0.129 0.000 0.959 71 M CB 2.131 34.663 32.600 -0.113 0.000 1.692 71 M HN 0.350 nan 8.290 nan 0.000 0.444 72 R N 2.542 122.995 120.500 -0.078 0.000 2.207 72 R HA 0.612 4.952 4.340 -0.001 0.000 0.334 72 R C -1.381 174.875 176.300 -0.074 0.000 1.013 72 R CA -0.263 55.798 56.100 -0.064 0.000 0.858 72 R CB 0.696 30.962 30.300 -0.057 0.000 1.094 72 R HN 0.890 nan 8.270 nan 0.000 0.457 73 L N 3.886 125.070 121.223 -0.066 0.000 2.426 73 L HA 0.286 4.626 4.340 -0.001 0.000 0.271 73 L C 1.220 178.043 176.870 -0.078 0.000 1.169 73 L CA 0.590 55.385 54.840 -0.074 0.000 0.836 73 L CB 1.162 43.185 42.059 -0.060 0.000 1.112 73 L HN 1.035 nan 8.230 nan 0.000 0.465 74 G N 2.743 111.484 108.800 -0.098 0.000 2.147 74 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.244 74 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.244 74 G C -0.783 174.060 174.900 -0.095 0.000 1.005 74 G CA 0.112 45.153 45.100 -0.098 0.000 0.713 74 G HN 0.436 nan 8.290 nan 0.000 0.515 75 L N 0.138 121.299 121.223 -0.104 0.000 2.436 75 L HA 0.869 5.208 4.340 -0.001 0.000 0.268 75 L C -0.717 176.083 176.870 -0.118 0.000 0.974 75 L CA -1.273 53.508 54.840 -0.100 0.000 0.826 75 L CB 1.679 43.687 42.059 -0.085 0.000 1.291 75 L HN 0.127 nan 8.230 nan 0.000 0.406 76 I N 4.342 124.839 120.570 -0.121 0.000 2.468 76 I HA 0.445 4.614 4.170 -0.001 0.000 0.285 76 I C -0.032 175.996 176.117 -0.149 0.000 1.039 76 I CA -0.364 60.861 61.300 -0.126 0.000 1.074 76 I CB 2.217 40.150 38.000 -0.111 0.000 1.228 76 I HN 0.760 nan 8.210 nan 0.000 0.436 77 T N 0.188 114.705 114.554 -0.062 0.000 2.922 77 T HA 0.365 4.714 4.350 -0.001 0.000 0.281 77 T C 0.791 175.461 174.700 -0.049 0.000 1.005 77 T CA -0.408 61.641 62.100 -0.085 0.000 0.982 77 T CB 2.199 71.032 68.868 -0.058 0.000 1.158 77 T HN 0.537 nan 8.240 nan 0.000 0.566 78 E N 0.308 120.448 120.200 -0.100 0.000 2.047 78 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 78 E C 2.050 178.582 176.600 -0.114 0.000 0.987 78 E CA 2.133 58.489 56.400 -0.074 0.000 0.799 78 E CB -0.618 29.045 29.700 -0.062 0.000 0.752 78 E HN 0.876 nan 8.360 nan 0.000 0.449 79 T N -2.998 111.488 114.554 -0.114 0.000 3.107 79 T HA 0.138 4.487 4.350 -0.001 0.000 0.249 79 T C 0.717 175.363 174.700 -0.090 0.000 1.096 79 T CA 0.094 62.080 62.100 -0.191 0.000 1.012 79 T CB -0.504 68.275 68.868 -0.149 0.000 0.977 79 T HN 0.345 nan 8.240 nan 0.000 0.527 80 F N 1.622 121.498 119.950 -0.124 0.000 2.844 80 F HA -0.216 4.310 4.527 -0.001 0.000 0.288 80 F C -0.312 175.368 175.800 -0.199 0.000 0.732 80 F CA 0.238 58.164 58.000 -0.123 0.000 1.378 80 F CB -1.917 37.036 39.000 -0.079 0.000 1.597 80 F HN 0.557 nan 8.300 nan 0.000 0.376 81 D N -0.670 119.658 120.400 -0.119 0.000 2.602 81 D HA 0.489 5.128 4.640 -0.001 0.000 0.236 81 D C 0.632 176.756 176.300 -0.293 0.000 1.209 81 D CA -0.595 53.186 54.000 -0.366 0.000 0.831 81 D CB 0.281 40.492 40.800 -0.983 0.000 1.478 81 D HN -0.111 nan 8.370 nan 0.000 0.438 82 I N -0.900 119.518 120.570 -0.255 0.000 2.300 82 I HA -0.191 3.978 4.170 -0.001 0.000 0.252 82 I C 1.933 177.972 176.117 -0.131 0.000 1.119 82 I CA 2.053 63.269 61.300 -0.140 0.000 1.384 82 I CB -2.156 35.806 38.000 -0.064 0.000 1.062 82 I HN 0.659 nan 8.210 nan 0.000 0.426 83 T N -1.552 112.890 114.554 -0.187 0.000 3.163 83 T HA 0.268 4.617 4.350 -0.001 0.000 0.260 83 T C 1.014 175.648 174.700 -0.110 0.000 1.156 83 T CA 0.243 62.273 62.100 -0.116 0.000 1.072 83 T CB -1.255 67.558 68.868 -0.092 0.000 0.937 83 T HN 0.520 nan 8.240 nan 0.000 0.528 84 G N 0.325 109.046 108.800 -0.133 0.000 2.425 84 G HA2 0.439 4.398 3.960 -0.001 0.000 0.302 84 G HA3 0.439 4.398 3.960 -0.001 0.000 0.302 84 G C -0.864 173.985 174.900 -0.084 0.000 1.159 84 G CA -0.800 44.238 45.100 -0.103 0.000 0.865 84 G HN 0.452 nan 8.290 nan 0.000 0.515 85 E N 0.764 120.919 120.200 -0.075 0.000 2.366 85 E HA 0.119 4.468 4.350 -0.001 0.000 0.266 85 E C 0.137 176.681 176.600 -0.093 0.000 1.015 85 E CA -0.413 55.945 56.400 -0.070 0.000 0.906 85 E CB 0.648 30.313 29.700 -0.057 0.000 0.979 85 E HN 0.131 nan 8.360 nan 0.000 0.443 86 V N 6.229 126.091 119.914 -0.087 0.000 2.458 86 V HA -0.075 4.045 4.120 -0.001 0.000 0.287 86 V C 1.232 177.248 176.094 -0.129 0.000 1.009 86 V CA 0.364 62.602 62.300 -0.105 0.000 1.091 86 V CB 0.584 32.359 31.823 -0.079 0.000 0.960 86 V HN 0.692 nan 8.190 nan 0.000 0.476 87 V N 1.323 121.111 119.914 -0.210 0.000 3.645 87 V HA 0.484 4.603 4.120 -0.001 0.000 0.275 87 V C 0.374 176.347 176.094 -0.202 0.000 1.356 87 V CA 0.488 62.635 62.300 -0.254 0.000 1.051 87 V CB 0.018 31.515 31.823 -0.543 0.000 0.828 87 V HN 0.888 nan 8.190 nan 0.000 0.441 88 E N 0.016 120.111 120.200 -0.176 0.000 2.431 88 E HA 0.395 4.744 4.350 -0.001 0.000 0.287 88 E C -1.679 174.866 176.600 -0.092 0.000 1.032 88 E CA -0.421 55.919 56.400 -0.100 0.000 0.839 88 E CB 2.024 31.687 29.700 -0.062 0.000 1.218 88 E HN 0.368 nan 8.360 nan 0.000 0.424 89 E N 3.809 123.968 120.200 -0.068 0.000 2.409 89 E HA 0.305 4.655 4.350 -0.001 0.000 0.259 89 E C -0.696 175.866 176.600 -0.063 0.000 0.932 89 E CA -0.357 56.001 56.400 -0.070 0.000 0.809 89 E CB 0.945 30.609 29.700 -0.060 0.000 1.341 89 E HN 0.418 nan 8.360 nan 0.000 0.405 90 R N 1.414 121.867 120.500 -0.078 0.000 2.611 90 R HA 0.373 4.712 4.340 -0.001 0.000 0.243 90 R C -0.113 176.146 176.300 -0.068 0.000 1.260 90 R CA -0.767 55.288 56.100 -0.076 0.000 1.095 90 R CB 0.425 30.661 30.300 -0.106 0.000 1.259 90 R HN 0.311 nan 8.270 nan 0.000 0.575 91 E N 0.272 120.433 120.200 -0.065 0.000 2.199 91 E HA 0.266 4.616 4.350 -0.001 0.000 0.265 91 E C -1.609 174.955 176.600 -0.059 0.000 0.882 91 E CA -0.587 55.780 56.400 -0.054 0.000 0.759 91 E CB 1.820 31.495 29.700 -0.042 0.000 1.148 91 E HN 0.416 nan 8.360 nan 0.000 0.412 92 c N 4.059 122.626 118.600 -0.054 0.000 2.408 92 c HA 0.579 5.148 4.570 -0.001 0.000 0.321 92 c C -0.678 173.389 174.090 -0.037 0.000 1.245 92 c CA -0.618 55.679 56.329 -0.052 0.000 1.523 92 c CB -0.413 42.062 42.510 -0.060 0.000 2.178 92 c HN 0.776 nan 8.230 nan 0.000 0.488 93 N N 2.507 121.188 118.700 -0.032 0.000 2.673 93 N HA 0.331 5.070 4.740 -0.001 0.000 0.265 93 N C -0.933 174.566 175.510 -0.019 0.000 1.709 93 N CA -0.476 52.560 53.050 -0.023 0.000 0.792 93 N CB 0.094 38.569 38.487 -0.020 0.000 1.286 93 N HN 0.386 nan 8.380 nan 0.000 0.506 94 V N -2.053 117.849 119.914 -0.019 0.000 2.834 94 V HA 0.826 4.946 4.120 -0.001 0.000 0.313 94 V C 0.763 176.854 176.094 -0.006 0.000 1.060 94 V CA -0.682 61.611 62.300 -0.013 0.000 0.989 94 V CB 1.173 32.986 31.823 -0.016 0.000 1.041 94 V HN 0.439 nan 8.190 nan 0.000 0.459 95 T N -1.188 113.366 114.554 0.000 0.000 2.899 95 T HA 0.357 4.706 4.350 -0.001 0.000 0.284 95 T C 0.767 175.475 174.700 0.013 0.000 1.004 95 T CA -0.058 62.046 62.100 0.007 0.000 1.043 95 T CB 1.103 69.977 68.868 0.009 0.000 1.013 95 T HN 0.796 nan 8.240 nan 0.000 0.518 96 E N 0.533 120.744 120.200 0.020 0.000 2.209 96 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 96 E C 1.745 178.370 176.600 0.041 0.000 0.993 96 E CA 1.294 57.712 56.400 0.030 0.000 0.819 96 E CB -0.002 29.720 29.700 0.036 0.000 0.745 96 E HN 0.723 nan 8.360 nan 0.000 0.477 97 E N 0.692 120.913 120.200 0.035 0.000 2.216 97 E HA -0.099 4.251 4.350 -0.001 0.000 0.192 97 E C 1.613 178.237 176.600 0.039 0.000 0.988 97 E CA 0.633 57.057 56.400 0.041 0.000 0.834 97 E CB 0.071 29.788 29.700 0.028 0.000 0.772 97 E HN 0.284 nan 8.360 nan 0.000 0.479 98 E N 0.074 120.289 120.200 0.026 0.000 2.158 98 E HA -0.061 4.289 4.350 -0.001 0.000 0.191 98 E C 1.920 178.533 176.600 0.021 0.000 0.982 98 E CA 0.541 56.953 56.400 0.020 0.000 0.823 98 E CB 0.025 29.730 29.700 0.008 0.000 0.766 98 E HN 0.275 nan 8.360 nan 0.000 0.468 99 I N 0.819 121.400 120.570 0.017 0.000 2.162 99 I HA -0.244 3.925 4.170 -0.001 0.000 0.238 99 I C 2.556 178.676 176.117 0.005 0.000 1.076 99 I CA 1.016 62.317 61.300 0.001 0.000 1.353 99 I CB -0.259 37.738 38.000 -0.005 0.000 1.063 99 I HN -0.006 nan 8.210 nan 0.000 0.408 100 R N 0.413 120.945 120.500 0.052 0.000 2.103 100 R HA -0.222 4.117 4.340 -0.001 0.000 0.242 100 R C 2.322 178.754 176.300 0.220 0.000 1.142 100 R CA 1.462 57.651 56.100 0.148 0.000 0.960 100 R CB -0.424 30.031 30.300 0.259 0.000 0.858 100 R HN 0.343 nan 8.270 nan 0.000 0.439 101 E N 0.780 121.066 120.200 0.144 0.000 2.085 101 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 