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 2dwt_1_A DATA FIRST_RESID 44 DATA SEQUENCE LPRVKHTLVP PPFAHAHEQV AASGPVINEF EMRIIEKEVQ LDEDAYLQAM DATA SEQUENCE TFDGSIPGPL MIVHEGDYVE LTLINPPENT MPHNIDFHAA TGALGGGGLT DATA SEQUENCE LINPGEKVVL RFKATRAGAF VYHCAPGGPM IPWHVVSGMA GCIMVLPRDG DATA SEQUENCE LKDHEGKPVR YDTVYYIGES DHYIPKDEDG TYMRFSDPSE GYEDMVAVMD DATA SEQUENCE TLIPSHIVFN GAVGALTGEG ALKAKVGDNV LFVHSQPNRD SRPHLIGGHG DATA SEQUENCE DLVWETGKFH NAPERDLETW FIRGGSAGAA LYKFLQPGVY AYVNHNLIEA DATA SEQUENCE VHKGATAHVL VEGEWDNDLM EQVVAPVGL 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 44 L HA 0.000 nan 4.340 nan 0.000 0.249 44 L C 0.000 176.841 176.870 -0.049 0.000 1.165 44 L CA 0.000 54.814 54.840 -0.043 0.000 0.813 44 L CB 0.000 42.028 42.059 -0.051 0.000 0.961 45 P HA 0.396 nan 4.420 nan 0.000 0.272 45 P C -1.053 176.213 177.300 -0.057 0.000 1.223 45 P CA -0.311 62.762 63.100 -0.045 0.000 0.784 45 P CB 0.554 32.234 31.700 -0.034 0.000 0.923 46 R N 0.444 120.897 120.500 -0.077 0.000 2.589 46 R HA 0.686 3.914 4.340 -1.853 0.000 0.293 46 R C -1.225 174.993 176.300 -0.138 0.000 0.963 46 R CA -0.972 55.066 56.100 -0.103 0.000 0.905 46 R CB 1.804 32.040 30.300 -0.108 0.000 1.144 46 R HN 0.176 nan 8.270 nan 0.000 0.459 47 V N 2.704 122.498 119.914 -0.200 0.000 2.525 47 V HA 0.313 3.321 4.120 -1.853 0.000 0.299 47 V C -0.313 175.462 176.094 -0.532 0.000 1.034 47 V CA -0.912 61.194 62.300 -0.324 0.000 0.863 47 V CB 1.768 33.420 31.823 -0.285 0.000 0.999 47 V HN 0.590 nan 8.190 nan 0.000 0.423 48 K N 3.312 123.411 120.400 -0.502 0.000 2.098 48 K HA 0.539 3.747 4.320 -1.853 0.000 0.258 48 K C -1.178 175.004 176.600 -0.696 0.000 0.973 48 K CA -0.558 55.436 56.287 -0.490 0.000 0.898 48 K CB 0.990 33.334 32.500 -0.260 0.000 1.057 48 K HN 0.780 nan 8.250 nan 0.000 0.447 49 H N 0.740 119.596 119.070 -0.356 0.000 2.768 49 H HA 0.259 3.703 4.556 -1.852 0.000 0.371 49 H C -0.854 174.380 175.328 -0.157 0.000 1.151 49 H CA -0.516 55.319 56.048 -0.355 0.000 1.165 49 H CB 2.264 31.609 29.762 -0.696 0.000 1.722 49 H HN 0.461 nan 8.280 nan 0.000 0.543 50 T N 3.865 118.452 114.554 0.055 0.000 2.788 50 T HA 0.313 3.551 4.350 -1.853 0.000 0.296 50 T C 0.748 175.554 174.700 0.178 0.000 1.009 50 T CA -0.669 61.492 62.100 0.102 0.000 0.949 50 T CB 0.417 69.332 68.868 0.077 0.000 0.946 50 T HN 0.202 nan 8.240 nan 0.000 0.453 51 L N 3.779 125.131 121.223 0.215 0.000 2.426 51 L HA 0.426 3.654 4.340 -1.853 0.000 0.271 51 L C 0.540 177.551 176.870 0.235 0.000 1.169 51 L CA -0.556 54.447 54.840 0.271 0.000 0.836 51 L CB 0.537 42.748 42.059 0.252 0.000 1.112 51 L HN 0.415 nan 8.230 nan 0.000 0.465 52 V N 1.310 121.386 119.914 0.269 0.000 2.483 52 V HA 0.587 3.595 4.120 -1.853 0.000 0.295 52 V C -2.406 173.837 176.094 0.249 0.000 1.035 52 V CA -2.467 59.975 62.300 0.237 0.000 0.896 52 V CB 1.066 33.039 31.823 0.251 0.000 0.986 52 V HN 0.523 nan 8.190 nan 0.000 0.447 53 P HA 0.275 nan 4.420 nan 0.000 0.269 53 P C -2.586 174.870 177.300 0.262 0.000 1.215 53 P CA -0.890 62.343 63.100 0.221 0.000 0.780 53 P CB -0.205 31.604 31.700 0.181 0.000 0.898 54 P HA 0.067 nan 4.420 nan 0.000 0.270 54 P C -1.996 175.290 177.300 -0.023 0.000 1.223 54 P CA -1.293 61.857 63.100 0.083 0.000 0.785 54 P CB -0.270 31.413 31.700 -0.028 0.000 0.923 55 P HA 0.102 nan 4.420 nan 0.000 0.253 55 P C -0.072 177.077 177.300 -0.252 0.000 1.260 55 P CA 0.259 63.158 63.100 -0.334 0.000 0.800 55 P CB -0.023 31.380 31.700 -0.496 0.000 1.162 56 F N 1.389 121.445 119.950 0.175 0.000 2.348 56 F HA 0.567 3.984 4.527 -1.850 0.000 0.308 56 F C 1.129 177.004 175.800 0.126 0.000 1.175 56 F CA -0.885 57.213 58.000 0.164 0.000 1.080 56 F CB 0.229 39.314 39.000 0.142 0.000 1.341 56 F HN -0.162 nan 8.300 nan 0.000 0.518 57 A N -0.663 122.331 122.820 0.290 0.000 2.393 57 A HA 0.597 3.805 4.320 -1.853 0.000 0.306 57 A C -1.115 176.577 177.584 0.179 0.000 1.050 57 A CA -0.824 51.289 52.037 0.128 0.000 0.724 57 A CB 0.218 19.229 19.000 0.019 0.000 1.248 57 A HN 0.882 nan 8.150 nan 0.000 0.424 58 H N 0.835 120.035 119.070 0.217 0.000 2.730 58 H HA 0.615 4.060 4.556 -1.853 0.000 0.376 58 H C 0.441 175.959 175.328 0.318 0.000 1.299 58 H CA 0.035 56.224 56.048 0.235 0.000 1.447 58 H CB 0.439 30.342 29.762 0.236 0.000 1.493 58 H HN 0.822 nan 8.280 nan 0.000 0.619 59 A N 2.068 125.183 122.820 0.492 0.000 2.407 59 A HA 0.409 3.617 4.320 -1.853 0.000 0.248 59 A C -0.186 177.680 177.584 0.471 0.000 1.082 59 A CA 0.199 52.435 52.037 0.331 0.000 0.785 59 A CB -0.265 18.850 19.000 0.192 0.000 1.020 59 A HN 1.073 nan 8.150 nan 0.000 0.489 60 H N -0.431 118.740 119.070 0.168 0.000 2.967 60 H HA 0.490 3.934 4.556 -1.853 0.000 0.318 60 H C -1.647 173.753 175.328 0.121 0.000 1.375 60 H CA -0.926 55.228 56.048 0.176 0.000 1.132 60 H CB 0.590 30.406 29.762 0.089 0.000 1.848 60 H HN 0.584 nan 8.280 nan 0.000 0.524 61 E N 0.814 121.151 120.200 0.229 0.000 2.202 61 E HA 0.179 3.417 4.350 -1.853 0.000 0.272 61 E C 0.328 177.086 176.600 0.263 0.000 0.951 61 E CA -0.827 55.639 56.400 0.110 0.000 0.813 61 E CB 3.008 32.747 29.700 0.066 0.000 1.151 61 E HN 0.618 nan 8.360 nan 0.000 0.398 62 Q N 0.242 120.094 119.800 0.086 0.000 2.020 62 Q HA 0.010 3.238 4.340 -1.853 0.000 0.198 62 Q C 0.505 176.634 176.000 0.214 0.000 0.974 62 Q CA 0.877 56.747 55.803 0.111 0.000 0.829 62 Q CB 0.271 28.907 28.738 -0.171 0.000 0.894 62 Q HN 0.266 nan 8.270 nan 0.000 0.433 63 V N 1.643 121.571 119.914 0.024 0.000 2.498 63 V HA 0.267 3.275 4.120 -1.853 0.000 0.279 63 V C -0.071 175.898 176.094 -0.208 0.000 1.048 63 V CA -0.659 61.605 62.300 -0.059 0.000 0.967 63 V CB 0.966 32.751 31.823 -0.063 0.000 0.988 63 V HN 0.272 nan 8.190 nan 0.000 0.473 64 A N 4.200 126.746 122.820 -0.456 0.000 2.524 64 A HA 0.484 3.692 4.320 -1.853 0.000 0.250 64 A C 1.493 178.936 177.584 -0.236 0.000 1.078 64 A CA 0.442 52.120 52.037 -0.598 0.000 0.761 64 A CB 0.215 18.888 19.000 -0.545 0.000 1.012 64 A HN 1.312 nan 8.150 nan 0.000 0.500 65 A N 2.975 125.705 122.820 -0.151 0.000 1.877 65 A HA 0.130 3.338 4.320 -1.853 0.000 0.216 65 A C 1.759 179.302 177.584 -0.068 0.000 1.186 65 A CA 1.935 53.925 52.037 -0.078 0.000 0.620 65 A CB -0.782 18.195 19.000 -0.039 0.000 0.822 65 A HN 1.600 nan 8.150 nan 0.000 0.443 66 S N -1.866 113.796 115.700 -0.063 0.000 2.748 66 S HA 0.640 3.998 4.470 -1.853 0.000 0.299 66 S C 0.689 175.266 174.600 -0.039 0.000 1.119 66 S CA -0.225 57.950 58.200 -0.040 0.000 0.997 66 S CB 0.616 63.803 63.200 -0.021 0.000 1.223 66 S HN 0.830 nan 8.310 nan 0.000 0.541 67 G N 0.144 108.934 108.800 -0.016 0.000 2.621 67 G HA2 0.526 3.374 3.960 -1.853 0.000 0.271 67 G HA3 0.526 3.374 3.960 -1.853 0.000 0.271 67 G C -2.812 172.098 174.900 0.018 0.000 1.236 67 G CA -1.627 43.472 45.100 -0.001 0.000 0.958 67 G HN 0.587 nan 8.290 nan 0.000 0.512 68 P HA 0.137 nan 4.420 nan 0.000 0.263 68 P C 0.158 177.509 177.300 0.085 0.000 1.168 68 P CA 0.102 63.247 63.100 0.075 0.000 0.759 68 P CB 0.767 32.529 31.700 0.103 0.000 0.782 69 V N 1.355 121.331 119.914 0.103 0.000 3.158 69 V HA 0.612 3.620 4.120 -1.853 0.000 0.311 69 V C -0.639 175.525 176.094 0.118 0.000 1.181 69 V CA -1.130 61.218 62.300 0.079 0.000 1.054 69 V CB 2.050 33.901 31.823 0.047 0.000 1.085 69 V HN 0.214 nan 8.190 nan 0.000 0.446 70 I N 2.645 123.240 120.570 0.042 0.000 2.330 70 I HA 0.427 3.485 4.170 -1.853 0.000 0.289 70 I C -0.300 175.793 176.117 -0.040 0.000 1.001 70 I CA -0.364 60.946 61.300 0.016 0.000 1.193 70 I CB 1.076 39.033 38.000 -0.071 0.000 1.345 70 I HN 0.608 nan 8.210 nan 0.000 0.461 71 N N 6.797 125.480 118.700 -0.028 0.000 2.414 71 N HA 0.247 3.875 4.740 -1.853 0.000 0.256 71 N C -0.682 174.690 175.510 -0.230 0.000 1.029 71 N CA -0.344 52.653 53.050 -0.088 0.000 0.948 71 N CB 1.509 40.025 38.487 0.048 0.000 1.102 71 N HN 0.590 nan 8.380 nan 0.000 0.496 72 E N 1.873 121.863 120.200 -0.350 0.000 2.156 72 E HA 0.397 3.635 4.350 -1.853 0.000 0.279 72 E C -0.891 175.435 176.600 -0.456 0.000 0.965 72 E CA -0.305 55.924 56.400 -0.285 0.000 0.789 72 E CB 1.069 30.645 29.700 -0.206 0.000 1.098 72 E HN 0.353 nan 8.360 nan 0.000 0.397 73 F N 1.061 121.021 119.950 0.016 0.000 2.593 73 F HA 0.410 3.826 4.527 -1.851 0.000 0.320 73 F C 0.044 175.854 175.800 0.016 0.000 1.060 73 F CA -0.901 57.113 58.000 0.023 0.000 0.940 73 F CB 1.986 40.990 39.000 0.006 0.000 1.268 73 F HN 0.326 nan 8.300 nan 0.000 0.475 74 E N 2.264 122.596 120.200 0.220 0.000 2.292 74 E HA 0.664 3.902 4.350 -1.853 0.000 0.272 74 E C -1.742 174.944 176.600 0.144 0.000 0.881 74 E CA -0.628 55.858 56.400 0.143 0.000 0.754 74 E CB 1.815 31.570 29.700 0.090 0.000 1.201 74 E HN 0.678 nan 8.360 nan 0.000 0.425 75 M N 2.671 122.347 119.600 0.127 0.000 2.550 75 M HA 0.489 3.857 4.480 -1.853 0.000 0.292 75 M C -0.781 175.598 176.300 0.131 0.000 1.221 75 M CA -0.840 54.541 55.300 0.135 0.000 0.873 75 M CB 2.786 35.472 32.600 0.143 0.000 1.727 75 M HN 0.389 nan 8.290 nan 0.000 0.459 76 R N 1.312 121.885 120.500 0.122 0.000 2.437 76 R HA 0.637 3.865 4.340 -1.853 0.000 0.310 76 R C -1.317 175.020 176.300 0.062 0.000 0.955 76 R CA -0.569 55.583 56.100 0.085 0.000 0.851 76 R CB 1.431 31.771 30.300 0.065 0.000 1.161 76 R HN 0.605 nan 8.270 nan 0.000 0.446 77 I N 5.215 125.792 120.570 0.011 0.000 2.471 77 I HA 0.150 3.208 4.170 -1.853 0.000 0.286 77 I C -0.007 176.036 176.117 -0.122 0.000 1.079 77 I CA 0.450 61.672 61.300 -0.130 0.000 1.398 77 I CB 0.655 38.497 38.000 -0.264 0.000 1.403 77 I HN 0.402 nan 8.210 nan 0.000 0.530 78 I N 6.729 127.208 120.570 -0.152 0.000 2.439 78 I HA 0.289 3.346 4.170 -1.853 0.000 0.285 78 I C -0.454 175.583 176.117 -0.134 0.000 1.021 78 I CA -0.626 60.613 61.300 -0.101 0.000 1.091 78 I CB 1.368 39.342 38.000 -0.044 0.000 1.242 78 I HN 0.571 nan 8.210 nan 0.000 0.439 79 E N 7.465 127.603 120.200 -0.102 0.000 2.200 79 E HA 0.506 3.744 4.350 -1.853 0.000 0.283 79 E C -0.849 175.721 176.600 -0.050 0.000 1.015 79 E CA -0.676 55.669 56.400 -0.092 0.000 0.819 79 E CB 1.466 31.136 29.700 -0.050 0.000 1.081 79 E HN 0.531 nan 8.360 nan 0.000 0.397 80 K N 1.194 121.563 120.400 -0.051 0.000 2.610 80 K HA 0.280 3.488 4.320 -1.853 0.000 0.278 80 K C -1.130 175.460 176.600 -0.015 0.000 0.964 80 K CA -0.940 55.334 56.287 -0.022 0.000 0.859 80 K CB 1.377 33.866 32.500 -0.019 0.000 1.434 80 K HN 0.293 nan 8.250 nan 0.000 0.410 81 E N 2.042 122.248 120.200 0.010 0.000 2.316 81 E HA 0.200 3.438 4.350 -1.853 0.000 0.275 81 E C -0.402 176.224 176.600 0.043 0.000 1.029 81 E CA -0.677 55.744 56.400 0.035 0.000 0.871 81 E CB 1.095 30.819 29.700 0.039 0.000 1.022 81 E HN 0.468 nan 8.360 nan 0.000 0.418 82 V N 1.481 121.414 119.914 0.031 0.000 3.019 82 V HA 0.437 3.445 4.120 -1.853 0.000 0.317 82 V C -0.595 175.512 176.094 0.020 0.000 1.094 82 V CA -1.016 61.289 62.300 0.007 0.000 1.000 82 V CB 1.704 33.483 31.823 -0.074 0.000 1.060 82 V HN 0.756 nan 8.190 nan 0.000 0.443 83 Q N 1.301 121.068 119.800 -0.054 0.000 2.340 83 Q HA 0.509 3.737 4.340 -1.853 0.000 0.259 83 Q C -0.057 175.727 176.000 -0.360 0.000 0.964 83 Q CA -0.507 55.111 55.803 -0.308 0.000 0.900 83 Q CB 1.609 30.189 28.738 -0.263 0.000 1.228 83 Q HN 0.910 nan 8.270 nan 0.000 0.449 84 L N 2.400 123.327 121.223 -0.493 0.000 2.209 84 L HA 0.201 3.429 4.340 -1.853 0.000 0.207 84 L C 0.496 177.126 176.870 -0.400 0.000 1.094 84 L CA 0.636 55.192 54.840 -0.474 0.000 0.790 84 L CB 0.231 41.864 42.059 -0.711 0.000 0.932 84 L HN 0.678 nan 8.230 