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 3fvs_1_A DATA FIRST_RESID 4 DATA SEQUENCE QLQARRLDGI DYNPWVEFVK LASEHDVVNL GQGFPDFPPP DFAVEAFQHA DATA SEQUENCE VSGDFMLNQY TKTFGYPPLT KILASFFGEL LGQEIDPLRN VLVTVGGYGA DATA SEQUENCE LFTAFQALVD EGDEVIIIEP FFDCYEPMTM MAGGRPVFVS LKPGPIQNGE DATA SEQUENCE LGSSSNWQLD PMELAGKFTS RTKALVLNTP NNPLGKVFSR EELELVASLC DATA SEQUENCE QQHDVVCITD EVYQWMVYDG HQHISIASLP GMWERTLTIG SAGXTFSATG DATA SEQUENCE WKVGWVLGPD HIMKHLRTVH QNSVFHCPTQ SQAAVAESFE REQLLFRQPS DATA SEQUENCE SYFVQFPQAM QRCRDHMIRS LQSVGLKPII PQGSYFLITD ISDFKRKMPD DATA SEQUENCE LPGAVDEPYD RRFVKWMIKN KGLVAIPVSI FYSVPHQKHF DHYIRFCFVK DATA SEQUENCE DEATLQAMDE KLRKWKVEL 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.005 176.000 0.008 0.000 1.003 4 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 4 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 5 L N 0.728 121.956 121.223 0.007 0.000 2.044 5 L HA -0.040 4.300 4.340 0.000 0.000 0.205 5 L C 0.770 177.646 176.870 0.010 0.000 1.075 5 L CA 1.791 56.636 54.840 0.008 0.000 0.747 5 L CB -0.102 41.961 42.059 0.007 0.000 0.903 5 L HN 0.778 nan 8.230 nan 0.000 0.435 6 Q N 0.930 120.736 119.800 0.011 0.000 2.312 6 Q HA 0.401 4.742 4.340 0.000 0.000 0.236 6 Q C -0.199 175.810 176.000 0.015 0.000 0.965 6 Q CA -0.093 55.718 55.803 0.013 0.000 0.894 6 Q CB 0.817 29.563 28.738 0.013 0.000 1.225 6 Q HN 0.319 nan 8.270 nan 0.000 0.478 7 A N 2.156 124.988 122.820 0.018 0.000 2.445 7 A HA 0.140 4.460 4.320 0.000 0.000 0.242 7 A C 0.901 178.497 177.584 0.020 0.000 1.075 7 A CA -0.221 51.828 52.037 0.021 0.000 0.777 7 A CB 0.151 19.167 19.000 0.026 0.000 1.013 7 A HN 0.859 nan 8.150 nan 0.000 0.493 8 R N 0.549 121.060 120.500 0.018 0.000 2.237 8 R HA -0.126 4.214 4.340 0.000 0.000 0.219 8 R C 2.112 178.424 176.300 0.020 0.000 1.080 8 R CA 1.462 57.572 56.100 0.017 0.000 0.995 8 R CB -0.204 30.104 30.300 0.014 0.000 0.875 8 R HN 0.881 nan 8.270 nan 0.000 0.462 9 R N 0.892 121.406 120.500 0.024 0.000 2.249 9 R HA -0.112 4.228 4.340 0.000 0.000 0.230 9 R C 1.266 177.585 176.300 0.032 0.000 1.121 9 R CA 1.256 57.373 56.100 0.029 0.000 0.997 9 R CB -0.428 29.895 30.300 0.038 0.000 0.867 9 R HN 0.257 nan 8.270 nan 0.000 0.465 10 L N 1.077 122.318 121.223 0.030 0.000 2.591 10 L HA 0.134 4.474 4.340 0.000 0.000 0.228 10 L C -0.206 176.680 176.870 0.026 0.000 1.133 10 L CA -0.293 54.564 54.840 0.029 0.000 0.880 10 L CB -0.370 41.704 42.059 0.025 0.000 1.033 10 L HN 0.053 nan 8.230 nan 0.000 0.450 11 D N 1.566 121.981 120.400 0.023 0.000 2.487 11 D HA 0.182 4.822 4.640 0.000 0.000 0.243 11 D C 1.345 177.661 176.300 0.027 0.000 1.154 11 D CA 1.310 55.323 54.000 0.022 0.000 0.876 11 D CB 0.959 41.770 40.800 0.019 0.000 1.161 11 D HN 0.285 nan 8.370 nan 0.000 0.478 12 G N 2.316 111.134 108.800 0.030 0.000 2.168 12 G HA2 -0.294 3.666 3.960 0.000 0.000 0.263 12 G HA3 -0.294 3.666 3.960 0.000 0.000 0.263 12 G C 0.819 175.748 174.900 0.048 0.000 0.977 12 G CA 0.597 45.719 45.100 0.037 0.000 0.659 12 G HN 0.696 nan 8.290 nan 0.000 0.533 13 I N -2.193 118.403 120.570 0.043 0.000 3.936 13 I HA 0.320 4.490 4.170 0.000 0.000 0.330 13 I C 1.305 177.443 176.117 0.035 0.000 1.509 13 I CA 0.437 61.762 61.300 0.043 0.000 1.126 13 I CB 0.115 38.136 38.000 0.035 0.000 1.115 13 I HN 0.071 nan 8.210 nan 0.000 0.424 14 D N 0.808 121.237 120.400 0.047 0.000 2.289 14 D HA -0.162 4.478 4.640 0.000 0.000 0.207 14 D C 0.564 176.898 176.300 0.056 0.000 0.966 14 D CA 0.136 54.159 54.000 0.039 0.000 0.868 14 D CB -0.135 40.691 40.800 0.043 0.000 0.943 14 D HN 0.448 nan 8.370 nan 0.000 0.514 15 Y N 2.301 122.577 120.300 -0.040 0.000 2.436 15 Y HA 0.240 4.782 4.550 -0.013 0.000 0.336 15 Y C -0.246 175.605 175.900 -0.081 0.000 1.049 15 Y CA -0.891 57.168 58.100 -0.067 0.000 1.294 15 Y CB 0.430 38.842 38.460 -0.080 0.000 1.179 15 Y HN -0.214 nan 8.280 nan 0.000 0.520 16 N N 8.942 127.113 118.700 -0.883 0.000 2.558 16 N HA 0.268 5.008 4.740 0.000 0.000 0.242 16 N C -2.143 172.720 175.510 -1.079 0.000 0.979 16 N CA -2.276 50.370 53.050 -0.673 0.000 0.931 16 N CB 1.575 39.871 38.487 -0.319 0.000 1.122 16 N HN 0.400 nan 8.380 nan 0.000 0.508 17 P HA -0.058 nan 4.420 nan 0.000 0.218 17 P C 0.963 177.428 177.300 -1.392 0.000 1.149 17 P CA 0.992 63.327 63.100 -1.274 0.000 0.817 17 P CB 0.123 31.152 31.700 -1.118 0.000 0.785 18 W N 0.019 120.951 121.300 -0.612 0.000 2.388 18 W HA -0.086 4.572 4.660 -0.003 0.000 0.294 18 W C 2.416 178.821 176.519 -0.190 0.000 1.212 18 W CA 0.282 57.483 57.345 -0.240 0.000 1.271 18 W CB -1.450 27.983 29.460 -0.045 0.000 1.126 18 W HN -0.258 nan 8.180 nan 0.000 0.535 19 V N 0.467 120.341 119.914 -0.066 0.000 2.287 19 V HA -0.336 3.785 4.120 0.000 0.000 0.248 19 V C 2.211 178.264 176.094 -0.068 0.000 1.053 19 V CA 2.345 64.614 62.300 -0.053 0.000 1.027 19 V CB -0.850 30.916 31.823 -0.094 0.000 0.646 19 V HN 0.258 nan 8.190 nan 0.000 0.447 20 E N -0.265 119.812 120.200 -0.205 0.000 2.072 20 E HA -0.196 4.154 4.350 0.000 0.000 0.191 20 E C 2.224 178.824 176.600 -0.001 0.000 0.985 20 E CA 1.428 57.751 56.400 -0.127 0.000 0.801 20 E CB -0.218 29.379 29.700 -0.170 0.000 0.750 20 E HN 0.661 nan 8.360 nan 0.000 0.452 21 F N 0.485 120.416 119.950 -0.032 0.000 2.091 21 F HA -0.265 4.267 4.527 0.008 0.000 0.299 21 F C 2.504 178.335 175.800 0.051 0.000 1.103 21 F CA 0.743 58.732 58.000 -0.018 0.000 1.228 21 F CB -0.291 38.678 39.000 -0.050 0.000 0.984 21 F HN -0.034 nan 8.300 nan 0.000 0.477 22 V N 0.273 120.357 119.914 0.283 0.000 2.343 22 V HA -0.325 3.795 4.120 0.000 0.000 0.247 22 V C 2.313 178.491 176.094 0.140 0.000 1.051 22 V CA 1.957 64.381 62.300 0.207 0.000 1.036 22 V CB -0.740 31.198 31.823 0.191 0.000 0.654 22 V HN 0.299 nan 8.190 nan 0.000 0.451 23 K N 0.027 120.492 120.400 0.108 0.000 1.991 23 K HA -0.249 4.071 4.320 0.000 0.000 0.212 23 K C 2.237 178.892 176.600 0.091 0.000 1.049 23 K CA 2.154 58.489 56.287 0.079 0.000 0.932 23 K CB -0.359 32.172 32.500 0.052 0.000 0.717 23 K HN 0.344 nan 8.250 nan 0.000 0.441 24 L N 1.092 122.379 121.223 0.108 0.000 2.046 24 L HA -0.090 4.250 4.340 0.000 0.000 0.208 24 L C 2.262 179.216 176.870 0.140 0.000 1.077 24 L CA 2.091 57.003 54.840 0.119 0.000 0.747 24 L CB -0.728 41.388 42.059 0.095 0.000 0.896 24 L HN 0.285 nan 8.230 nan 0.000 0.432 25 A N -0.892 121.995 122.820 0.111 0.000 1.933 25 A HA -0.215 4.105 4.320 0.000 0.000 0.218 25 A C 2.456 180.104 177.584 0.106 0.000 1.175 25 A CA 1.922 54.016 52.037 0.095 0.000 0.628 25 A CB -1.131 17.920 19.000 0.085 0.000 0.814 25 A HN 0.660 nan 8.150 nan 0.000 0.444 26 S N 0.660 116.417 115.700 0.095 0.000 2.474 26 S HA -0.146 4.324 4.470 0.000 0.000 0.235 26 S C 1.417 176.041 174.600 0.040 0.000 0.997 26 S CA 1.161 59.402 58.200 0.069 0.000 0.949 26 S CB -0.474 62.764 63.200 0.063 0.000 0.766 26 S HN 0.810 nan 8.310 nan 0.000 0.517 27 E N -0.010 120.219 120.200 0.048 0.000 2.474 27 E HA 0.133 4.484 4.350 0.000 0.000 0.195 27 E C 0.097 176.542 176.600 -0.258 0.000 1.039 27 E CA -0.112 56.248 56.400 -0.068 0.000 0.881 27 E CB -0.091 29.568 29.700 -0.068 0.000 0.970 27 E HN 0.626 nan 8.360 nan 0.000 0.486 28 H N 0.577 119.634 119.070 -0.022 0.000 2.834 28 H HA 0.202 4.757 4.556 -0.002 0.000 0.369 28 H C -1.231 174.080 175.328 -0.029 0.000 1.174 28 H CA -0.923 55.102 56.048 -0.038 0.000 1.165 28 H CB 1.984 31.707 29.762 -0.064 0.000 1.820 28 H HN -0.012 nan 8.280 nan 0.000 0.558 29 D N 2.141 122.594 120.400 0.088 0.000 2.422 29 D HA 0.259 4.899 4.640 0.000 0.000 0.227 29 D C -0.520 175.804 176.300 0.041 0.000 1.190 29 D CA -0.282 53.744 54.000 0.044 0.000 0.905 29 D CB -0.077 40.736 40.800 0.021 0.000 1.034 29 D HN 0.345 nan 8.370 nan 0.000 0.507 30 V N 1.054 120.994 119.914 0.043 0.000 2.960 30 V HA 0.657 4.778 4.120 0.000 0.000 0.315 30 V C -0.330 175.787 176.094 0.038 0.000 1.087 30 V CA -1.000 61.318 62.300 0.030 0.000 0.982 30 V CB 1.906 33.745 31.823 0.026 0.000 1.039 