101 E C 1.830 178.488 176.600 0.097 0.000 0.994 101 E CA 1.662 58.135 56.400 0.122 0.000 0.801 101 E CB -0.075 29.662 29.700 0.061 0.000 0.743 101 E HN 0.340 nan 8.360 nan 0.000 0.453 102 A N 1.271 124.127 122.820 0.060 0.000 1.873 102 A HA -0.141 4.179 4.320 -0.001 0.000 0.215 102 A C 2.253 179.898 177.584 0.101 0.000 1.186 102 A CA 1.272 53.353 52.037 0.072 0.000 0.616 102 A CB -0.475 18.561 19.000 0.059 0.000 0.823 102 A HN 0.232 nan 8.150 nan 0.000 0.442 103 I N -0.778 119.752 120.570 -0.067 0.000 2.058 103 I HA -0.232 3.938 4.170 -0.001 0.000 0.235 103 I C 2.186 178.166 176.117 -0.228 0.000 1.053 103 I CA 1.599 62.706 61.300 -0.320 0.000 1.313 103 I CB -1.896 35.674 38.000 -0.717 0.000 1.039 103 I HN 0.343 nan 8.210 nan 0.000 0.396 104 F N 1.634 121.552 119.950 -0.053 0.000 2.664 104 F HA -0.118 4.408 4.527 -0.001 0.000 0.297 104 F C 2.551 178.360 175.800 0.015 0.000 1.164 104 F CA 0.843 58.837 58.000 -0.010 0.000 1.472 104 F CB -0.750 38.247 39.000 -0.005 0.000 1.108 104 F HN 0.188 nan 8.300 nan 0.000 0.596 105 S N -1.357 114.427 115.700 0.141 0.000 2.558 105 S HA -0.020 4.450 4.470 -0.001 0.000 0.217 105 S C 1.227 175.723 174.600 -0.173 0.000 0.975 105 S CA 0.169 58.355 58.200 -0.022 0.000 0.912 105 S CB -0.722 62.405 63.200 -0.122 0.000 0.776 105 S HN 0.299 nan 8.310 nan 0.000 0.526 106 F N 1.642 121.549 119.950 -0.072 0.000 2.727 106 F HA 0.403 4.929 4.527 -0.002 0.000 0.302 106 F C 0.485 176.299 175.800 0.024 0.000 1.097 106 F CA -0.536 57.410 58.000 -0.090 0.000 1.330 106 F CB 0.305 39.202 39.000 -0.173 0.000 1.084 106 F HN -0.025 nan 8.300 nan 0.000 0.578 107 V N 1.219 121.243 119.914 0.184 0.000 2.450 107 V HA 0.457 4.576 4.120 -0.001 0.000 0.281 107 V C 0.787 176.955 176.094 0.123 0.000 1.019 107 V CA 0.969 63.371 62.300 0.170 0.000 1.062 107 V CB -0.191 31.748 31.823 0.193 0.000 0.979 107 V HN 0.570 nan 8.190 nan 0.000 0.477 108 G N 4.873 113.734 108.800 0.102 0.000 1.930 108 G HA2 0.099 4.059 3.960 -0.001 0.000 0.054 108 G HA3 0.099 4.059 3.960 -0.001 0.000 0.054 108 G C -0.578 174.348 174.900 0.043 0.000 0.902 108 G CA 0.034 45.173 45.100 0.065 0.000 1.168 108 G HN 0.894 nan 8.290 nan 0.000 0.383 109 E N -0.794 119.462 120.200 0.094 0.000 2.363 109 E HA 0.593 4.943 4.350 -0.001 0.000 0.281 109 E C -0.828 175.875 176.600 0.172 0.000 0.953 109 E CA -0.735 55.709 56.400 0.073 0.000 0.778 109 E CB 1.693 31.388 29.700 -0.009 0.000 1.220 109 E HN 1.478 nan 8.360 nan 0.000 0.431 110 Y N -0.216 120.100 120.300 0.028 0.000 2.888 110 Y HA 0.313 4.862 4.550 -0.001 0.000 0.260 110 Y C -0.802 175.117 175.900 0.032 0.000 1.113 110 Y CA -0.728 57.391 58.100 0.031 0.000 1.237 110 Y CB 0.110 38.609 38.460 0.064 0.000 1.307 110 Y HN 0.433 nan 8.280 nan 0.000 0.580 111 D N 2.581 122.841 120.400 -0.234 0.000 3.278 111 D HA -0.213 4.426 4.640 -0.001 0.000 0.233 111 D C -0.028 176.154 176.300 -0.196 0.000 1.149 111 D CA 1.484 55.382 54.000 -0.170 0.000 0.957 111 D CB -0.285 40.490 40.800 -0.042 0.000 0.913 111 D HN 0.906 nan 8.370 nan 0.000 0.409 112 Q N -1.495 118.069 119.800 -0.393 0.000 2.316 112 Q HA 0.580 4.919 4.340 -0.001 0.000 0.215 112 Q C 0.365 176.360 176.000 -0.009 0.000 1.020 112 Q CA -0.872 54.847 55.803 -0.140 0.000 0.970 112 Q CB 1.561 30.197 28.738 -0.171 0.000 1.187 112 Q HN 0.236 nan 8.270 nan 0.000 0.546 113 V N -3.772 116.169 119.914 0.044 0.000 3.019 113 V HA 0.635 4.754 4.120 -0.001 0.000 0.317 113 V C -2.697 173.349 176.094 -0.080 0.000 1.094 113 V CA -3.057 59.232 62.300 -0.019 0.000 1.000 113 V CB 1.184 32.975 31.823 -0.052 0.000 1.060 113 V HN 0.741 nan 8.190 nan 0.000 0.443 114 P HA 0.233 nan 4.420 nan 0.000 0.268 114 P C -2.631 174.413 177.300 -0.427 0.000 1.205 114 P CA -0.986 61.766 63.100 -0.580 0.000 0.771 114 P CB -0.142 31.296 31.700 -0.437 0.000 0.858 115 P HA 0.200 nan 4.420 nan 0.000 0.267 115 P C -1.069 175.745 177.300 -0.810 0.000 1.328 115 P CA 0.465 63.317 63.100 -0.412 0.000 0.990 115 P CB -0.113 31.507 31.700 -0.134 0.000 1.168 116 A N 3.920 126.152 122.820 -0.980 0.000 2.532 116 A HA 0.486 4.805 4.320 -0.001 0.000 0.296 116 A C -2.035 175.291 177.584 -0.430 0.000 1.058 116 A CA -0.630 50.991 52.037 -0.694 0.000 0.729 116 A CB 1.058 19.851 19.000 -0.345 0.000 1.285 116 A HN 0.391 nan 8.150 nan 0.000 0.396 117 Y N 1.946 122.013 120.300 -0.389 0.000 2.420 117 Y HA 0.557 5.105 4.550 -0.003 0.000 0.334 117 Y C 0.432 176.299 175.900 -0.054 0.000 1.094 117 Y CA 0.532 58.594 58.100 -0.064 0.000 1.126 117 Y CB 1.654 40.147 38.460 0.054 0.000 1.217 117 Y HN 1.319 nan 8.280 nan 0.000 0.462 118 S N 1.439 117.084 115.700 -0.091 0.000 3.024 118 S HA 0.051 4.520 4.470 -0.001 0.000 0.819 118 S C -0.347 174.242 174.600 -0.018 0.000 0.863 118 S CA 0.130 58.322 58.200 -0.013 0.000 1.423 118 S CB -1.444 61.819 63.200 0.104 0.000 1.032 118 S HN 1.135 nan 8.310 nan 0.000 0.510 119 A N 3.967 126.780 122.820 -0.011 0.000 3.934 119 A HA 0.766 5.086 4.320 -0.001 0.000 0.163 119 A C 1.166 178.755 177.584 0.008 0.000 1.103 119 A CA -0.390 51.645 52.037 -0.004 0.000 1.170 119 A CB 0.143 19.149 19.000 0.010 0.000 1.564 119 A HN 0.527 nan 8.150 nan 0.000 0.705 120 K N -0.319 120.094 120.400 0.021 0.000 2.166 120 K HA 0.156 4.476 4.320 -0.001 0.000 0.201 120 K C 0.340 176.949 176.600 0.016 0.000 1.052 120 K CA 0.915 57.212 56.287 0.016 0.000 0.969 120 K CB 0.024 32.536 32.500 0.020 0.000 0.761 120 K HN 0.457 nan 8.250 nan 0.000 0.459 121 K N -0.774 119.663 120.400 0.061 0.000 2.502 121 K HA 0.250 4.570 4.320 -0.001 0.000 0.257 121 K C -1.491 175.214 176.600 0.175 0.000 0.938 121 K CA -0.550 55.749 56.287 0.021 0.000 0.819 121 K CB 1.247 33.771 32.500 0.039 0.000 1.333 121 K HN -0.067 nan 8.250 nan 0.000 0.434 122 Y N -0.454 119.823 120.300 -0.039 0.000 2.512 122 Y HA -0.314 4.235 4.550 -0.003 0.000 0.020 122 Y C -0.613 175.228 175.900 -0.099 0.000 1.708 122 Y CA 0.889 58.956 58.100 -0.055 0.000 1.416 122 Y CB -0.511 37.920 38.460 -0.047 0.000 2.061 122 Y HN 0.756 nan 8.280 nan 0.000 0.255 123 K N 0.368 120.779 120.400 0.017 0.000 2.617 123 K HA 0.754 5.074 4.320 -0.001 0.000 0.293 123 K C 0.277 176.668 176.600 -0.349 0.000 1.034 123 K CA -0.830 55.308 56.287 -0.249 0.000 0.884 123 K CB 1.826 34.173 32.500 -0.256 0.000 1.541 123 K HN 1.898 nan 8.250 nan 0.000 0.409 124 G N 0.918 109.167 108.800 -0.918 0.000 2.633 124 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.263 124 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.263 124 G C 0.626 175.528 174.900 0.002 0.000 1.310 124 G CA 0.536 45.384 45.100 -0.421 0.000 0.914 124 G HN 0.801 nan 8.290 nan 0.000 0.569 125 E N -0.247 120.071 120.200 0.197 0.000 2.169 125 E HA -0.285 4.064 4.350 -0.001 0.000 0.202 125 E C 2.526 179.259 176.600 0.222 0.000 1.016 125 E CA 1.697 58.281 56.400 0.306 0.000 0.817 125 E CB -0.090 29.776 29.700 0.277 0.000 0.736 125 E HN 0.518 nan 8.360 nan 0.000 0.462 126 R N 0.636 121.216 120.500 0.133 0.000 2.073 126 R HA -0.165 4.174 4.340 -0.001 0.000 0.234 126 R C 2.536 178.854 176.300 0.030 0.000 1.134 126 R CA 1.207 57.366 56.100 0.098 0.000 0.952 126 R CB -0.308 30.087 30.300 0.158 0.000 0.850 126 R HN 0.130 nan 8.270 nan 0.000 0.433 127 L N 0.270 121.519 121.223 0.044 0.000 2.083 127 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 127 L C 1.888 178.755 176.870 -0.005 0.000 1.083 127 L CA 1.681 56.515 54.840 -0.009 0.000 0.752 127 L CB -0.841 41.209 42.059 -0.015 0.000 0.899 127 L HN 0.251 nan 8.230 nan 0.000 0.433 128 Y N 0.680 120.934 120.300 -0.076 0.000 2.062 128 Y HA -0.302 4.248 4.550 -0.001 0.000 0.272 128 Y C 2.583 178.440 175.900 -0.073 0.000 1.117 128 Y CA 2.255 60.305 58.100 -0.084 0.000 1.095 128 Y CB -0.487 37.897 38.460 -0.127 0.000 0.985 128 Y HN 0.075 nan 8.280 nan 0.000 0.479 129 K N 0.147 120.552 120.400 0.008 0.000 2.077 129 K HA -0.219 4.100 4.320 -0.001 0.000 0.213 129 K C 1.927 178.430 176.600 -0.162 0.000 1.051 129 K CA 1.889 58.120 56.287 -0.093 0.000 0.929 129 K CB -1.025 31.500 32.500 0.042 0.000 0.715 129 K HN 0.307 nan 8.250 nan 0.000 0.451 130 L N -0.028 121.102 121.223 -0.155 0.000 2.042 130 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 130 L C 2.184 178.941 176.870 -0.189 0.000 1.076 130 L CA 2.094 56.813 54.840 -0.201 0.000 0.749 130 L CB -1.107 40.759 42.059 -0.323 0.000 0.893 130 L HN 0.224 nan 8.230 nan 0.000 0.432 131 A N -1.023 121.681 122.820 -0.193 