nan 0.000 0.447 85 D N -2.617 117.520 120.400 -0.439 0.000 2.692 85 D HA 0.029 3.557 4.640 -1.853 0.000 0.290 85 D C 0.301 176.434 176.300 -0.280 0.000 1.281 85 D CA -0.517 53.317 54.000 -0.276 0.000 0.804 85 D CB 1.041 41.736 40.800 -0.174 0.000 1.331 85 D HN -0.082 nan 8.370 nan 0.000 0.432 86 E N -0.297 119.816 120.200 -0.147 0.000 2.086 86 E HA -0.226 3.012 4.350 -1.853 0.000 0.205 86 E C 0.368 176.912 176.600 -0.093 0.000 1.027 86 E CA 1.969 58.312 56.400 -0.095 0.000 0.830 86 E CB 0.089 29.769 29.700 -0.034 0.000 0.751 86 E HN 0.489 nan 8.360 nan 0.000 0.456 87 D N -1.443 118.928 120.400 -0.049 0.000 2.463 87 D HA 0.240 3.768 4.640 -1.853 0.000 0.224 87 D C -0.645 175.692 176.300 0.061 0.000 1.174 87 D CA -0.071 53.967 54.000 0.065 0.000 0.829 87 D CB 0.820 41.709 40.800 0.148 0.000 0.993 87 D HN 0.113 nan 8.370 nan 0.000 0.497 88 A N 0.375 123.006 122.820 -0.315 0.000 2.429 88 A HA 0.568 3.776 4.320 -1.853 0.000 0.289 88 A C -1.865 175.283 177.584 -0.726 0.000 1.043 88 A CA -0.754 51.038 52.037 -0.408 0.000 0.722 88 A CB 1.052 19.689 19.000 -0.605 0.000 1.243 88 A HN 0.108 nan 8.150 nan 0.000 0.415 89 Y N 0.822 121.005 120.300 -0.196 0.000 2.562 89 Y HA 0.768 4.207 4.550 -1.853 0.000 0.343 89 Y C -0.340 175.479 175.900 -0.136 0.000 1.025 89 Y CA -1.167 56.840 58.100 -0.155 0.000 1.082 89 Y CB 2.246 40.663 38.460 -0.072 0.000 1.264 89 Y HN 0.664 nan 8.280 nan 0.000 0.478 90 L N 2.014 123.252 121.223 0.026 0.000 2.409 90 L HA 0.473 3.701 4.340 -1.853 0.000 0.272 90 L C -1.039 175.853 176.870 0.036 0.000 0.980 90 L CA -0.940 53.889 54.840 -0.019 0.000 0.826 90 L CB 1.936 43.858 42.059 -0.229 0.000 1.268 90 L HN 0.519 nan 8.230 nan 0.000 0.407 91 Q N 4.197 124.057 119.800 0.099 0.000 2.465 91 Q HA 0.354 3.582 4.340 -1.853 0.000 0.237 91 Q C -0.060 175.905 176.000 -0.058 0.000 1.288 91 Q CA 0.165 56.003 55.803 0.057 0.000 0.888 91 Q CB 0.458 29.269 28.738 0.123 0.000 1.570 91 Q HN 0.729 nan 8.270 nan 0.000 0.532 92 A N 3.349 126.114 122.820 -0.090 0.000 2.304 92 A HA 0.677 3.885 4.320 -1.853 0.000 0.271 92 A C 0.043 177.506 177.584 -0.202 0.000 1.091 92 A CA -0.301 51.644 52.037 -0.152 0.000 0.812 92 A CB 0.665 19.586 19.000 -0.132 0.000 1.056 92 A HN 0.697 nan 8.150 nan 0.000 0.489 93 M N 2.011 121.452 119.600 -0.264 0.000 2.124 93 M HA 0.336 3.704 4.480 -1.853 0.000 0.280 93 M C -0.422 175.675 176.300 -0.339 0.000 0.954 93 M CA -0.261 54.833 55.300 -0.345 0.000 0.958 93 M CB 2.218 34.532 32.600 -0.477 0.000 1.611 93 M HN 0.865 nan 8.290 nan 0.000 0.449 94 T N -0.794 113.565 114.554 -0.326 0.000 2.924 94 T HA 0.734 3.972 4.350 -1.853 0.000 0.291 94 T C -0.810 173.702 174.700 -0.314 0.000 1.045 94 T CA -0.634 61.318 62.100 -0.246 0.000 1.015 94 T CB 1.364 70.174 68.868 -0.096 0.000 1.103 94 T HN 0.270 nan 8.240 nan 0.000 0.496 95 F N 1.762 121.718 119.950 0.009 0.000 2.404 95 F HA 0.389 3.803 4.527 -1.855 0.000 0.358 95 F C 0.866 176.703 175.800 0.060 0.000 1.120 95 F CA -0.298 57.730 58.000 0.045 0.000 1.144 95 F CB 0.389 39.484 39.000 0.159 0.000 1.133 95 F HN 0.745 nan 8.300 nan 0.000 0.495 96 D N 2.696 123.213 120.400 0.196 0.000 2.945 96 D HA -0.187 3.340 4.640 -1.853 0.000 0.225 96 D C 1.412 177.770 176.300 0.097 0.000 1.158 96 D CA 1.607 55.692 54.000 0.141 0.000 0.805 96 D CB -1.082 39.822 40.800 0.172 0.000 1.098 96 D HN 1.003 nan 8.370 nan 0.000 0.426 97 G N -1.370 107.462 108.800 0.053 0.000 2.212 97 G HA2 -0.302 2.546 3.960 -1.853 0.000 0.266 97 G HA3 -0.302 2.546 3.960 -1.853 0.000 0.266 97 G C 0.312 175.234 174.900 0.037 0.000 0.978 97 G CA 1.094 46.212 45.100 0.030 0.000 0.632 97 G HN 1.328 nan 8.290 nan 0.000 0.537 98 S N -0.405 115.337 115.700 0.070 0.000 2.537 98 S HA 0.802 4.160 4.470 -1.853 0.000 0.301 98 S C -0.271 174.363 174.600 0.056 0.000 1.092 98 S CA -0.985 57.253 58.200 0.063 0.000 1.048 98 S CB 2.437 65.691 63.200 0.090 0.000 1.053 98 S HN 0.540 nan 8.310 nan 0.000 0.501 99 I N 3.493 124.074 120.570 0.019 0.000 2.330 99 I HA 0.369 3.427 4.170 -1.853 0.000 0.289 99 I C -2.128 173.975 176.117 -0.024 0.000 1.001 99 I CA -2.467 58.843 61.300 0.016 0.000 1.193 99 I CB 1.732 39.736 38.000 0.007 0.000 1.345 99 I HN 0.478 nan 8.210 nan 0.000 0.461 100 P HA 0.116 nan 4.420 nan 0.000 0.275 100 P C 0.180 177.548 177.300 0.113 0.000 1.266 100 P CA -0.192 62.913 63.100 0.008 0.000 0.793 100 P CB 0.539 32.192 31.700 -0.079 0.000 1.074 101 G N 0.479 109.397 108.800 0.197 0.000 2.554 101 G HA2 0.268 3.116 3.960 -1.853 0.000 0.238 101 G HA3 0.268 3.116 3.960 -1.853 0.000 0.238 101 G C -2.262 172.827 174.900 0.314 0.000 1.259 101 G CA -0.870 44.419 45.100 0.315 0.000 0.843 101 G HN 0.408 nan 8.290 nan 0.000 0.582 102 P HA 0.024 nan 4.420 nan 0.000 0.268 102 P C -0.167 177.270 177.300 0.228 0.000 1.208 102 P CA -0.514 62.754 63.100 0.280 0.000 0.777 102 P CB 0.913 32.753 31.700 0.233 0.000 0.875 103 L N 3.158 124.464 121.223 0.138 0.000 2.410 103 L HA 0.177 3.405 4.340 -1.853 0.000 0.273 103 L C 0.288 177.128 176.870 -0.050 0.000 1.144 103 L CA 0.529 55.299 54.840 -0.117 0.000 0.863 103 L CB -0.437 41.491 42.059 -0.218 0.000 1.140 103 L HN 0.297 nan 8.230 nan 0.000 0.463 104 M N 6.454 125.973 119.600 -0.136 0.000 2.300 104 M HA 0.473 3.841 4.480 -1.853 0.000 0.348 104 M C -0.814 175.396 176.300 -0.150 0.000 1.151 104 M CA -0.243 54.901 55.300 -0.261 0.000 1.046 104 M CB 1.498 33.655 32.600 -0.738 0.000 1.647 104 M HN 0.413 nan 8.290 nan 0.000 0.451 105 I N 3.337 123.926 120.570 0.031 0.000 2.509 105 I HA 0.713 3.771 4.170 -1.853 0.000 0.293 105 I C -0.362 175.779 176.117 0.039 0.000 1.020 105 I CA -0.933 60.292 61.300 -0.125 0.000 1.088 105 I CB 1.900 39.615 38.000 -0.475 0.000 1.267 105 I HN 0.553 nan 8.210 nan 0.000 0.430 106 V N 1.504 121.386 119.914 -0.053 0.000 3.181 106 V HA 0.608 3.616 4.120 -1.853 0.000 0.307 106 V C -1.295 174.676 176.094 -0.205 0.000 1.310 106 V CA -0.818 61.480 62.300 -0.004 0.000 1.067 106 V CB 2.057 33.918 31.823 0.063 0.000 1.081 106 V HN 0.693 nan 8.190 nan 0.000 0.453 107 H N -0.107 119.004 119.070 0.068 0.000 2.529 107 H HA 0.561 4.005 4.556 -1.852 0.000 0.348 107 H C -0.183 175.167 175.328 0.036 0.000 1.152 107 H CA -0.168 55.912 56.048 0.054 0.000 1.202 107 H CB 1.483 31.276 29.762 0.052 0.000 1.562 107 H HN 0.940 nan 8.280 nan 0.000 0.515 108 E N 1.251 121.545 120.200 0.157 0.000 2.529 108 E HA 0.025 3.263 4.350 -1.853 0.000 0.259 108 E C 0.665 177.305 176.600 0.065 0.000 0.966 108 E CA 1.075 57.540 56.400 0.108 0.000 0.937 108 E CB 0.017 29.812 29.700 0.159 0.000 0.923 108 E HN 0.964 nan 8.360 nan 0.000 0.468 109 G N 3.900 112.688 108.800 -0.020 0.000 2.205 109 G HA2 -0.246 2.602 3.960 -1.853 0.000 0.261 109 G HA3 -0.246 2.602 3.960 -1.853 0.000 0.261 109 G C 0.048 174.847 174.900 -0.167 0.000 0.980 109 G CA 0.289 45.331 45.100 -0.097 0.000 0.632 109 G HN 0.653 nan 8.290 nan 0.000 0.533 110 D N -0.507 119.836 120.400 -0.094 0.000 2.393 110 D HA 0.542 4.070 4.640 -1.853 0.000 0.246 110 D C 0.435 176.540 176.300 -0.326 0.000 1.275 110 D CA 0.301 54.259 54.000 -0.071 0.000 0.979 110 D CB 0.233 41.053 40.800 0.034 0.000 1.101 110 D HN 0.247 nan 8.370 nan 0.000 0.505 111 Y N -1.257 118.973 120.300 -0.116 0.000 2.549 111 Y HA 0.522 3.961 4.550 -1.852 0.000 0.339 111 Y C 0.000 175.705 175.900 -0.326 0.000 1.053 111 Y CA -0.943 57.014 58.100 -0.237 0.000 1.105 111 Y CB 1.579 39.933 38.460 -0.177 0.000 1.258 111 Y HN -0.100 nan 8.280 nan 0.000 0.478 112 V N 1.543 121.180 119.914 -0.462 0.000 2.531 112 V HA 0.379 3.386 4.120 -1.853 0.000 0.301 112 V C -0.922 174.925 176.094 -0.411 0.000 1.034 112 V CA -0.999 60.988 62.300 -0.521 0.000 0.865 112 V CB 1.693 32.811 31.823 -1.175 0.000 0.995 112 V HN 0.769 nan 8.190 nan 0.000 0.424 113 E N 3.999 124.111 120.200 -0.146 0.000 2.220 113 E HA 0.592 3.830 4.350 -1.853 0.000 0.256 113 E C -1.781 174.828 176.600 0.015 0.000 0.881 113 E CA -0.682 55.670 56.400 -0.080 0.000 0.766 113 E CB 1.883 31.540 29.700 -0.073 0.000 1.187 113 E HN 0.580 nan 8.360 nan 0.000 0.419 114 L N 3.721 124.976 121.223 0.052 0.000 2.341 114 L HA 0.515 3.743 4.340 -1.853 0.000 0.278 114 L C -0.969 175.965 176.870 0.107 0.000 1.005 114 L CA -0.114 54.803 54.840 0.129 0.000 0.818 114 L CB 2.085 44.256 42.059 0.187 0.000 1.259 114 L HN 0.375 nan 8.230 nan 0.000 0.418 115 T N 6.215 120.829 114.554 0.100 0.000 2.733 115 T HA 0.510 3.748 4.350 -1.853 0.000 0.294 115 T C -0.633 174.128 174.700 0.101 0.000 0.956 115 T CA -0.084 62.066 62.100 0.085 0.000 0.987 115 T CB 0.640 69.546 68.868 0.063 0.000 0.920 115 T HN 0.456 nan 8.240 nan 0.000 0.470 116 L N 5.234 126.521 121.223 0.107 0.000 2.322 116 L HA 0.696 3.924 4.340 -1.853 0.000 0.281 116 L C -1.128 175.807 176.870 0.108 0.000 1.014 116 L CA -0.598 54.316 54.840 0.123 0.000 0.815 116 L CB 0.958 43.106 42.059 0.148 0.000 1.247 116 L HN 0.613 nan 8.230 nan 0.000 0.421 117 I N 4.280 124.914 120.570 0.105 0.000 2.498 117 I HA 0.390 3.448 4.170 -1.853 0.000 0.290 117 I C -0.731 175.435 176.117 0.082 0.000 1.032 117 I CA -0.618 60.733 61.300 0.085 0.000 1.073 117 I CB 1.943 39.986 38.000 0.070 0.000 1.251 117 I HN 0.535 nan 8.210 nan 0.000 0.426 118 N N 8.114 126.865 118.700 0.085 0.000 2.706 118 N HA 0.406 4.034 4.740 -1.853 0.000 0.240 118 N C -2.756 172.799 175.510 0.075 0.000 1.039 118 N CA -2.225 50.882 53.050 0.095 0.000 0.888 118 N CB 1.175 39.753 38.487 0.151 0.000 1.128 118 N HN 0.117 nan 8.380 nan 0.000 0.512 119 P HA 0.084 nan 4.420 nan 0.000 0.266 119 P C -1.881 175.448 177.300 0.048 0.000 1.193 119 P CA -0.860 62.267 63.100 0.045 0.000 0.770 119 P CB 0.354 32.074 31.700 0.033 0.000 0.836 120 P HA -0.158 nan 4.420 nan 0.000 0.226 120 P C 1.009 178.331 177.300 0.036 0.000 1.153 120 P CA 1.316 64.439 63.100 0.038 0.000 0.777 120 P CB -0.009 31.710 31.700 0.030 0.000 0.794 121 E N -0.675 119.545 120.200 0.034 0.000 2.427 121 E HA -0.049 3.189 4.350 -1.853 0.000 0.196 121 E C 0.332 176.955 176.600 0.038 0.000 1.028 121 E CA 0.259 56.678 56.400 0.031 0.000 0.864 121 E CB -0.850 28.865 29.700 0.025 0.000 0.813 121 E HN 0.182 nan 8.360 nan 0.000 0.514 122 N N 1.735 120.465 118.700 0.051 0.000 2.415 122 N HA -0.006 3.622 4.740 -1.853 0.000 0.248 122 N C 0.904 176.457 175.510 0.071 0.000 1.271 122 N CA 1.035 54.130 53.050 0.076 0.000 0.913 122 N CB 1.199 39.763 38.487 0.127 0.000 1.129 122 N HN 0.280 nan 8.380 nan 0.000 0.444 123 T N -2.892 111.706 114.554 0.074 0.000 3.023 123 T HA 0.284 3.522 4.350 -1.853 0.000 0.253 123 T C 0.484 175.199 174.700 0.024 0.000 1.038 123 T CA 0.036 62.166 62.100 0.050 0.000 0.962 123 T CB 0.280 69.182 68.868 0.057 0.000 1.018 123 T HN 0.172 nan 8.240 nan 0.000 0.521 124 M N 1.904 121.492 119.600 -0.021 0.000 2.535 124 M HA 0.607 3.975 4.480 -1.853 0.000 0.314 124 M C -2.943 173.154 176.300 -0.338 0.000 1.153 124 M CA -3.170 52.023 55.300 -0.178 0.000 0.924 124 M CB 1.775 34.184 32.600 -0.318 0.000 1.710 124 M HN -0.191 nan 8.290 nan 0.000 0.451 125 P HA 0.288 nan 4.420 nan 0.000 0.272 125 P C -0.921 176.132 177.300 -0.412 0.000 1.240 125 P CA 0.216 63.194 63.100 -0.204 0.000 0.791 125 P CB 0.576 32.216 31.700 -0.100 0.000 0.978 126 H N -0.017 119.082 119.070 0.049 0.000 3.014 126 H HA 0.395 3.838 4.556 -1.854 0.000 0.337 126 H C -0.281 175.079 175.328 0.053 0.000 1.320 126 H CA -0.331 55.748 56.048 0.052 0.000 1.128 126 H CB 2.000 31.789 29.762 0.045 0.000 1.862 126 H HN 0.557 nan 8.280 nan 0.000 0.536 127 N N 0.553 119.384 118.700 0.218 