30 V HN 0.102 nan 8.190 nan 0.000 0.437 31 V N 3.063 123.004 119.914 0.045 0.000 2.364 31 V HA 0.381 4.502 4.120 0.000 0.000 0.272 31 V C 0.257 176.387 176.094 0.060 0.000 1.036 31 V CA -0.279 62.055 62.300 0.057 0.000 0.880 31 V CB 0.893 32.759 31.823 0.072 0.000 0.991 31 V HN 0.940 nan 8.190 nan 0.000 0.460 32 N N 5.212 123.938 118.700 0.043 0.000 2.602 32 N HA 0.274 5.014 4.740 0.000 0.000 0.238 32 N C 0.327 175.850 175.510 0.022 0.000 1.084 32 N CA -0.128 52.939 53.050 0.028 0.000 0.952 32 N CB 0.801 39.297 38.487 0.015 0.000 1.244 32 N HN 0.669 nan 8.380 nan 0.000 0.512 33 L N 1.255 122.522 121.223 0.075 0.000 2.653 33 L HA 0.279 4.619 4.340 0.000 0.000 0.231 33 L C 1.858 178.776 176.870 0.079 0.000 1.153 33 L CA -0.088 54.829 54.840 0.128 0.000 0.933 33 L CB 0.311 42.579 42.059 0.348 0.000 1.175 33 L HN 0.434 nan 8.230 nan 0.000 0.473 34 G N -0.872 107.939 108.800 0.017 0.000 2.539 34 G HA2 -0.038 3.922 3.960 0.000 0.000 0.215 34 G HA3 -0.038 3.922 3.960 0.000 0.000 0.215 34 G C 0.700 175.667 174.900 0.112 0.000 1.141 34 G CA -0.230 44.888 45.100 0.029 0.000 0.806 34 G HN 0.310 nan 8.290 nan 0.000 0.533 35 Q N 0.713 120.499 119.800 -0.023 0.000 2.271 35 Q HA 0.359 4.699 4.340 0.000 0.000 0.273 35 Q C 0.651 176.531 176.000 -0.199 0.000 1.051 35 Q CA -0.152 55.511 55.803 -0.233 0.000 0.901 35 Q CB 1.219 29.495 28.738 -0.770 0.000 1.174 35 Q HN 0.175 nan 8.270 nan 0.000 0.385 36 G N 3.895 112.777 108.800 0.138 0.000 3.574 36 G HA2 0.371 4.331 3.960 0.000 0.000 0.262 36 G HA3 0.371 4.331 3.960 0.000 0.000 0.262 36 G C -0.555 174.653 174.900 0.513 0.000 1.231 36 G CA -0.109 45.295 45.100 0.507 0.000 1.608 36 G HN 0.529 nan 8.290 nan 0.000 0.628 37 F N -2.800 117.252 119.950 0.170 0.000 2.668 37 F HA 0.690 5.216 4.527 -0.002 0.000 0.309 37 F C -3.140 172.526 175.800 -0.223 0.000 1.117 37 F CA -3.517 54.508 58.000 0.040 0.000 0.951 37 F CB 0.710 39.752 39.000 0.071 0.000 1.323 37 F HN -0.201 nan 8.300 nan 0.000 0.451 38 P HA 0.149 nan 4.420 nan 0.000 0.271 38 P C -0.411 176.664 177.300 -0.374 0.000 1.216 38 P CA 0.038 62.747 63.100 -0.652 0.000 0.776 38 P CB 0.595 31.649 31.700 -1.077 0.000 0.881 39 D N 1.896 122.056 120.400 -0.401 0.000 2.525 39 D HA 0.129 4.769 4.640 0.000 0.000 0.229 39 D C -0.288 176.022 176.300 0.017 0.000 1.202 39 D CA -0.304 53.643 54.000 -0.088 0.000 0.828 39 D CB -0.831 39.967 40.800 -0.003 0.000 1.008 39 D HN 0.254 nan 8.370 nan 0.000 0.493 40 F N -1.869 118.134 119.950 0.088 0.000 2.640 40 F HA 0.818 5.346 4.527 0.002 0.000 0.324 40 F C -2.817 173.017 175.800 0.057 0.000 1.077 40 F CA -3.049 54.996 58.000 0.074 0.000 0.965 40 F CB -0.380 38.672 39.000 0.085 0.000 1.351 40 F HN -0.392 nan 8.300 nan 0.000 0.487 41 P HA 0.320 nan 4.420 nan 0.000 0.272 41 P C -2.584 174.808 177.300 0.154 0.000 1.223 41 P CA -0.738 62.461 63.100 0.165 0.000 0.784 41 P CB 0.020 31.790 31.700 0.116 0.000 0.923 42 P HA 0.151 nan 4.420 nan 0.000 0.271 42 P C -2.328 174.834 177.300 -0.231 0.000 1.244 42 P CA -1.181 61.803 63.100 -0.194 0.000 0.793 42 P CB -1.139 30.350 31.700 -0.351 0.000 0.984 43 P HA 0.005 nan 4.420 nan 0.000 0.272 43 P C 0.100 177.142 177.300 -0.431 0.000 1.223 43 P CA 0.149 62.986 63.100 -0.439 0.000 0.784 43 P CB 0.595 31.815 31.700 -0.800 0.000 0.923 44 D N 1.150 121.447 120.400 -0.171 0.000 2.133 44 D HA -0.177 4.463 4.640 0.000 0.000 0.195 44 D C 1.657 177.877 176.300 -0.134 0.000 0.997 44 D CA 1.499 55.440 54.000 -0.098 0.000 0.840 44 D CB -0.757 40.050 40.800 0.011 0.000 0.947 44 D HN 0.548 nan 8.370 nan 0.000 0.452 45 F N 0.332 120.206 119.950 -0.128 0.000 2.216 45 F HA 0.035 4.563 4.527 0.001 0.000 0.300 45 F C 2.133 177.828 175.800 -0.175 0.000 1.085 45 F CA 0.923 58.837 58.000 -0.143 0.000 1.326 45 F CB -0.697 38.206 39.000 -0.162 0.000 1.027 45 F HN -0.066 nan 8.300 nan 0.000 0.497 46 A N 1.191 123.416 122.820 -0.992 0.000 1.872 46 A HA -0.002 4.318 4.320 0.000 0.000 0.214 46 A C 2.309 179.870 177.584 -0.039 0.000 1.187 46 A CA 1.679 53.346 52.037 -0.617 0.000 0.614 46 A CB -1.299 17.116 19.000 -0.974 0.000 0.826 46 A HN 0.265 nan 8.150 nan 0.000 0.442 47 V N 0.405 120.272 119.914 -0.078 0.000 2.287 47 V HA -0.303 3.818 4.120 0.000 0.000 0.248 47 V C 2.406 178.485 176.094 -0.025 0.000 1.053 47 V CA 2.413 64.762 62.300 0.082 0.000 1.027 47 V CB -0.976 30.851 31.823 0.007 0.000 0.646 47 V HN 0.644 nan 8.190 nan 0.000 0.447 48 E N 0.245 120.361 120.200 -0.140 0.000 2.118 48 E HA -0.220 4.130 4.350 0.000 0.000 0.195 48 E C 2.315 178.561 176.600 -0.591 0.000 0.992 48 E CA 1.340 57.534 56.400 -0.343 0.000 0.804 48 E CB -0.379 29.174 29.700 -0.244 0.000 0.741 48 E HN 0.620 nan 8.360 nan 0.000 0.458 49 A N 0.850 123.525 122.820 -0.242 0.000 1.902 49 A HA -0.186 4.134 4.320 0.000 0.000 0.217 49 A C 1.988 179.536 177.584 -0.059 0.000 1.181 49 A CA 1.053 53.031 52.037 -0.099 0.000 0.623 49 A CB -0.769 18.220 19.000 -0.019 0.000 0.818 49 A HN 0.359 nan 8.150 nan 0.000 0.443 50 F N 0.116 119.911 119.950 -0.259 0.000 2.163 50 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 50 F C 2.712 178.368 175.800 -0.239 0.000 1.094 50 F CA 1.216 59.007 58.000 -0.349 0.000 1.290 50 F CB -0.044 38.651 39.000 -0.507 0.000 1.017 50 F HN 0.313 nan 8.300 nan 0.000 0.483 51 Q N -0.522 119.238 119.800 -0.066 0.000 2.096 51 Q HA -0.271 4.069 4.340 0.000 0.000 0.204 51 Q C 1.712 177.706 176.000 -0.009 0.000 0.982 51 Q CA 2.162 57.895 55.803 -0.116 0.000 0.850 51 Q CB -0.444 28.203 28.738 -0.152 0.000 0.901 51 Q HN 0.647 nan 8.270 nan 0.000 0.422 52 H N -0.326 118.755 119.070 0.019 0.000 2.353 52 H HA -0.070 4.486 4.556 0.001 0.000 0.300 52 H C 2.113 177.446 175.328 0.010 0.000 1.090 52 H CA 0.613 56.668 56.048 0.012 0.000 1.327 52 H CB 0.020 29.790 29.762 0.014 0.000 1.383 52 H HN 0.320 nan 8.280 nan 0.000 0.508 53 A N 0.956 123.856 122.820 0.134 0.000 1.969 53 A HA -0.116 4.204 4.320 0.000 0.000 0.218 53 A C 2.353 179.967 177.584 0.049 0.000 1.169 53 A CA 1.613 53.689 52.037 0.065 0.000 0.635 53 A CB -0.616 18.393 19.000 0.016 0.000 0.810 53 A HN 0.356 nan 8.150 nan 0.000 0.445 54 V N -2.258 117.682 119.914 0.044 0.000 3.649 54 V HA 0.151 4.271 4.120 0.000 0.000 0.275 54 V C 1.229 177.324 176.094 0.001 0.000 1.281 54 V CA 1.362 63.657 62.300 -0.008 0.000 1.143 54 V CB -0.359 31.403 31.823 -0.102 0.000 0.892 54 V HN 0.659 nan 8.190 nan 0.000 0.441 55 S N -1.308 114.411 115.700 0.031 0.000 2.819 55 S HA 0.560 5.030 4.470 0.000 0.000 0.249 55 S C 0.902 175.533 174.600 0.052 0.000 1.030 55 S CA 0.234 58.457 58.200 0.038 0.000 1.052 55 S CB 0.475 63.700 63.200 0.041 0.000 1.017 55 S HN 0.738 nan 8.310 nan 0.000 0.576 56 G N 1.377 110.208 108.800 0.052 0.000 3.022 56 G HA2 0.354 4.314 3.960 0.000 0.000 0.157 56 G HA3 0.354 4.314 3.960 0.000 0.000 0.157 56 G C -0.731 174.191 174.900 0.036 0.000 1.468 56 G CA -0.379 44.744 45.100 0.038 0.000 1.058 56 G HN 0.346 nan 8.290 nan 0.000 0.581 57 D N 0.323 120.720 120.400 -0.006 0.000 2.502 57 D HA -0.020 4.620 4.640 0.000 0.000 0.249 57 D C 1.474 177.722 176.300 -0.087 0.000 1.188 57 D CA -0.369 53.580 54.000 -0.086 0.000 0.890 57 D CB 0.193 40.925 40.800 -0.113 0.000 1.140 57 D HN 0.186 nan 8.370 nan 0.000 0.505 58 F N 2.962 122.911 119.950 -0.002 0.000 2.333 58 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 58 F C 1.687 177.478 175.800 -0.014 0.000 1.083 58 F CA 0.369 58.361 58.000 -0.012 0.000 1.395 58 F CB -0.608 38.382 39.000 -0.016 0.000 1.056 58 F HN 0.224 nan 8.300 nan 0.000 0.529 59 M N 0.851 120.196 119.600 -0.426 0.000 2.557 59 M HA 0.019 4.499 4.480 0.000 0.000 0.259 59 M C 1.922 178.180 176.300 -0.069 0.000 1.086 59 M CA 0.805 55.976 55.300 -0.215 0.000 1.096 59 M CB -1.143 31.264 32.600 -0.323 0.000 1.424 59 M HN 0.394 nan 8.290 nan 0.000 0.488 60 L N -0.024 121.162 121.223 -0.060 0.000 2.450 60 L HA -0.183 4.157 4.340 0.000 0.000 0.224 60 L C 1.722 178.573 176.870 -0.032 0.000 1.149 60 L CA 0.500 55.314 