0.000 1.902 131 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 131 A C 2.432 179.904 177.584 -0.186 0.000 1.181 131 A CA 1.303 53.236 52.037 -0.173 0.000 0.623 131 A CB -0.452 18.454 19.000 -0.156 0.000 0.818 131 A HN 0.327 nan 8.150 nan 0.000 0.443 132 R N -0.293 120.045 120.500 -0.269 0.000 2.193 132 R HA -0.089 4.250 4.340 -0.001 0.000 0.229 132 R C 1.266 177.482 176.300 -0.140 0.000 1.110 132 R CA 1.343 57.303 56.100 -0.233 0.000 0.988 132 R CB -0.141 29.958 30.300 -0.336 0.000 0.871 132 R HN 0.679 nan 8.270 nan 0.000 0.458 133 E N -0.531 119.588 120.200 -0.134 0.000 2.474 133 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 133 E C 0.216 176.766 176.600 -0.083 0.000 1.041 133 E CA 0.153 56.496 56.400 -0.095 0.000 0.874 133 E CB 0.624 30.268 29.700 -0.093 0.000 0.914 133 E HN 0.352 nan 8.360 nan 0.000 0.498 134 G N 2.531 111.275 108.800 -0.093 0.000 2.540 134 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.260 134 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.260 134 G C 0.415 175.271 174.900 -0.073 0.000 0.993 134 G CA 0.317 45.372 45.100 -0.075 0.000 1.327 134 G HN 0.047 nan 8.290 nan 0.000 0.485 135 K N 0.193 120.541 120.400 -0.087 0.000 2.585 135 K HA 0.205 4.525 4.320 -0.001 0.000 0.210 135 K C 1.204 177.761 176.600 -0.070 0.000 1.504 135 K CA 0.143 56.380 56.287 -0.083 0.000 1.029 135 K CB 0.310 32.738 32.500 -0.120 0.000 1.332 135 K HN 0.466 nan 8.250 nan 0.000 0.569 136 I N 1.483 122.007 120.570 -0.076 0.000 2.823 136 I HA 0.041 4.210 4.170 -0.001 0.000 0.290 136 I C 1.728 177.824 176.117 -0.034 0.000 1.091 136 I CA 0.005 61.275 61.300 -0.050 0.000 1.365 136 I CB 0.409 38.377 38.000 -0.054 0.000 1.427 136 I HN -0.026 nan 8.210 nan 0.000 0.583 137 I N 2.680 123.238 120.570 -0.019 0.000 3.251 137 I HA 0.010 4.180 4.170 -0.001 0.000 0.277 137 I C 0.506 176.614 176.117 -0.016 0.000 1.268 137 I CA 1.059 62.350 61.300 -0.015 0.000 1.449 137 I CB -0.623 37.373 38.000 -0.006 0.000 1.083 137 I HN 0.611 nan 8.210 nan 0.000 0.464 138 N N 0.456 119.143 118.700 -0.022 0.000 2.599 138 N HA 0.205 4.944 4.740 -0.001 0.000 0.309 138 N C -0.530 174.957 175.510 -0.038 0.000 1.743 138 N CA -0.035 53.001 53.050 -0.024 0.000 0.918 138 N CB 0.560 39.033 38.487 -0.023 0.000 1.339 138 N HN 0.086 nan 8.380 nan 0.000 0.493 139 L N -2.281 118.918 121.223 -0.040 0.000 3.288 139 L HA 0.485 4.825 4.340 -0.001 0.000 0.293 139 L C -2.582 174.264 176.870 -0.041 0.000 1.294 139 L CA -1.959 52.850 54.840 -0.053 0.000 1.006 139 L CB -0.991 41.026 42.059 -0.068 0.000 1.407 139 L HN -0.073 nan 8.230 nan 0.000 0.592 140 P HA -0.007 nan 4.420 nan 0.000 0.245 140 P C -1.886 175.409 177.300 -0.009 0.000 1.123 140 P CA -0.232 62.864 63.100 -0.008 0.000 0.853 140 P CB -0.061 31.647 31.700 0.014 0.000 0.786 141 P HA -0.012 nan 4.420 nan 0.000 0.269 141 P C 0.488 177.768 177.300 -0.034 0.000 1.601 141 P CA -0.164 62.916 63.100 -0.033 0.000 0.831 141 P CB -0.162 31.512 31.700 -0.042 0.000 1.688 142 K N 1.674 122.066 120.400 -0.012 0.000 2.502 142 K HA -0.166 4.153 4.320 -0.001 0.000 0.268 142 K C 0.545 177.104 176.600 -0.067 0.000 1.025 142 K CA 0.015 56.292 56.287 -0.018 0.000 1.139 142 K CB 0.280 32.792 32.500 0.020 0.000 0.810 142 K HN 0.031 nan 8.250 nan 0.000 0.483 143 R N 3.118 123.577 120.500 -0.068 0.000 2.594 143 R HA 0.243 4.582 4.340 -0.001 0.000 0.272 143 R C -0.764 175.461 176.300 -0.125 0.000 1.074 143 R CA -0.048 55.990 56.100 -0.103 0.000 1.105 143 R CB 0.760 31.024 30.300 -0.060 0.000 1.008 143 R HN 0.444 nan 8.270 nan 0.000 0.472 144 V N -0.763 119.035 119.914 -0.193 0.000 3.181 144 V HA 0.650 4.769 4.120 -0.001 0.000 0.308 144 V C -1.179 174.806 176.094 -0.181 0.000 1.214 144 V CA -1.120 61.074 62.300 -0.177 0.000 1.053 144 V CB 2.378 34.075 31.823 -0.210 0.000 1.069 144 V HN 0.772 nan 8.190 nan 0.000 0.441 145 K N 1.695 121.957 120.400 -0.230 0.000 2.413 145 K HA 0.665 4.985 4.320 -0.001 0.000 0.257 145 K C -1.728 174.570 176.600 -0.504 0.000 0.946 145 K CA -0.631 55.408 56.287 -0.414 0.000 0.823 145 K CB 1.999 34.081 32.500 -0.697 0.000 1.109 145 K HN 0.615 nan 8.250 nan 0.000 0.427 146 I N 4.630 125.047 120.570 -0.254 0.000 2.310 146 I HA 0.133 4.303 4.170 -0.001 0.000 0.287 146 I C 0.430 176.498 176.117 -0.082 0.000 1.073 146 I CA -0.262 60.996 61.300 -0.069 0.000 1.216 146 I CB 0.031 38.122 38.000 0.152 0.000 1.415 146 I HN 0.613 nan 8.210 nan 0.000 0.480 147 F N 4.410 124.474 119.950 0.190 0.000 2.075 147 F HA -0.085 4.442 4.527 -0.000 0.000 0.297 147 F C 1.186 177.108 175.800 0.203 0.000 1.113 147 F CA 0.979 59.081 58.000 0.170 0.000 1.218 147 F CB -0.431 38.656 39.000 0.146 0.000 0.984 147 F HN 0.335 nan 8.300 nan 0.000 0.472 148 K N -0.808 119.872 120.400 0.468 0.000 2.568 148 K HA 0.649 4.968 4.320 -0.001 0.000 0.273 148 K C -1.562 175.398 176.600 0.599 0.000 0.951 148 K CA -0.666 55.898 56.287 0.461 0.000 0.854 148 K CB 1.933 34.660 32.500 0.379 0.000 1.424 148 K HN 0.008 nan 8.250 nan 0.000 0.427 149 I N 1.869 122.767 120.570 0.548 0.000 2.498 149 I HA 0.655 4.825 4.170 -0.001 0.000 0.290 149 I C -1.208 175.281 176.117 0.620 0.000 1.032 149 I CA -0.521 61.013 61.300 0.391 0.000 1.073 149 I CB 1.285 39.247 38.000 -0.063 0.000 1.251 149 I HN 0.934 nan 8.210 nan 0.000 0.426 150 W N 3.334 124.783 121.300 0.248 0.000 2.961 150 W HA 0.569 5.229 4.660 -0.000 0.000 0.368 150 W C -1.204 175.477 176.519 0.269 0.000 1.213 150 W CA -0.804 56.713 57.345 0.287 0.000 1.173 150 W CB 0.353 29.956 29.460 0.239 0.000 1.487 150 W HN 0.373 nan 8.180 nan 0.000 0.585 151 D N 0.460 121.087 120.400 0.380 0.000 2.689 151 D HA -0.142 4.498 4.640 -0.001 0.000 0.237 151 D C -0.420 175.990 176.300 0.184 0.000 1.148 151 D CA 0.779 54.928 54.000 0.248 0.000 0.656 151 D CB -1.443 39.458 40.800 0.168 0.000 1.050 151 D HN 0.356 nan 8.370 nan 0.000 0.426 152 V N 0.748 120.782 119.914 0.199 0.000 2.614 152 V HA 0.324 4.444 4.120 -0.001 0.000 0.291 152 V C 0.752 176.932 176.094 0.143 0.000 1.049 152 V CA -0.186 62.196 62.300 0.137 0.000 1.038 152 V CB 1.622 33.475 31.823 0.049 0.000 0.980 152 V HN 0.331 nan 8.190 nan 0.000 0.481 153 N N 4.181 122.952 118.700 0.119 0.000 2.558 153 N HA 0.409 5.149 4.740 -0.001 0.000 0.285 153 N C -1.113 174.443 175.510 0.076 0.000 1.112 153 N CA -0.401 52.716 53.050 0.110 0.000 0.857 153 N CB 1.009 39.581 38.487 0.141 0.000 1.376 153 N HN 0.568 nan 8.380 nan 0.000 0.526 154 I N 1.996 122.604 120.570 0.065 0.000 2.301 154 I HA 0.243 4.412 4.170 -0.001 0.000 0.292 154 I C -0.024 176.118 176.117 0.041 0.000 1.046 154 I CA -0.332 60.994 61.300 0.043 0.000 1.282 154 I CB 1.017 39.039 38.000 0.037 0.000 1.409 154 I HN 0.446 nan 8.210 nan 0.000 0.484 155 E N 5.210 125.431 120.200 0.035 0.000 2.795 155 E HA 0.496 4.845 4.350 -0.001 0.000 0.226 155 E C 0.373 176.986 176.600 0.021 0.000 1.088 155 E CA 0.178 56.598 56.400 0.034 0.000 0.812 155 E CB 0.882 30.609 29.700 0.045 0.000 1.328 155 E HN 0.791 nan 8.360 nan 0.000 0.410 156 G N 2.666 111.475 108.800 0.015 0.000 2.509 156 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.256 156 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.256 156 G C 0.892 175.791 174.900 -0.002 0.000 1.152 156 G CA 0.198 45.302 45.100 0.007 0.000 0.951 156 G HN 0.523 nan 8.290 nan 0.000 0.559 157 R N 0.745 121.240 120.500 -0.008 0.000 2.236 157 R HA 0.189 4.528 4.340 -0.001 0.000 0.208 157 R C -0.330 175.957 176.300 -0.022 0.000 1.036 157 R CA 1.253 57.342 56.100 -0.019 0.000 1.001 157 R CB -0.047 30.239 30.300 -0.024 0.000 0.896 157 R HN 0.391 nan 8.270 nan 0.000 0.464 158 D N 2.211 122.603 120.400 -0.014 0.000 2.232 158 D HA 0.238 4.877 4.640 -0.001 0.000 0.242 158 D C -0.369 175.922 176.300 -0.016 0.000 1.093 158 D CA -0.367 53.621 54.000 -0.020 0.000 0.845 158 D CB 2.240 43.034 40.800 -0.009 0.000 1.124 158 D HN 0.081 nan 8.370 nan 0.000 0.467 159 V N -0.434 119.459 119.914 -0.036 0.000 2.823 159 V HA 0.887 5.007 4.120 -0.001 0.000 0.312 159 V C -0.210 175.825 176.094 -0.097 0.000 1.072 159 V CA -0.792 61.496 62.300 -0.021 0.000 0.937 159 V CB 1.854 33.685 31.823 0.013 0.000 1.013 159 V HN 0.572 nan 8.190 nan 0.000 0.430 160 S N 3.036 118.672 115.700 -0.106 0.000 2.632 160 S HA 1.030 5.499 4.470 -0.001 0.000 0.289 160 S C -0.874 173.601 174.600 -0.209 0.000 1.115 160 S CA -0.488 57.462 58.200 -0.416 0.000 0.889 160 S CB 2.126 65.023 63.200 -0.505 0.000 1.116 