0.000 3.449 127 N HA 0.415 4.043 4.740 -1.853 0.000 0.312 127 N C -1.467 174.178 175.510 0.225 0.000 1.582 127 N CA -0.643 52.510 53.050 0.172 0.000 0.850 127 N CB 2.044 40.588 38.487 0.095 0.000 1.822 127 N HN 0.612 nan 8.380 nan 0.000 0.577 128 I N -0.451 120.196 120.570 0.127 0.000 2.644 128 I HA 0.340 3.398 4.170 -1.853 0.000 0.291 128 I C -1.928 174.125 176.117 -0.107 0.000 1.180 128 I CA -0.451 60.855 61.300 0.010 0.000 1.040 128 I CB 1.895 39.783 38.000 -0.187 0.000 1.255 128 I HN 0.609 nan 8.210 nan 0.000 0.422 129 D N 7.237 127.485 120.400 -0.253 0.000 2.381 129 D HA 0.340 3.868 4.640 -1.853 0.000 0.235 129 D C -1.525 174.581 176.300 -0.323 0.000 1.068 129 D CA -0.011 53.844 54.000 -0.242 0.000 0.832 129 D CB 0.767 41.368 40.800 -0.331 0.000 1.101 129 D HN 0.205 nan 8.370 nan 0.000 0.515 130 F N 2.453 122.271 119.950 -0.219 0.000 2.411 130 F HA 0.268 3.683 4.527 -1.854 0.000 0.350 130 F C 1.812 177.511 175.800 -0.168 0.000 1.114 130 F CA -0.473 57.373 58.000 -0.256 0.000 1.135 130 F CB 1.319 39.942 39.000 -0.629 0.000 1.120 130 F HN 0.526 nan 8.300 nan 0.000 0.495 131 H N 1.841 120.920 119.070 0.015 0.000 2.547 131 H HA 0.018 3.459 4.556 -1.858 0.000 0.272 131 H C 1.788 177.036 175.328 -0.135 0.000 0.989 131 H CA 0.435 56.515 56.048 0.054 0.000 1.214 131 H CB 0.515 30.426 29.762 0.247 0.000 1.389 131 H HN 0.770 nan 8.280 nan 0.000 0.577 132 A N 0.988 123.604 122.820 -0.340 0.000 2.119 132 A HA 0.258 3.466 4.320 -1.853 0.000 0.216 132 A C 1.314 178.452 177.584 -0.744 0.000 1.152 132 A CA 0.562 51.925 52.037 -1.123 0.000 0.708 132 A CB -0.007 18.566 19.000 -0.711 0.000 0.805 132 A HN 0.301 nan 8.150 nan 0.000 0.460 133 A N -0.876 121.549 122.820 -0.658 0.000 2.320 133 A HA 0.630 3.838 4.320 -1.853 0.000 0.334 133 A C -0.138 177.279 177.584 -0.278 0.000 1.147 133 A CA -0.289 51.362 52.037 -0.644 0.000 0.820 133 A CB 0.626 19.003 19.000 -1.038 0.000 1.218 133 A HN 0.122 nan 8.150 nan 0.000 0.482 134 T N 1.007 115.466 114.554 -0.158 0.000 2.788 134 T HA 0.673 3.910 4.350 -1.853 0.000 0.296 134 T C 0.136 174.814 174.700 -0.036 0.000 1.009 134 T CA 0.562 62.620 62.100 -0.070 0.000 0.949 134 T CB 0.723 69.571 68.868 -0.033 0.000 0.946 134 T HN 2.133 nan 8.240 nan 0.000 0.453 135 G N 1.921 110.704 108.800 -0.028 0.000 2.515 135 G HA2 0.424 3.272 3.960 -1.853 0.000 0.686 135 G HA3 0.424 3.272 3.960 -1.853 0.000 0.686 135 G C 0.151 175.051 174.900 -0.001 0.000 1.274 135 G CA -0.291 44.807 45.100 -0.004 0.000 0.874 135 G HN 1.678 nan 8.290 nan 0.000 0.631 136 A N -0.499 122.327 122.820 0.011 0.000 2.745 136 A HA 0.094 3.302 4.320 -1.853 0.000 0.296 136 A C 1.365 178.958 177.584 0.015 0.000 1.500 136 A CA 1.597 53.644 52.037 0.018 0.000 0.766 136 A CB -1.941 17.077 19.000 0.030 0.000 1.030 136 A HN 2.559 nan 8.150 nan 0.000 0.489 137 L N -3.950 117.279 121.223 0.009 0.000 3.677 137 L HA -0.253 2.975 4.340 -1.853 0.000 0.464 137 L C 1.615 178.485 176.870 0.000 0.000 1.278 137 L CA 0.744 55.590 54.840 0.009 0.000 0.806 137 L CB -2.015 40.056 42.059 0.020 0.000 1.610 137 L HN 2.300 nan 8.230 nan 0.000 0.867 138 G N -1.303 107.487 108.800 -0.017 0.000 2.186 138 G HA2 -0.047 2.801 3.960 -1.853 0.000 0.266 138 G HA3 -0.047 2.801 3.960 -1.853 0.000 0.266 138 G C 1.187 176.079 174.900 -0.013 0.000 0.982 138 G CA 0.938 46.015 45.100 -0.039 0.000 0.670 138 G HN 1.919 nan 8.290 nan 0.000 0.533 139 G N -1.983 106.829 108.800 0.020 0.000 2.255 139 G HA2 0.144 2.992 3.960 -1.853 0.000 0.196 139 G HA3 0.144 2.992 3.960 -1.853 0.000 0.196 139 G C 1.943 176.882 174.900 0.065 0.000 0.998 139 G CA 1.027 46.171 45.100 0.074 0.000 0.656 139 G HN 1.804 nan 8.290 nan 0.000 0.490 140 G N 0.937 109.756 108.800 0.032 0.000 2.469 140 G HA2 0.137 2.985 3.960 -1.853 0.000 0.220 140 G HA3 0.137 2.985 3.960 -1.853 0.000 0.220 140 G C 1.670 176.593 174.900 0.039 0.000 1.136 140 G CA 1.796 46.914 45.100 0.030 0.000 0.759 140 G HN 1.541 nan 8.290 nan 0.000 0.562 141 G N -0.340 108.482 108.800 0.036 0.000 2.848 141 G HA2 0.243 3.091 3.960 -1.853 0.000 0.208 141 G HA3 0.243 3.091 3.960 -1.853 0.000 0.208 141 G C 1.203 176.126 174.900 0.039 0.000 1.152 141 G CA 0.157 45.277 45.100 0.033 0.000 0.789 141 G HN 0.449 nan 8.290 nan 0.000 0.531 142 L N 0.068 121.322 121.223 0.051 0.000 3.217 142 L HA 0.191 3.419 4.340 -1.853 0.000 0.288 142 L C 1.552 178.463 176.870 0.067 0.000 1.202 142 L CA 0.677 55.551 54.840 0.056 0.000 1.027 142 L CB 0.856 42.952 42.059 0.062 0.000 1.427 142 L HN 0.217 nan 8.230 nan 0.000 0.600 143 T N -3.032 111.566 114.554 0.074 0.000 3.170 143 T HA 0.231 3.469 4.350 -1.853 0.000 0.288 143 T C 0.056 174.807 174.700 0.086 0.000 0.992 143 T CA -0.232 61.922 62.100 0.090 0.000 0.909 143 T CB 0.207 69.144 68.868 0.116 0.000 1.133 143 T HN -0.040 nan 8.240 nan 0.000 0.530 144 L N 3.963 125.225 121.223 0.064 0.000 2.456 144 L HA 0.497 3.725 4.340 -1.853 0.000 0.277 144 L C -0.198 176.705 176.870 0.055 0.000 1.124 144 L CA -0.441 54.432 54.840 0.055 0.000 0.880 144 L CB -0.126 41.951 42.059 0.030 0.000 1.192 144 L HN 0.413 nan 8.230 nan 0.000 0.463 145 I N 1.547 122.160 120.570 0.073 0.000 2.569 145 I HA 0.569 3.627 4.170 -1.853 0.000 0.296 145 I C -0.400 175.754 176.117 0.061 0.000 1.028 145 I CA -1.014 60.328 61.300 0.070 0.000 1.082 145 I CB 1.676 39.730 38.000 0.090 0.000 1.264 145 I HN 0.367 nan 8.210 nan 0.000 0.429 146 N N 4.573 123.300 118.700 0.044 0.000 2.483 146 N HA 0.400 4.028 4.740 -1.853 0.000 0.269 146 N C -2.557 172.984 175.510 0.053 0.000 1.209 146 N CA -1.682 51.387 53.050 0.032 0.000 0.969 146 N CB 0.430 38.930 38.487 0.021 0.000 1.173 146 N HN 0.422 nan 8.380 nan 0.000 0.475 147 P HA 0.059 nan 4.420 nan 0.000 0.260 147 P C 0.452 177.782 177.300 0.049 0.000 1.185 147 P CA 0.783 63.921 63.100 0.063 0.000 0.763 147 P CB 0.078 31.809 31.700 0.051 0.000 0.776 148 G N 1.798 110.630 108.800 0.053 0.000 2.140 148 G HA2 -0.180 2.668 3.960 -1.853 0.000 0.211 148 G HA3 -0.180 2.668 3.960 -1.853 0.000 0.211 148 G C -0.263 174.663 174.900 0.042 0.000 1.013 148 G CA -0.414 44.711 45.100 0.042 0.000 0.705 148 G HN 0.537 nan 8.290 nan 0.000 0.508 149 E N -0.506 119.724 120.200 0.051 0.000 2.392 149 E HA 0.671 3.909 4.350 -1.853 0.000 0.269 149 E C -0.050 176.585 176.600 0.058 0.000 0.924 149 E CA -1.100 55.329 56.400 0.049 0.000 0.784 149 E CB 1.754 31.483 29.700 0.048 0.000 1.292 149 E HN 0.441 nan 8.360 nan 0.000 0.447 150 K N -0.594 119.839 120.400 0.054 0.000 2.395 150 K HA 0.830 4.038 4.320 -1.853 0.000 0.245 150 K C -1.267 175.369 176.600 0.060 0.000 1.017 150 K CA -0.923 55.400 56.287 0.061 0.000 0.852 150 K CB 2.330 34.863 32.500 0.054 0.000 1.311 150 K HN 0.255 nan 8.250 nan 0.000 0.452 151 V N 0.384 120.339 119.914 0.068 0.000 3.120 151 V HA 0.491 3.498 4.120 -1.853 0.000 0.303 151 V C -1.907 174.229 176.094 0.070 0.000 1.238 151 V CA -0.705 61.635 62.300 0.066 0.000 1.008 151 V CB 2.461 34.330 31.823 0.076 0.000 1.064 151 V HN 0.614 nan 8.190 nan 0.000 0.434 152 V N 5.821 125.771 119.914 0.060 0.000 2.483 152 V HA 0.578 3.586 4.120 -1.853 0.000 0.297 152 V C -0.685 175.447 176.094 0.063 0.000 1.027 152 V CA -0.548 61.786 62.300 0.057 0.000 0.855 152 V CB 1.471 33.313 31.823 0.033 0.000 0.995 152 V HN 0.738 nan 8.190 nan 0.000 0.424 153 L N 5.483 126.757 121.223 0.085 0.000 2.329 153 L HA 0.698 3.926 4.340 -1.853 0.000 0.279 153 L C -0.263 176.646 176.870 0.066 0.000 1.014 153 L CA -0.209 54.693 54.840 0.103 0.000 0.814 153 L CB 1.555 43.721 42.059 0.178 0.000 1.257 153 L HN 0.696 nan 8.230 nan 0.000 0.424 154 R N 4.380 124.914 120.500 0.056 0.000 2.445 154 R HA 0.654 3.882 4.340 -1.853 0.000 0.308 154 R C -1.665 174.694 176.300 0.099 0.000 0.961 154 R CA -0.563 55.539 56.100 0.004 0.000 0.862 154 R CB 1.092 31.388 30.300 -0.007 0.000 1.144 154 R HN 0.654 nan 8.270 nan 0.000 0.447 155 F N 0.707 120.634 119.950 -0.039 0.000 2.588 155 F HA 0.534 3.950 4.527 -1.852 0.000 0.314 155 F C -1.045 174.726 175.800 -0.049 0.000 1.069 155 F CA -1.291 56.677 58.000 -0.053 0.000 0.931 155 F CB 1.209 40.112 39.000 -0.162 0.000 1.260 155 F HN 0.270 nan 8.300 nan 0.000 0.465 156 K N 1.803 122.246 120.400 0.071 0.000 2.234 156 K HA 0.682 3.890 4.320 -1.853 0.000 0.282 156 K C -0.402 176.170 176.600 -0.047 0.000 1.039 156 K CA -0.631 55.467 56.287 -0.315 0.000 0.928 156 K CB 1.344 33.586 32.500 -0.430 0.000 1.039 156 K HN 0.941 nan 8.250 nan 0.000 0.470 157 A N 3.695 126.411 122.820 -0.174 0.000 3.056 157 A HA 0.083 3.291 4.320 -1.853 0.000 0.274 157 A C 0.885 178.427 177.584 -0.071 0.000 1.661 157 A CA -0.402 51.611 52.037 -0.040 0.000 1.363 157 A CB -0.746 18.211 19.000 -0.070 0.000 1.139 157 A HN 0.895 nan 8.150 nan 0.000 0.598 158 T N -1.608 112.909 114.554 -0.060 0.000 3.113 158 T HA 0.098 3.336 4.350 -1.853 0.000 0.263 158 T C 0.731 175.451 174.700 0.033 0.000 1.143 158 T CA 0.598 62.679 62.100 -0.031 0.000 1.090 158 T CB -0.106 68.747 68.868 -0.025 0.000 0.922 158 T HN 0.549 nan 8.240 nan 0.000 0.521 159 R N 0.544 121.067 120.500 0.038 0.000 2.532 159 R HA 0.693 3.921 4.340 -1.853 0.000 0.297 159 R C -0.858 175.591 176.300 0.247 0.000 0.984 159 R CA -0.664 55.528 56.100 0.154 0.000 0.884 159 R CB 1.947 32.358 30.300 0.186 0.000 1.182 159 R HN 0.255 nan 8.270 nan 0.000 0.442 160 A N 1.722 124.667 122.820 0.209 0.000 2.371 160 A HA 0.809 4.017 4.320 -1.853 0.000 0.257 160 A C 0.316 177.904 177.584 0.006 0.000 1.089 160 A CA 0.405 52.524 52.037 0.136 0.000 0.794 160 A CB 0.763 19.704 19.000 -0.099 0.000 1.029 160 A HN 0.878 nan 8.150 nan 0.000 0.488 161 G N -1.207 107.503 108.800 -0.151 0.000 2.359 161 G HA2 0.584 3.432 3.960 -1.853 0.000 0.314 161 G HA3 0.584 3.432 3.960 -1.853 0.000 0.314 161 G C -0.581 173.969 174.900 -0.583 0.000 1.364 161 G CA -0.110 44.355 45.100 -1.058 0.000 0.978 161 G HN 1.940 nan 8.290 nan 0.000 0.615 162 A N -0.431 121.925 122.820 -0.774 0.000 2.309 162 A HA 0.910 4.118 4.320 -1.853 0.000 0.298 162 A C -0.989 176.336 177.584 -0.431 0.000 1.165 162 A CA -0.223 51.620 52.037 -0.322 0.000 0.821 162 A CB 0.358 19.218 19.000 -0.233 0.000 1.102 162 A HN 1.156 nan 8.150 nan 0.000 0.500 163 F N 1.025 120.923 119.950 -0.086 0.000 2.578 163 F HA 0.427 3.845 4.527 -1.847 0.000 0.311 163 F C 0.193 175.953 175.800 -0.067 0.000 1.094 163 F CA -0.707 57.283 58.000 -0.017 0.000 0.923 163 F CB 2.027 41.058 39.000 0.052 0.000 1.230 163 F HN 0.356 nan 8.300 nan 0.000 0.450 164 V N 2.663 122.611 119.914 0.057 0.000 2.963 164 V HA 0.082 3.090 4.120 -1.853 0.000 0.306 164 V C -0.750 175.209 176.094 -0.224 0.000 1.077 164 V CA -0.103 62.087 62.300 -0.183 0.000 1.124 164 V CB 0.585 32.233 31.823 -0.291 0.000 0.987 164 V HN 0.626 nan 8.190 nan 0.000 0.487 165 Y N 2.592 122.729 120.300 -0.271 0.000 2.462 165 Y HA 0.859 4.299 4.550 -1.850 0.000 0.346 165 Y C -0.507 175.218 175.900 -0.292 0.000 0.976 165 Y CA -1.546 56.257 58.100 -0.494 0.000 1.044 165 Y CB 1.197 39.118 38.460 -0.897 0.000 1.230 165 Y HN 0.858 nan 8.280 nan 0.000 0.455 166 H N 0.224 119.272 119.070 -0.038 0.000 2.990 166 H HA 0.579 4.024 4.556 -1.851 0.000 0.336 166 H C -1.363 174.145 175.328 0.301 0.000 1.306 166 H CA -1.492 54.669 56.048 0.188 0.000 1.118 166 H CB 0.942 30.748 29.762 0.073 0.000 1.856 166 H HN 1.081 nan 8.280 nan 0.000 0.538 167 C N 1.403 121.018 119.300 0.526 0.000 2.604 167 C HA 0.800 4.148 4.460 -1.853 0.000 0.396 167 C C 0.502 175.681 174.990 0.315 0.000 1.282 167 C CA 0.665 59.897 59.018 0.357 0.000 2.292 167 