54.840 -0.044 0.000 0.816 60 L CB -0.717 41.305 42.059 -0.061 0.000 0.932 60 L HN 0.367 nan 8.230 nan 0.000 0.449 61 N N -0.632 118.068 118.700 0.000 0.000 2.515 61 N HA -0.029 4.711 4.740 0.000 0.000 0.185 61 N C 0.510 175.989 175.510 -0.052 0.000 1.109 61 N CA 0.550 53.594 53.050 -0.010 0.000 0.903 61 N CB 0.269 38.769 38.487 0.022 0.000 0.969 61 N HN 0.403 nan 8.380 nan 0.000 0.450 62 Q N -0.287 119.485 119.800 -0.047 0.000 2.240 62 Q HA 0.268 4.608 4.340 0.000 0.000 0.260 62 Q C -0.137 175.837 176.000 -0.043 0.000 1.018 62 Q CA -0.766 54.970 55.803 -0.111 0.000 0.898 62 Q CB 0.378 29.076 28.738 -0.068 0.000 1.301 62 Q HN 0.177 nan 8.270 nan 0.000 0.469 63 Y N 0.187 120.437 120.300 -0.084 0.000 2.903 63 Y HA -0.077 4.473 4.550 -0.000 0.000 0.338 63 Y C 1.403 177.322 175.900 0.032 0.000 1.265 63 Y CA 0.557 58.588 58.100 -0.115 0.000 1.532 63 Y CB 0.426 38.770 38.460 -0.195 0.000 1.293 63 Y HN 0.440 nan 8.280 nan 0.000 0.609 64 T N 2.629 117.357 114.554 0.290 0.000 2.876 64 T HA 0.278 4.628 4.350 0.000 0.000 0.277 64 T C -0.345 174.523 174.700 0.280 0.000 0.997 64 T CA -1.120 61.147 62.100 0.278 0.000 0.966 64 T CB 0.570 69.633 68.868 0.325 0.000 1.312 64 T HN 0.311 nan 8.240 nan 0.000 0.598 65 K N 1.769 122.291 120.400 0.203 0.000 2.382 65 K HA 0.103 4.423 4.320 0.000 0.000 0.275 65 K C 1.378 177.996 176.600 0.031 0.000 1.009 65 K CA 0.105 56.450 56.287 0.097 0.000 0.970 65 K CB 0.738 33.267 32.500 0.048 0.000 0.934 65 K HN 0.776 nan 8.250 nan 0.000 0.479 66 T N 1.255 115.680 114.554 -0.215 0.000 2.665 66 T HA -0.156 4.194 4.350 0.000 0.000 0.268 66 T C 1.073 175.553 174.700 -0.367 0.000 1.035 66 T CA 1.642 63.433 62.100 -0.515 0.000 1.151 66 T CB -0.099 68.016 68.868 -1.257 0.000 0.862 66 T HN 0.431 nan 8.240 nan 0.000 0.438 67 F N 1.026 120.935 119.950 -0.069 0.000 2.765 67 F HA 0.541 5.068 4.527 -0.000 0.000 0.302 67 F C 1.370 177.127 175.800 -0.073 0.000 1.111 67 F CA -0.124 57.783 58.000 -0.155 0.000 1.359 67 F CB -0.040 38.875 39.000 -0.142 0.000 1.097 67 F HN 0.399 nan 8.300 nan 0.000 0.577 68 G N -1.013 107.866 108.800 0.132 0.000 2.318 68 G HA2 0.098 4.058 3.960 0.000 0.000 0.302 68 G HA3 0.098 4.058 3.960 0.000 0.000 0.302 68 G C -1.828 173.187 174.900 0.191 0.000 1.633 68 G CA -1.329 43.872 45.100 0.168 0.000 0.965 68 G HN -0.122 nan 8.290 nan 0.000 0.698 69 Y N 3.381 123.737 120.300 0.093 0.000 2.745 69 Y HA 0.327 4.877 4.550 0.001 0.000 0.335 69 Y C -1.106 174.830 175.900 0.059 0.000 1.212 69 Y CA -0.808 57.337 58.100 0.074 0.000 1.535 69 Y CB 1.020 39.522 38.460 0.070 0.000 1.220 69 Y HN 0.341 nan 8.280 nan 0.000 0.531 70 P HA -0.153 nan 4.420 nan 0.000 0.216 70 P C -1.368 175.756 177.300 -0.293 0.000 1.153 70 P CA 1.935 64.890 63.100 -0.242 0.000 0.858 70 P CB -0.546 31.034 31.700 -0.200 0.000 0.789 71 P HA -0.135 nan 4.420 nan 0.000 0.219 71 P C 1.546 178.800 177.300 -0.076 0.000 1.146 71 P CA 0.834 63.768 63.100 -0.277 0.000 0.808 71 P CB -0.368 31.152 31.700 -0.300 0.000 0.779 72 L N -0.123 121.108 121.223 0.014 0.000 2.044 72 L HA -0.080 4.260 4.340 0.000 0.000 0.205 72 L C 2.164 179.054 176.870 0.034 0.000 1.075 72 L CA 2.494 57.409 54.840 0.125 0.000 0.747 72 L CB -1.857 40.362 42.059 0.267 0.000 0.903 72 L HN 0.034 nan 8.230 nan 0.000 0.435 73 T N -2.879 111.687 114.554 0.021 0.000 2.867 73 T HA -0.232 4.118 4.350 0.000 0.000 0.268 73 T C 1.948 176.635 174.700 -0.021 0.000 1.057 73 T CA 1.476 63.579 62.100 0.005 0.000 1.136 73 T CB -0.451 68.434 68.868 0.028 0.000 0.874 73 T HN 0.400 nan 8.240 nan 0.000 0.466 74 K N 0.581 120.960 120.400 -0.036 0.000 2.002 74 K HA -0.076 4.244 4.320 0.000 0.000 0.209 74 K C 2.262 178.839 176.600 -0.038 0.000 1.048 74 K CA 1.540 57.804 56.287 -0.039 0.000 0.930 74 K CB -0.404 32.064 32.500 -0.053 0.000 0.714 74 K HN 0.325 nan 8.250 nan 0.000 0.438 75 I N 1.261 121.805 120.570 -0.042 0.000 2.353 75 I HA -0.166 4.004 4.170 0.000 0.000 0.248 75 I C 1.772 177.821 176.117 -0.113 0.000 1.119 75 I CA 1.105 62.369 61.300 -0.059 0.000 1.417 75 I CB -0.028 37.952 38.000 -0.034 0.000 1.078 75 I HN 0.234 nan 8.210 nan 0.000 0.421 76 L N 0.193 121.329 121.223 -0.146 0.000 2.017 76 L HA -0.190 4.150 4.340 0.000 0.000 0.208 76 L C 2.689 179.576 176.870 0.029 0.000 1.073 76 L CA 1.441 56.193 54.840 -0.147 0.000 0.745 76 L CB -1.033 40.855 42.059 -0.285 0.000 0.894 76 L HN 0.299 nan 8.230 nan 0.000 0.432 77 A N -0.914 121.905 122.820 -0.002 0.000 1.902 77 A HA -0.244 4.076 4.320 0.000 0.000 0.217 77 A C 2.544 180.125 177.584 -0.004 0.000 1.181 77 A CA 2.169 54.216 52.037 0.016 0.000 0.623 77 A CB -0.701 18.299 19.000 0.001 0.000 0.818 77 A HN 0.397 nan 8.150 nan 0.000 0.443 78 S N -1.648 114.041 115.700 -0.019 0.000 2.338 78 S HA -0.128 4.343 4.470 0.000 0.000 0.218 78 S C 1.813 176.390 174.600 -0.038 0.000 1.032 78 S CA 1.559 59.742 58.200 -0.029 0.000 0.999 78 S CB -0.517 62.671 63.200 -0.019 0.000 0.905 78 S HN 0.532 nan 8.310 nan 0.000 0.439 79 F N 1.233 121.035 119.950 -0.246 0.000 2.102 79 F HA 0.069 4.596 4.527 -0.000 0.000 0.298 79 F C 1.642 177.181 175.800 -0.435 0.000 1.105 79 F CA 1.413 59.175 58.000 -0.397 0.000 1.239 79 F CB -0.670 37.989 39.000 -0.569 0.000 0.991 79 F HN 0.279 nan 8.300 nan 0.000 0.474 80 F N 0.186 120.051 119.950 -0.142 0.000 2.367 80 F HA 0.109 4.637 4.527 0.001 0.000 0.298 80 F C 2.624 178.329 175.800 -0.159 0.000 1.094 80 F CA 0.979 58.876 58.000 -0.172 0.000 1.409 80 F CB -1.376 37.586 39.000 -0.063 0.000 1.064 80 F HN 0.028 nan 8.300 nan 0.000 0.528 81 G N -0.169 108.620 108.800 -0.019 0.000 2.418 81 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 81 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 81 G C 1.565 176.379 174.900 -0.144 0.000 1.158 81 G CA 0.787 45.823 45.100 -0.107 0.000 0.771 81 G HN 0.329 nan 8.290 nan 0.000 0.545 82 E N 0.021 120.115 120.200 -0.177 0.000 2.031 82 E HA -0.062 4.288 4.350 0.000 0.000 0.193 82 E C 2.577 179.060 176.600 -0.195 0.000 0.994 82 E CA 0.760 57.042 56.400 -0.198 0.000 0.800 82 E CB -0.225 29.322 29.700 -0.255 0.000 0.752 82 E HN 0.381 nan 8.360 nan 0.000 0.447 83 L N 0.449 121.518 121.223 -0.256 0.000 2.083 83 L HA -0.168 4.172 4.340 0.000 0.000 0.209 83 L C 2.224 179.064 176.870 -0.051 0.000 1.083 83 L CA 0.824 55.566 54.840 -0.164 0.000 0.752 83 L CB -0.214 41.730 42.059 -0.192 0.000 0.899 83 L HN 0.168 nan 8.230 nan 0.000 0.433 84 L N -0.549 120.655 121.223 -0.032 0.000 2.558 84 L HA 0.165 4.505 4.340 0.000 0.000 0.225 84 L C 1.254 178.085 176.870 -0.065 0.000 1.128 84 L CA 0.334 55.169 54.840 -0.009 0.000 0.868 84 L CB -0.427 41.654 42.059 0.037 0.000 1.006 84 L HN 0.437 nan 8.230 nan 0.000 0.454 85 G N 1.126 109.867 108.800 -0.097 0.000 2.295 85 G HA2 -0.299 3.661 3.960 0.000 0.000 0.287 85 G HA3 -0.299 3.661 3.960 0.000 0.000 0.287 85 G C -0.157 174.637 174.900 -0.176 0.000 1.055 85 G CA 0.373 45.406 45.100 -0.112 0.000 0.922 85 G HN 0.394 nan 8.290 nan 0.000 0.503 86 Q N -0.377 119.270 119.800 -0.254 0.000 2.315 86 Q HA 0.543 4.884 4.340 0.000 0.000 0.273 86 Q C -0.608 175.154 176.000 -0.397 0.000 1.053 86 Q CA -0.779 54.759 55.803 -0.441 0.000 0.817 86 Q CB 1.170 29.444 28.738 -0.773 0.000 1.326 86 Q HN 0.167 nan 8.270 nan 0.000 0.423 87 E N 3.746 123.724 120.200 -0.370 0.000 2.217 87 E HA 0.227 4.577 4.350 0.000 0.000 0.279 87 E C -0.436 175.987 176.600 -0.295 0.000 1.068 87 E CA 0.194 56.438 56.400 -0.259 0.000 0.882 87 E CB 0.293 29.887 29.700 -0.177 0.000 1.039 87 E HN 0.544 nan 8.360 nan 0.000 0.418 88 I N 2.583 123.036 120.570 -0.195 0.000 2.362 88 I HA 0.108 4.278 4.170 0.000 0.000 0.289 88 I C 0.151 176.257 176.117 -0.017 0.000 0.994 88 I CA -0.943 60.300 61.300 -0.094 0.000 1.158 88 I CB 1.486 39.461 38.000 -0.041 0.000 1.315 88 I HN 0.243 nan 8.210 nan 0.000 0.451 89 D N 8.698 129.115 120.400 0.028 0.000 2.295 89 D HA 0.240 4.880 4.640 0.000 0.000 0.248 89 D C -1.727 174.592 176.300 0.031 0.000 1.154 89 D CA -1.838 52.175 