160 S HN 2.251 nan 8.310 nan 0.000 0.486 161 F N -2.107 117.479 119.950 -0.607 0.000 2.944 161 F HA 0.680 5.206 4.527 -0.002 0.000 0.324 161 F C -1.537 173.934 175.800 -0.550 0.000 1.151 161 F CA -1.337 56.399 58.000 -0.441 0.000 0.883 161 F CB 0.799 39.579 39.000 -0.366 0.000 1.341 161 F HN 0.701 nan 8.300 nan 0.000 0.456 162 R N 1.173 121.486 120.500 -0.312 0.000 2.589 162 R HA 0.866 5.206 4.340 -0.001 0.000 0.293 162 R C -1.541 174.443 176.300 -0.526 0.000 0.963 162 R CA -1.267 54.460 56.100 -0.622 0.000 0.905 162 R CB 2.532 32.082 30.300 -1.250 0.000 1.144 162 R HN 0.712 nan 8.270 nan 0.000 0.459 163 V N -1.261 118.525 119.914 -0.213 0.000 2.760 163 V HA 0.444 4.564 4.120 -0.001 0.000 0.309 163 V C -0.647 175.646 176.094 0.330 0.000 1.077 163 V CA -1.012 61.372 62.300 0.141 0.000 0.910 163 V CB 1.946 33.936 31.823 0.278 0.000 1.008 163 V HN 0.819 nan 8.190 nan 0.000 0.424 164 E N 2.240 122.759 120.200 0.532 0.000 2.092 164 E HA 0.669 5.018 4.350 -0.001 0.000 0.271 164 E C -1.600 175.323 176.600 0.539 0.000 0.919 164 E CA -0.416 56.312 56.400 0.546 0.000 0.760 164 E CB 2.078 32.123 29.700 0.576 0.000 1.106 164 E HN 0.738 nan 8.360 nan 0.000 0.408 165 V N 3.485 123.674 119.914 0.459 0.000 3.001 165 V HA 0.484 4.603 4.120 -0.001 0.000 0.314 165 V C -0.493 175.824 176.094 0.372 0.000 1.099 165 V CA -0.485 62.011 62.300 0.326 0.000 0.989 165 V CB 2.342 34.303 31.823 0.230 0.000 1.040 165 V HN 0.837 nan 8.190 nan 0.000 0.434 166 S N 5.640 121.474 115.700 0.223 0.000 2.592 166 S HA 0.506 4.976 4.470 -0.001 0.000 0.271 166 S C -2.526 172.167 174.600 0.156 0.000 1.326 166 S CA -0.928 57.430 58.200 0.263 0.000 1.024 166 S CB 0.955 64.233 63.200 0.130 0.000 0.921 166 S HN 0.780 nan 8.310 nan 0.000 0.527 167 P HA 0.218 nan 4.420 nan 0.000 0.268 167 P C 0.952 178.270 177.300 0.029 0.000 1.208 167 P CA 0.942 64.097 63.100 0.093 0.000 0.777 167 P CB 0.131 31.883 31.700 0.087 0.000 0.875 168 G N 0.847 109.633 108.800 -0.024 0.000 2.157 168 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.248 168 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.248 168 G C 0.042 174.829 174.900 -0.189 0.000 0.979 168 G CA 0.069 45.101 45.100 -0.113 0.000 0.650 168 G HN 0.688 nan 8.290 nan 0.000 0.529 169 T N 0.877 115.355 114.554 -0.127 0.000 2.795 169 T HA 0.549 4.899 4.350 -0.001 0.000 0.282 169 T C -0.348 174.266 174.700 -0.143 0.000 0.980 169 T CA -0.216 61.830 62.100 -0.089 0.000 1.012 169 T CB 0.996 69.863 68.868 -0.001 0.000 0.936 169 T HN 0.209 nan 8.240 nan 0.000 0.457 170 Y N 2.964 123.259 120.300 -0.009 0.000 2.365 170 Y HA 0.216 4.766 4.550 -0.000 0.000 0.340 170 Y C 1.403 177.274 175.900 -0.047 0.000 1.016 170 Y CA -1.080 57.010 58.100 -0.017 0.000 1.196 170 Y CB 0.349 38.825 38.460 0.027 0.000 1.167 170 Y HN 0.508 nan 8.280 nan 0.000 0.509 171 I N 2.161 122.717 120.570 -0.024 0.000 2.439 171 I HA -0.156 4.014 4.170 -0.001 0.000 0.251 171 I C 2.086 178.215 176.117 0.020 0.000 1.139 171 I CA 1.124 62.361 61.300 -0.105 0.000 1.438 171 I CB -0.708 37.070 38.000 -0.370 0.000 1.085 171 I HN 0.720 nan 8.210 nan 0.000 0.427 172 R N 0.475 121.045 120.500 0.117 0.000 2.083 172 R HA -0.138 4.202 4.340 -0.001 0.000 0.237 172 R C 2.509 178.914 176.300 0.174 0.000 1.137 172 R CA 1.769 57.964 56.100 0.157 0.000 0.951 172 R CB -0.433 29.997 30.300 0.217 0.000 0.851 172 R HN 0.238 nan 8.270 nan 0.000 0.434 173 S N 1.070 116.904 115.700 0.222 0.000 2.370 173 S HA -0.128 4.342 4.470 -0.001 0.000 0.226 173 S C 1.790 176.464 174.600 0.123 0.000 1.033 173 S CA 1.012 59.347 58.200 0.225 0.000 1.011 173 S CB -0.232 63.102 63.200 0.223 0.000 0.852 173 S HN 0.169 nan 8.310 nan 0.000 0.457 174 L N 1.294 122.570 121.223 0.088 0.000 2.083 174 L HA -0.098 4.242 4.340 -0.001 0.000 0.209 174 L C 2.246 178.985 176.870 -0.218 0.000 1.083 174 L CA 1.627 56.435 54.840 -0.052 0.000 0.752 174 L CB -0.985 41.075 42.059 0.001 0.000 0.899 174 L HN 0.339 nan 8.230 nan 0.000 0.433 175 C N -1.226 118.005 119.300 -0.115 0.000 2.442 175 C HA -0.175 4.284 4.460 -0.001 0.000 0.279 175 C C 2.691 177.561 174.990 -0.199 0.000 1.237 175 C CA 1.035 59.970 59.018 -0.139 0.000 1.722 175 C CB -0.759 26.916 27.740 -0.108 0.000 2.056 175 C HN 0.692 nan 8.230 nan 0.000 0.469 176 M N 1.720 121.171 119.600 -0.249 0.000 2.088 176 M HA -0.173 4.306 4.480 -0.001 0.000 0.256 176 M C 1.584 177.760 176.300 -0.206 0.000 1.071 176 M CA 1.893 56.970 55.300 -0.372 0.000 1.097 176 M CB -1.042 31.094 32.600 -0.773 0.000 1.315 176 M HN 0.320 nan 8.290 nan 0.000 0.406 177 D N -0.219 120.085 120.400 -0.160 0.000 2.116 177 D HA -0.181 4.458 4.640 -0.001 0.000 0.193 177 D C 2.107 178.411 176.300 0.007 0.000 0.998 177 D CA 1.877 55.866 54.000 -0.019 0.000 0.836 177 D CB -0.491 40.285 40.800 -0.041 0.000 0.951 177 D HN 0.479 nan 8.370 nan 0.000 0.449 178 I N 0.799 121.178 120.570 -0.318 0.000 2.286 178 I HA -0.157 4.012 4.170 -0.001 0.000 0.248 178 I C 2.524 178.637 176.117 -0.007 0.000 1.115 178 I CA 1.259 62.456 61.300 -0.171 0.000 1.392 178 I CB -0.444 37.368 38.000 -0.313 0.000 1.065 178 I HN 0.019 nan 8.210 nan 0.000 0.418 179 G N -0.141 108.640 108.800 -0.032 0.000 2.432 179 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.219 179 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.219 179 G C 1.388 176.277 174.900 -0.018 0.000 1.135 179 G CA 0.596 45.678 45.100 -0.030 0.000 0.767 179 G HN 0.292 nan 8.290 nan 0.000 0.550 180 Y N 0.152 120.360 120.300 -0.152 0.000 2.420 180 Y HA 0.170 4.720 4.550 0.001 0.000 0.292 180 Y C 2.556 178.441 175.900 -0.025 0.000 1.119 180 Y CA 0.753 58.776 58.100 -0.129 0.000 1.229 180 Y CB -0.015 38.304 38.460 -0.234 0.000 1.026 180 Y HN 0.128 nan 8.280 nan 0.000 0.554 181 K N 0.798 121.304 120.400 0.177 0.000 2.026 181 K HA -0.118 4.201 4.320 -0.001 0.000 0.208 181 K C 1.727 178.356 176.600 0.048 0.000 1.048 181 K CA 1.467 57.831 56.287 0.128 0.000 0.929 181 K CB -0.571 32.042 32.500 0.189 0.000 0.713 181 K HN 0.276 nan 8.250 nan 0.000 0.439 182 L N -0.960 120.275 121.223 0.021 0.000 2.201 182 L HA 0.043 4.382 4.340 -0.001 0.000 0.212 182 L C 1.113 177.951 176.870 -0.054 0.000 1.105 182 L CA 0.804 55.633 54.840 -0.019 0.000 0.775 182 L CB -0.386 41.652 42.059 -0.035 0.000 0.913 182 L HN 0.638 nan 8.230 nan 0.000 0.440 183 G N -0.297 108.447 108.800 -0.094 0.000 2.203 183 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.231 183 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.231 183 G C 0.340 175.115 174.900 -0.209 0.000 1.058 183 G CA 0.008 45.018 45.100 -0.151 0.000 0.781 183 G HN 0.524 nan 8.290 nan 0.000 0.496 184 c N -2.000 116.443 118.600 -0.263 0.000 3.897 184 c HA 0.687 5.256 4.570 -0.001 0.000 0.304 184 c C 1.459 175.378 174.090 -0.285 0.000 2.314 184 c CA 0.382 56.565 56.329 -0.243 0.000 1.559 184 c CB -0.247 42.175 42.510 -0.146 0.000 3.163 184 c HN 2.515 nan 8.230 nan 0.000 0.476 185 G N 1.257 109.810 108.800 -0.413 0.000 2.881 185 G HA2 0.429 4.389 3.960 -0.001 0.000 0.681 185 G HA3 0.429 4.389 3.960 -0.001 0.000 0.681 185 G C -0.384 174.408 174.900 -0.179 0.000 1.567 185 G CA -0.114 44.794 45.100 -0.318 0.000 1.013 185 G HN 2.521 nan 8.290 nan 0.000 0.580 186 A N 0.081 122.802 122.820 -0.164 0.000 2.594 186 A HA 0.985 5.305 4.320 -0.001 0.000 0.295 186 A C -0.176 177.291 177.584 -0.195 0.000 1.071 186 A CA 0.469 52.413 52.037 -0.154 0.000 0.685 186 A CB 2.026 20.950 19.000 -0.128 0.000 1.285 186 A HN 1.734 nan 8.150 nan 0.000 0.405 187 T N 0.868 115.334 114.554 -0.146 0.000 2.912 187 T HA 0.664 5.013 4.350 -0.001 0.000 0.299 187 T C -0.113 174.527 174.700 -0.100 0.000 1.052 187 T CA 0.248 62.270 62.100 -0.129 0.000 0.996 187 T CB 1.660 70.464 68.868 -0.105 0.000 1.070 187 T HN 1.563 nan 8.240 nan 0.000 0.465 188 A N 1.993 124.764 122.820 -0.081 0.000 2.409 188 A HA 0.517 4.837 4.320 -0.001 0.000 0.267 188 A C 0.902 178.473 177.584 -0.022 0.000 1.127 188 A CA -0.288 51.728 52.037 -0.035 0.000 0.795 188 A CB 0.081 19.121 19.000 0.065 0.000 1.061 188 A HN 0.735 nan 8.150 nan 0.000 0.502 189 V N 1.943 121.872 119.914 0.024 0.000 3.635 189 V HA 0.225 4.345 4.120 -0.001 0.000 0.266 189 V C 0.581 176.781 176.094 0.178 0.000 1.316 189 V CA 1.009 63.344 62.300 0.058 0.000 1.060 189 V CB -0.303 31.528 31.823 0.013 0.000 0.820 189 V HN 0.915 nan 8.190 nan 0.000 0.447 190 E N 0.230 120.538 120.200 0.180 0.000 2.335 190 E HA 0.589 4.938 