C CB -0.764 27.134 27.740 0.264 0.000 2.633 167 C HN 0.982 nan 8.230 nan 0.000 0.620 168 A N 6.159 129.075 122.820 0.160 0.000 3.200 168 A HA 0.459 3.667 4.320 -1.853 0.000 0.274 168 A C -2.124 175.473 177.584 0.023 0.000 1.220 168 A CA -0.489 51.631 52.037 0.137 0.000 0.904 168 A CB 0.205 19.310 19.000 0.174 0.000 1.415 168 A HN 0.622 nan 8.150 nan 0.000 0.630 169 P HA 0.150 nan 4.420 nan 0.000 0.218 169 P C 0.872 178.140 177.300 -0.054 0.000 1.149 169 P CA 2.003 65.031 63.100 -0.120 0.000 0.817 169 P CB 0.333 31.847 31.700 -0.310 0.000 0.785 170 G N -3.216 105.567 108.800 -0.030 0.000 2.306 170 G HA2 0.384 3.232 3.960 -1.853 0.000 0.340 170 G HA3 0.384 3.232 3.960 -1.853 0.000 0.340 170 G C 0.192 175.099 174.900 0.010 0.000 1.630 170 G CA -0.266 44.833 45.100 -0.001 0.000 0.937 170 G HN 0.358 nan 8.290 nan 0.000 0.693 171 G N 2.255 111.071 108.800 0.027 0.000 2.684 171 G HA2 -0.211 2.637 3.960 -1.853 0.000 0.342 171 G HA3 -0.211 2.637 3.960 -1.853 0.000 0.342 171 G C -0.350 174.588 174.900 0.064 0.000 1.316 171 G CA 1.488 46.611 45.100 0.038 0.000 0.994 171 G HN 1.084 nan 8.290 nan 0.000 0.541 172 P HA 0.014 nan 4.420 nan 0.000 0.222 172 P C 2.180 179.605 177.300 0.209 0.000 1.147 172 P CA 1.825 65.001 63.100 0.128 0.000 0.790 172 P CB -0.025 31.744 31.700 0.114 0.000 0.780 173 M N -1.604 118.085 119.600 0.148 0.000 2.374 173 M HA -0.070 3.298 4.480 -1.853 0.000 0.264 173 M C 1.950 178.368 176.300 0.198 0.000 1.067 173 M CA 1.179 56.612 55.300 0.222 0.000 1.103 173 M CB -1.164 31.427 32.600 -0.016 0.000 1.402 173 M HN 0.037 nan 8.290 nan 0.000 0.444 174 I N 1.058 121.715 120.570 0.145 0.000 2.090 174 I HA -0.231 2.827 4.170 -1.853 0.000 0.236 174 I C -0.311 175.928 176.117 0.204 0.000 1.064 174 I CA 1.671 63.063 61.300 0.155 0.000 1.324 174 I CB -2.197 35.883 38.000 0.134 0.000 1.044 174 I HN 0.145 nan 8.210 nan 0.000 0.399 175 P HA -0.208 nan 4.420 nan 0.000 0.218 175 P C 1.406 178.869 177.300 0.272 0.000 1.149 175 P CA 1.533 64.732 63.100 0.166 0.000 0.817 175 P CB -0.250 31.517 31.700 0.111 0.000 0.785 176 W N 1.062 122.473 121.300 0.185 0.000 2.381 176 W HA -0.118 3.428 4.660 -1.856 0.000 0.301 176 W C 2.460 179.120 176.519 0.235 0.000 1.205 176 W CA 1.489 58.975 57.345 0.235 0.000 1.285 176 W CB -1.244 28.451 29.460 0.390 0.000 1.133 176 W HN 0.059 nan 8.180 nan 0.000 0.521 177 H N -1.135 117.947 119.070 0.021 0.000 2.357 177 H HA -0.134 3.309 4.556 -1.855 0.000 0.301 177 H C 2.201 177.486 175.328 -0.072 0.000 1.082 177 H CA 1.989 57.934 56.048 -0.172 0.000 1.342 177 H CB -0.350 29.396 29.762 -0.026 0.000 1.389 177 H HN -0.027 nan 8.280 nan 0.000 0.511 178 V N 1.333 121.341 119.914 0.156 0.000 2.287 178 V HA -0.207 2.801 4.120 -1.853 0.000 0.248 178 V C 2.656 178.796 176.094 0.076 0.000 1.053 178 V CA 1.755 64.109 62.300 0.091 0.000 1.027 178 V CB -0.494 31.343 31.823 0.022 0.000 0.646 178 V HN 0.389 nan 8.190 nan 0.000 0.447 179 V N -3.027 116.955 119.914 0.115 0.000 3.510 179 V HA 0.107 3.115 4.120 -1.853 0.000 0.270 179 V C 1.559 177.815 176.094 0.270 0.000 1.201 179 V CA 1.452 63.871 62.300 0.200 0.000 1.166 179 V CB -0.104 31.905 31.823 0.310 0.000 0.825 179 V HN 0.404 nan 8.190 nan 0.000 0.484 180 S N 0.433 116.169 115.700 0.060 0.000 2.540 180 S HA 0.533 3.890 4.470 -1.853 0.000 0.218 180 S C 1.512 176.079 174.600 -0.054 0.000 0.977 180 S CA 0.620 58.777 58.200 -0.071 0.000 0.918 180 S CB 0.614 63.572 63.200 -0.403 0.000 0.806 180 S HN 1.234 nan 8.310 nan 0.000 0.496 181 G N 1.470 110.307 108.800 0.062 0.000 2.184 181 G HA2 -0.217 2.631 3.960 -1.853 0.000 0.206 181 G HA3 -0.217 2.631 3.960 -1.853 0.000 0.206 181 G C 0.143 175.057 174.900 0.024 0.000 0.995 181 G CA -0.151 44.995 45.100 0.077 0.000 0.651 181 G HN 0.431 nan 8.290 nan 0.000 0.511 182 M N 1.416 121.004 119.600 -0.021 0.000 3.213 182 M HA 0.608 3.976 4.480 -1.853 0.000 0.275 182 M C 0.279 176.730 176.300 0.252 0.000 1.424 182 M CA 0.952 56.222 55.300 -0.050 0.000 1.561 182 M CB -0.237 32.222 32.600 -0.236 0.000 1.109 182 M HN 0.916 nan 8.290 nan 0.000 0.552 183 A N 1.800 124.802 122.820 0.304 0.000 2.608 183 A HA 0.930 4.138 4.320 -1.853 0.000 0.292 183 A C -0.726 176.833 177.584 -0.042 0.000 1.066 183 A CA -0.267 51.887 52.037 0.195 0.000 0.676 183 A CB 1.056 20.101 19.000 0.075 0.000 1.277 183 A HN 0.687 nan 8.150 nan 0.000 0.413 184 G N -1.518 106.933 108.800 -0.581 0.000 2.650 184 G HA2 0.634 3.482 3.960 -1.853 0.000 0.310 184 G HA3 0.634 3.482 3.960 -1.853 0.000 0.310 184 G C -1.335 172.960 174.900 -1.007 0.000 1.270 184 G CA 0.283 44.899 45.100 -0.806 0.000 0.810 184 G HN 2.130 nan 8.290 nan 0.000 0.493 185 C N -0.219 118.540 119.300 -0.901 0.000 2.880 185 C HA 0.821 4.169 4.460 -1.853 0.000 0.320 185 C C -0.912 173.958 174.990 -0.200 0.000 1.176 185 C CA -0.670 58.020 59.018 -0.546 0.000 1.390 185 C CB 0.397 27.689 27.740 -0.747 0.000 1.846 185 C HN 0.870 nan 8.230 nan 0.000 0.478 186 I N 6.310 126.919 120.570 0.064 0.000 2.433 186 I HA 0.555 3.613 4.170 -1.853 0.000 0.292 186 I C -0.576 175.589 176.117 0.080 0.000 1.001 186 I CA -0.663 60.703 61.300 0.110 0.000 1.119 186 I CB 1.470 39.643 38.000 0.287 0.000 1.289 186 I HN 0.898 nan 8.210 nan 0.000 0.438 187 M N 8.502 128.090 119.600 -0.020 0.000 2.101 187 M HA 0.441 3.809 4.480 -1.853 0.000 0.340 187 M C -1.736 174.595 176.300 0.052 0.000 1.057 187 M CA -0.658 54.655 55.300 0.023 0.000 0.984 187 M CB 1.230 33.786 32.600 -0.074 0.000 1.560 187 M HN 0.397 nan 8.290 nan 0.000 0.435 188 V N 7.120 127.139 119.914 0.175 0.000 2.288 188 V HA 0.308 3.316 4.120 -1.853 0.000 0.266 188 V C 0.014 176.197 176.094 0.148 0.000 1.048 188 V CA -0.562 61.814 62.300 0.126 0.000 0.842 188 V CB 0.483 32.416 31.823 0.184 0.000 1.064 188 V HN 0.832 nan 8.190 nan 0.000 0.472 189 L N 7.247 128.438 121.223 -0.052 0.000 2.380 189 L HA 0.357 3.585 4.340 -1.853 0.000 0.273 189 L C -2.038 174.851 176.870 0.032 0.000 1.138 189 L CA -1.614 53.160 54.840 -0.109 0.000 0.832 189 L CB 1.147 43.031 42.059 -0.292 0.000 1.124 189 L HN 0.359 nan 8.230 nan 0.000 0.454 190 P HA 0.031 nan 4.420 nan 0.000 0.267 190 P C 0.168 177.603 177.300 0.224 0.000 1.200 190 P CA -0.109 63.051 63.100 0.100 0.000 0.772 190 P CB 0.439 32.170 31.700 0.051 0.000 0.855 191 R N 1.346 121.972 120.500 0.210 0.000 2.154 191 R HA -0.188 3.040 4.340 -1.853 0.000 0.248 191 R C 0.433 176.760 176.300 0.045 0.000 1.155 191 R CA 1.640 57.810 56.100 0.118 0.000 0.979 191 R CB -0.526 29.808 30.300 0.058 0.000 0.869 191 R HN 0.539 nan 8.270 nan 0.000 0.452 192 D N -0.380 120.065 120.400 0.075 0.000 2.587 192 D HA 0.207 3.735 4.640 -1.853 0.000 0.233 192 D C 0.173 176.492 176.300 0.031 0.000 1.213 192 D CA 0.530 54.552 54.000 0.036 0.000 0.827 192 D CB 0.386 41.209 40.800 0.039 0.000 1.006 192 D HN 0.371 nan 8.370 nan 0.000 0.490 193 G N -0.040 108.785 108.800 0.042 0.000 2.796 193 G HA2 -0.270 2.578 3.960 -1.853 0.000 0.226 193 G HA3 -0.270 2.578 3.960 -1.853 0.000 0.226 193 G C -0.254 174.617 174.900 -0.047 0.000 1.381 193 G CA -0.698 44.400 45.100 -0.004 0.000 0.867 193 G HN 0.266 nan 8.290 nan 0.000 0.552 194 L N 0.560 121.722 121.223 -0.101 0.000 2.417 194 L HA 0.465 3.693 4.340 -1.853 0.000 0.268 194 L C 0.728 177.632 176.870 0.058 0.000 1.158 194 L CA -0.336 54.440 54.840 -0.106 0.000 0.819 194 L CB 0.739 42.714 42.059 -0.140 0.000 1.112 194 L HN 0.458 nan 8.230 nan 0.000 0.458 195 K N 1.537 122.033 120.400 0.161 0.000 2.328 195 K HA 0.389 3.597 4.320 -1.853 0.000 0.246 195 K C -0.926 175.843 176.600 0.281 0.000 0.955 195 K CA -0.827 55.569 56.287 0.182 0.000 0.817 195 K CB 2.169 34.766 32.500 0.162 0.000 1.208 195 K HN 0.562 nan 8.250 nan 0.000 0.432 196 D N -0.207 120.274 120.400 0.135 0.000 2.511 196 D HA 0.024 3.552 4.640 -1.853 0.000 0.276 196 D C 1.244 177.553 176.300 0.015 0.000 1.220 196 D CA -0.018 54.034 54.000 0.086 0.000 1.077 196 D CB -0.028 40.742 40.800 -0.049 0.000 1.126 196 D HN 0.591 nan 8.370 nan 0.000 0.583 197 H N -0.825 118.237 119.070 -0.012 0.000 2.460 197 H HA -0.075 3.370 4.556 -1.852 0.000 0.297 197 H C 0.186 175.526 175.328 0.020 0.000 1.103 197 H CA 1.356 57.395 56.048 -0.014 0.000 1.292 197 H CB -0.385 29.342 29.762 -0.059 0.000 1.376 197 H HN 0.579 nan 8.280 nan 0.000 0.531 198 E N -0.193 119.806 120.200 -0.335 0.000 2.558 198 E HA 0.300 3.538 4.350 -1.853 0.000 0.205 198 E C 0.783 177.326 176.600 -0.096 0.000 1.006 198 E CA 0.163 56.464 56.400 -0.164 0.000 0.961 198 E CB 0.912 30.500 29.700 -0.187 0.000 1.044 198 E HN 0.638 nan 8.360 nan 0.000 0.465 199 G N 1.943 110.709 108.800 -0.057 0.000 2.176 199 G HA2 -0.303 2.545 3.960 -1.853 0.000 0.253 199 G HA3 -0.303 2.545 3.960 -1.853 0.000 0.253 199 G C 0.078 174.976 174.900 -0.004 0.000 0.979 199 G CA -0.121 44.982 45.100 0.004 0.000 0.641 199 G HN 0.190 nan 8.290 nan 0.000 0.530 200 K N 1.031 121.405 120.400 -0.043 0.000 2.218 200 K HA 0.476 3.684 4.320 -1.853 0.000 0.276 200 K C -2.641 173.960 176.600 0.001 0.000 1.022 200 K CA -1.868 54.402 56.287 -0.029 0.000 0.946 200 K CB 1.050 33.517 32.500 -0.056 0.000 1.000 200 K HN 0.021 nan 8.250 nan 0.000 0.468 201 P HA -0.012 nan 4.420 nan 0.000 0.271 201 P C -0.896 176.414 177.300 0.018 0.000 1.216 201 P CA -0.373 62.736 63.100 0.015 0.000 0.771 201 P CB 0.676 32.375 31.700 -0.002 0.000 0.864 202 V N 1.435 121.374 119.914 0.042 0.000 2.769 202 V HA 0.754 3.762 4.120 -1.853 0.000 0.312 202 V C -0.297 175.813 176.094 0.028 0.000 1.061 202 V CA -1.065 61.267 62.300 0.053 0.000 0.931 202 V CB 2.205 34.098 31.823 0.117 0.000 1.010 202 V HN 0.499 nan 8.190 nan 0.000 0.433 203 R N 2.927 123.430 120.500 0.005 0.000 2.575 203 R HA 0.616 3.844 4.340 -1.853 0.000 0.293 203 R C -1.541 174.740 176.300 -0.031 0.000 0.983 203 R CA -0.670 55.378 56.100 -0.086 0.000 0.887 203 R CB 2.023 32.256 30.300 -0.112 0.000 1.184 203 R HN 0.943 nan 8.270 nan 0.000 0.445 204 Y N 1.258 121.541 120.300 -0.028 0.000 2.352 204 Y HA 0.435 3.874 4.550 -1.851 0.000 0.326 204 Y C -0.031 175.840 175.900 -0.049 0.000 1.166 204 Y CA -0.858 57.220 58.100 -0.037 0.000 1.182 204 Y CB 1.221 39.650 38.460 -0.051 0.000 1.216 204 Y HN 0.516 nan 8.280 nan 0.000 0.474 205 D N 1.086 121.552 120.400 0.109 0.000 2.301 205 D HA 0.058 3.586 4.640 -1.853 0.000 0.206 205 D C -0.223 176.120 176.300 0.073 0.000 0.979 205 D CA 0.972 54.994 54.000 0.037 0.000 0.874 205 D CB 0.439 41.252 40.800 0.023 0.000 0.968 205 D HN 0.659 nan 8.370 nan 0.000 0.510 206 T N 0.124 114.746 114.554 0.114 0.000 2.916 206 T HA 0.390 3.628 4.350 -1.853 0.000 0.305 206 T C -1.034 173.526 174.700 -0.233 0.000 1.119 206 T CA -0.598 61.449 62.100 -0.088 0.000 1.008 206 T CB 3.149 71.835 68.868 -0.304 0.000 1.129 206 T HN -0.211 nan 8.240 nan 0.000 0.480 207 V N 3.124 122.818 119.914 -0.367 0.000 2.604 207 V HA 0.753 3.760 4.120 -1.853 0.000 0.305 207 V C -1.979 173.790 176.094 -0.541 0.000 1.043 207 V CA -0.574 61.404 62.300 -0.536 0.000 0.888 207 V CB 1.217 32.694 31.823 -0.576 0.000 0.995 207 V HN 0.841 nan 8.190 nan 0.000 0.429 208 Y N 5.692 125.813 120.300 -0.298 0.000 2.393 208 Y HA 0.509 3.946 4.550 -1.855 0.000 0.341 208 Y C -0.590 175.235 175.900 -0.125 0.000 0.988 208 Y CA -0.906 57.049 58.100 -0.241 0.000 1.078 208 Y CB 1.808 40.079 38.460 -0.314 0.000 1.203 208 Y HN 0.708 nan 8.280 nan 0.000 0.453 209 Y N 5.083 125.342 120.300 -0.068 0.000 2.404 209 Y HA 0.467 3.903 4.550 -1.857 0.000 0.344 209 Y C -1.099 174.704 175.900 -0.162 0.000 0.970 209 Y CA -2.001 56.037 58.100 -0.104 0.000 1.180 209 Y CB 0.238 38.644 38.460 -0.090 0.000 1.138 209 Y HN 0.374 nan 8.280 nan 0.000 0.510 210 I N 6.536 126.928 120.570 -0.296 0.000 2.306 210 I HA 0.318 3.376 4.170 -1.853 0.000 0.288 210 I C 0.727 176.411 176.117 -0.722 0.000 1.036 210 I CA -0.514 60.402 61.300 -0.640 0.000 1.221 210 I CB 0.608 38.105 38.000 -0.839 0.000 1.385 210 I HN 0.826 nan 8.210 nan 0.000 0.472 211 G N 5.511 113.853 108.800 -0.763 0.000 2.335 211 G HA2 0.415 3.263 3.960 -1.853 0.000 0.314 211 G HA3 0.415 3.263 3.960 -1.853 0.000 0.314 211 G C -0.399 174.402 174.900 -0.165 0.000 1.129 211 G CA -0.395 44.409 45.100 -0.494 0.000 0.912 211 G HN 0.652 nan 8.290 nan 0.000 0.443 212 E N 1.341 121.538 120.200 -0.004 0.000 2.191 212 E HA 0.589 3.827 4.350 -1.853 0.000 0.278 212 E C -0.293 176.337 176.600 0.051 0.000 0.972 212 E CA -0.609 55.894 56.400 0.171 0.000 0.804 212 E CB 1.033 30.963 29.700 0.384 0.000 1.110 212 E HN 0.478 nan 8.360 nan 0.000 0.394 213 S N 3.157 118.843 115.700 -0.023 0.000 2.540 213 S HA 0.352 3.710 4.470 -1.853 0.000 0.275 213 S C -1.178 173.181 174.600 -0.402 0.000 1.123 213 S CA -1.198 56.898 58.200 -0.174 0.000 0.907 213 S CB 1.376 64.507 63.200 -0.116 0.000 1.081 213 S HN 0.529 nan 8.310 nan 0.000 0.476 214 D N 0.775 120.908 120.400 -0.444 0.000 2.175 214 D HA 0.525 4.053 4.640 -1.853 0.000 0.248 214 D C -0.632 175.192 176.300 -0.793 0.000 1.047 214 D CA -0.194 53.516 54.000 -0.485 0.000 0.883 214 D CB 0.532 41.202 40.800 -0.217 0.000 1.180 214 D HN 0.744 nan 8.370 nan 0.000 0.438 215 H N -0.644 118.239 119.070 -0.312 0.000 2.928 215 H HA 0.393 3.840 4.556 -1.848 0.000 0.371 215 H C -1.072 173.925 175.328 -0.552 0.000 1.186 215 H CA -0.816 55.107 56.048 -0.208 0.000 1.134 215 H CB 1.742 31.463 29.762 -0.068 0.000 1.824 215 H HN 0.301 nan 8.280 nan 0.000 0.554 216 Y N 1.381 121.818 120.300 0.228 0.000 2.562 216 Y HA 0.243 3.677 4.550 -1.859 0.000 0.363 216 Y C -0.722 175.302 175.900 0.208 0.000 0.991 216 Y CA -0.651 57.554 58.100 0.176 0.000 1.121 216 Y CB 0.302 38.840 38.460 0.131 0.000 1.159 216 Y HN 0.377 nan 8.280 nan 0.000 0.651 217 I N 5.167 125.906 120.570 0.283 0.000 2.396 217 I HA 0.194 3.252 4.170 -1.853 0.000 0.289 217 I C -2.071 174.303 176.117 0.429 0.000 1.056 217 I CA -3.086 58.397 61.300 0.305 0.000 1.365 217 I CB 0.364 38.425 38.000 0.101 0.000 1.407 217 I HN 0.211 nan 8.210 nan 0.000 0.509 218 P HA 0.358 nan 4.420 nan 0.000 0.278 218 P C -0.836 176.645 177.300 0.302 0.000 1.266 218 P CA -0.695 62.601 63.100 0.327 0.000 0.807 218 P CB 1.354 33.231 31.700 0.294 0.000 1.094 219 K N 0.241 120.732 120.400 0.152 0.000 2.318 219 K HA 0.323 3.531 4.320 -1.853 0.000 0.249 219 K C -0.176 176.432 176.600 0.014 0.000 0.942 219 K CA -0.754 55.547 56.287 0.022 0.000 0.808 219 K CB 1.378 33.808 32.500 -0.117 0.000 1.189 219 K HN 0.409 nan 8.250 nan 0.000 0.428 220 D N 1.594 121.980 120.400 -0.024 0.000 2.369 220 D HA -0.047 3.481 4.640 -1.853 0.000 0.241 220 D C 0.836 177.118 176.300 -0.029 0.000 1.271 220 D CA 0.238 54.223 54.000 -0.025 0.000 0.942 220 D CB 0.780 41.558 40.800 -0.036 0.000 1.129 220 D HN 0.496 nan 8.370 nan 0.000 0.476 221 E N 0.356 120.544 120.200 -0.020 0.000 2.130 221 E HA -0.202 3.036 4.350 -1.853 0.000 0.196 221 E C 1.194 177.775 176.600 -0.033 0.000 0.998 221 E CA 1.320 57.708 56.400 -0.020 0.000 0.806 221 E CB -0.132 29.560 29.700 -0.013 0.000 0.738 221 E HN 0.453 nan 8.360 nan 0.000 0.459 222 D N -1.350 119.026 120.400 -0.040 0.000 2.363 222 D HA 0.030 3.558 4.640 -1.853 0.000 0.226 222 D C 1.194 177.453 176.300 -0.069 0.000 1.020 222 D CA 0.801 54.773 54.000 -0.047 0.000 0.892 222 D CB -0.157 40.619 40.800 -0.041 0.000 0.900 222 D HN 0.213 nan 8.370 nan 0.000 0.531 223 G N -0.996 107.749 108.800 -0.091 0.000 2.157 223 G HA2 -0.243 2.605 3.960 -1.853 0.000 0.248 223 G HA3 -0.243 2.605 3.960 -1.853 0.000 0.248 223 G C 0.289 175.052 174.900 -0.229 0.000 0.979 223 G CA 0.349 45.362 45.100 -0.144 0.000 0.650 223 G HN 0.488 nan 8.290 nan 0.000 0.529 224 T N 0.493 114.940 114.554 -0.179 0.000 2.907 224 T HA 0.549 3.787 4.350 -1.853 0.000 0.284 224 T C 0.101 174.687 174.700 -0.190 0.000 1.004 224 T CA -0.305 61.685 62.100 -0.184 0.000 1.063 224 T CB 0.766 69.597 68.868 -0.062 0.000 0.992 224 T HN 0.183 nan 8.240 nan 0.000 0.483 225 Y N 2.052 122.375 120.300 0.039 0.000 2.597 225 Y HA 0.164 3.602 4.550 -1.854 0.000 0.336 225 Y C 1.031 176.931 175.900 -0.000 0.000 1.216 225 Y CA -0.187 57.946 58.100 0.054 0.000 1.463 225 Y CB 0.021 38.539 38.460 0.098 0.000 1.303 225 Y HN 0.421 nan 8.280 nan 0.000 0.576 226 M N 4.150 123.818 119.600 0.113 0.000 2.250 226 M HA 0.373 3.741 4.480 -1.853 0.000 0.344 226 M C -0.098 176.018 176.300 -0.306 0.000 1.150 226 M CA 0.155 55.342 55.300 -0.189 0.000 1.147 226 M CB 0.833 33.225 32.600 -0.348 0.000 1.498 226 M HN 0.554 nan 8.290 nan 0.000 0.461 227 R N 1.294 121.524 120.500 -0.451 0.000 2.732 227 R HA 0.783 4.011 4.340 -1.853 0.000 0.278 227 R C -1.422 174.483 176.300 -0.658 0.000 0.976 227 R CA -0.544 55.323 56.100 -0.387 0.000 0.963 227 R CB 1.604 31.767 30.300 -0.229 0.000 1.150 227 R HN 0.481 nan 8.270 nan 0.000 0.478 228 F N -1.435 118.534 119.950 0.030 0.000 2.640 228 F HA 0.277 3.692 4.527 -1.854 0.000 0.324 228 F C 0.995 176.808 175.800 0.022 0.000 1.077 228 F CA -0.776 57.249 58.000 0.041 0.000 0.965 228 F CB 2.237 41.284 39.000 0.079 0.000 1.351 228 F HN 0.420 nan 8.300 nan 0.000 0.487 229 S N -0.843 115.002 115.700 0.241 0.000 2.470 229 S HA 0.064 3.422 4.470 -1.853 0.000 0.222 229 S C -0.471 174.201 174.600 0.121 0.000 1.024 229 S CA 0.343 58.618 58.200 0.126 0.000 0.931 229 S CB -0.284 62.972 63.200 0.094 0.000 0.791 229 S HN 0.721 nan 8.310 nan 0.000 0.513 230 D N -1.096 119.399 120.400 0.159 0.000 2.615 230 D HA 0.279 3.807 4.640 -1.853 0.000 0.267 230 D C -2.980 173.407 176.300 0.145 0.000 1.236 230 D CA -1.623 52.450 54.000 0.122 0.000 0.839 230 D CB 0.729 41.587 40.800 0.097 0.000 1.380 230 D HN -0.253 nan 8.370 nan 0.000 0.433 231 P HA -0.061 nan 4.420 nan 0.000 0.215 231 P C 1.416 178.929 177.300 0.355 0.000 1.157 231 P CA 1.506 64.747 63.100 0.235 0.000 0.863 231 P CB 0.125 31.904 31.700 0.131 0.000 0.787 232 S N -0.245 115.641 115.700 0.309 0.000 2.387 232 S HA -0.249 3.109 4.470 -1.853 0.000 0.230 232 S C 1.938 176.546 174.600 0.014 0.000 1.035 232 S CA 1.394 59.681 58.200 0.145 0.000 1.014 232 S CB -0.916 62.337 63.200 0.087 0.000 0.836 232 S HN 0.373 nan 8.310 nan 0.000 0.466 233 E N 0.554 120.760 120.200 0.010 0.000 2.153 233 E HA -0.114 3.124 4.350 -1.853 0.000 0.194 233 E C 1.944 178.337 176.600 -0.345 0.000 0.988 233 E CA 1.044 57.428 56.400 -0.027 0.000 0.811 233 E CB -0.275 29.504 29.700 0.131 0.000 0.746 233 E HN 0.546 nan 8.360 nan 0.000 0.466 234 G N -0.555 107.832 108.800 -0.688 0.000 2.777 234 G HA2 -0.205 2.643 3.960 -1.853 0.000 0.211 234 G HA3 -0.205 2.643 3.960 -1.853 0.000 0.211 234 G C 1.124 175.683 174.900 -0.567 0.000 1.149 234 G CA 0.168 44.373 45.100 -1.491 0.000 0.785 234 G HN 0.314 nan 8.290 nan 0.000 0.536 235 Y N 1.434 121.480 120.300 -0.423 0.000 2.114 235 Y HA -0.183 3.255 4.550 -1.854 0.000 0.282 235 Y C 2.565 178.219 175.900 -0.411 0.000 1.165 235 Y CA 2.361 60.126 58.100 -0.557 0.000 1.148 235 Y CB 0.023 37.955 38.460 -0.880 0.000 0.972 235 Y HN 0.323 nan 8.280 nan 0.000 0.504 236 E N -0.422 119.564 120.200 -0.356 0.000 2.107 236 E HA -0.171 3.067 4.350 -1.853 0.000 0.191 236 E C 1.772 178.210 176.600 -0.270 0.000 0.982 236 E CA 1.208 57.400 56.400 -0.346 0.000 0.809 236 E CB -0.029 29.596 29.700 -0.125 0.000 0.756 236 E HN 0.576 nan 8.360 nan 0.000 0.459 237 D N 0.192 120.492 120.400 -0.166 0.000 2.194 237 D HA -0.119 3.409 4.640 -1.853 0.000 0.204 237 D C 1.907 178.189 176.300 -0.030 0.000 0.964 237 D CA 0.626 54.607 54.000 -0.031 0.000 0.846 237 D CB -0.036 40.852 40.800 0.146 0.000 0.962 237 D HN 0.201 nan 8.370 nan 0.000 0.490 238 M N 0.924 120.465 119.600 -0.098 0.000 2.117 238 M HA -0.157 3.211 4.480 -1.853 0.000 0.262 238 M C 2.106 178.344 176.300 -0.104 0.000 1.065 238 M CA 1.101 56.399 55.300 -0.004 0.000 1.114 238 M CB 0.036 32.676 32.600 0.068 0.000 1.361 238 M HN -0.203 nan 8.290 nan 0.000 0.408 239 V N 1.014 120.722 119.914 -0.343 0.000 2.324 239 V HA -0.331 2.677 4.120 -1.853 0.000 0.250 239 V C 2.652 178.635 176.094 -0.185 0.000 1.060 239 V CA 2.126 64.210 62.300 -0.360 0.000 1.042 239 V CB -1.411 30.052 31.823 -0.600 0.000 0.650 239 V HN 0.686 nan 8.190 nan 0.000 0.450 240 A N -0.515 122.229 122.820 -0.126 0.000 1.898 240 A HA -0.134 3.074 4.320 -1.853 0.000 0.216 240 A C 2.352 179.931 177.584 -0.009 0.000 1.181 240 A CA 1.974 53.976 52.037 -0.057 0.000 0.620 240 A CB -0.569 18.413 19.000 -0.030 0.000 0.819 240 A HN 0.366 nan 8.150 nan 0.000 0.442 241 V N 0.053 119.991 119.914 0.039 0.000 2.295 241 V HA -0.340 2.667 4.120 -1.853 0.000 0.246 241 V C 2.618 178.777 176.094 0.107 0.000 1.049 241 V CA 2.266 64.646 62.300 0.132 0.000 1.024 241 V CB -0.929 31.038 31.823 0.241 0.000 0.648 241 V HN 0.572 nan 8.190 nan 0.000 0.447 242 M N 0.030 119.588 119.600 -0.071 0.000 2.108 242 M HA -0.258 3.110 4.480 -1.853 0.000 0.257 242 M C 1.942 178.103 176.300 -0.231 0.000 1.071 242 M CA 2.036 57.080 55.300 -0.427 0.000 1.093 242 M CB -0.764 31.592 32.600 -0.406 0.000 1.345 242 M HN 0.300 nan 8.290 nan 0.000 0.403 243 D N -0.104 120.224 120.400 -0.120 0.000 2.218 243 D HA -0.114 3.414 4.640 -1.853 0.000 0.204 243 D C 2.084 178.367 176.300 -0.028 0.000 0.976 243 D CA 1.889 55.847 54.000 -0.070 0.000 0.853 243 D CB -0.350 40.418 40.800 -0.054 0.000 0.939 243 D HN 0.502 nan 8.370 nan 0.000 0.481 244 T N -1.829 112.729 114.554 0.006 0.000 3.118 244 T HA 0.021 3.259 4.350 -1.853 0.000 0.260 244 T C 1.601 176.338 174.700 0.061 0.000 1.139 244 T CA 0.044 62.167 62.100 0.038 0.000 1.085 244 T CB -0.169 68.737 68.868 0.064 0.000 0.934 244 T HN 0.249 nan 8.240 nan 0.000 0.518 245 L N -1.010 120.250 121.223 0.061 0.000 4.555 245 L HA -0.150 3.078 4.340 -1.853 0.000 0.431 245 L C -0.205 176.802 176.870 0.228 0.000 1.136 245 L CA 0.359 55.268 54.840 0.116 0.000 0.972 245 L CB -1.921 40.173 42.059 0.058 0.000 1.999 245 L HN 0.452 nan 8.230 nan 0.000 0.900 246 I N 0.808 121.524 120.570 0.244 0.000 2.307 246 I HA 0.322 3.380 4.170 -1.853 0.000 0.289 246 I C -1.876 174.327 176.117 0.143 0.000 1.021 246 I CA -1.798 59.597 61.300 0.160 0.000 1.224 246 I CB 0.980 39.032 38.000 0.086 0.000 1.376 246 I HN -0.246 nan 8.210 nan 0.000 0.470 247 P HA 0.058 nan 4.420 nan 0.000 0.269 247 P C 0.595 177.719 177.300 -0.294 0.000 1.209 247 P CA -0.142 62.632 63.100 -0.543 0.000 0.776 247 P CB 0.873 32.289 31.700 -0.474 0.000 0.876 248 S N 1.228 116.754 115.700 -0.290 0.000 2.425 248 S HA -0.007 3.351 4.470 -1.853 0.000 0.225 248 S C 0.274 174.465 174.600 -0.681 0.000 1.024 248 S CA 0.725 58.756 58.200 -0.281 0.000 0.951 248 S CB -0.665 62.495 63.200 -0.066 0.000 0.796 248 S HN 0.542 nan 8.310 nan 0.000 0.498 249 H N -0.556 118.394 119.070 -0.199 0.000 2.895 249 H HA 0.746 4.190 4.556 -1.854 0.000 0.373 249 H C -1.226 173.990 175.328 -0.186 0.000 1.174 249 H CA -0.820 55.129 56.048 -0.166 0.000 1.144 249 H CB 1.625 31.303 29.762 -0.140 0.000 1.793 249 H HN 0.131 nan 8.280 nan 0.000 0.551 250 I N 2.365 122.890 120.570 -0.074 0.000 2.563 250 I HA 0.344 3.402 4.170 -1.853 0.000 0.285 250 I C -1.053 174.943 176.117 -0.202 0.000 1.123 250 I CA -0.855 60.351 61.300 -0.156 0.000 1.059 250 I CB 1.601 39.489 38.000 -0.187 0.000 1.229 250 I HN 0.386 nan 8.210 nan 0.000 0.442 251 V N 1.837 121.655 119.914 -0.160 0.000 2.962 251 V HA 0.657 3.665 4.120 -1.853 0.000 0.313 251 V C -1.128 174.889 176.094 -0.128 0.000 1.099 251 V CA -0.707 61.484 62.300 -0.181 0.000 0.971 251 V CB 2.354 34.151 31.823 -0.043 0.000 1.028 251 V HN 0.340 nan 8.190 nan 0.000 0.430 252 F N 2.035 121.929 119.950 -0.093 0.000 2.421 252 F HA 0.553 3.963 4.527 -1.862 0.000 0.337 252 F C 1.316 177.019 175.800 -0.160 0.000 1.105 252 F CA -0.635 57.273 58.000 -0.153 0.000 1.049 252 F CB 0.599 39.502 39.000 -0.162 0.000 1.139 252 F HN 0.952 nan 8.300 nan 0.000 0.479 253 N N 1.752 120.447 118.700 -0.008 0.000 2.710 253 N HA -0.244 3.383 4.740 -1.853 0.000 0.249 253 N C 0.966 176.449 175.510 -0.046 0.000 1.059 253 N CA 0.737 53.736 53.050 -0.085 0.000 0.720 253 N CB -0.685 37.736 38.487 -0.109 0.000 0.983 253 N HN 1.162 nan 8.380 nan 0.000 0.544 254 G N -2.140 106.647 108.800 -0.021 0.000 2.176 254 G HA2 0.028 2.876 3.960 -1.853 0.000 0.253 254 G HA3 0.028 2.876 3.960 -1.853 0.000 0.253 254 G C -0.048 174.800 174.900 -0.087 0.000 0.979 254 G CA 0.610 45.686 45.100 -0.039 0.000 0.641 254 G HN 1.406 nan 8.290 nan 0.000 0.530 255 A N -1.451 121.321 122.820 -0.081 0.000 2.590 255 A HA 0.744 3.952 4.320 -1.853 0.000 0.294 255 A C -0.143 177.378 177.584 -0.107 0.000 1.046 255 A CA 0.089 52.052 52.037 -0.123 0.000 0.684 255 A CB 0.859 19.786 19.000 -0.123 0.000 1.279 255 A HN 1.510 nan 8.150 nan 0.000 0.415 256 V N 1.399 121.240 119.914 -0.122 0.000 2.788 256 V HA 0.371 3.379 4.120 -1.853 0.000 0.307 256 V C 1.842 177.877 176.094 -0.098 0.000 1.069 256 V CA 1.845 64.082 62.300 -0.106 0.000 1.173 256 V CB 0.652 32.425 31.823 -0.084 0.000 0.925 256 V HN 2.526 nan 8.190 nan 0.000 0.492 257 G N 3.416 112.155 108.800 -0.103 0.000 2.200 257 G HA2 -0.308 2.540 3.960 -1.853 0.000 0.267 257 G HA3 -0.308 2.540 3.960 -1.853 0.000 0.267 257 G C 1.056 175.907 174.900 -0.081 0.000 0.993 257 G CA 0.814 45.853 45.100 -0.103 0.000 0.701 257 G HN 1.471 nan 8.290 nan 0.000 0.524 258 A N -0.698 122.082 122.820 -0.066 0.000 1.972 258 A HA 0.271 3.479 4.320 -1.853 0.000 0.219 258 A C 2.025 179.577 177.584 -0.054 0.000 1.169 258 A CA 1.604 53.610 52.037 -0.052 0.000 0.635 258 A CB -0.112 18.859 19.000 -0.047 0.000 0.810 258 A HN 0.862 nan 8.150 nan 0.000 0.446 259 L N 0.414 121.601 121.223 -0.060 0.000 2.872 259 L HA 0.158 3.386 4.340 -1.853 0.000 0.245 259 L C 0.779 177.593 176.870 -0.094 0.000 1.211 259 L CA 0.138 54.928 54.840 -0.085 0.000 1.013 259 L CB -0.164 41.835 42.059 -0.100 0.000 1.326 259 L HN 0.494 nan 8.230 nan 0.000 0.525 260 T N -4.212 110.275 114.554 -0.111 0.000 2.870 260 T HA 0.745 3.983 4.350 -1.853 0.000 0.277 260 T C 0.991 175.692 174.700 0.002 0.000 1.000 260 T CA 0.130 62.165 62.100 -0.109 0.000 0.982 260 T CB 2.210 70.891 68.868 -0.313 0.000 1.249 260 T HN 0.229 nan 8.240 nan 0.000 0.589 261 G N 1.152 109.995 108.800 0.072 0.000 2.672 261 G HA2 -0.444 2.404 3.960 -1.853 0.000 0.324 261 G HA3 -0.444 2.404 3.960 -1.853 0.000 0.324 261 G C 0.902 175.834 174.900 0.053 0.000 1.286 261 G CA 1.283 46.421 45.100 0.064 0.000 1.004 261 G HN 1.346 nan 8.290 nan 0.000 0.548 262 E N 1.122 121.347 120.200 0.040 0.000 2.219 262 E HA -0.008 3.230 4.350 -1.853 0.000 0.198 262 E C 2.293 178.925 176.600 0.053 0.000 0.998 262 E CA 1.790 58.217 56.400 0.045 0.000 0.818 262 E CB -0.830 28.893 29.700 0.039 0.000 0.741 262 E HN 0.844 nan 8.360 nan 0.000 0.477 263 G N 0.553 109.373 108.800 0.033 0.000 2.985 263 G HA2 0.234 3.082 3.960 -1.853 0.000 0.209 263 G HA3 0.234 3.082 3.960 -1.853 0.000 0.209 263 G C 0.473 175.364 174.900 -0.016 0.000 1.165 263 G CA 0.156 45.267 45.100 0.018 0.000 0.776 263 G HN 0.409 nan 8.290 nan 0.000 0.541 264 A N 0.471 123.300 122.820 0.015 0.000 2.511 264 A HA 0.492 3.700 4.320 -1.853 0.000 0.242 264 A C 0.571 178.131 177.584 -0.040 0.000 1.069 264 A CA -0.177 51.870 52.037 0.017 0.000 0.763 264 A CB 0.230 19.287 19.000 0.096 0.000 1.001 264 A HN 0.294 nan 8.150 nan 0.000 0.498 265 L N 1.661 122.801 121.223 -0.139 0.000 2.472 265 L HA 0.322 3.550 4.340 -1.853 0.000 0.260 265 L C 0.638 177.453 176.870 -0.091 0.000 1.209 265 L CA 0.196 54.839 54.840 -0.329 0.000 0.817 265 L CB 0.340 42.036 42.059 -0.606 0.000 1.106 265 L HN 0.698 nan 8.230 nan 0.000 0.479 266 K N 0.607 121.024 120.400 0.028 0.000 2.464 266 K HA 0.816 4.024 4.320 -1.853 0.000 0.253 266 K C -1.191 175.476 176.600 0.111 0.000 0.933 266 K CA -0.551 55.788 56.287 0.087 0.000 0.801 266 K CB 2.515 35.090 32.500 0.126 0.000 1.271 266 K HN 0.725 nan 8.250 nan 0.000 0.430 267 A N 2.052 124.853 122.820 -0.033 0.000 2.515 267 A HA 0.687 3.895 4.320 -1.853 0.000 0.299 267 A C -1.718 175.814 177.584 -0.086 0.000 1.179 267 A CA -0.868 51.129 52.037 -0.066 0.000 0.656 267 A CB 1.410 20.306 19.000 -0.174 0.000 1.306 267 A HN 0.581 nan 8.150 nan 0.000 0.459 268 K N 0.099 120.476 120.400 -0.038 0.000 2.426 268 K HA 0.585 3.793 4.320 -1.853 0.000 0.251 268 K C -1.043 175.589 176.600 0.053 0.000 0.941 268 K CA -0.933 55.359 56.287 0.009 0.000 0.808 268 K CB 2.371 34.892 32.500 0.035 0.000 1.265 268 K HN 0.410 nan 8.250 nan 0.000 0.432 269 V N 2.023 121.989 119.914 0.087 0.000 2.681 269 V HA -0.047 2.961 4.120 -1.853 0.000 0.306 269 V C 1.436 177.585 176.094 0.091 0.000 1.077 269 V CA 2.213 64.588 62.300 0.125 0.000 1.224 269 V CB 0.054 31.947 31.823 0.115 0.000 0.879 269 V HN 1.183 nan 8.190 nan 0.000 0.494 270 G N 3.832 112.685 108.800 0.089 0.000 2.234 270 G HA2 -0.193 2.654 3.960 -1.853 0.000 0.235 270 G HA3 -0.193 2.654 3.960 -1.853 0.000 0.235 270 G C -0.047 174.886 174.900 0.056 0.000 0.997 270 G CA 0.029 45.157 45.100 0.046 0.000 0.623 270 G HN 0.689 nan 8.290 nan 0.000 0.514 271 D N 1.085 121.548 120.400 0.105 0.000 2.425 271 D HA 0.333 3.861 4.640 -1.853 0.000 0.247 271 D C 0.318 176.696 176.300 0.130 0.000 1.147 271 D CA 0.081 54.151 54.000 0.117 0.000 0.879 271 D CB 0.640 41.524 40.800 0.140 0.000 1.179 271 D HN 0.218 nan 8.370 nan 0.000 0.456 272 N N 1.761 120.507 118.700 0.077 0.000 2.420 272 N HA 0.184 3.812 4.740 -1.853 0.000 0.249 272 N C -1.342 174.229 175.510 0.102 0.000 1.033 272 N CA -0.298 52.792 53.050 0.068 0.000 0.944 272 N CB 0.633 39.156 38.487 0.060 0.000 1.113 272 N HN 0.000 nan 8.380 nan 0.000 0.502 273 V N 3.849 123.820 119.914 0.095 0.000 2.435 273 V HA 0.397 3.405 4.120 -1.853 0.000 0.290 273 V C -0.107 175.885 176.094 -0.170 0.000 1.030 273 V CA -0.972 61.286 62.300 -0.070 0.000 0.881 273 V CB 1.513 33.291 31.823 -0.075 0.000 0.983 273 V HN 0.458 nan 8.190 nan 0.000 0.445 274 L N 5.334 126.353 121.223 -0.339 0.000 2.275 274 L HA 0.578 3.805 4.340 -1.853 0.000 0.288 274 L C -0.918 175.729 176.870 -0.372 0.000 1.046 274 L CA 0.273 54.936 54.840 -0.296 0.000 0.805 274 L CB 0.707 42.398 42.059 -0.612 0.000 1.193 274 L HN 0.487 nan 8.230 nan 0.000 0.426 275 F N 5.448 125.447 119.950 0.082 0.000 2.293 275 F HA 0.390 3.805 4.527 -1.852 0.000 0.370 275 F C -0.016 175.879 175.800 0.159 0.000 1.090 275 F CA -0.721 57.343 58.000 0.106 0.000 1.133 275 F CB 1.126 40.252 39.000 0.209 0.000 1.360 275 F HN 0.105 nan 8.300 nan 0.000 0.489 276 V N 3.131 123.178 119.914 0.222 0.000 2.461 276 V HA 0.186 3.193 4.120 -1.853 0.000 0.275 276 V C -0.446 175.857 176.094 0.348 0.000 1.047 276 V CA -0.517 61.927 62.300 0.241 0.000 0.955 276 V CB 0.946 32.831 31.823 0.104 0.000 0.988 276 V HN 0.683 nan 8.190 nan 0.000 0.471 277 H N 3.179 122.398 119.070 0.248 0.000 2.823 277 H HA 0.574 4.028 4.556 -1.837 0.000 0.332 277 H C -0.133 175.301 175.328 0.177 0.000 0.980 277 H CA -0.313 55.856 56.048 0.201 0.000 1.286 277 H CB 1.338 31.258 29.762 0.262 0.000 1.541 277 H HN 0.768 nan 8.280 nan 0.000 0.521 278 S N 4.647 120.574 115.700 0.379 0.000 2.549 278 S HA 0.409 3.767 4.470 -1.853 0.000 0.297 278 S C -0.633 174.111 174.600 0.241 0.000 1.115 278 S CA -0.912 57.453 58.200 0.276 0.000 1.059 278 S CB 2.214 65.570 63.200 0.260 0.000 1.046 278 S HN 0.670 nan 8.310 nan 0.000 0.506 279 Q N 1.621 121.499 119.800 0.130 0.000 2.374 279 Q HA 0.339 3.567 4.340 -1.853 0.000 0.250 279 Q C -2.446 173.561 176.000 0.012 0.000 0.918 279 Q CA -1.771 54.074 55.803 0.071 0.000 0.778 279 Q CB 2.408 31.178 28.738 0.054 0.000 1.328 279 Q HN 0.583 nan 8.270 nan 0.000 0.445 280 P HA -0.036 nan 4.420 nan 0.000 0.233 280 P C 0.440 177.691 177.300 -0.081 0.000 1.167 280 P CA 0.925 63.984 63.100 -0.068 0.000 0.770 280 P CB 0.679 32.322 31.700 -0.097 0.000 0.837 281 N N -1.334 117.342 118.700 -0.040 0.000 2.028 281 N HA 0.064 3.692 4.740 -1.853 0.000 0.230 281 N C 0.163 175.677 175.510 0.007 0.000 1.354 281 N CA -0.092 52.946 53.050 -0.020 0.000 0.855 281 N CB 1.577 40.065 38.487 0.002 0.000 1.111 281 N HN -0.038 nan 8.380 nan 0.000 0.480 282 R N 0.689 121.187 120.500 -0.003 0.000 2.680 282 R HA 0.203 3.431 4.340 -1.853 0.000 0.269 282 R C -1.671 174.600 176.300 -0.050 0.000 1.026 282 R CA -0.537 55.565 56.100 0.002 0.000 0.889 282 R CB 1.435 31.750 30.300 0.025 0.000 1.241 282 R HN -0.071 nan 8.270 nan 0.000 0.463 283 D N 0.896 121.256 120.400 -0.065 0.000 2.382 283 D HA 0.165 3.693 4.640 -1.853 0.000 0.240 283 D C -0.442 175.733 176.300 -0.209 0.000 1.146 283 D CA 0.409 54.268 54.000 -0.235 0.000 0.897 283 D CB 1.670 42.394 40.800 -0.126 0.000 1.197 283 D HN 0.341 nan 8.370 nan 0.000 0.432 284 S N -0.143 115.336 115.700 -0.368 0.000 2.627 284 S HA 0.608 3.965 4.470 -1.853 0.000 0.283 284 S C -1.136 173.315 174.600 -0.247 0.000 1.127 284 S CA -1.002 57.075 58.200 -0.206 0.000 0.863 284 S CB 1.222 64.372 63.200 -0.084 0.000 1.121 284 S HN 0.492 nan 8.310 nan 0.000 0.479 285 R N 1.614 122.039 120.500 -0.125 0.000 2.629 285 R HA 0.390 3.618 4.340 -1.853 0.000 0.277 285 R C -3.102 173.006 176.300 -0.320 0.000 1.637 285 R CA -1.724 54.318 56.100 -0.096 0.000 1.663 285 R CB 0.531 30.878 30.300 0.078 0.000 1.228 285 R HN 0.323 nan 8.270 nan 0.000 0.632 286 P HA 0.015 nan 4.420 nan 0.000 0.268 286 P C -0.952 175.571 177.300 -1.294 0.000 1.205 286 P CA 0.219 62.746 63.100 -0.955 0.000 0.771 286 P CB 0.599 31.660 31.700 -1.065 0.000 0.858 287 H N 1.717 120.121 119.070 -1.111 0.000 2.954 287 H HA 0.546 3.988 4.556 -1.856 0.000 0.361 287 H C -1.789 173.163 175.328 -0.628 0.000 1.122 287 H CA -0.906 54.653 56.048 -0.815 0.000 1.217 287 H CB 1.054 30.628 29.762 -0.313 0.000 1.776 287 H HN 0.176 nan 8.280 nan 0.000 0.533 288 L N 6.342 126.982 121.223 -0.971 0.000 2.264 288 L HA 0.430 3.658 4.340 -1.853 0.000 0.287 288 L C -0.948 175.526 176.870 -0.660 0.000 1.039 288 L CA -0.250 54.236 54.840 -0.589 0.000 0.829 288 L CB 0.143 41.975 42.059 -0.377 0.000 1.211 288 L HN 0.648 nan 8.230 nan 0.000 0.427 289 I N 6.238 126.646 120.570 -0.270 0.000 2.517 289 I HA 0.244 3.302 4.170 -1.853 0.000 0.285 289 I C 1.405 177.527 176.117 0.007 0.000 1.106 289 I CA 0.784 62.053 61.300 -0.052 0.000 1.402 289 I CB 0.370 38.434 38.000 0.107 0.000 1.399 289 I HN 0.920 nan 8.210 nan 0.000 0.535 290 G N 4.217 113.006 108.800 -0.017 0.000 2.195 290 G HA2 -0.169 2.679 3.960 -1.853 0.000 0.246 290 G HA3 -0.169 2.679 3.960 -1.853 0.000 0.246 290 G C 0.298 175.310 174.900 0.186 0.000 0.984 290 G CA -0.134 44.979 45.100 0.021 0.000 0.633 290 G HN 1.010 nan 8.290 nan 0.000 0.525 291 G N -1.559 107.201 108.800 -0.067 0.000 3.135 291 G HA2 0.779 3.627 3.960 -1.853 0.000 0.278 291 G HA3 0.779 3.627 3.960 -1.853 