54.000 0.022 0.000 0.857 89 D CB 1.667 42.482 40.800 0.026 0.000 1.117 89 D HN 0.171 nan 8.370 nan 0.000 0.468 90 P HA -0.138 nan 4.420 nan 0.000 0.216 90 P C 1.187 178.502 177.300 0.026 0.000 1.150 90 P CA 0.415 63.526 63.100 0.019 0.000 0.837 90 P CB 0.206 31.909 31.700 0.005 0.000 0.786 91 L N -1.237 120.000 121.223 0.023 0.000 2.270 91 L HA 0.061 4.401 4.340 0.000 0.000 0.210 91 L C 2.071 178.932 176.870 -0.016 0.000 1.104 91 L CA 1.654 56.513 54.840 0.031 0.000 0.804 91 L CB -0.534 41.549 42.059 0.040 0.000 0.937 91 L HN -0.199 nan 8.230 nan 0.000 0.450 92 R N -1.581 118.908 120.500 -0.017 0.000 2.279 92 R HA 0.206 4.546 4.340 0.000 0.000 0.195 92 R C 0.722 176.995 176.300 -0.044 0.000 0.905 92 R CA 0.313 56.383 56.100 -0.050 0.000 1.044 92 R CB 0.251 30.544 30.300 -0.013 0.000 1.056 92 R HN 0.268 nan 8.270 nan 0.000 0.535 93 N N -0.184 118.528 118.700 0.020 0.000 2.171 93 N HA 0.121 4.861 4.740 0.000 0.000 0.212 93 N C -0.845 174.703 175.510 0.063 0.000 1.184 93 N CA 0.273 53.372 53.050 0.081 0.000 0.888 93 N CB 1.978 40.630 38.487 0.275 0.000 1.038 93 N HN -0.136 nan 8.380 nan 0.000 0.517 94 V N 1.742 121.668 119.914 0.020 0.000 2.638 94 V HA 0.484 4.604 4.120 0.000 0.000 0.306 94 V C -0.975 175.121 176.094 0.004 0.000 1.052 94 V CA -0.928 61.393 62.300 0.036 0.000 0.885 94 V CB 2.648 34.498 31.823 0.046 0.000 0.999 94 V HN -0.057 nan 8.190 nan 0.000 0.424 95 L N 5.553 126.790 121.223 0.023 0.000 2.409 95 L HA 0.727 5.067 4.340 0.000 0.000 0.272 95 L C -0.617 176.307 176.870 0.090 0.000 0.980 95 L CA -0.164 54.672 54.840 -0.008 0.000 0.826 95 L CB 2.061 44.056 42.059 -0.107 0.000 1.268 95 L HN 0.448 nan 8.230 nan 0.000 0.407 96 V N 3.874 123.847 119.914 0.098 0.000 2.498 96 V HA 0.663 4.783 4.120 0.000 0.000 0.279 96 V C 0.565 176.754 176.094 0.159 0.000 1.048 96 V CA 0.179 62.600 62.300 0.201 0.000 0.967 96 V CB 1.172 33.133 31.823 0.231 0.000 0.988 96 V HN 0.959 nan 8.190 nan 0.000 0.473 97 T N 0.935 115.623 114.554 0.223 0.000 2.864 97 T HA 0.563 4.913 4.350 0.000 0.000 0.289 97 T C -0.476 174.362 174.700 0.231 0.000 1.082 97 T CA -0.775 61.466 62.100 0.235 0.000 1.009 97 T CB 1.687 70.666 68.868 0.186 0.000 1.234 97 T HN 0.168 nan 8.240 nan 0.000 0.526 98 V N 2.290 122.339 119.914 0.225 0.000 2.229 98 V HA 0.545 4.665 4.120 0.000 0.000 0.245 98 V C 1.393 177.589 176.094 0.171 0.000 1.243 98 V CA 0.756 63.167 62.300 0.186 0.000 1.176 98 V CB -1.157 30.760 31.823 0.156 0.000 1.323 98 V HN 1.484 nan 8.190 nan 0.000 0.499 99 G N 3.858 112.750 108.800 0.154 0.000 2.860 99 G HA2 -0.043 3.917 3.960 0.000 0.000 0.553 99 G HA3 -0.043 3.917 3.960 0.000 0.000 0.553 99 G C 0.865 175.789 174.900 0.041 0.000 1.439 99 G CA -0.219 44.945 45.100 0.108 0.000 0.879 99 G HN 0.984 nan 8.290 nan 0.000 0.545 100 G N -0.992 107.767 108.800 -0.070 0.000 2.469 100 G HA2 -0.159 3.801 3.960 0.000 0.000 0.220 100 G HA3 -0.159 3.801 3.960 0.000 0.000 0.220 100 G C 1.481 176.387 174.900 0.011 0.000 1.136 100 G CA 2.093 47.104 45.100 -0.149 0.000 0.759 100 G HN 0.710 nan 8.290 nan 0.000 0.562 101 Y N 0.958 121.302 120.300 0.073 0.000 2.097 101 Y HA -0.090 4.461 4.550 0.002 0.000 0.282 101 Y C 3.110 179.127 175.900 0.196 0.000 1.152 101 Y CA 1.341 59.544 58.100 0.173 0.000 1.136 101 Y CB -0.458 38.084 38.460 0.136 0.000 0.975 101 Y HN 0.222 nan 8.280 nan 0.000 0.498 102 G N -0.868 108.128 108.800 0.327 0.000 2.422 102 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 102 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 102 G C 1.830 176.909 174.900 0.298 0.000 1.146 102 G CA 0.915 46.198 45.100 0.305 0.000 0.769 102 G HN 0.496 nan 8.290 nan 0.000 0.547 103 A N 0.578 123.506 122.820 0.180 0.000 1.873 103 A HA 0.116 4.436 4.320 0.000 0.000 0.215 103 A C 2.432 180.075 177.584 0.098 0.000 1.186 103 A CA 1.231 53.323 52.037 0.091 0.000 0.616 103 A CB -0.418 18.560 19.000 -0.036 0.000 0.823 103 A HN 0.344 nan 8.150 nan 0.000 0.442 104 L N -2.016 119.303 121.223 0.160 0.000 2.017 104 L HA -0.176 4.164 4.340 0.000 0.000 0.208 104 L C 2.483 179.603 176.870 0.416 0.000 1.073 104 L CA 1.792 56.776 54.840 0.239 0.000 0.745 104 L CB -0.563 41.736 42.059 0.400 0.000 0.894 104 L HN 0.516 nan 8.230 nan 0.000 0.432 105 F N 0.642 120.778 119.950 0.311 0.000 2.134 105 F HA -0.242 4.286 4.527 0.002 0.000 0.299 105 F C 2.443 178.376 175.800 0.222 0.000 1.097 105 F CA 2.063 60.243 58.000 0.300 0.000 1.264 105 F CB -0.518 38.615 39.000 0.222 0.000 1.001 105 F HN -0.048 nan 8.300 nan 0.000 0.479 106 T N 0.611 115.247 114.554 0.136 0.000 2.746 106 T HA -0.137 4.213 4.350 0.000 0.000 0.267 106 T C 2.238 176.877 174.700 -0.102 0.000 1.039 106 T CA 1.357 63.452 62.100 -0.008 0.000 1.142 106 T CB -0.824 68.120 68.868 0.127 0.000 0.866 106 T HN 0.372 nan 8.240 nan 0.000 0.444 107 A N 0.956 123.711 122.820 -0.108 0.000 1.877 107 A HA 0.006 4.326 4.320 0.000 0.000 0.216 107 A C 1.976 179.393 177.584 -0.278 0.000 1.186 107 A CA 1.320 53.216 52.037 -0.235 0.000 0.620 107 A CB -1.016 17.773 19.000 -0.353 0.000 0.822 107 A HN 0.446 nan 8.150 nan 0.000 0.443 108 F N 0.086 119.937 119.950 -0.164 0.000 2.102 108 F HA -0.185 4.343 4.527 0.003 0.000 0.298 108 F C 2.781 178.445 175.800 -0.226 0.000 1.105 108 F CA 1.712 59.608 58.000 -0.173 0.000 1.239 108 F CB -0.304 38.621 39.000 -0.124 0.000 0.991 108 F HN 0.191 nan 8.300 nan 0.000 0.474 109 Q N -0.175 119.521 119.800 -0.174 0.000 2.224 109 Q HA -0.061 4.279 4.340 0.000 0.000 0.203 109 Q C 2.431 178.341 176.000 -0.149 0.000 0.970 109 Q CA 1.186 56.842 55.803 -0.245 0.000 0.865 109 Q CB -0.608 27.829 28.738 -0.502 0.000 0.922 109 Q HN 0.449 nan 8.270 nan 0.000 0.445 110 A N 0.060 122.798 122.820 -0.136 0.000 1.930 110 A HA -0.019 4.302 4.320 0.000 0.000 0.215 110 A C 1.955 179.462 177.584 -0.128 0.000 1.176 110 A CA 0.853 52.831 52.037 -0.098 0.000 0.632 110 A CB -0.107 18.851 19.000 -0.069 0.000 0.819 110 A HN 0.295 nan 8.150 nan 0.000 0.445 111 L N -1.212 119.928 121.223 -0.138 0.000 2.577 111 L HA 0.187 4.527 4.340 0.000 0.000 0.225 111 L C -0.160 176.641 176.870 -0.114 0.000 1.053 111 L CA -0.023 54.727 54.840 -0.151 0.000 0.866 111 L CB 0.389 42.340 42.059 -0.180 0.000 1.132 111 L HN 0.010 nan 8.230 nan 0.000 0.486 112 V N 1.116 120.989 119.914 -0.069 0.000 2.432 112 V HA 0.276 4.397 4.120 0.000 0.000 0.275 112 V C -0.615 175.459 176.094 -0.034 0.000 1.043 112 V CA -0.202 62.083 62.300 -0.026 0.000 0.925 112 V CB 1.562 33.430 31.823 0.074 0.000 0.985 112 V HN 0.073 nan 8.190 nan 0.000 0.466 113 D N 1.909 122.284 120.400 -0.041 0.000 2.493 113 D HA 0.283 4.923 4.640 0.000 0.000 0.239 113 D C -0.311 175.969 176.300 -0.032 0.000 1.049 113 D CA -0.683 53.292 54.000 -0.040 0.000 1.008 113 D CB 1.886 42.655 40.800 -0.051 0.000 1.398 113 D HN 0.431 nan 8.370 nan 0.000 0.513 114 E N 0.087 120.271 120.200 -0.027 0.000 2.558 114 E HA 0.296 4.646 4.350 0.000 0.000 0.255 114 E C 0.866 177.451 176.600 -0.025 0.000 0.968 114 E CA 1.144 57.531 56.400 -0.022 0.000 0.939 114 E CB 0.576 30.266 29.700 -0.016 0.000 0.921 114 E HN 0.738 nan 8.360 nan 0.000 0.477 115 G N 4.252 113.036 108.800 -0.027 0.000 2.299 115 G HA2 -0.240 3.720 3.960 0.000 0.000 0.237 115 G HA3 -0.240 3.720 3.960 0.000 0.000 0.237 115 G C 0.156 175.033 174.900 -0.039 0.000 1.027 115 G CA 0.089 45.172 45.100 -0.029 0.000 0.619 115 G HN 0.541 nan 8.290 nan 0.000 0.513 116 D N 1.886 122.259 120.400 -0.044 0.000 2.449 116 D HA 0.429 5.069 4.640 0.000 0.000 0.236 116 D C 0.733 176.989 176.300 -0.074 0.000 1.149 116 D CA 0.589 54.555 54.000 -0.056 0.000 0.878 116 D CB 0.589 41.355 40.800 -0.056 0.000 1.198 116 D HN 0.605 nan 8.370 nan 0.000 0.446 117 E N -0.063 120.080 120.200 -0.096 0.000 2.214 117 E HA 0.516 4.866 4.350 0.000 0.000 0.274 117 E C -0.851 175.649 176.600 -0.167 0.000 0.977 117 E CA -0.897 55.420 56.400 -0.138 0.000 0.827 117 E CB 1.984 31.590 29.700 -0.156 0.000 1.130 117 E HN 0.034 nan 8.360 nan 0.000 