4.350 -0.001 0.000 0.280 190 E C -2.178 174.486 176.600 0.106 0.000 0.918 190 E CA -0.527 55.988 56.400 0.191 0.000 0.765 190 E CB 2.487 32.307 29.700 0.200 0.000 1.218 190 E HN 0.070 nan 8.360 nan 0.000 0.425 191 L N 4.260 125.501 121.223 0.030 0.000 2.505 191 L HA 0.565 4.905 4.340 -0.001 0.000 0.266 191 L C -2.044 174.840 176.870 0.023 0.000 0.954 191 L CA -0.615 54.200 54.840 -0.042 0.000 0.852 191 L CB 2.014 43.928 42.059 -0.241 0.000 1.282 191 L HN 0.388 nan 8.230 nan 0.000 0.403 192 V N 4.890 124.923 119.914 0.199 0.000 2.525 192 V HA 0.526 4.645 4.120 -0.001 0.000 0.299 192 V C -0.182 176.044 176.094 0.220 0.000 1.034 192 V CA -0.673 61.745 62.300 0.196 0.000 0.863 192 V CB 1.855 33.808 31.823 0.217 0.000 0.999 192 V HN 0.723 nan 8.190 nan 0.000 0.423 193 R N 3.109 123.682 120.500 0.121 0.000 2.220 193 R HA 0.290 4.630 4.340 -0.001 0.000 0.340 193 R C 0.896 177.176 176.300 -0.032 0.000 1.076 193 R CA -0.112 55.928 56.100 -0.101 0.000 0.920 193 R CB 0.547 30.694 30.300 -0.254 0.000 1.062 193 R HN 0.797 nan 8.270 nan 0.000 0.469 194 E N 1.427 121.625 120.200 -0.004 0.000 2.285 194 E HA -0.041 4.308 4.350 -0.001 0.000 0.194 194 E C -0.112 176.512 176.600 0.039 0.000 0.997 194 E CA 0.678 57.108 56.400 0.049 0.000 0.845 194 E CB 0.302 30.057 29.700 0.092 0.000 0.782 194 E HN 0.659 nan 8.360 nan 0.000 0.491 195 S N -0.853 114.841 115.700 -0.010 0.000 2.552 195 S HA 0.441 4.910 4.470 -0.001 0.000 0.272 195 S C -0.956 173.635 174.600 -0.016 0.000 1.150 195 S CA -1.049 57.162 58.200 0.018 0.000 0.849 195 S CB 2.113 65.343 63.200 0.049 0.000 1.113 195 S HN -0.098 nan 8.310 nan 0.000 0.458 196 V N 2.396 122.340 119.914 0.050 0.000 2.447 196 V HA 0.770 4.890 4.120 -0.001 0.000 0.292 196 V C 1.191 177.337 176.094 0.086 0.000 1.021 196 V CA 0.522 62.864 62.300 0.070 0.000 0.850 196 V CB 0.386 32.287 31.823 0.130 0.000 1.005 196 V HN 1.924 nan 8.190 nan 0.000 0.426 197 G N 7.380 116.170 108.800 -0.018 0.000 2.574 197 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.286 197 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.286 197 G C -0.944 173.856 174.900 -0.167 0.000 1.212 197 G CA 0.458 45.463 45.100 -0.158 0.000 0.979 197 G HN 0.626 nan 8.290 nan 0.000 0.557 198 P HA 0.122 nan 4.420 nan 0.000 0.245 198 P C 0.034 177.203 177.300 -0.218 0.000 1.206 198 P CA 0.541 63.489 63.100 -0.253 0.000 0.781 198 P CB 0.050 31.576 31.700 -0.290 0.000 0.994 199 H N 1.343 120.459 119.070 0.078 0.000 2.800 199 H HA 0.205 4.761 4.556 -0.001 0.000 0.291 199 H C 0.956 176.321 175.328 0.061 0.000 1.076 199 H CA 0.334 56.437 56.048 0.091 0.000 1.452 199 H CB 0.529 30.370 29.762 0.132 0.000 1.461 199 H HN 0.104 nan 8.280 nan 0.000 0.488 200 T N -0.549 114.096 114.554 0.153 0.000 2.944 200 T HA 0.254 4.603 4.350 -0.001 0.000 0.284 200 T C 1.543 176.303 174.700 0.099 0.000 1.010 200 T CA -0.943 61.218 62.100 0.101 0.000 1.025 200 T CB 1.353 70.263 68.868 0.070 0.000 1.079 200 T HN 0.545 nan 8.240 nan 0.000 0.516 201 I N 0.351 120.971 120.570 0.084 0.000 2.394 201 I HA -0.094 4.075 4.170 -0.001 0.000 0.251 201 I C 1.989 178.129 176.117 0.039 0.000 1.136 201 I CA 1.454 62.809 61.300 0.091 0.000 1.425 201 I CB -0.094 37.965 38.000 0.099 0.000 1.079 201 I HN 0.750 nan 8.210 nan 0.000 0.425 202 E N 0.629 120.842 120.200 0.022 0.000 2.204 202 E HA -0.263 4.087 4.350 -0.001 0.000 0.195 202 E C 1.921 178.526 176.600 0.009 0.000 0.990 202 E CA 1.144 57.542 56.400 -0.004 0.000 0.821 202 E CB -0.186 29.516 29.700 0.002 0.000 0.750 202 E HN 0.579 nan 8.360 nan 0.000 0.477 203 E N 0.994 121.219 120.200 0.041 0.000 2.230 203 E HA -0.041 4.308 4.350 -0.001 0.000 0.192 203 E C 0.430 177.060 176.600 0.050 0.000 0.987 203 E CA 0.261 56.693 56.400 0.054 0.000 0.841 203 E CB 0.211 29.967 29.700 0.095 0.000 0.783 203 E HN 0.240 nan 8.360 nan 0.000 0.481 204 S N 0.310 116.047 115.700 0.061 0.000 2.580 204 S HA 0.158 4.628 4.470 -0.001 0.000 0.261 204 S C -0.081 174.550 174.600 0.052 0.000 1.366 204 S CA -0.588 57.657 58.200 0.076 0.000 0.996 204 S CB 1.084 64.377 63.200 0.156 0.000 0.902 204 S HN 0.247 nan 8.310 nan 0.000 0.566 205 L N 0.747 122.012 121.223 0.071 0.000 2.422 205 L HA 0.531 4.870 4.340 -0.001 0.000 0.264 205 L C -0.821 176.110 176.870 0.102 0.000 0.984 205 L CA -0.545 54.325 54.840 0.050 0.000 0.819 205 L CB 2.028 44.095 42.059 0.013 0.000 1.330 205 L HN 0.853 nan 8.230 nan 0.000 0.410 206 N N 3.394 122.160 118.700 0.110 0.000 2.602 206 N HA 0.082 4.822 4.740 -0.001 0.000 0.238 206 N C 1.178 176.730 175.510 0.070 0.000 1.084 206 N CA 0.314 53.475 53.050 0.185 0.000 0.952 206 N CB 1.045 39.678 38.487 0.242 0.000 1.244 206 N HN 0.728 nan 8.380 nan 0.000 0.512 207 V N 2.076 121.949 119.914 -0.069 0.000 2.439 207 V HA -0.242 3.877 4.120 -0.001 0.000 0.253 207 V C 1.633 177.612 176.094 -0.191 0.000 1.074 207 V CA 1.334 63.521 62.300 -0.188 0.000 1.076 207 V CB -1.216 30.411 31.823 -0.327 0.000 0.664 207 V HN 0.327 nan 8.190 nan 0.000 0.461 208 F N 1.634 121.604 119.950 0.033 0.000 2.126 208 F HA -0.039 4.487 4.527 -0.001 0.000 0.299 208 F C 2.539 178.354 175.800 0.025 0.000 1.096 208 F CA 2.067 60.084 58.000 0.027 0.000 1.255 208 F CB -0.514 38.507 39.000 0.034 0.000 0.997 208 F HN 0.262 nan 8.300 nan 0.000 0.479 209 E N -0.336 119.986 120.200 0.202 0.000 2.444 209 E HA 0.334 4.684 4.350 -0.001 0.000 0.191 209 E C 0.200 176.837 176.600 0.063 0.000 1.041 209 E CA -0.134 56.337 56.400 0.119 0.000 0.883 209 E CB 0.231 29.997 29.700 0.109 0.000 1.024 209 E HN 0.193 nan 8.360 nan 0.000 0.470 210 A N 1.351 124.195 122.820 0.040 0.000 2.312 210 A HA 0.682 5.001 4.320 -0.001 0.000 0.326 210 A C 0.011 177.596 177.584 0.002 0.000 1.172 210 A CA -0.525 51.519 52.037 0.011 0.000 0.821 210 A CB 0.853 19.849 19.000 -0.007 0.000 1.166 210 A HN 0.192 nan 8.150 nan 0.000 0.493 211 A N 3.480 126.300 122.820 0.001 0.000 2.371 211 A HA 0.582 4.901 4.320 -0.001 0.000 0.257 211 A C -1.472 176.104 177.584 -0.013 0.000 1.089 211 A CA -1.288 50.748 52.037 -0.002 0.000 0.794 211 A CB -0.201 18.798 19.000 -0.000 0.000 1.029 211 A HN 0.583 nan 8.150 nan 0.000 0.488 212 P HA -0.237 nan 4.420 nan 0.000 0.217 212 P C 0.878 178.165 177.300 -0.022 0.000 1.162 212 P CA 2.031 65.118 63.100 -0.022 0.000 0.901 212 P CB 0.129 31.818 31.700 -0.018 0.000 0.793 213 E N -0.527 119.663 120.200 -0.016 0.000 2.070 213 E HA -0.242 4.107 4.350 -0.001 0.000 0.197 213 E C 1.991 178.581 176.600 -0.016 0.000 1.004 213 E CA 1.514 57.905 56.400 -0.015 0.000 0.805 213 E CB -0.875 28.819 29.700 -0.010 0.000 0.744 213 E HN 0.358 nan 8.360 nan 0.000 0.451 214 E N 1.010 121.202 120.200 -0.014 0.000 2.033 214 E HA -0.214 4.136 4.350 -0.001 0.000 0.199 214 E C 1.892 178.479 176.600 -0.021 0.000 1.011 214 E CA 1.660 58.051 56.400 -0.014 0.000 0.815 214 E CB -0.411 29.282 29.700 -0.010 0.000 0.755 214 E HN 0.327 nan 8.360 nan 0.000 0.451 215 I N 0.609 121.161 120.570 -0.029 0.000 2.118 215 I HA -0.303 3.866 4.170 -0.001 0.000 0.241 215 I C 2.758 178.850 176.117 -0.042 0.000 1.070 215 I CA 1.977 63.252 61.300 -0.041 0.000 1.327 215 I CB -0.597 37.370 38.000 -0.055 0.000 1.034 215 I HN 0.365 nan 8.210 nan 0.000 0.405 216 E N 1.511 121.687 120.200 -0.039 0.000 2.038 216 E HA -0.312 4.038 4.350 -0.001 0.000 0.195 216 E C 1.785 178.367 176.600 -0.031 0.000 1.000 216 E CA 1.917 58.293 56.400 -0.039 0.000 0.803 216 E CB -0.190 29.489 29.700 -0.035 0.000 0.750 216 E HN 0.346 nan 8.360 nan 0.000 0.448 217 N N -0.431 118.255 118.700 -0.023 0.000 2.635 217 N HA -0.111 4.629 4.740 -0.001 0.000 0.191 217 N C 1.101 176.602 175.510 -0.015 0.000 1.155 217 N CA 0.408 53.449 53.050 -0.016 0.000 0.927 217 N CB 0.093 38.573 38.487 -0.012 0.000 0.976 217 N HN -0.016 nan 8.380 nan 0.000 0.448 218 R N -0.311 120.176 120.500 -0.021 0.000 2.472 218 R HA 0.369 4.708 4.340 -0.001 0.000 0.279 218 R C -0.572 175.711 176.300 -0.027 0.000 0.953 218 R CA -0.154 55.935 56.100 -0.020 0.000 1.088 218 R CB 0.159 30.447 30.300 -0.021 0.000 1.197 218 R HN 0.131 nan 8.270 nan 0.000 0.536 219 I N 1.413 121.963 120.570 -0.033 0.000 2.575 219 I HA 0.159 4.328 4.170 -0.001 0.000 0.285 219 I C 0.223 176.324 176.117 -0.027 0.000 1.085 219 I CA -0.368 60.907 61.300 -0.043 0.000 1.403 219 I CB 1.109 39.080 38.000 -0.048 0.000 1.409 219 I HN -0.069 nan 8.210 nan 0.000 0.557 220 I N 8.195 128.745 120.570 -0.032 0.000 2.322 220 I HA 0.180 4.350 