0.000 0.278 291 G C -1.054 173.402 174.900 -0.741 0.000 1.302 291 G CA -0.199 44.684 45.100 -0.361 0.000 0.880 291 G HN 0.613 nan 8.290 nan 0.000 0.574 292 H N -2.421 116.193 119.070 -0.761 0.000 2.960 292 H HA 0.569 4.012 4.556 -1.854 0.000 0.323 292 H C 0.086 175.244 175.328 -0.283 0.000 1.326 292 H CA -0.054 55.835 56.048 -0.265 0.000 1.124 292 H CB 1.659 31.398 29.762 -0.039 0.000 1.853 292 H HN 0.801 nan 8.280 nan 0.000 0.536 293 G N 0.244 109.029 108.800 -0.026 0.000 2.356 293 G HA2 0.155 3.003 3.960 -1.853 0.000 0.312 293 G HA3 0.155 3.003 3.960 -1.853 0.000 0.312 293 G C -0.174 174.652 174.900 -0.123 0.000 1.096 293 G CA -0.356 44.535 45.100 -0.348 0.000 0.950 293 G HN 0.572 nan 8.290 nan 0.000 0.428 294 D N 1.653 122.063 120.400 0.016 0.000 2.084 294 D HA -0.043 3.485 4.640 -1.853 0.000 0.196 294 D C 0.948 177.169 176.300 -0.132 0.000 0.985 294 D CA 1.235 55.233 54.000 -0.004 0.000 0.826 294 D CB 0.194 41.023 40.800 0.047 0.000 0.978 294 D HN 0.286 nan 8.370 nan 0.000 0.456 295 L N 0.483 121.596 121.223 -0.185 0.000 2.381 295 L HA 0.439 3.667 4.340 -1.853 0.000 0.274 295 L C -1.057 175.527 176.870 -0.477 0.000 0.988 295 L CA -0.699 53.921 54.840 -0.366 0.000 0.824 295 L CB 3.007 44.834 42.059 -0.386 0.000 1.263 295 L HN -0.342 nan 8.230 nan 0.000 0.410 296 V N 1.211 120.775 119.914 -0.584 0.000 2.531 296 V HA 0.379 3.387 4.120 -1.853 0.000 0.301 296 V C -0.963 174.875 176.094 -0.427 0.000 1.034 296 V CA -0.495 61.505 62.300 -0.500 0.000 0.865 296 V CB 2.312 33.766 31.823 -0.615 0.000 0.995 296 V HN 0.669 nan 8.190 nan 0.000 0.424 297 W N 4.273 125.533 121.300 -0.067 0.000 2.296 297 W HA 0.311 3.855 4.660 -1.860 0.000 0.333 297 W C 1.208 177.707 176.519 -0.033 0.000 0.931 297 W CA -0.397 56.934 57.345 -0.023 0.000 1.538 297 W CB 1.001 30.462 29.460 0.002 0.000 1.417 297 W HN 0.960 nan 8.180 nan 0.000 0.380 298 E N -0.338 119.945 120.200 0.138 0.000 2.208 298 E HA -0.169 3.069 4.350 -1.853 0.000 0.193 298 E C 1.676 178.358 176.600 0.136 0.000 0.988 298 E CA 1.731 58.243 56.400 0.185 0.000 0.828 298 E CB -0.203 29.650 29.700 0.254 0.000 0.763 298 E HN 0.170 nan 8.360 nan 0.000 0.478 299 T N -3.122 111.495 114.554 0.104 0.000 3.113 299 T HA 0.277 3.515 4.350 -1.853 0.000 0.256 299 T C 1.576 176.233 174.700 -0.071 0.000 1.131 299 T CA 0.329 62.448 62.100 0.031 0.000 1.074 299 T CB 0.229 69.119 68.868 0.036 0.000 0.944 299 T HN 0.477 nan 8.240 nan 0.000 0.516 300 G N 1.314 110.082 108.800 -0.053 0.000 2.157 300 G HA2 -0.189 2.659 3.960 -1.853 0.000 0.248 300 G HA3 -0.189 2.659 3.960 -1.853 0.000 0.248 300 G C -0.161 174.315 174.900 -0.707 0.000 0.979 300 G CA -0.122 44.804 45.100 -0.291 0.000 0.650 300 G HN 0.582 nan 8.290 nan 0.000 0.529 301 K N 0.242 120.340 120.400 -0.504 0.000 2.425 301 K HA 0.569 3.777 4.320 -1.853 0.000 0.259 301 K C 0.441 176.772 176.600 -0.450 0.000 0.978 301 K CA -1.177 54.746 56.287 -0.607 0.000 0.883 301 K CB 0.848 33.169 32.500 -0.300 0.000 1.110 301 K HN -0.002 nan 8.250 nan 0.000 0.436 302 F N 0.817 120.480 119.950 -0.478 0.000 2.451 302 F HA -0.068 3.349 4.527 -1.849 0.000 0.299 302 F C 1.827 177.516 175.800 -0.184 0.000 1.101 302 F CA 0.837 58.434 58.000 -0.672 0.000 1.436 302 F CB -0.304 38.236 39.000 -0.765 0.000 1.074 302 F HN 0.543 nan 8.300 nan 0.000 0.553 303 H N -0.492 118.673 119.070 0.159 0.000 2.555 303 H HA 0.095 3.538 4.556 -1.854 0.000 0.269 303 H C 0.379 175.837 175.328 0.217 0.000 0.988 303 H CA 0.204 56.362 56.048 0.184 0.000 1.178 303 H CB -0.420 29.418 29.762 0.126 0.000 1.373 303 H HN 0.145 nan 8.280 nan 0.000 0.588 304 N N 0.911 119.820 118.700 0.349 0.000 2.530 304 N HA 0.207 3.835 4.740 -1.853 0.000 0.277 304 N C 0.106 175.831 175.510 0.359 0.000 1.168 304 N CA -0.143 53.091 53.050 0.307 0.000 0.979 304 N CB 1.289 39.923 38.487 0.245 0.000 1.141 304 N HN 0.110 nan 8.380 nan 0.000 0.459 305 A N 2.873 125.816 122.820 0.204 0.000 2.548 305 A HA 0.195 3.403 4.320 -1.853 0.000 0.247 305 A C -1.796 175.764 177.584 -0.041 0.000 1.067 305 A CA -0.645 51.464 52.037 0.120 0.000 0.757 305 A CB -0.473 18.576 19.000 0.081 0.000 0.996 305 A HN 0.451 nan 8.150 nan 0.000 0.504 306 P HA 0.287 nan 4.420 nan 0.000 0.276 306 P C -0.411 176.667 177.300 -0.371 0.000 1.244 306 P CA -0.355 62.344 63.100 -0.668 0.000 0.801 306 P CB 0.950 31.862 31.700 -1.313 0.000 1.006 307 E N 0.793 120.788 120.200 -0.342 0.000 2.283 307 E HA 0.383 3.621 4.350 -1.853 0.000 0.267 307 E C -0.021 176.399 176.600 -0.300 0.000 1.045 307 E CA -0.620 55.626 56.400 -0.256 0.000 0.884 307 E CB 1.173 30.776 29.700 -0.162 0.000 1.106 307 E HN 0.322 nan 8.360 nan 0.000 0.408 308 R N 0.895 121.239 120.500 -0.258 0.000 2.803 308 R HA 0.210 3.438 4.340 -1.853 0.000 0.276 308 R C -0.961 175.247 176.300 -0.154 0.000 0.978 308 R CA -0.672 55.279 56.100 -0.248 0.000 0.939 308 R CB 1.196 31.303 30.300 -0.322 0.000 1.179 308 R HN 0.493 nan 8.270 nan 0.000 0.472 309 D N 0.721 121.053 120.400 -0.113 0.000 2.981 309 D HA -0.165 3.363 4.640 -1.853 0.000 0.223 309 D C -0.501 175.825 176.300 0.044 0.000 1.151 309 D CA 0.881 54.845 54.000 -0.060 0.000 0.827 309 D CB -0.888 39.855 40.800 -0.096 0.000 1.101 309 D HN 0.339 nan 8.370 nan 0.000 0.426 310 L N 0.873 122.124 121.223 0.046 0.000 2.417 310 L HA 0.107 3.335 4.340 -1.853 0.000 0.268 310 L C 2.211 179.258 176.870 0.295 0.000 1.158 310 L CA 0.100 55.025 54.840 0.142 0.000 0.819 310 L CB 0.786 42.919 42.059 0.124 0.000 1.112 310 L HN 0.118 nan 8.230 nan 0.000 0.458 311 E N 0.575 120.938 120.200 0.271 0.000 2.102 311 E HA 0.020 3.258 4.350 -1.853 0.000 0.190 311 E C -0.226 176.581 176.600 0.346 0.000 0.971 311 E CA 0.497 57.049 56.400 0.253 0.000 0.821 311 E CB 0.321 30.098 29.700 0.128 0.000 0.777 311 E HN 0.588 nan 8.360 nan 0.000 0.460 312 T N 0.450 115.160 114.554 0.260 0.000 2.956 312 T HA 0.444 3.682 4.350 -1.853 0.000 0.312 312 T C -1.550 173.308 174.700 0.263 0.000 1.151 312 T CA -0.866 61.264 62.100 0.050 0.000 1.024 312 T CB 1.189 69.978 68.868 -0.132 0.000 1.140 312 T HN 0.406 nan 8.240 nan 0.000 0.473 313 W N 1.148 122.458 121.300 0.016 0.000 3.164 313 W HA 0.883 4.425 4.660 -1.865 0.000 0.325 313 W C -1.615 174.976 176.519 0.121 0.000 1.228 313 W CA -1.413 55.963 57.345 0.052 0.000 1.024 313 W CB 0.697 30.177 29.460 0.034 0.000 1.534 313 W HN 0.501 nan 8.180 nan 0.000 0.614 314 F N 2.638 122.676 119.950 0.145 0.000 2.499 314 F HA 0.507 5.032 4.527 -0.004 0.000 0.333 314 F C -0.986 174.833 175.800 0.033 0.000 1.138 314 F CA -1.770 56.240 58.000 0.017 0.000 0.945 314 F CB 0.848 39.861 39.000 0.021 0.000 1.181 314 F HN 0.111 nan 8.300 nan 0.000 0.435 315 I N 6.229 126.468 120.570 -0.551 0.000 2.307 315 I HA 0.331 3.389 4.170 -1.853 0.000 0.289 315 I C 0.153 175.862 176.117 -0.680 0.000 1.021 315 I CA -0.597 60.437 61.300 -0.444 0.000 1.224 315 I CB 1.060 38.847 38.000 -0.355 0.000 1.376 315 I HN 0.518 nan 8.210 nan 0.000 0.470 316 R N 3.685 123.919 120.500 -0.443 0.000 2.401 316 R HA 0.305 3.533 4.340 -1.853 0.000 0.299 316 R C 0.847 177.049 176.300 -0.163 0.000 1.064 316 R CA -0.184 55.734 56.100 -0.302 0.000 1.000 316 R CB 0.347 30.616 30.300 -0.052 0.000 0.973 316 R HN 0.818 nan 8.270 nan 0.000 0.438 317 G N 0.980 109.700 108.800 -0.133 0.000 2.265 317 G HA2 0.293 3.141 3.960 -1.853 0.000 0.240 317 G HA3 0.293 3.141 3.960 -1.853 0.000 0.240 317 G C 0.893 175.796 174.900 0.006 0.000 1.270 317 G CA 0.260 45.330 45.100 -0.050 0.000 0.901 317 G HN 0.821 nan 8.290 nan 0.000 0.507 318 G N 0.131 108.949 108.800 0.030 0.000 2.131 318 G HA2 0.124 2.972 3.960 -1.853 0.000 0.223 318 G HA3 0.124 2.972 3.960 -1.853 0.000 0.223 318 G C 0.362 175.379 174.900 0.196 0.000 0.990 318 G CA 0.730 45.909 45.100 0.133 0.000 0.671 318 G HN 2.274 nan 8.290 nan 0.000 0.521 319 S N -1.609 114.145 115.700 0.089 0.000 2.615 319 S HA 0.968 4.326 4.470 -1.853 0.000 0.269 319 S C -0.520 174.097 174.600 0.029 0.000 1.161 319 S CA 0.292 58.536 58.200 0.074 0.000 0.817 319 S CB 1.898 65.113 63.200 0.025 0.000 1.131 319 S HN 2.027 nan 8.310 nan 0.000 0.467 320 A N 0.173 122.988 122.820 -0.008 0.000 2.386 320 A HA 0.962 4.170 4.320 -1.853 0.000 0.311 320 A C 0.194 177.766 177.584 -0.021 0.000 1.068 320 A CA -0.372 51.675 52.037 0.017 0.000 0.743 320 A CB 1.222 20.225 19.000 0.006 0.000 1.258 320 A HN 1.671 nan 8.150 nan 0.000 0.429 321 G N -0.586 108.263 108.800 0.082 0.000 2.788 321 G HA2 0.852 3.700 3.960 -1.853 0.000 0.293 321 G HA3 0.852 3.700 3.960 -1.853 0.000 0.293 321 G C -0.653 174.370 174.900 0.205 0.000 1.305 321 G CA -0.193 44.975 45.100 0.113 0.000 1.005 321 G HN 1.841 nan 8.290 nan 0.000 0.496 322 A N -1.294 121.689 122.820 0.272 0.000 2.488 322 A HA 0.885 4.093 4.320 -1.853 0.000 0.298 322 A C -0.551 177.253 177.584 0.367 0.000 1.044 322 A CA 0.002 52.254 52.037 0.357 0.000 0.693 322 A CB 1.578 20.802 19.000 0.374 0.000 1.272 322 A HN 2.110 nan 8.150 nan 0.000 0.402 323 A N 2.042 125.042 122.820 0.299 0.000 2.374 323 A HA 0.742 3.950 4.320 -1.853 0.000 0.305 323 A C -0.970 176.759 177.584 0.243 0.000 1.053 323 A CA -0.381 51.690 52.037 0.057 0.000 0.726 323 A CB 0.803 19.557 19.000 -0.410 0.000 1.229 323 A HN 0.849 nan 8.150 nan 0.000 0.431 324 L N 1.992 123.320 121.223 0.175 0.000 2.325 324 L HA 0.587 3.815 4.340 -1.853 0.000 0.279 324 L C -0.782 176.223 176.870 0.225 0.000 1.054 324 L CA -0.597 54.369 54.840 0.210 0.000 0.804 324 L CB 1.351 43.523 42.059 0.189 0.000 1.200 324 L HN 0.763 nan 8.230 nan 0.000 0.436 325 Y N 2.822 123.174 120.300 0.088 0.000 2.441 325 Y HA 0.322 3.762 4.550 -1.850 0.000 0.334 325 Y C -0.891 174.939 175.900 -0.116 0.000 1.061 325 Y CA -1.344 56.727 58.100 -0.048 0.000 1.032 325 Y CB 1.575 39.962 38.460 -0.122 0.000 1.266 325 Y HN 0.437 nan 8.280 nan 0.000 0.441 326 K N 6.596 126.625 120.400 -0.618 0.000 2.281 326 K HA 0.375 3.583 4.320 -1.853 0.000 0.272 326 K C -1.323 174.748 176.600 -0.882 0.000 1.048 326 K CA -0.449 55.540 56.287 -0.497 0.000 0.898 326 K CB 0.311 32.666 32.500 -0.242 0.000 1.128 326 K HN 0.576 nan 8.250 nan 0.000 0.460 327 F N 4.353 124.025 119.950 -0.463 0.000 2.578 327 F HA 0.004 3.419 4.527 -1.853 0.000 0.376 327 F C 1.210 176.905 175.800 -0.176 0.000 1.085 327 F CA 0.230 58.032 58.000 -0.331 0.000 1.260 327 F CB 0.554 39.506 39.000 -0.079 0.000 1.095 327 F HN 0.493 nan 8.300 nan 0.000 0.573 328 L N 1.275 122.546 121.223 0.081 0.000 2.642 328 L HA 0.183 3.411 4.340 -1.853 0.000 0.233 328 L C 0.168 177.104 176.870 0.110 0.000 1.077 328 L CA 0.236 55.110 54.840 0.057 0.000 0.879 328 L CB 0.024 42.086 42.059 0.006 0.000 1.151 328 L HN 0.471 nan 8.230 nan 0.000 0.495 329 Q N 0.845 120.818 119.800 0.287 0.000 2.347 329 Q HA 0.435 3.663 4.340 -1.853 0.000 0.271 329 Q C -2.511 173.770 176.000 0.469 0.000 1.064 329 Q CA -1.792 54.159 55.803 0.246 0.000 0.800 329 Q CB 2.869 31.684 28.738 0.129 0.000 1.304 329 Q HN -0.140 nan 8.270 nan 0.000 0.438 330 P HA 0.540 nan 4.420 nan 0.000 0.278 330 P C -0.023 177.527 177.300 0.417 0.000 1.266 330 P CA 0.234 63.569 63.100 0.391 0.000 0.807 330 P CB 1.177 33.064 31.700 0.312 0.000 1.094 331 G N -1.234 107.743 108.800 0.295 0.000 2.353 331 G HA2 0.002 2.850 3.960 -1.853 0.000 0.615 331 G HA3 0.002 2.850 3.960 -1.853 0.000 0.615 331 G C -1.350 173.658 174.900 0.180 0.000 1.280 331 G CA -0.650 44.554 45.100 0.174 0.000 1.000 331 G HN 0.415 nan 8.290 nan 0.000 0.516 332 V N 0.936 120.881 119.914 0.052 0.000 2.530 332 V HA 0.564 3.572 4.120 -1.853 0.000 