0.394 118 V N 3.850 123.643 119.914 -0.202 0.000 2.483 118 V HA 0.307 4.427 4.120 0.000 0.000 0.297 118 V C -0.254 175.653 176.094 -0.313 0.000 1.027 118 V CA -0.650 61.525 62.300 -0.210 0.000 0.855 118 V CB 1.274 33.041 31.823 -0.094 0.000 0.995 118 V HN 0.599 nan 8.190 nan 0.000 0.424 119 I N 5.963 126.330 120.570 -0.338 0.000 2.416 119 I HA 0.373 4.543 4.170 0.000 0.000 0.288 119 I C -0.355 175.593 176.117 -0.281 0.000 1.051 119 I CA 0.203 61.286 61.300 -0.362 0.000 1.375 119 I CB 0.725 38.455 38.000 -0.450 0.000 1.407 119 I HN 0.430 nan 8.210 nan 0.000 0.516 120 I N 7.238 127.636 120.570 -0.287 0.000 2.498 120 I HA 0.404 4.575 4.170 0.000 0.000 0.290 120 I C -0.391 175.755 176.117 0.047 0.000 1.032 120 I CA -0.602 60.598 61.300 -0.167 0.000 1.073 120 I CB 2.227 39.995 38.000 -0.387 0.000 1.251 120 I HN 0.381 nan 8.210 nan 0.000 0.426 121 I N 5.581 126.251 120.570 0.166 0.000 2.304 121 I HA 0.243 4.413 4.170 0.000 0.000 0.291 121 I C 0.042 176.364 176.117 0.342 0.000 1.018 121 I CA -0.427 61.023 61.300 0.250 0.000 1.260 121 I CB 0.812 38.959 38.000 0.246 0.000 1.390 121 I HN 0.526 nan 8.210 nan 0.000 0.475 122 E N 8.212 128.590 120.200 0.297 0.000 2.283 122 E HA 0.273 4.623 4.350 0.000 0.000 0.278 122 E C -2.298 174.266 176.600 -0.060 0.000 1.027 122 E CA -1.763 54.673 56.400 0.061 0.000 0.843 122 E CB 0.810 30.463 29.700 -0.078 0.000 1.062 122 E HN 0.313 nan 8.360 nan 0.000 0.401 123 P HA 0.096 nan 4.420 nan 0.000 0.279 123 P C -1.114 176.090 177.300 -0.161 0.000 1.239 123 P CA -0.250 62.501 63.100 -0.581 0.000 0.789 123 P CB 0.293 31.706 31.700 -0.479 0.000 0.933 124 F N 0.967 120.857 119.950 -0.099 0.000 2.508 124 F HA 0.563 5.089 4.527 -0.001 0.000 0.325 124 F C -0.286 175.551 175.800 0.063 0.000 1.090 124 F CA -2.039 56.000 58.000 0.064 0.000 0.945 124 F CB 0.529 39.666 39.000 0.229 0.000 1.156 124 F HN 0.095 nan 8.300 nan 0.000 0.463 125 F N 4.781 124.632 119.950 -0.164 0.000 2.604 125 F HA -0.007 4.522 4.527 0.003 0.000 0.393 125 F C 1.797 177.511 175.800 -0.144 0.000 1.043 125 F CA -0.151 57.692 58.000 -0.260 0.000 1.227 125 F CB 0.352 39.002 39.000 -0.584 0.000 1.016 125 F HN 0.779 nan 8.300 nan 0.000 0.556 126 D N 4.151 124.389 120.400 -0.271 0.000 2.264 126 D HA -0.213 4.428 4.640 0.000 0.000 0.208 126 D C 2.037 178.358 176.300 0.035 0.000 0.966 126 D CA 1.303 55.273 54.000 -0.049 0.000 0.864 126 D CB -0.931 39.796 40.800 -0.122 0.000 0.933 126 D HN 0.641 nan 8.370 nan 0.000 0.499 127 C N -0.423 118.745 119.300 -0.221 0.000 2.456 127 C HA 0.007 4.468 4.460 0.000 0.000 0.279 127 C C 2.412 177.475 174.990 0.122 0.000 1.427 127 C CA -0.381 58.639 59.018 0.004 0.000 1.778 127 C CB -1.741 26.053 27.740 0.089 0.000 1.842 127 C HN 0.118 nan 8.230 nan 0.000 0.531 128 Y N 2.109 122.499 120.300 0.149 0.000 2.224 128 Y HA -0.081 4.470 4.550 0.001 0.000 0.289 128 Y C 2.637 178.399 175.900 -0.230 0.000 1.146 128 Y CA 1.602 59.695 58.100 -0.011 0.000 1.182 128 Y CB -1.182 37.345 38.460 0.111 0.000 0.983 128 Y HN 0.555 nan 8.280 nan 0.000 0.524 129 E N 0.452 120.679 120.200 0.044 0.000 2.015 129 E HA -0.152 4.198 4.350 0.000 0.000 0.191 129 E C -0.618 175.965 176.600 -0.028 0.000 0.991 129 E CA 1.399 57.796 56.400 -0.006 0.000 0.802 129 E CB -0.804 29.007 29.700 0.185 0.000 0.759 129 E HN 0.215 nan 8.360 nan 0.000 0.447 130 P HA -0.148 nan 4.420 nan 0.000 0.218 130 P C 1.511 178.768 177.300 -0.073 0.000 1.149 130 P CA 1.390 64.489 63.100 -0.002 0.000 0.817 130 P CB -0.140 31.582 31.700 0.037 0.000 0.785 131 M N -0.952 118.540 119.600 -0.180 0.000 2.175 131 M HA -0.094 4.387 4.480 0.000 0.000 0.264 131 M C 2.103 178.102 176.300 -0.502 0.000 1.063 131 M CA 1.885 56.981 55.300 -0.339 0.000 1.119 131 M CB -1.204 31.036 32.600 -0.600 0.000 1.377 131 M HN -0.054 nan 8.290 nan 0.000 0.415 132 T N 0.803 115.011 114.554 -0.578 0.000 2.708 132 T HA -0.141 4.210 4.350 0.000 0.000 0.266 132 T C 1.746 176.368 174.700 -0.131 0.000 1.037 132 T CA 1.434 63.356 62.100 -0.297 0.000 1.146 132 T CB -0.191 68.551 68.868 -0.211 0.000 0.865 132 T HN 0.360 nan 8.240 nan 0.000 0.435 133 M N 0.313 119.852 119.600 -0.101 0.000 2.108 133 M HA -0.039 4.441 4.480 0.000 0.000 0.261 133 M C 2.467 178.755 176.300 -0.021 0.000 1.066 133 M CA 1.584 56.860 55.300 -0.040 0.000 1.107 133 M CB -0.442 32.151 32.600 -0.011 0.000 1.356 133 M HN 0.201 nan 8.290 nan 0.000 0.406 134 M N -0.192 119.399 119.600 -0.016 0.000 2.374 134 M HA -0.072 4.408 4.480 0.000 0.000 0.264 134 M C 1.614 177.925 176.300 0.018 0.000 1.067 134 M CA 1.295 56.610 55.300 0.024 0.000 1.103 134 M CB 0.011 32.657 32.600 0.077 0.000 1.402 134 M HN 0.259 nan 8.290 nan 0.000 0.444 135 A N -0.671 122.144 122.820 -0.008 0.000 2.307 135 A HA 0.405 4.725 4.320 0.000 0.000 0.218 135 A C 1.452 179.030 177.584 -0.010 0.000 1.228 135 A CA 0.572 52.605 52.037 -0.007 0.000 0.857 135 A CB -0.740 18.263 19.000 0.006 0.000 0.897 135 A HN 0.717 nan 8.150 nan 0.000 0.495 136 G N -1.639 107.154 108.800 -0.012 0.000 2.179 136 G HA2 -0.087 3.873 3.960 0.000 0.000 0.260 136 G HA3 -0.087 3.873 3.960 0.000 0.000 0.260 136 G C 0.748 175.634 174.900 -0.023 0.000 0.977 136 G CA 0.330 45.421 45.100 -0.014 0.000 0.641 136 G HN 1.384 nan 8.290 nan 0.000 0.533 137 G N -0.769 108.013 108.800 -0.029 0.000 2.572 137 G HA2 0.533 4.493 3.960 0.000 0.000 0.261 137 G HA3 0.533 4.493 3.960 0.000 0.000 0.261 137 G C 0.008 174.872 174.900 -0.060 0.000 1.197 137 G CA -0.136 44.938 45.100 -0.043 0.000 0.870 137 G HN 0.540 nan 8.290 nan 0.000 0.548 138 R N 1.445 121.896 120.500 -0.081 0.000 2.288 138 R HA 0.354 4.695 4.340 0.000 0.000 0.326 138 R C -2.537 173.657 176.300 -0.177 0.000 0.959 138 R CA -1.666 54.377 56.100 -0.095 0.000 0.834 138 R CB 1.449 31.704 30.300 -0.074 0.000 1.157 138 R HN 0.231 nan 8.270 nan 0.000 0.470 139 P HA 0.026 nan 4.420 nan 0.000 0.271 139 P C -1.053 175.856 177.300 -0.653 0.000 1.216 139 P CA -0.187 62.600 63.100 -0.521 0.000 0.771 139 P CB 1.091 32.438 31.700 -0.590 0.000 0.864 140 V N 4.831 124.301 119.914 -0.740 0.000 2.483 140 V HA 0.396 4.516 4.120 0.000 0.000 0.297 140 V C -0.458 175.287 176.094 -0.581 0.000 1.027 140 V CA -0.351 61.647 62.300 -0.503 0.000 0.855 140 V CB 0.803 32.447 31.823 -0.299 0.000 0.995 140 V HN 0.325 nan 8.190 nan 0.000 0.424 141 F N 3.802 123.732 119.950 -0.033 0.000 2.443 141 F HA 0.702 5.229 4.527 -0.000 0.000 0.335 141 F C 0.110 175.973 175.800 0.105 0.000 1.104 141 F CA -0.833 57.183 58.000 0.026 0.000 1.013 141 F CB 1.924 40.961 39.000 0.062 0.000 1.136 141 F HN 0.281 nan 8.300 nan 0.000 0.470 142 V N 2.630 122.712 119.914 0.280 0.000 2.540 142 V HA 0.587 4.708 4.120 0.000 0.000 0.302 142 V C -0.775 175.484 176.094 0.276 0.000 1.035 142 V CA -0.352 62.096 62.300 0.247 0.000 0.873 142 V CB 1.980 33.900 31.823 0.161 0.000 0.992 142 V HN 0.764 nan 8.190 nan 0.000 0.428 143 S N 7.284 123.138 115.700 0.257 0.000 2.442 143 S HA 0.585 5.055 4.470 0.000 0.000 0.297 143 S C -0.283 174.445 174.600 0.213 0.000 1.131 143 S CA -0.490 57.845 58.200 0.225 0.000 1.092 143 S CB 1.105 64.429 63.200 0.206 0.000 0.998 143 S HN 0.680 nan 8.310 nan 0.000 0.478 144 L N 2.849 124.216 121.223 0.240 0.000 2.525 144 L HA 0.136 4.476 4.340 0.000 0.000 0.278 144 L C 0.283 177.279 176.870 0.210 0.000 1.218 144 L CA 0.094 55.095 54.840 0.268 0.000 0.878 144 L CB 0.090 42.389 42.059 0.400 0.000 1.127 144 L HN 0.428 nan 8.230 nan 0.000 0.492 145 K N 4.537 124.986 120.400 0.082 0.000 2.281 145 K HA 0.331 4.651 4.320 0.000 0.000 0.272 145 K C -2.371 174.011 176.600 -0.364 0.000 1.048 145 K CA -1.658 54.589 56.287 -0.067 0.000 0.898 145 K CB 1.035 33.522 32.500 -0.022 0.000 1.128 145 K HN 0.125 nan 8.250 nan 0.000 0.460 146 P HA -0.036 nan 4.420 nan 0.000 0.264 146 P C -0.005 176.945 177.300 -0.582 0.000 1.183 146 P CA 0.016 62.247 63.100 -1.449 0.000 0.763 146 P CB 0.666 31.678 31.700 -1.147 0.000 0.807 147 G N 4.264 112.824 108.800 -0.400 0.000 