4.170 -0.001 0.000 0.292 220 I C -1.869 174.244 176.117 -0.007 0.000 1.060 220 I CA -1.770 59.527 61.300 -0.004 0.000 1.309 220 I CB 0.381 38.389 38.000 0.014 0.000 1.415 220 I HN 0.301 nan 8.210 nan 0.000 0.492 221 P HA 0.017 nan 4.420 nan 0.000 0.269 221 P C 1.006 178.286 177.300 -0.034 0.000 1.215 221 P CA -0.147 62.949 63.100 -0.007 0.000 0.780 221 P CB 1.217 32.917 31.700 -0.000 0.000 0.898 222 L N 1.308 122.483 121.223 -0.081 0.000 2.064 222 L HA -0.275 4.064 4.340 -0.001 0.000 0.216 222 L C 2.292 179.046 176.870 -0.194 0.000 1.077 222 L CA 1.919 56.638 54.840 -0.202 0.000 0.766 222 L CB -0.815 41.003 42.059 -0.401 0.000 0.890 222 L HN 0.375 nan 8.230 nan 0.000 0.435 223 E N -0.182 119.957 120.200 -0.101 0.000 2.273 223 E HA -0.191 4.159 4.350 -0.001 0.000 0.198 223 E C 1.768 178.435 176.600 0.110 0.000 1.002 223 E CA 1.000 57.448 56.400 0.080 0.000 0.828 223 E CB -0.012 29.767 29.700 0.131 0.000 0.747 223 E HN 0.325 nan 8.360 nan 0.000 0.491 224 K N -0.777 119.642 120.400 0.032 0.000 2.355 224 K HA 0.182 4.501 4.320 -0.001 0.000 0.198 224 K C 0.209 176.831 176.600 0.036 0.000 1.039 224 K CA -0.011 56.300 56.287 0.040 0.000 1.075 224 K CB 0.387 32.916 32.500 0.047 0.000 0.870 224 K HN 0.104 nan 8.250 nan 0.000 0.540 225 C N 1.046 120.343 119.300 -0.005 0.000 2.500 225 C HA 0.278 4.737 4.460 -0.001 0.000 0.367 225 C C 1.607 176.464 174.990 -0.222 0.000 1.283 225 C CA -0.601 58.423 59.018 0.011 0.000 2.456 225 C CB -0.392 27.376 27.740 0.047 0.000 2.457 225 C HN 0.560 nan 8.230 nan 0.000 0.632 226 L N 0.674 121.617 121.223 -0.467 0.000 3.737 226 L HA -0.229 4.111 4.340 -0.001 0.000 0.418 226 L C 1.538 177.723 176.870 -1.143 0.000 1.216 226 L CA 0.265 54.251 54.840 -1.423 0.000 0.915 226 L CB -1.456 39.987 42.059 -1.027 0.000 1.834 226 L HN 0.829 nan 8.230 nan 0.000 0.943 227 E N 0.712 120.616 120.200 -0.493 0.000 2.197 227 E HA -0.204 4.145 4.350 -0.001 0.000 0.205 227 E C 1.101 177.676 176.600 -0.042 0.000 1.029 227 E CA 2.489 58.830 56.400 -0.099 0.000 0.828 227 E CB -0.011 29.771 29.700 0.136 0.000 0.737 227 E HN 0.686 nan 8.360 nan 0.000 0.464 228 W N -0.858 120.431 121.300 -0.018 0.000 1.644 228 W HA 0.426 5.086 4.660 -0.001 0.000 0.429 228 W C -0.080 176.437 176.519 -0.003 0.000 1.980 228 W CA -1.003 56.334 57.345 -0.014 0.000 2.191 228 W CB -0.199 29.246 29.460 -0.026 0.000 1.542 228 W HN -0.108 nan 8.180 nan 0.000 0.799 229 L N -0.614 120.670 121.223 0.101 0.000 1.216 229 L HA -0.180 4.159 4.340 -0.001 0.000 0.393 229 L C -2.281 174.589 176.870 0.001 0.000 1.003 229 L CA -0.775 54.053 54.840 -0.021 0.000 1.226 229 L CB -1.093 40.798 42.059 -0.280 0.000 0.676 229 L HN 0.301 nan 8.230 nan 0.000 0.362 230 P HA 0.160 nan 4.420 nan 0.000 0.268 230 P C -1.058 176.268 177.300 0.043 0.000 1.208 230 P CA -0.089 63.068 63.100 0.095 0.000 0.777 230 P CB 0.503 32.318 31.700 0.192 0.000 0.875 231 R N 1.006 121.553 120.500 0.079 0.000 2.561 231 R HA 0.691 5.031 4.340 -0.001 0.000 0.297 231 R C -1.174 175.182 176.300 0.093 0.000 0.969 231 R CA -1.077 55.082 56.100 0.099 0.000 0.879 231 R CB 1.197 31.545 30.300 0.079 0.000 1.178 231 R HN 0.272 nan 8.270 nan 0.000 0.445 232 V N 0.305 120.257 119.914 0.062 0.000 2.680 232 V HA 0.730 4.849 4.120 -0.001 0.000 0.309 232 V C -0.306 175.804 176.094 0.026 0.000 1.052 232 V CA -0.900 61.406 62.300 0.010 0.000 0.908 232 V CB 1.657 33.407 31.823 -0.123 0.000 1.001 232 V HN 0.668 nan 8.190 nan 0.000 0.431 233 V N 5.939 125.847 119.914 -0.011 0.000 2.555 233 V HA 0.876 4.995 4.120 -0.001 0.000 0.302 233 V C -0.079 175.954 176.094 -0.102 0.000 1.038 233 V CA 0.045 62.342 62.300 -0.005 0.000 0.887 233 V CB 1.699 33.522 31.823 -0.000 0.000 0.991 233 V HN 1.679 nan 8.190 nan 0.000 0.434 234 V N 3.939 123.804 119.914 -0.083 0.000 2.834 234 V HA 0.626 4.745 4.120 -0.001 0.000 0.313 234 V C 0.350 176.377 176.094 -0.112 0.000 1.060 234 V CA -0.788 61.435 62.300 -0.129 0.000 0.989 234 V CB 1.296 33.086 31.823 -0.055 0.000 1.041 234 V HN 0.969 nan 8.190 nan 0.000 0.459 235 H N 2.467 121.540 119.070 0.004 0.000 3.001 235 H HA 0.053 4.608 4.556 -0.001 0.000 0.334 235 H C 1.018 176.350 175.328 0.008 0.000 1.034 235 H CA 0.400 56.455 56.048 0.012 0.000 1.420 235 H CB 1.011 30.780 29.762 0.011 0.000 1.405 235 H HN 0.772 nan 8.280 nan 0.000 0.593 236 Q N 2.741 122.615 119.800 0.123 0.000 2.082 236 Q HA -0.256 4.083 4.340 -0.001 0.000 0.211 236 Q C 1.934 177.969 176.000 0.059 0.000 1.002 236 Q CA 1.779 57.624 55.803 0.071 0.000 0.868 236 Q CB -0.378 28.395 28.738 0.058 0.000 0.931 236 Q HN 0.780 nan 8.270 nan 0.000 0.414 237 E N -0.433 119.806 120.200 0.065 0.000 2.208 237 E HA -0.178 4.172 4.350 -0.001 0.000 0.202 237 E C 1.218 177.836 176.600 0.029 0.000 1.014 237 E CA 1.336 57.758 56.400 0.036 0.000 0.819 237 E CB 0.033 29.747 29.700 0.022 0.000 0.735 237 E HN 0.149 nan 8.360 nan 0.000 0.469 238 S N -0.481 115.246 115.700 0.046 0.000 2.593 238 S HA 0.004 4.473 4.470 -0.001 0.000 0.217 238 S C 1.400 176.006 174.600 0.010 0.000 0.966 238 S CA 0.389 58.604 58.200 0.025 0.000 0.914 238 S CB 0.206 63.429 63.200 0.038 0.000 0.776 238 S HN 0.297 nan 8.310 nan 0.000 0.523 239 T N 2.384 116.946 114.554 0.012 0.000 2.652 239 T HA -0.162 4.187 4.350 -0.001 0.000 0.267 239 T C 1.848 176.545 174.700 -0.006 0.000 1.039 239 T CA 1.486 63.587 62.100 0.001 0.000 1.153 239 T CB -0.164 68.706 68.868 0.004 0.000 0.863 239 T HN 0.440 nan 8.240 nan 0.000 0.428 240 K N 1.150 121.547 120.400 -0.005 0.000 1.991 240 K HA -0.141 4.178 4.320 -0.001 0.000 0.212 240 K C 2.465 179.056 176.600 -0.015 0.000 1.049 240 K CA 1.844 58.125 56.287 -0.010 0.000 0.932 240 K CB -0.315 32.180 32.500 -0.009 0.000 0.717 240 K HN 0.497 nan 8.250 nan 0.000 0.441 241 M N -0.488 119.103 119.600 -0.016 0.000 2.358 241 M HA -0.098 4.382 4.480 -0.001 0.000 0.264 241 M C 1.681 177.967 176.300 -0.023 0.000 1.064 241 M CA 1.595 56.882 55.300 -0.021 0.000 1.093 241 M CB -0.326 32.258 32.600 -0.026 0.000 1.401 241 M HN 0.113 nan 8.290 nan 0.000 0.440 242 I N 0.284 120.842 120.570 -0.020 0.000 2.333 242 I HA -0.171 3.999 4.170 -0.001 0.000 0.246 242 I C 2.087 178.189 176.117 -0.026 0.000 1.106 242 I CA 0.530 61.816 61.300 -0.023 0.000 1.411 242 I CB -0.291 37.696 38.000 -0.022 0.000 1.082 242 I HN 0.278 nan 8.210 nan 0.000 0.420 243 L N 0.677 121.887 121.223 -0.023 0.000 2.187 243 L HA -0.163 4.176 4.340 -0.001 0.000 0.213 243 L C 1.544 178.396 176.870 -0.031 0.000 1.100 243 L CA 1.546 56.371 54.840 -0.025 0.000 0.765 243 L CB -1.299 40.748 42.059 -0.020 0.000 0.904 243 L HN 0.305 nan 8.230 nan 0.000 0.437 244 N N -1.157 117.526 118.700 -0.028 0.000 2.592 244 N HA 0.178 4.918 4.740 -0.001 0.000 0.290 244 N C 0.931 176.422 175.510 -0.031 0.000 1.364 244 N CA 0.447 53.480 53.050 -0.028 0.000 0.878 244 N CB -0.744 37.728 38.487 -0.023 0.000 1.104 244 N HN 0.100 nan 8.380 nan 0.000 0.485 245 G N -0.262 108.522 108.800 -0.027 0.000 2.961 245 G HA2 0.114 4.073 3.960 -0.001 0.000 0.150 245 G HA3 0.114 4.073 3.960 -0.001 0.000 0.150 245 G C -0.336 174.550 174.900 -0.023 0.000 1.864 245 G CA 0.822 45.907 45.100 -0.025 0.000 0.992 245 G HN 0.697 nan 8.290 nan 0.000 0.458 246 S N -1.401 114.288 115.700 -0.018 0.000 3.098 246 S HA -0.120 4.349 4.470 -0.001 0.000 0.805 246 S C 0.088 174.687 174.600 -0.002 0.000 0.883 246 S CA 0.353 58.542 58.200 -0.018 0.000 1.384 246 S CB -0.665 62.515 63.200 -0.034 0.000 1.040 246 S HN 0.657 nan 8.310 nan 0.000 0.525 247 Q N 3.101 122.920 119.800 0.032 0.000 2.396 247 Q HA 0.528 4.867 4.340 -0.001 0.000 0.221 247 Q C 0.752 176.820 176.000 0.112 0.000 1.025 247 Q CA -0.125 55.722 55.803 0.073 0.000 0.946 247 Q CB 0.462 29.274 28.738 0.124 0.000 1.224 247 Q HN 0.776 nan 8.270 nan 0.000 0.539 248 I N 1.477 122.117 120.570 0.117 0.000 2.321 248 I HA 0.216 4.385 4.170 -0.001 0.000 0.291 248 I C 0.459 176.713 176.117 0.228 0.000 0.998 248 I CA -0.216 61.152 61.300 0.114 0.000 1.227 248 I CB 0.610 38.614 38.000 0.007 0.000 1.368 248 I HN 0.319 nan 8.210 nan 0.000 0.466 249 H N 4.707 123.771 119.070 -0.011 0.000 2.615 249 H HA 0.302 4.858 4.556 -0.001 0.000 0.346 249 H C 0.865 176.196 175.328 0.005 0.000 1.200 249 H CA -1.052 55.001 56.048 0.007 0.000 1.264 249 H CB 2.541 32.316 29.762 0.022 0.000 1.699 249 H HN 0.557 nan 8.280 nan 0.000 0.567 250 L N 0.712 122.018 121.223 0.139 0.000 1.978 250 L HA -0.262 4.077 4.340 -0.001 