0.282 332 V C -0.178 175.918 176.094 0.004 0.000 1.048 332 V CA -0.031 62.301 62.300 0.053 0.000 0.997 332 V CB 0.534 32.313 31.823 -0.072 0.000 0.987 332 V HN 0.592 nan 8.190 nan 0.000 0.477 333 Y N 2.003 122.350 120.300 0.079 0.000 2.587 333 Y HA 0.781 4.218 4.550 -1.855 0.000 0.337 333 Y C 0.342 176.314 175.900 0.120 0.000 1.065 333 Y CA -0.925 57.254 58.100 0.131 0.000 1.126 333 Y CB 1.916 40.529 38.460 0.255 0.000 1.279 333 Y HN 0.682 nan 8.280 nan 0.000 0.489 334 A N 1.316 124.309 122.820 0.288 0.000 2.371 334 A HA 0.592 3.800 4.320 -1.853 0.000 0.311 334 A C -2.228 175.513 177.584 0.262 0.000 1.068 334 A CA -0.644 51.589 52.037 0.328 0.000 0.744 334 A CB 0.572 19.740 19.000 0.279 0.000 1.239 334 A HN 0.719 nan 8.150 nan 0.000 0.435 335 Y N 2.929 123.301 120.300 0.119 0.000 2.331 335 Y HA 0.535 3.975 4.550 -1.850 0.000 0.338 335 Y C -0.191 175.805 175.900 0.161 0.000 0.976 335 Y CA -0.372 57.724 58.100 -0.007 0.000 1.137 335 Y CB 1.434 39.800 38.460 -0.156 0.000 1.172 335 Y HN 0.836 nan 8.280 nan 0.000 0.478 336 V N 3.303 123.194 119.914 -0.037 0.000 2.962 336 V HA 0.510 3.518 4.120 -1.853 0.000 0.313 336 V C -0.791 175.312 176.094 0.016 0.000 1.099 336 V CA -1.252 61.111 62.300 0.105 0.000 0.971 336 V CB 1.871 33.697 31.823 0.005 0.000 1.028 336 V HN 0.831 nan 8.190 nan 0.000 0.430 337 N N 2.051 120.819 118.700 0.113 0.000 2.438 337 N HA 0.056 3.684 4.740 -1.853 0.000 0.267 337 N C 0.433 175.905 175.510 -0.063 0.000 1.222 337 N CA 0.263 53.319 53.050 0.010 0.000 0.930 337 N CB 0.152 38.632 38.487 -0.012 0.000 1.083 337 N HN 0.959 nan 8.380 nan 0.000 0.476 338 H N 3.136 122.129 119.070 -0.128 0.000 2.592 338 H HA 0.064 3.506 4.556 -1.857 0.000 0.291 338 H C -0.422 174.834 175.328 -0.120 0.000 1.052 338 H CA 0.052 56.013 56.048 -0.145 0.000 1.175 338 H CB -0.233 29.397 29.762 -0.220 0.000 1.378 338 H HN 0.627 nan 8.280 nan 0.000 0.576 339 N N 0.822 119.499 118.700 -0.038 0.000 2.469 339 N HA 0.047 3.675 4.740 -1.853 0.000 0.239 339 N C 0.972 176.388 175.510 -0.156 0.000 1.053 339 N CA -0.284 52.726 53.050 -0.067 0.000 0.937 339 N CB 0.534 38.991 38.487 -0.049 0.000 1.163 339 N HN 0.193 nan 8.380 nan 0.000 0.509 340 L N 3.668 124.764 121.223 -0.212 0.000 2.362 340 L HA -0.093 3.135 4.340 -1.853 0.000 0.219 340 L C 1.743 178.471 176.870 -0.236 0.000 1.134 340 L CA 0.647 55.330 54.840 -0.262 0.000 0.807 340 L CB -0.192 41.696 42.059 -0.286 0.000 0.927 340 L HN 0.724 nan 8.230 nan 0.000 0.447 341 I N -0.302 120.113 120.570 -0.259 0.000 2.226 341 I HA -0.255 2.803 4.170 -1.853 0.000 0.245 341 I C 2.337 178.321 176.117 -0.221 0.000 1.100 341 I CA 1.346 62.427 61.300 -0.366 0.000 1.374 341 I CB -0.290 37.508 38.000 -0.337 0.000 1.057 341 I HN 0.282 nan 8.210 nan 0.000 0.413 342 E N 1.065 121.164 120.200 -0.169 0.000 2.106 342 E HA -0.159 3.079 4.350 -1.853 0.000 0.192 342 E C 2.369 178.868 176.600 -0.169 0.000 0.984 342 E CA 1.188 57.499 56.400 -0.148 0.000 0.806 342 E CB -0.157 29.467 29.700 -0.126 0.000 0.750 342 E HN 0.517 nan 8.360 nan 0.000 0.458 343 A N 0.757 123.474 122.820 -0.172 0.000 1.898 343 A HA -0.088 3.120 4.320 -1.853 0.000 0.216 343 A C 2.344 179.850 177.584 -0.131 0.000 1.181 343 A CA 1.147 53.079 52.037 -0.175 0.000 0.620 343 A CB -0.131 18.772 19.000 -0.162 0.000 0.819 343 A HN 0.108 nan 8.150 nan 0.000 0.442 344 V N -1.555 118.310 119.914 -0.081 0.000 2.627 344 V HA -0.040 2.968 4.120 -1.853 0.000 0.239 344 V C 2.060 178.216 176.094 0.102 0.000 1.077 344 V CA 1.171 63.477 62.300 0.009 0.000 1.103 344 V CB -1.012 30.835 31.823 0.040 0.000 0.802 344 V HN 0.684 nan 8.190 nan 0.000 0.482 345 H N 0.224 119.236 119.070 -0.096 0.000 2.462 345 H HA 0.017 3.462 4.556 -1.850 0.000 0.292 345 H C 1.775 177.031 175.328 -0.120 0.000 1.049 345 H CA 0.845 56.838 56.048 -0.092 0.000 1.334 345 H CB 0.400 30.111 29.762 -0.084 0.000 1.404 345 H HN 0.255 nan 8.280 nan 0.000 0.544 346 K N -0.646 119.742 120.400 -0.021 0.000 2.335 346 K HA 0.138 3.346 4.320 -1.853 0.000 0.195 346 K C 1.380 177.911 176.600 -0.114 0.000 1.058 346 K CA 0.854 57.074 56.287 -0.112 0.000 0.988 346 K CB 1.517 33.929 32.500 -0.147 0.000 0.880 346 K HN 0.446 nan 8.250 nan 0.000 0.513 347 G N 0.570 109.286 108.800 -0.141 0.000 2.425 347 G HA2 -0.160 2.688 3.960 -1.853 0.000 0.177 347 G HA3 -0.160 2.688 3.960 -1.853 0.000 0.177 347 G C 0.343 175.035 174.900 -0.347 0.000 0.999 347 G CA -0.073 44.921 45.100 -0.176 0.000 0.723 347 G HN 0.278 nan 8.290 nan 0.000 0.491 348 A N 1.357 123.908 122.820 -0.449 0.000 3.074 348 A HA 0.634 3.842 4.320 -1.853 0.000 0.251 348 A C 0.526 177.704 177.584 -0.678 0.000 1.695 348 A CA 1.083 52.568 52.037 -0.919 0.000 1.343 348 A CB -0.458 18.138 19.000 -0.674 0.000 1.078 348 A HN 0.503 nan 8.150 nan 0.000 0.644 349 T N 0.723 115.038 114.554 -0.399 0.000 2.881 349 T HA 0.652 3.889 4.350 -1.853 0.000 0.290 349 T C -0.213 174.579 174.700 0.153 0.000 1.000 349 T CA 0.041 62.146 62.100 0.009 0.000 0.978 349 T CB 1.635 70.483 68.868 -0.034 0.000 0.997 349 T HN 0.697 nan 8.240 nan 0.000 0.443 350 A N 2.800 125.827 122.820 0.347 0.000 2.384 350 A HA 0.827 4.035 4.320 -1.853 0.000 0.312 350 A C -1.052 176.626 177.584 0.157 0.000 1.113 350 A CA -0.733 51.400 52.037 0.160 0.000 0.779 350 A CB 0.958 20.025 19.000 0.112 0.000 1.307 350 A HN 0.981 nan 8.150 nan 0.000 0.436 351 H N -0.735 118.391 119.070 0.092 0.000 2.569 351 H HA 0.607 4.050 4.556 -1.854 0.000 0.357 351 H C -1.089 174.283 175.328 0.074 0.000 1.153 351 H CA -1.048 55.059 56.048 0.099 0.000 1.193 351 H CB 2.118 31.926 29.762 0.076 0.000 1.602 351 H HN 0.403 nan 8.280 nan 0.000 0.523 352 V N 4.228 124.304 119.914 0.271 0.000 2.487 352 V HA 0.247 3.255 4.120 -1.853 0.000 0.298 352 V C -0.376 175.811 176.094 0.155 0.000 1.028 352 V CA -0.764 61.633 62.300 0.161 0.000 0.860 352 V CB 1.647 33.578 31.823 0.179 0.000 0.991 352 V HN 0.502 nan 8.190 nan 0.000 0.427 353 L N 5.133 126.399 121.223 0.072 0.000 2.287 353 L HA 0.693 3.921 4.340 -1.853 0.000 0.287 353 L C -0.735 176.145 176.870 0.016 0.000 1.022 353 L CA -0.667 54.218 54.840 0.075 0.000 0.814 353 L CB 1.735 43.833 42.059 0.065 0.000 1.217 353 L HN 0.376 nan 8.230 nan 0.000 0.420 354 V N 3.034 122.983 119.914 0.058 0.000 2.444 354 V HA 0.307 3.315 4.120 -1.853 0.000 0.294 354 V C -0.060 176.079 176.094 0.075 0.000 1.022 354 V CA -0.703 61.583 62.300 -0.023 0.000 0.850 354 V CB 1.841 33.587 31.823 -0.129 0.000 0.992 354 V HN 0.833 nan 8.190 nan 0.000 0.426 355 E N 3.702 123.932 120.200 0.050 0.000 2.227 355 E HA 0.890 4.128 4.350 -1.853 0.000 0.268 355 E C 0.084 176.739 176.600 0.092 0.000 0.990 355 E CA -0.498 55.949 56.400 0.078 0.000 0.856 355 E CB 2.483 32.219 29.700 0.059 0.000 1.159 355 E HN 0.971 nan 8.360 nan 0.000 0.401 356 G N 0.810 109.675 108.800 0.107 0.000 2.369 356 G HA2 0.002 2.850 3.960 -1.853 0.000 0.293 356 G HA3 0.002 2.850 3.960 -1.853 0.000 0.293 356 G C -1.559 173.425 174.900 0.141 0.000 1.301 356 G CA -1.026 44.141 45.100 0.113 0.000 0.913 356 G HN 0.541 nan 8.290 nan 0.000 0.540 357 E N 0.260 120.537 120.200 0.127 0.000 2.259 357 E HA 0.230 3.468 4.350 -1.853 0.000 0.281 357 E C -0.051 176.666 176.600 0.195 0.000 1.027 357 E CA -0.648 55.843 56.400 0.150 0.000 0.838 357 E CB 1.153 30.914 29.700 0.103 0.000 1.066 357 E HN 0.474 nan 8.360 nan 0.000 0.401 358 W N 4.015 125.353 121.300 0.064 0.000 2.210 358 W HA 0.024 3.572 4.660 -1.854 0.000 0.330 358 W C -0.522 176.033 176.519 0.061 0.000 1.334 358 W CA 0.146 57.532 57.345 0.068 0.000 1.227 358 W CB 0.848 30.342 29.460 0.056 0.000 1.178 358 W HN 0.467 nan 8.180 nan 0.000 0.560 359 D N 4.621 124.598 120.400 -0.705 0.000 2.441 359 D HA 0.098 3.626 4.640 -1.853 0.000 0.231 359 D C 0.806 176.781 176.300 -0.541 0.000 1.073 359 D CA -0.243 53.494 54.000 -0.437 0.000 0.850 359 D CB 0.493 41.118 40.800 -0.292 0.000 1.062 359 D HN 0.262 nan 8.370 nan 0.000 0.524 360 N N 2.729 121.369 118.700 -0.100 0.000 2.364 360 N HA -0.158 3.470 4.740 -1.853 0.000 0.183 360 N C 0.967 176.495 175.510 0.030 0.000 1.022 360 N CA 0.528 53.647 53.050 0.115 0.000 0.883 360 N CB 0.160 38.775 38.487 0.214 0.000 0.965 360 N HN 0.567 nan 8.380 nan 0.000 0.438 361 D N 0.668 121.050 120.400 -0.029 0.000 2.117 361 D HA -0.062 3.466 4.640 -1.853 0.000 0.197 361 D C 2.045 178.322 176.300 -0.039 0.000 0.987 361 D CA 0.767 54.753 54.000 -0.022 0.000 0.829 361 D CB 0.022 40.804 40.800 -0.029 0.000 0.961 361 D HN 0.172 nan 8.370 nan 0.000 0.460 362 L N -1.143 120.017 121.223 -0.105 0.000 2.072 362 L HA 0.070 3.298 4.340 -1.853 0.000 0.205 362 L C 1.227 178.073 176.870 -0.040 0.000 1.079 362 L CA 0.487 55.271 54.840 -0.093 0.000 0.752 362 L CB -0.127 41.834 42.059 -0.163 0.000 0.906 362 L HN 0.180 nan 8.230 nan 0.000 0.436 363 M N -0.781 118.798 119.600 -0.036 0.000 2.414 363 M HA 0.350 3.718 4.480 -1.853 0.000 0.287 363 M C -1.869 174.634 176.300 0.338 0.000 1.181 363 M CA -0.434 54.959 55.300 0.156 0.000 0.933 363 M CB 2.719 35.458 32.600 0.232 0.000 1.732 363 M HN -0.096 nan 8.290 nan 0.000 0.486 364 E N 2.613 122.973 120.200 0.267 0.000 2.321 364 E HA 0.208 3.446 4.350 -1.853 0.000 0.281 364 E C -1.862 174.828 176.600 0.149 0.000 0.910 364 E CA -0.504 56.049 56.400 0.256 0.000 0.770 364 E CB 2.296 32.107 29.700 0.185 0.000 1.225 364 E HN 0.753 nan 8.360 nan 0.000 0.417 365 Q N 4.510 124.369 119.800 0.099 0.000 2.348 365 Q HA 0.130 3.358 4.340 -1.853 0.000 0.251 365 Q C 0.177 176.202 176.000 0.041 0.000 1.113 365 Q CA -0.163 55.669 55.803 0.048 0.000 0.902 365 Q CB 0.880 29.618 28.738 0.001 0.000 1.333 365 Q HN 0.623 nan 8.270 nan 0.000 0.457 366 V N 3.959 123.900 119.914 0.045 0.000 2.358 366 V HA -0.090 2.918 4.120 -1.853 0.000 0.246 366 V C 0.500 176.609 176.094 0.024 0.000 1.047 366 V CA 1.059 63.382 62.300 0.038 0.000 1.035 366 V CB 0.414 32.260 31.823 0.038 0.000 0.658 366 V HN 0.549 nan 8.190 nan 0.000 0.452 367 V N -0.194 119.731 119.914 0.019 0.000 2.569 367 V HA 0.734 3.742 4.120 -1.853 0.000 0.301 367 V C 0.058 176.156 176.094 0.006 0.000 1.044 367 V CA -0.666 61.641 62.300 0.011 0.000 0.874 367 V CB 1.288 33.118 31.823 0.011 0.000 1.002 367 V HN 0.304 nan 8.190 nan 0.000 0.424 368 A N 6.378 129.198 122.820 -0.001 0.000 2.386 368 A HA 0.646 3.854 4.320 -1.853 0.000 0.246 368 A C -2.264 175.316 177.584 -0.006 0.000 1.089 368 A CA -1.119 50.914 52.037 -0.007 0.000 0.790 368 A CB -0.375 18.617 19.000 -0.014 0.000 1.042 368 A HN 0.703 nan 8.150 nan 0.000 0.497 369 P HA 0.173 nan 4.420 nan 0.000 0.253 369 P C -0.813 176.484 177.300 -0.006 0.000 1.170 369 P CA 0.624 63.720 63.100 -0.007 0.000 0.806 369 P CB 0.161 31.855 31.700 -0.011 0.000 0.775 370 V N 3.874 123.786 119.914 -0.003 0.000 2.823 370 V HA 0.716 3.724 4.120 -1.853 0.000 0.312 370 V C 0.531 176.624 176.094 -0.002 0.000 1.072 370 V CA -0.638 61.660 62.300 -0.003 0.000 0.937 370 V CB 2.124 33.946 31.823 -0.001 0.000 1.013 370 V HN 0.630 nan 8.190 nan 0.000 0.430 371 G N 4.477 113.276 108.800 -0.002 0.000 2.562 371 G HA2 0.325 3.173 3.960 -1.853 0.000 0.233 371 G HA3 0.325 3.173 3.960 -1.853 0.000 0.233 371 G C -0.343 174.557 174.900 -0.001 0.000 1.266 371 G CA -0.177 44.922 45.100 -0.002 0.000 0.852 371 G HN 0.546 nan 8.290 nan 0.000 0.581 372 L N 0.000 121.223 121.223 -0.001 0.000 2.949 372 L HA 0.000 3.228 4.340 -1.853 0.000 0.249 372 L CA 0.000 54.840 54.840 0.000 0.000 0.813 372 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 372 L HN 0.000 nan 8.230 nan 0.000 0.502