2.432 147 G HA2 0.282 4.242 3.960 0.000 0.000 0.239 147 G HA3 0.282 4.242 3.960 0.000 0.000 0.239 147 G C -2.325 172.544 174.900 -0.053 0.000 1.291 147 G CA -0.725 44.317 45.100 -0.098 0.000 0.863 147 G HN 0.342 nan 8.290 nan 0.000 0.560 148 P HA 0.206 nan 4.420 nan 0.000 0.271 148 P C 0.117 177.429 177.300 0.020 0.000 1.226 148 P CA -0.074 63.019 63.100 -0.012 0.000 0.765 148 P CB 0.680 32.368 31.700 -0.019 0.000 0.835 149 I N 0.610 121.200 120.570 0.034 0.000 2.359 149 I HA 0.406 4.576 4.170 0.000 0.000 0.294 149 I C 0.112 176.245 176.117 0.027 0.000 0.987 149 I CA -1.016 60.314 61.300 0.050 0.000 1.225 149 I CB 1.187 39.239 38.000 0.086 0.000 1.366 149 I HN 0.296 nan 8.210 nan 0.000 0.466 150 Q N 4.142 123.957 119.800 0.025 0.000 2.241 150 Q HA 0.271 4.612 4.340 0.000 0.000 0.254 150 Q C -0.576 175.432 176.000 0.014 0.000 0.917 150 Q CA -0.579 55.232 55.803 0.013 0.000 0.919 150 Q CB 1.758 30.502 28.738 0.011 0.000 1.237 150 Q HN 0.746 nan 8.270 nan 0.000 0.434 151 N N 1.979 120.681 118.700 0.004 0.000 2.626 151 N HA -0.014 4.726 4.740 0.000 0.000 0.193 151 N C 1.159 176.670 175.510 0.001 0.000 1.213 151 N CA 1.006 54.056 53.050 0.001 0.000 0.914 151 N CB 0.020 38.501 38.487 -0.011 0.000 0.994 151 N HN 0.793 nan 8.380 nan 0.000 0.447 152 G N -0.245 108.557 108.800 0.004 0.000 2.518 152 G HA2 -0.084 3.876 3.960 0.000 0.000 0.213 152 G HA3 -0.084 3.876 3.960 0.000 0.000 0.213 152 G C 0.143 175.048 174.900 0.008 0.000 1.226 152 G CA 0.136 45.238 45.100 0.004 0.000 0.822 152 G HN 0.561 nan 8.290 nan 0.000 0.546 153 E N -0.072 120.137 120.200 0.016 0.000 2.202 153 E HA 0.595 4.945 4.350 0.000 0.000 0.272 153 E C -0.577 176.044 176.600 0.035 0.000 0.951 153 E CA -0.883 55.530 56.400 0.022 0.000 0.813 153 E CB 1.875 31.589 29.700 0.023 0.000 1.151 153 E HN 0.110 nan 8.360 nan 0.000 0.398 154 L N 2.176 123.421 121.223 0.037 0.000 2.461 154 L HA 0.263 4.604 4.340 0.000 0.000 0.272 154 L C 1.096 178.013 176.870 0.078 0.000 1.197 154 L CA -0.085 54.790 54.840 0.057 0.000 0.836 154 L CB 0.312 42.398 42.059 0.046 0.000 1.105 154 L HN 0.832 nan 8.230 nan 0.000 0.477 155 G N 0.948 109.818 108.800 0.117 0.000 2.594 155 G HA2 0.273 4.233 3.960 0.000 0.000 0.243 155 G HA3 0.273 4.233 3.960 0.000 0.000 0.243 155 G C -0.419 174.565 174.900 0.140 0.000 1.229 155 G CA -0.234 44.959 45.100 0.155 0.000 0.843 155 G HN 0.521 nan 8.290 nan 0.000 0.578 156 S N -0.752 115.038 115.700 0.150 0.000 2.503 156 S HA 0.418 4.888 4.470 0.000 0.000 0.301 156 S C 1.428 176.099 174.600 0.118 0.000 1.087 156 S CA -0.293 57.965 58.200 0.097 0.000 1.042 156 S CB 1.725 64.970 63.200 0.076 0.000 1.043 156 S HN 0.480 nan 8.310 nan 0.000 0.489 157 S N 2.731 118.418 115.700 -0.021 0.000 2.420 157 S HA -0.144 4.326 4.470 0.000 0.000 0.237 157 S C 2.131 176.715 174.600 -0.027 0.000 1.023 157 S CA 1.745 59.851 58.200 -0.157 0.000 0.991 157 S CB -0.504 62.563 63.200 -0.222 0.000 0.792 157 S HN 0.951 nan 8.310 nan 0.000 0.488 158 S N 2.676 118.373 115.700 -0.004 0.000 2.419 158 S HA -0.084 4.387 4.470 0.000 0.000 0.233 158 S C 1.353 176.003 174.600 0.084 0.000 1.016 158 S CA 0.934 59.142 58.200 0.013 0.000 0.974 158 S CB -0.437 62.787 63.200 0.040 0.000 0.786 158 S HN 0.482 nan 8.310 nan 0.000 0.492 159 N N 0.143 118.945 118.700 0.169 0.000 2.461 159 N HA 0.057 4.797 4.740 0.000 0.000 0.188 159 N C -0.905 174.737 175.510 0.219 0.000 1.134 159 N CA 0.272 53.426 53.050 0.173 0.000 0.878 159 N CB -0.269 38.315 38.487 0.162 0.000 0.972 159 N HN 0.527 nan 8.380 nan 0.000 0.456 160 W N 2.859 124.143 121.300 -0.028 0.000 2.485 160 W HA 0.239 4.899 4.660 -0.000 0.000 0.315 160 W C 0.373 176.861 176.519 -0.053 0.000 1.304 160 W CA -0.360 56.973 57.345 -0.020 0.000 1.345 160 W CB 0.307 29.750 29.460 -0.029 0.000 1.368 160 W HN -0.185 nan 8.180 nan 0.000 0.497 161 Q N 3.172 123.035 119.800 0.106 0.000 2.241 161 Q HA 0.306 4.646 4.340 0.000 0.000 0.254 161 Q C -0.681 175.365 176.000 0.076 0.000 0.917 161 Q CA -1.261 54.576 55.803 0.057 0.000 0.919 161 Q CB 2.269 31.027 28.738 0.033 0.000 1.237 161 Q HN 0.391 nan 8.270 nan 0.000 0.434 162 L N 3.130 124.392 121.223 0.065 0.000 2.288 162 L HA 0.195 4.535 4.340 0.000 0.000 0.283 162 L C -0.490 176.442 176.870 0.103 0.000 1.072 162 L CA -0.257 54.651 54.840 0.114 0.000 0.862 162 L CB 0.246 42.398 42.059 0.156 0.000 1.245 162 L HN 0.473 nan 8.230 nan 0.000 0.432 163 D N 5.977 126.436 120.400 0.098 0.000 2.434 163 D HA 0.103 4.744 4.640 0.000 0.000 0.252 163 D C -1.608 174.747 176.300 0.092 0.000 1.185 163 D CA -0.952 53.096 54.000 0.081 0.000 0.886 163 D CB 1.350 42.193 40.800 0.072 0.000 1.148 163 D HN 0.386 nan 8.370 nan 0.000 0.483 164 P HA -0.188 nan 4.420 nan 0.000 0.215 164 P C 1.400 178.749 177.300 0.081 0.000 1.153 164 P CA 1.132 64.279 63.100 0.078 0.000 0.853 164 P CB 0.120 31.854 31.700 0.056 0.000 0.788 165 M N -1.041 118.601 119.600 0.070 0.000 2.156 165 M HA -0.116 4.364 4.480 0.000 0.000 0.264 165 M C 2.181 178.533 176.300 0.087 0.000 1.067 165 M CA 1.587 56.929 55.300 0.070 0.000 1.131 165 M CB -1.552 31.080 32.600 0.054 0.000 1.368 165 M HN 0.047 nan 8.290 nan 0.000 0.416 166 E N 0.418 120.672 120.200 0.090 0.000 2.051 166 E HA -0.230 4.120 4.350 0.000 0.000 0.192 166 E C 2.029 178.706 176.600 0.128 0.000 0.991 166 E CA 1.127 57.588 56.400 0.101 0.000 0.799 166 E CB -0.042 29.718 29.700 0.100 0.000 0.748 166 E HN 0.250 nan 8.360 nan 0.000 0.449 167 L N 0.862 122.174 121.223 0.149 0.000 2.017 167 L HA -0.111 4.230 4.340 0.000 0.000 0.208 167 L C 2.289 179.332 176.870 0.289 0.000 1.073 167 L CA 2.309 57.272 54.840 0.205 0.000 0.745 167 L CB -0.851 41.341 42.059 0.221 0.000 0.894 167 L HN 0.176 nan 8.230 nan 0.000 0.432 168 A N -0.473 122.477 122.820 0.216 0.000 1.940 168 A HA -0.145 4.175 4.320 0.000 0.000 0.219 168 A C 2.285 180.002 177.584 0.221 0.000 1.176 168 A CA 1.652 53.809 52.037 0.199 0.000 0.631 168 A CB -1.655 17.405 19.000 0.100 0.000 0.814 168 A HN 0.566 nan 8.150 nan 0.000 0.446 169 G N -0.994 107.900 108.800 0.158 0.000 2.559 169 G HA2 -0.108 3.852 3.960 0.000 0.000 0.216 169 G HA3 -0.108 3.852 3.960 0.000 0.000 0.216 169 G C 1.421 176.377 174.900 0.094 0.000 1.126 169 G CA 0.779 45.948 45.100 0.116 0.000 0.778 169 G HN 0.399 nan 8.290 nan 0.000 0.543 170 K N -0.034 120.427 120.400 0.101 0.000 2.305 170 K HA 0.136 4.456 4.320 0.000 0.000 0.199 170 K C 0.158 176.669 176.600 -0.147 0.000 1.047 170 K CA -0.231 56.038 56.287 -0.030 0.000 0.976 170 K CB -0.135 32.308 32.500 -0.095 0.000 0.765 170 K HN 0.354 nan 8.250 nan 0.000 0.474 171 F N 1.705 121.535 119.950 -0.199 0.000 2.443 171 F HA 0.058 4.585 4.527 0.001 0.000 0.353 171 F C 1.384 176.980 175.800 -0.341 0.000 1.101 171 F CA 0.067 57.824 58.000 -0.406 0.000 1.226 171 F CB 0.825 39.291 39.000 -0.889 0.000 1.140 171 F HN -0.077 nan 8.300 nan 0.000 0.557 172 T N -2.238 112.250 114.554 -0.110 0.000 2.778 172 T HA 0.260 4.610 4.350 0.000 0.000 0.293 172 T C 0.813 175.537 174.700 0.039 0.000 1.144 172 T CA -0.146 61.945 62.100 -0.014 0.000 1.010 172 T CB 1.125 69.979 68.868 -0.023 0.000 1.325 172 T HN 0.447 nan 8.240 nan 0.000 0.515 173 S N -0.324 115.414 115.700 0.064 0.000 2.474 173 S HA -0.042 4.428 4.470 0.000 0.000 0.235 173 S C 1.614 176.231 174.600 0.029 0.000 0.997 173 S CA 0.318 58.559 58.200 0.069 0.000 0.949 173 S CB -0.574 62.657 63.200 0.053 0.000 0.766 173 S HN 0.693 nan 8.310 nan 0.000 0.517 174 R N 0.869 121.367 120.500 -0.003 0.000 2.300 174 R HA 0.142 4.482 4.340 0.000 0.000 0.199 174 R C -0.092 176.175 176.300 -0.056 0.000 0.920 174 R CA 0.297 56.380 56.100 -0.028 0.000 1.046 174 R CB -0.098 30.180 30.300 -0.037 0.000 0.984 174 R HN 0.324 nan 8.270 nan 0.000 0.493 175 T N 1.618 116.130 114.554 -0.069 0.000 2.793 175 T HA -0.004 4.347 4.350 0.000 0.000 0.289 175 T C 0.922 175.580 174.700 -0.069 0.000 0.956 175 T CA 0.340 62.367 62.100 -0.122 0.000 1.177 175 T CB 1.266 70.015 68.868 -0.198 