0.000 0.218 250 L C 1.721 178.653 176.870 0.103 0.000 1.075 250 L CA 1.844 56.742 54.840 0.097 0.000 0.767 250 L CB -0.353 41.778 42.059 0.121 0.000 0.890 250 L HN 0.740 nan 8.230 nan 0.000 0.434 251 E N -0.837 119.443 120.200 0.132 0.000 2.401 251 E HA -0.234 4.116 4.350 -0.001 0.000 0.199 251 E C 1.996 178.690 176.600 0.156 0.000 1.023 251 E CA 0.940 57.419 56.400 0.132 0.000 0.859 251 E CB -0.064 29.696 29.700 0.100 0.000 0.780 251 E HN 0.608 nan 8.360 nan 0.000 0.523 252 M N 0.237 119.913 119.600 0.127 0.000 2.447 252 M HA 0.047 4.527 4.480 -0.001 0.000 0.264 252 M C 0.620 176.976 176.300 0.093 0.000 1.095 252 M CA 0.391 55.775 55.300 0.140 0.000 1.125 252 M CB 0.303 32.945 32.600 0.070 0.000 1.389 252 M HN 0.013 nan 8.290 nan 0.000 0.459 253 L N 0.361 121.562 121.223 -0.035 0.000 2.436 253 L HA 0.069 4.409 4.340 -0.001 0.000 0.265 253 L C 1.159 177.858 176.870 -0.284 0.000 1.168 253 L CA 0.315 55.011 54.840 -0.239 0.000 0.815 253 L CB 0.626 42.411 42.059 -0.456 0.000 1.109 253 L HN 0.104 nan 8.230 nan 0.000 0.462 254 K N 0.469 120.653 120.400 -0.360 0.000 2.548 254 K HA 0.268 4.587 4.320 -0.001 0.000 0.209 254 K C -0.236 176.411 176.600 0.079 0.000 1.420 254 K CA 0.046 56.178 56.287 -0.260 0.000 0.985 254 K CB 0.885 33.026 32.500 -0.597 0.000 1.249 254 K HN 0.607 nan 8.250 nan 0.000 0.557 255 E N 0.006 120.229 120.200 0.040 0.000 2.291 255 E HA 0.211 4.560 4.350 -0.001 0.000 0.276 255 E C -1.217 175.565 176.600 0.303 0.000 0.896 255 E CA -0.767 55.816 56.400 0.306 0.000 0.774 255 E CB 1.270 31.060 29.700 0.149 0.000 1.227 255 E HN 0.103 nan 8.360 nan 0.000 0.413 256 W N 1.327 122.668 121.300 0.069 0.000 1.940 256 W HA 0.266 4.925 4.660 -0.001 0.000 0.516 256 W C 0.530 177.125 176.519 0.128 0.000 2.058 256 W CA 0.039 57.473 57.345 0.149 0.000 2.332 256 W CB 0.511 30.018 29.460 0.079 0.000 1.870 256 W HN 0.613 nan 8.180 nan 0.000 0.766 257 D N -2.313 118.369 120.400 0.470 0.000 2.649 257 D HA 0.165 4.805 4.640 -0.001 0.000 0.507 257 D C -0.389 176.067 176.300 0.259 0.000 1.091 257 D CA 0.841 55.010 54.000 0.281 0.000 1.076 257 D CB -0.050 40.887 40.800 0.228 0.000 1.647 257 D HN 0.602 nan 8.370 nan 0.000 0.356 258 G N 1.202 110.160 108.800 0.263 0.000 3.285 258 G HA2 0.186 4.145 3.960 -0.001 0.000 0.685 258 G HA3 0.186 4.145 3.960 -0.001 0.000 0.685 258 G C -0.363 174.655 174.900 0.196 0.000 0.938 258 G CA -0.093 45.051 45.100 0.074 0.000 0.778 258 G HN 0.602 nan 8.290 nan 0.000 0.515 259 F N -0.185 119.839 119.950 0.124 0.000 2.703 259 F HA 0.847 5.373 4.527 -0.001 0.000 0.308 259 F C -0.399 175.451 175.800 0.083 0.000 1.126 259 F CA -1.720 56.335 58.000 0.092 0.000 0.959 259 F CB 0.997 40.043 39.000 0.077 0.000 1.297 259 F HN 0.432 nan 8.300 nan 0.000 0.441 260 K N 1.347 121.916 120.400 0.282 0.000 2.399 260 K HA 0.389 4.709 4.320 -0.001 0.000 0.247 260 K C 0.754 177.488 176.600 0.224 0.000 1.036 260 K CA -0.656 55.739 56.287 0.180 0.000 0.977 260 K CB 0.874 33.447 32.500 0.122 0.000 1.272 260 K HN 0.693 nan 8.250 nan 0.000 0.501 261 K N 0.386 120.865 120.400 0.132 0.000 1.992 261 K HA -0.122 4.197 4.320 -0.001 0.000 0.227 261 K C 1.858 178.516 176.600 0.095 0.000 1.016 261 K CA 1.820 58.170 56.287 0.105 0.000 1.059 261 K CB -1.038 31.490 32.500 0.046 0.000 0.752 261 K HN 0.852 nan 8.250 nan 0.000 0.449 262 G N 1.691 110.528 108.800 0.062 0.000 2.568 262 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.220 262 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.220 262 G C 0.668 175.604 174.900 0.060 0.000 1.104 262 G CA 0.568 45.698 45.100 0.050 0.000 0.738 262 G HN 0.556 nan 8.290 nan 0.000 0.574 263 E N -0.486 119.766 120.200 0.087 0.000 2.492 263 E HA 0.168 4.518 4.350 -0.001 0.000 0.266 263 E C -0.473 176.156 176.600 0.049 0.000 1.047 263 E CA -0.236 56.220 56.400 0.094 0.000 0.968 263 E CB 0.524 30.309 29.700 0.143 0.000 0.960 263 E HN -0.041 nan 8.360 nan 0.000 0.452 264 V N 4.813 124.765 119.914 0.063 0.000 2.435 264 V HA 0.373 4.492 4.120 -0.001 0.000 0.290 264 V C -0.251 175.817 176.094 -0.044 0.000 1.030 264 V CA -0.491 61.826 62.300 0.028 0.000 0.881 264 V CB 1.267 33.175 31.823 0.141 0.000 0.983 264 V HN 0.557 nan 8.190 nan 0.000 0.445 265 V N 2.949 122.783 119.914 -0.135 0.000 2.914 265 V HA 0.691 4.810 4.120 -0.001 0.000 0.314 265 V C -0.341 175.654 176.094 -0.165 0.000 1.084 265 V CA -1.251 60.944 62.300 -0.176 0.000 0.963 265 V CB 1.995 33.618 31.823 -0.334 0.000 1.025 265 V HN 0.794 nan 8.190 nan 0.000 0.432 266 R N 1.730 122.150 120.500 -0.133 0.000 2.340 266 R HA 0.636 4.976 4.340 -0.001 0.000 0.300 266 R C -1.050 175.184 176.300 -0.111 0.000 1.069 266 R CA -0.526 55.481 56.100 -0.154 0.000 0.984 266 R CB 1.668 31.928 30.300 -0.067 0.000 1.003 266 R HN 0.672 nan 8.270 nan 0.000 0.459 267 V N 5.427 125.210 119.914 -0.218 0.000 2.311 267 V HA 0.292 4.411 4.120 -0.001 0.000 0.275 267 V C -0.420 175.536 176.094 -0.230 0.000 1.022 267 V CA -0.371 61.840 62.300 -0.149 0.000 0.830 267 V CB 0.065 31.811 31.823 -0.127 0.000 1.012 267 V HN 0.528 nan 8.190 nan 0.000 0.452 268 F N 3.629 123.516 119.950 -0.105 0.000 2.457 268 F HA 0.595 5.121 4.527 -0.001 0.000 0.330 268 F C 0.681 176.434 175.800 -0.078 0.000 1.069 268 F CA -0.611 57.332 58.000 -0.095 0.000 1.009 268 F CB 1.425 40.370 39.000 -0.093 0.000 1.276 268 F HN 0.595 nan 8.300 nan 0.000 0.492 269 N N -0.562 118.229 118.700 0.152 0.000 2.563 269 N HA 0.219 4.959 4.740 -0.001 0.000 0.288 269 N C 0.056 175.609 175.510 0.070 0.000 1.246 269 N CA -0.674 52.418 53.050 0.069 0.000 0.946 269 N CB 0.298 38.807 38.487 0.037 0.000 1.213 269 N HN 0.624 nan 8.380 nan 0.000 0.578 270 E N -0.329 119.894 120.200 0.039 0.000 2.204 270 E HA -0.135 4.214 4.350 -0.001 0.000 0.194 270 E C 0.562 177.178 176.600 0.027 0.000 0.989 270 E CA 1.012 57.429 56.400 0.027 0.000 0.824 270 E CB -0.088 29.632 29.700 0.033 0.000 0.756 270 E HN 0.662 nan 8.360 nan 0.000 0.477 271 E N -0.305 119.916 120.200 0.035 0.000 2.478 271 E HA -0.028 4.321 4.350 -0.001 0.000 0.198 271 E C 1.026 177.649 176.600 0.038 0.000 1.046 271 E CA 0.355 56.772 56.400 0.029 0.000 0.870 271 E CB 0.221 29.936 29.700 0.025 0.000 0.818 271 E HN 0.395 nan 8.360 nan 0.000 0.527 272 G N 2.263 111.105 108.800 0.070 0.000 2.157 272 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.239 272 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.239 272 G C 0.237 175.279 174.900 0.236 0.000 0.982 272 G CA 0.145 45.311 45.100 0.109 0.000 0.650 272 G HN 0.275 nan 8.290 nan 0.000 0.527 273 R N 0.038 120.630 120.500 0.154 0.000 2.357 273 R HA 0.625 4.965 4.340 -0.001 0.000 0.296 273 R C 0.027 176.269 176.300 -0.096 0.000 1.052 273 R CA -0.857 55.269 56.100 0.044 0.000 0.988 273 R CB 0.527 30.819 30.300 -0.013 0.000 1.025 273 R HN 0.293 nan 8.270 nan 0.000 0.469 274 L N 5.620 126.621 121.223 -0.371 0.000 2.342 274 L HA 0.124 4.463 4.340 -0.001 0.000 0.285 274 L C 0.033 176.620 176.870 -0.472 0.000 1.095 274 L CA 0.084 54.430 54.840 -0.823 0.000 0.843 274 L CB 0.882 42.326 42.059 -1.026 0.000 1.201 274 L HN 0.837 nan 8.230 nan 0.000 0.445 275 L N 5.126 126.161 121.223 -0.313 0.000 2.127 275 L HA 0.472 4.811 4.340 -0.001 0.000 0.203 275 L C 0.915 177.845 176.870 0.100 0.000 1.080 275 L CA 1.335 56.123 54.840 -0.087 0.000 0.768 275 L CB -0.812 41.203 42.059 -0.073 0.000 0.924 275 L HN 0.818 nan 8.230 nan 0.000 0.444 276 A N -1.955 120.901 122.820 0.061 0.000 2.438 276 A HA 0.620 4.939 4.320 -0.001 0.000 0.301 276 A C -1.861 175.785 177.584 0.103 0.000 1.101 276 A CA -0.566 51.593 52.037 0.203 0.000 0.621 276 A CB 0.548 19.558 19.000 0.016 0.000 1.350 276 A HN -0.107 nan 8.150 nan 0.000 0.496 277 L N -0.013 121.251 121.223 0.069 0.000 2.356 277 L HA 0.777 5.116 4.340 -0.001 0.000 0.277 277 L C 0.131 176.977 176.870 -0.040 0.000 0.996 277 L CA -0.500 54.332 54.840 -0.013 0.000 0.822 277 L CB 1.759 43.817 42.059 -0.001 0.000 1.256 277 L HN 1.115 nan 8.230 nan 0.000 0.413 278 A N 2.668 125.446 122.820 -0.070 0.000 2.527 278 A HA 0.640 4.960 4.320 -0.001 0.000 0.293 278 A C -1.270 176.266 177.584 -0.080 0.000 1.117 278 A CA -0.573 51.422 52.037 -0.070 0.000 0.723 278 A CB 2.095 21.040 19.000 -0.091 0.000 1.313 278 A HN 0.695 nan 8.150 nan 0.000 0.411 279 E N 0.933 121.099 120.200 -0.057 0.000 2.175 279 E HA 0.579 4.929 4.350 -0.001 0.000 0.278 279 E C -0.077 176.481 176.600 -0.070 0.000 0.969 279 E CA -0.684 55.688 56.400 -0.045 0.000 0.796 279 E CB 1.403 31.098 29.700 -0.008 0.000 1.104 279 E HN 0.890 nan 8.360 nan 0.000 0.395 280 A N 4.057 126.833 122.820 -0.074 0.000 2.451 280 A HA 0.056 4.375 4.320 -0.001 0.000 0.266 280 A C 0.575 178.183 177.584 0.040 0.000 1.119 280 A CA -0.125 51.895 52.037 -0.028 0.000 0.786 280 A CB 0.456 19.511 19.000 0.093 0.000 1.061 280 A HN 0.838 nan 8.150 nan 0.000 0.503 281 E N 1.411 121.632 120.200 0.034 0.000 2.478 281 E HA 0.076 4.426 4.350 -0.001 0.000 0.194 281 E C 0.633 177.253 176.600 0.032 0.000 1.045 281 E CA 0.850 57.261 56.400 0.019 0.000 0.868 281 E CB 0.079 29.774 29.700 -0.008 0.000 0.885 281 E HN 0.717 nan 8.360 nan 0.000 0.505 282 R N -1.041 119.520 120.500 0.101 0.000 2.781 282 R HA 0.351 4.691 4.340 -0.001 0.000 0.268 282 R C -0.891 175.518 176.300 0.182 0.000 1.047 282 R CA -0.930 55.221 56.100 0.084 0.000 0.925 282 R CB 0.790 31.140 30.300 0.082 0.000 1.246 282 R HN -0.062 nan 8.270 nan 0.000 0.456 283 N N 0.233 118.993 118.700 0.100 0.000 2.493 283 N HA 0.040 4.779 4.740 -0.001 0.000 0.275 283 N C -0.360 175.106 175.510 -0.074 0.000 1.186 283 N CA -0.081 53.001 53.050 0.052 0.000 0.978 283 N CB 1.605 40.110 38.487 0.030 0.000 1.184 283 N HN 0.364 nan 8.380 nan 0.000 0.487 284 S N 0.376 115.810 115.700 -0.443 0.000 4.175 284 S HA 0.136 4.606 4.470 -0.001 0.000 0.193 284 S C 0.535 175.035 174.600 -0.167 0.000 1.373 284 S CA 0.064 57.897 58.200 -0.612 0.000 0.908 284 S CB -1.128 61.427 63.200 -1.076 0.000 1.547 284 S HN 0.638 nan 8.310 nan 0.000 0.440 285 S N 1.361 117.057 115.700 -0.007 0.000 1.936 285 S HA 0.027 4.496 4.470 -0.001 0.000 0.184 285 S C 0.491 175.126 174.600 0.059 0.000 0.757 285 S CA -0.377 57.814 58.200 -0.014 0.000 1.740 285 S CB -1.139 62.045 63.200 -0.028 0.000 1.156 285 S HN 0.464 nan 8.310 nan 0.000 0.474 286 F N 3.595 123.542 119.950 -0.006 0.000 2.811 286 F HA 0.453 4.979 4.527 -0.001 0.000 0.301 286 F C 1.399 177.223 175.800 0.040 0.000 1.151 286 F CA 0.076 58.082 58.000 0.010 0.000 1.412 286 F CB 0.020 39.034 39.000 0.023 0.000 1.113 286 F HN 0.142 nan 8.300 nan 0.000 0.579 287 L N -0.310 121.011 121.223 0.163 0.000 2.095 287 L HA -0.114 4.225 4.340 -0.001 0.000 0.204 287 L C 2.394 179.290 176.870 0.043 0.000 1.080 287 L CA 1.317 56.280 54.840 0.205 0.000 0.759 287 L CB -1.541 40.829 42.059 0.518 0.000 0.914 287 L HN 0.125 nan 8.230 nan 0.000 0.439 288 E N 0.612 120.777 120.200 -0.059 0.000 2.110 288 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 288 E C 2.171 178.640 176.600 -0.219 0.000 0.988 288 E CA 1.964 58.284 56.400 -0.132 0.000 0.804 288 E CB -0.077 29.523 29.700 -0.167 0.000 0.745 288 E HN 0.559 nan 8.360 nan 0.000 0.458 289 T N -1.749 112.598 114.554 -0.346 0.000 2.942 289 T HA -0.070 4.280 4.350 -0.001 0.000 0.265 289 T C 1.848 176.210 174.700 -0.563 0.000 1.062 289 T CA 0.832 62.613 62.100 -0.532 0.000 1.139 289 T CB -0.359 68.088 68.868 -0.702 0.000 0.883 289 T HN 0.134 nan 8.240 nan 0.000 0.468 290 L N 0.967 121.961 121.223 -0.381 0.000 2.217 290 L HA 0.314 4.654 4.340 -0.001 0.000 0.211 290 L C 2.772 179.593 176.870 -0.082 0.000 1.107 290 L CA 1.302 56.051 54.840 -0.152 0.000 0.783 290 L CB -0.625 41.459 42.059 0.042 0.000 0.919 290 L HN 0.219 nan 8.230 nan 0.000 0.442 291 R N -1.270 119.180 120.500 -0.083 0.000 2.193 291 R HA -0.069 4.271 4.340 -0.001 0.000 0.213 291 R C 1.988 178.247 176.300 -0.069 0.000 1.055 291 R CA 0.506 56.592 56.100 -0.023 0.000 0.995 291 R CB 0.145 30.457 30.300 0.020 0.000 0.893 291 R HN 0.148 nan 8.270 nan 0.000 0.459 292 K N -0.008 120.276 120.400 -0.193 0.000 2.007 292 K HA -0.066 4.253 4.320 -0.001 0.000 0.206 292 K C 1.030 177.587 176.600 -0.072 0.000 1.047 292 K CA 1.191 57.361 56.287 -0.196 0.000 0.937 292 K CB -0.262 32.014 32.500 -0.372 0.000 0.718 292 K HN 0.347 nan 8.250 nan 0.000 0.438 293 H N 2.828 121.884 119.070 -0.023 0.000 2.708 293 H HA 0.031 4.586 4.556 -0.001 0.000 0.309 293 H C -0.182 175.154 175.328 0.013 0.000 1.084 293 H CA -0.155 55.889 56.048 -0.006 0.000 1.165 293 H CB -1.144 28.613 29.762 -0.007 0.000 1.388 293 H HN 0.296 nan 8.280 nan 0.000 0.553 294 E N 0.811 121.064 120.200 0.088 0.000 1.822 294 E HA -0.303 4.046 4.350 -0.001 0.000 0.168 294 E C -0.702 175.951 176.600 0.089 0.000 1.351 294 E CA 0.535 56.980 56.400 0.074 0.000 0.547 294 E CB -1.273 28.466 29.700 0.065 0.000 1.036 294 E HN 0.507 nan 8.360 nan 0.000 0.280 295 R N 1.841 122.396 120.500 0.092 0.000 2.320 295 R HA 0.133 4.472 4.340 -0.001 0.000 0.319 295 R C 0.381 176.740 176.300 0.098 0.000 0.969 295 R CA -0.714 55.446 56.100 0.099 0.000 0.857 295 R CB 1.110 31.480 30.300 0.116 0.000 1.160 295 R HN 0.223 nan 8.270 nan 0.000 0.491 296 Q N 3.358 123.225 119.800 0.111 0.000 2.600 296 Q HA 0.040 4.380 4.340 -0.001 0.000 0.276 296 Q C -0.141 175.940 176.000 0.136 0.000 1.006 296 Q CA 0.303 56.201 55.803 0.159 0.000 0.942 296 Q CB -0.104 28.748 28.738 0.190 0.000 1.383 296 Q HN 0.346 nan 8.270 nan 0.000 0.414 297 R N 0.183 120.690 120.500 0.012 0.000 2.774 297 R HA 0.183 4.522 4.340 -0.001 0.000 0.269 297 R C 0.628 176.649 176.300 -0.466 0.000 1.068 297 R CA -0.356 55.658 56.100 -0.144 0.000 1.180 297 R CB 0.720 31.003 30.300 -0.029 0.000 1.077 297 R HN 0.127 nan 8.270 nan 0.000 0.513 298 R N 1.127 121.262 120.500 -0.608 0.000 2.389 298 R HA 0.075 4.414 4.340 -0.001 0.000 0.295 298 R C 0.225 176.404 176.300 -0.202 0.000 1.075 298 R CA -0.158 55.569 56.100 -0.623 0.000 1.005 298 R CB 0.784 30.865 30.300 -0.365 0.000 0.987 298 R HN 0.468 nan 8.270 nan 0.000 0.452 299 V N 5.273 125.126 119.914 -0.101 0.000 2.672 299 V HA 0.117 4.236 4.120 -0.001 0.000 0.242 299 V C 0.725 176.807 176.094 -0.019 0.000 1.059 299 V CA 0.692 62.989 62.300 -0.006 0.000 1.081 299 V CB -0.004 31.835 31.823 0.026 0.000 0.752 299 V HN 0.603 nan 8.190 nan 0.000 0.472 300 L N -0.689 120.505 121.223 -0.049 0.000 2.323 300 L HA 0.625 4.964 4.340 -0.001 0.000 0.265 300 L C -0.569 176.275 176.870 -0.043 0.000 1.012 300 L CA -0.279 54.515 54.840 -0.076 0.000 0.820 300 L CB 2.232 44.210 42.059 -0.134 0.000 1.334 300 L HN -0.059 nan 8.230 nan 0.000 0.427 301 T N 1.972 116.499 114.554 -0.046 0.000 2.840 301 T HA 0.469 4.819 4.350 -0.001 0.000 0.287 301 T C -0.178 174.503 174.700 -0.033 0.000 0.991 301 T CA -0.564 61.520 62.100 -0.026 0.000 0.964 301 T CB 1.185 70.041 68.868 -0.019 0.000 0.954 301 T HN 0.276 nan 8.240 nan 0.000 0.438 302 L N 3.382 124.588 121.223 -0.029 0.000 2.540 302 L HA 0.216 4.556 4.340 -0.001 0.000 0.276 302 L C 1.609 178.456 176.870 -0.038 0.000 1.212 302 L CA 0.272 55.088 54.840 -0.040 0.000 0.893 302 L CB 0.371 42.406 42.059 -0.041 0.000 1.138 302 L HN 0.683 nan 8.230 nan 0.000 0.491 303 R N 1.739 122.214 120.500 -0.042 0.000 2.507 303 R HA 0.207 4.546 4.340 -0.001 0.000 0.230 303 R C -0.405 175.861 176.300 -0.057 0.000 0.897 303 R CA -0.029 56.055 56.100 -0.027 0.000 1.006 303 R CB 0.687 30.996 30.300 0.015 0.000 1.341 303 R HN 0.478 nan 8.270 nan 0.000 0.604 304 K N 0.355 120.684 120.400 -0.117 0.000 2.606 304 K HA 0.279 4.599 4.320 -0.001 0.000 0.259 304 K C -1.860 174.483 176.600 -0.428 0.000 1.001 304 K CA -0.316 55.809 56.287 -0.271 0.000 0.881 304 K CB 2.289 34.633 32.500 -0.259 0.000 1.288 304 K HN -0.082 nan 8.250 nan 0.000 0.452 305 V N 4.161 123.811 119.914 -0.440 0.000 2.483 305 V HA 0.541 4.661 4.120 -0.001 0.000 0.295 305 V C -0.610 175.170 176.094 -0.524 0.000 1.035 305 V CA -0.666 61.424 62.300 -0.350 0.000 0.896 305 V CB 1.105 32.827 31.823 -0.168 0.000 0.986 305 V HN 0.547 nan 8.190 nan 0.000 0.447 306 F N 4.210 124.080 119.950 -0.134 0.000 2.318 306 F HA 0.360 4.887 4.527 -0.001 0.000 0.356 306 F C 0.667 176.371 175.800 -0.159 0.000 1.109 306 F CA -0.800 57.104 58.000 -0.160 0.000 1.234 306 F CB 0.838 39.717 39.000 -0.203 0.000 1.545 306 F HN 0.500 nan 8.300 nan 0.000 0.534 307 Q N 1.953 121.734 119.800 -0.031 0.000 2.503 307 Q HA 0.272 4.611 4.340 -0.001 0.000 0.227 307 Q C -0.082 175.886 176.000 -0.052 0.000 1.109 307 Q CA -0.281 55.499 55.803 -0.038 0.000 0.922 307 Q CB 0.387 29.101 28.738 -0.041 0.000 1.249 307 Q HN 0.403 nan 8.270 nan 0.000 0.530 308 T N 0.000 114.508 114.554 -0.077 0.000 3.816 308 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 308 T CA 0.000 62.055 62.100 -0.075 0.000 1.349 308 T CB 0.000 68.825 68.868 -0.072 0.000 0.612 308 T HN 0.000 nan 8.240 nan 0.000 0.658