0.000 0.897 175 T HN 0.014 nan 8.240 nan 0.000 0.533 176 K N 2.583 122.926 120.400 -0.095 0.000 2.168 176 K HA 0.457 4.777 4.320 0.000 0.000 0.201 176 K C 0.438 176.978 176.600 -0.100 0.000 1.049 176 K CA 0.453 56.691 56.287 -0.081 0.000 0.974 176 K CB 0.409 32.857 32.500 -0.086 0.000 0.792 176 K HN 0.705 nan 8.250 nan 0.000 0.463 177 A N 0.080 122.815 122.820 -0.141 0.000 2.587 177 A HA 0.626 4.946 4.320 0.000 0.000 0.293 177 A C -1.901 175.559 177.584 -0.207 0.000 1.087 177 A CA -0.756 51.179 52.037 -0.170 0.000 0.692 177 A CB 1.050 19.916 19.000 -0.224 0.000 1.291 177 A HN 0.202 nan 8.150 nan 0.000 0.407 178 L N 1.547 122.654 121.223 -0.194 0.000 2.362 178 L HA 0.770 5.110 4.340 0.000 0.000 0.275 178 L C -1.414 175.319 176.870 -0.228 0.000 0.998 178 L CA -0.794 53.921 54.840 -0.208 0.000 0.820 178 L CB 1.948 43.929 42.059 -0.130 0.000 1.270 178 L HN 0.484 nan 8.230 nan 0.000 0.415 179 V N 5.653 125.415 119.914 -0.254 0.000 2.350 179 V HA 0.346 4.466 4.120 0.000 0.000 0.276 179 V C -0.232 175.697 176.094 -0.274 0.000 1.028 179 V CA -0.469 61.621 62.300 -0.350 0.000 0.860 179 V CB 1.272 32.776 31.823 -0.532 0.000 0.990 179 V HN 0.565 nan 8.190 nan 0.000 0.453 180 L N 5.400 126.455 121.223 -0.280 0.000 2.296 180 L HA 0.548 4.888 4.340 0.000 0.000 0.286 180 L C -0.182 176.539 176.870 -0.248 0.000 1.023 180 L CA 0.154 54.821 54.840 -0.289 0.000 0.812 180 L CB 1.381 43.246 42.059 -0.322 0.000 1.223 180 L HN 0.730 nan 8.230 nan 0.000 0.421 181 N N 3.104 121.696 118.700 -0.180 0.000 2.483 181 N HA 0.407 5.147 4.740 0.000 0.000 0.267 181 N C -1.528 173.934 175.510 -0.080 0.000 0.998 181 N CA -0.142 52.885 53.050 -0.039 0.000 0.918 181 N CB 1.092 39.702 38.487 0.206 0.000 1.215 181 N HN 0.685 nan 8.380 nan 0.000 0.500 182 T N 3.342 117.863 114.554 -0.055 0.000 3.032 182 T HA 0.411 4.761 4.350 0.000 0.000 0.312 182 T C -2.919 171.884 174.700 0.173 0.000 1.078 182 T CA -1.293 60.848 62.100 0.068 0.000 1.028 182 T CB 1.550 70.409 68.868 -0.015 0.000 1.091 182 T HN 0.284 nan 8.240 nan 0.000 0.457 183 P HA 0.136 nan 4.420 nan 0.000 0.267 183 P C -0.563 176.833 177.300 0.160 0.000 1.200 183 P CA -0.339 62.862 63.100 0.168 0.000 0.772 183 P CB 0.405 32.160 31.700 0.093 0.000 0.855 184 N N 3.044 121.832 118.700 0.146 0.000 2.488 184 N HA 0.023 4.763 4.740 0.000 0.000 0.274 184 N C -0.622 174.889 175.510 0.002 0.000 1.111 184 N CA -0.042 53.074 53.050 0.110 0.000 0.974 184 N CB 0.045 38.625 38.487 0.156 0.000 1.089 184 N HN 0.254 nan 8.380 nan 0.000 0.465 185 N N 4.265 122.960 118.700 -0.009 0.000 2.419 185 N HA 0.353 5.093 4.740 0.000 0.000 0.277 185 N C -2.069 173.206 175.510 -0.390 0.000 1.006 185 N CA -2.079 50.870 53.050 -0.168 0.000 0.923 185 N CB 1.556 40.038 38.487 -0.008 0.000 1.140 185 N HN 0.403 nan 8.380 nan 0.000 0.488 186 P HA 0.045 nan 4.420 nan 0.000 0.257 186 P C 1.069 178.153 177.300 -0.360 0.000 1.241 186 P CA 0.034 62.700 63.100 -0.724 0.000 0.816 186 P CB 0.646 31.715 31.700 -1.053 0.000 1.150 187 L N 0.237 121.261 121.223 -0.333 0.000 2.209 187 L HA 0.365 4.705 4.340 0.000 0.000 0.207 187 L C 1.518 178.250 176.870 -0.229 0.000 1.094 187 L CA 1.996 56.606 54.840 -0.382 0.000 0.790 187 L CB -1.109 40.618 42.059 -0.553 0.000 0.932 187 L HN 0.237 nan 8.230 nan 0.000 0.447 188 G N 0.040 108.773 108.800 -0.111 0.000 2.141 188 G HA2 -0.349 3.611 3.960 0.000 0.000 0.242 188 G HA3 -0.349 3.611 3.960 0.000 0.000 0.242 188 G C 0.490 175.363 174.900 -0.046 0.000 0.982 188 G CA 0.421 45.504 45.100 -0.027 0.000 0.662 188 G HN 0.505 nan 8.290 nan 0.000 0.527 189 K N 0.498 120.852 120.400 -0.076 0.000 2.350 189 K HA 0.459 4.779 4.320 0.000 0.000 0.279 189 K C 0.075 176.713 176.600 0.063 0.000 1.027 189 K CA -0.336 55.910 56.287 -0.068 0.000 0.969 189 K CB 0.659 33.077 32.500 -0.137 0.000 0.954 189 K HN 0.032 nan 8.250 nan 0.000 0.474 190 V N 6.324 126.254 119.914 0.027 0.000 2.328 190 V HA 0.216 4.336 4.120 0.000 0.000 0.278 190 V C -0.431 175.762 176.094 0.165 0.000 1.021 190 V CA -0.737 61.643 62.300 0.134 0.000 0.838 190 V CB 0.244 32.112 31.823 0.075 0.000 0.999 190 V HN 0.607 nan 8.190 nan 0.000 0.447 191 F N 3.592 123.557 119.950 0.025 0.000 2.529 191 F HA 0.223 4.750 4.527 -0.000 0.000 0.365 191 F C 1.360 177.175 175.800 0.025 0.000 1.102 191 F CA 0.251 58.268 58.000 0.028 0.000 1.271 191 F CB 0.824 39.832 39.000 0.013 0.000 1.120 191 F HN 0.607 nan 8.300 nan 0.000 0.579 192 S N 3.772 119.556 115.700 0.139 0.000 2.614 192 S HA 0.274 4.744 4.470 0.000 0.000 0.265 192 S C 1.430 176.088 174.600 0.097 0.000 1.303 192 S CA -0.730 57.531 58.200 0.102 0.000 1.000 192 S CB 1.033 64.273 63.200 0.067 0.000 0.935 192 S HN 0.770 nan 8.310 nan 0.000 0.551 193 R N 0.597 121.132 120.500 0.059 0.000 2.083 193 R HA -0.178 4.162 4.340 0.000 0.000 0.237 193 R C 2.314 178.645 176.300 0.052 0.000 1.137 193 R CA 2.020 58.146 56.100 0.043 0.000 0.951 193 R CB -0.540 29.774 30.300 0.025 0.000 0.851 193 R HN 0.939 nan 8.270 nan 0.000 0.434 194 E N 0.225 120.456 120.200 0.051 0.000 2.085 194 E HA -0.237 4.113 4.350 0.000 0.000 0.194 194 E C 1.654 178.297 176.600 0.072 0.000 0.994 194 E CA 1.705 58.135 56.400 0.050 0.000 0.801 194 E CB 0.058 29.783 29.700 0.041 0.000 0.743 194 E HN 0.487 nan 8.360 nan 0.000 0.453 195 E N 0.229 120.489 120.200 0.100 0.000 2.110 195 E HA -0.176 4.174 4.350 0.000 0.000 0.193 195 E C 2.240 178.956 176.600 0.193 0.000 0.988 195 E CA 1.044 57.541 56.400 0.161 0.000 0.804 195 E CB -0.031 29.785 29.700 0.193 0.000 0.745 195 E HN 0.343 nan 8.360 nan 0.000 0.458 196 L N 0.721 122.039 121.223 0.159 0.000 2.156 196 L HA -0.143 4.197 4.340 0.000 0.000 0.208 196 L C 2.203 179.107 176.870 0.057 0.000 1.095 196 L CA 1.008 55.905 54.840 0.095 0.000 0.770 196 L CB -0.306 41.782 42.059 0.048 0.000 0.914 196 L HN 0.110 nan 8.230 nan 0.000 0.439 197 E N 0.160 120.390 120.200 0.051 0.000 2.150 197 E HA -0.241 4.109 4.350 0.000 0.000 0.193 197 E C 2.067 178.685 176.600 0.030 0.000 0.985 197 E CA 0.928 57.347 56.400 0.031 0.000 0.814 197 E CB -0.076 29.639 29.700 0.025 0.000 0.752 197 E HN 0.265 nan 8.360 nan 0.000 0.466 198 L N 0.590 121.843 121.223 0.050 0.000 1.994 198 L HA -0.163 4.178 4.340 0.000 0.000 0.208 198 L C 2.193 179.091 176.870 0.046 0.000 1.071 198 L CA 1.490 56.359 54.840 0.049 0.000 0.745 198 L CB -0.457 41.648 42.059 0.078 0.000 0.892 198 L HN -0.069 nan 8.230 nan 0.000 0.431 199 V N 0.409 120.371 119.914 0.081 0.000 2.287 199 V HA -0.310 3.811 4.120 0.000 0.000 0.248 199 V C 2.858 178.976 176.094 0.041 0.000 1.053 199 V CA 1.729 64.083 62.300 0.090 0.000 1.027 199 V CB -1.497 30.378 31.823 0.086 0.000 0.646 199 V HN 0.645 nan 8.190 nan 0.000 0.447 200 A N 0.803 123.635 122.820 0.020 0.000 1.908 200 A HA -0.245 4.075 4.320 0.000 0.000 0.218 200 A C 2.580 180.151 177.584 -0.023 0.000 1.181 200 A CA 2.555 54.593 52.037 0.002 0.000 0.627 200 A CB -0.884 18.118 19.000 0.004 0.000 0.818 200 A HN 0.705 nan 8.150 nan 0.000 0.445 201 S N 0.001 115.681 115.700 -0.033 0.000 2.368 201 S HA -0.123 4.347 4.470 0.000 0.000 0.225 201 S C 1.899 176.426 174.600 -0.121 0.000 1.030 201 S CA 1.597 59.760 58.200 -0.062 0.000 0.999 201 S CB -0.735 62.435 63.200 -0.050 0.000 0.844 201 S HN 0.433 nan 8.310 nan 0.000 0.459 202 L N 0.569 121.682 121.223 -0.184 0.000 2.109 202 L HA -0.025 4.315 4.340 0.000 0.000 0.207 202 L C 2.918 179.568 176.870 -0.366 0.000 1.086 202 L CA 0.865 55.449 54.840 -0.427 0.000 0.760 202 L CB -0.743 40.819 42.059 -0.829 0.000 0.910 202 L HN 0.437 nan 8.230 nan 0.000 0.437 203 C N -0.429 118.800 119.300 -0.119 0.000 2.425 203 C HA -0.162 4.298 4.460 0.000 0.000 0.277 203 C C 2.856 177.857 174.990 0.018 0.000 1.280 203 C CA 0.707 59.760 59.018 0.058 0.000 1.744 203 C CB -0.748 27.041 27.740 0.082 0.000 1.989 203 C HN 0.536 nan 8.230 nan 0.000 0.491 204 Q N -0.044 119.738 119.800 -0.031 0.000 2.079 204 Q HA -0.235 4.105 4.340 0.000 0.000 0.200 204 Q C 2.334 178.291 176.000 -0.071 0.000 0.974 204 Q CA 1.341 57.122 55.803 -0.036 0.000 0.840 204 Q CB -0.319 28.396 28.738 -0.038 0.000 0.898 204 Q HN 0.714 nan 8.270 nan 0.000 0.430 205 Q N 0.076 119.795 119.800 -0.134 0.000 2.096 205 Q HA -0.202 4.139 4.340 0.000 0.000 0.204 205 Q C 1.274 177.097 176.000 -0.295 0.000 0.982 205 Q CA 1.260 56.917 55.803 -0.243 0.000 0.850 205 Q CB 0.140 28.669 28.738 -0.349 0.000 0.901 205 Q HN 0.533 nan 8.270 nan 0.000 0.422 206 H N -0.525 118.490 119.070 -0.091 0.000 2.551 206 H HA 0.049 4.605 4.556 0.001 0.000 0.271 206 H C -0.249 175.099 175.328 0.034 0.000 0.984 206 H CA 0.635 56.682 56.048 -0.002 0.000 1.164 206 H CB 0.445 30.262 29.762 0.090 0.000 1.437 206 H HN 0.357 nan 8.280 nan 0.000 0.550 207 D N 1.089 121.543 120.400 0.090 0.000 2.828 207 D HA -0.165 4.475 4.640 0.000 0.000 0.241 207 D C -0.957 175.394 176.300 0.085 0.000 1.142 207 D CA 0.221 54.259 54.000 0.063 0.000 0.755 207 D CB -1.297 39.525 40.800 0.035 0.000 1.014 207 D HN 0.012 nan 8.370 nan 0.000 0.420 208 V N 0.988 120.968 119.914 0.110 0.000 2.715 208 V HA 0.555 4.675 4.120 0.000 0.000 0.310 208 V C 0.685 176.797 176.094 0.029 0.000 1.054 208 V CA -0.991 61.367 62.300 0.097 0.000 0.928 208 V CB 2.243 34.208 31.823 0.236 0.000 1.007 208 V HN 0.101 nan 8.190 nan 0.000 0.437 209 V N 2.686 122.578 119.914 -0.037 0.000 2.498 209 V HA 0.207 4.327 4.120 0.000 0.000 0.279 209 V C 0.212 176.236 176.094 -0.118 0.000 1.048 209 V CA -0.340 61.903 62.300 -0.096 0.000 0.967 209 V CB 1.355 33.090 31.823 -0.147 0.000 0.988 209 V HN 1.028 nan 8.190 nan 0.000 0.473 210 C N 7.542 126.767 119.300 -0.125 0.000 2.265 210 C HA 0.559 5.019 4.460 0.000 0.000 0.332 210 C C 0.134 174.996 174.990 -0.212 0.000 1.248 210 C CA -0.736 58.195 59.018 -0.145 0.000 1.727 210 C CB -1.325 26.353 27.740 -0.103 0.000 2.348 210 C HN 0.777 nan 8.230 nan 0.000 0.519 211 I N 5.953 126.361 120.570 -0.271 0.000 2.301 211 I HA 0.220 4.390 4.170 0.000 0.000 0.292 211 I C 0.683 176.620 176.117 -0.300 0.000 1.046 211 I CA 0.498 61.602 61.300 -0.328 0.000 1.282 211 I CB 1.239 38.956 38.000 -0.470 0.000 1.409 211 I HN 0.620 nan 8.210 nan 0.000 0.484 212 T N 4.674 119.080 114.554 -0.247 0.000 2.788 212 T HA 0.144 4.494 4.350 0.000 0.000 0.296 212 T C -0.539 174.043 174.700 -0.197 0.000 1.009 212 T CA -0.648 61.324 62.100 -0.214 0.000 0.949 212 T CB 0.394 69.159 68.868 -0.172 0.000 0.946 212 T HN 0.468 nan 8.240 nan 0.000 0.453 213 D N 4.227 124.514 120.400 -0.189 0.000 2.411 213 D HA 0.175 4.815 4.640 0.000 0.000 0.225 213 D C 0.388 176.595 176.300 -0.156 0.000 1.156 213 D CA -0.243 53.652 54.000 -0.174 0.000 0.874 213 D CB 0.825 41.572 40.800 -0.089 0.000 1.034 213 D HN 0.648 nan 8.370 nan 0.000 0.502 214 E N 2.732 122.819 120.200 -0.189 0.000 2.609 214 E HA 0.037 4.388 4.350 0.000 0.000 0.208 214 E C 1.801 178.218 176.600 -0.304 0.000 1.013 214 E CA -0.089 56.218 56.400 -0.155 0.000 1.093 214 E CB 0.775 30.447 29.700 -0.046 0.000 1.129 214 E HN 0.436 nan 8.360 nan 0.000 0.450 215 V N -1.722 117.947 119.914 -0.409 0.000 2.469 215 V HA -0.262 3.858 4.120 0.000 0.000 0.251 215 V C 1.333 177.053 176.094 -0.624 0.000 1.064 215 V CA 1.382 63.335 62.300 -0.578 0.000 1.066 215 V CB -0.796 30.564 31.823 -0.770 0.000 0.667 215 V HN 0.289 nan 8.190 nan 0.000 0.461 216 Y N 1.001 121.137 120.300 -0.273 0.000 2.495 216 Y HA 0.260 4.810 4.550 -0.001 0.000 0.293 216 Y C 2.359 178.056 175.900 -0.338 0.000 1.186 216 Y CA 0.197 58.141 58.100 -0.260 0.000 1.266 216 Y CB -0.769 37.553 38.460 -0.230 0.000 1.101 216 Y HN 0.390 nan 8.280 nan 0.000 0.517 217 Q N -0.127 119.374 119.800 -0.498 0.000 2.182 217 Q HA -0.269 4.072 4.340 0.000 0.000 0.213 217 Q C 0.938 176.414 176.000 -0.873 0.000 1.000 217 Q CA 2.942 58.093 55.803 -1.087 0.000 0.889 217 Q CB -0.279 27.684 28.738 -1.292 0.000 0.932 217 Q HN 0.661 nan 8.270 nan 0.000 0.415 218 W N -0.754 120.411 121.300 -0.224 0.000 2.863 218 W HA 0.170 4.830 4.660 -0.000 0.000 0.258 218 W C 0.316 176.785 176.519 -0.084 0.000 1.298 218 W CA -0.552 56.682 57.345 -0.185 0.000 1.451 218 W CB 0.404 29.637 29.460 -0.378 0.000 1.107 218 W HN 0.072 nan 8.180 nan 0.000 0.641 219 M N 2.321 121.956 119.600 0.058 0.000 3.176 219 M HA 0.227 4.707 4.480 0.000 0.000 0.284 219 M C -0.265 175.760 176.300 -0.457 0.000 1.392 219 M CA -0.484 54.770 55.300 -0.076 0.000 1.520 219 M CB -1.379 31.300 32.600 0.133 0.000 1.100 219 M HN -0.192 nan 8.290 nan 0.000 0.555 220 V N 0.084 119.692 119.914 -0.509 0.000 2.735 220 V HA 0.782 4.902 4.120 0.000 0.000 0.310 220 V C -1.302 174.471 176.094 -0.534 0.000 1.061 220 V CA -0.848 61.149 62.300 -0.505 0.000 0.913 220 V CB 2.072 33.826 31.823 -0.114 0.000 1.005 220 V HN 0.504 nan 8.190 nan 0.000 0.428 221 Y N 0.365 120.726 120.300 0.102 0.000 2.633 221 Y HA 0.663 5.213 4.550 -0.000 0.000 0.339 221 Y C 0.477 176.462 175.900 0.143 0.000 1.045 221 Y CA -1.055 57.093 58.100 0.080 0.000 1.098 221 Y CB 0.983 39.454 38.460 0.018 0.000 1.296 221 Y HN 0.770 nan 8.280 nan 0.000 0.494 222 D N 0.381 120.956 120.400 0.291 0.000 2.837 222 D HA -0.165 4.476 4.640 0.000 0.000 0.230 222 D C 1.249 177.676 176.300 0.211 0.000 1.152 222 D CA 1.924 56.068 54.000 0.239 0.000 0.736 222 D CB -1.299 39.666 40.800 0.276 0.000 1.084 222 D HN 1.146 nan 8.370 nan 0.000 0.429 223 G N -0.906 107.983 108.800 0.149 0.000 2.179 223 G HA2 -0.356 3.605 3.960 0.000 0.000 0.260 223 G HA3 -0.356 3.605 3.960 0.000 0.000 0.260 223 G C 0.247 175.152 174.900 0.010 0.000 0.977 223 G CA 0.467 45.600 45.100 0.056 0.000 0.641 223 G HN 0.664 nan 8.290 nan 0.000 0.533 224 H N 0.948 120.049 119.070 0.052 0.000 2.732 224 H HA 0.302 4.859 4.556 0.001 0.000 0.351 224 H C 0.222 175.573 175.328 0.039 0.000 1.090 224 H CA 0.416 56.490 56.048 0.043 0.000 1.431 224 H CB 0.688 30.476 29.762 0.044 0.000 1.447 224 H HN 0.272 nan 8.280 nan 0.000 0.582 225 Q N 2.077 121.952 119.800 0.125 0.000 2.316 225 Q HA 0.103 4.443 4.340 0.000 0.000 0.264 225 Q C -0.391 175.672 176.000 0.104 0.000 0.987 225 Q CA -0.799 55.062 55.803 0.096 0.000 0.852 225 Q CB 1.925 30.695 28.738 0.055 0.000 1.287 225 Q HN 0.609 nan 8.270 nan 0.000 0.448 226 H N 2.293 121.356 119.070 -0.011 0.000 2.899 226 H HA 0.295 4.851 4.556 0.000 0.000 0.303 226 H C -0.742 174.566 175.328 -0.033 0.000 1.042 226 H CA 0.289 56.307 56.048 -0.049 0.000 1.479 226 H CB 0.094 29.759 29.762 -0.162 0.000 1.493 226 H HN 0.460 nan 8.280 nan 0.000 0.534 227 I N 4.218 124.524 120.570 -0.440 0.000 2.404 227 I HA 0.172 4.342 4.170 0.000 0.000 0.293 227 I C -0.130 175.679 176.117 -0.512 0.000 0.992 227 I CA -0.617 60.483 61.300 -0.333 0.000 1.149 227 I CB 1.836 39.756 38.000 -0.133 0.000 1.315 227 I HN 0.531 nan 8.210 nan 0.000 0.446 228 S N 5.760 121.276 115.700 -0.306 0.000 2.452 228 S HA 0.305 4.776 4.470 0.000 0.000 0.284 228 S C 1.170 175.717 174.600 -0.088 0.000 1.171 228 S CA -0.494 57.601 58.200 -0.175 0.000 1.064 228 S CB 1.117 64.311 63.200 -0.011 0.000 0.967 228 S HN 0.605 nan 8.310 nan 0.000 0.484 229 I N 3.388 123.905 120.570 -0.089 0.000 2.454 229 I HA -0.215 3.955 4.170 0.000 0.000 0.254 229 I C 2.138 178.254 176.117 -0.002 0.000 1.156 229 I CA 1.016 62.285 61.300 -0.050 0.000 1.433 229 I CB -0.146 37.813 38.000 -0.070 0.000 1.082 229 I HN 0.782 nan 8.210 nan 0.000 0.432 230 A N -0.041 122.795 122.820 0.027 0.000 2.172 230 A HA -0.167 4.153 4.320 0.000 0.000 0.216 230 A C 2.322 179.996 177.584 0.150 0.000 1.154 230 A CA 1.511 53.617 52.037 0.115 0.000 0.701 230 A CB -0.671 18.443 19.000 0.190 0.000 0.789 230 A HN 0.610 nan 8.150 nan 0.000 0.465 231 S N -1.141 114.605 115.700 0.076 0.000 2.527 231 S HA 0.214 4.684 4.470 0.000 0.000 0.222 231 S C 0.448 175.068 174.600 0.033 0.000 0.985 231 S CA -0.202 58.026 58.200 0.046 0.000 0.921 231 S CB -0.468 62.741 63.200 0.014 0.000 0.772 231 S HN 0.165 nan 8.310 nan 0.000 0.529 232 L N 2.444 123.687 121.223 0.033 0.000 2.436 232 L HA 0.439 4.779 4.340 0.000 0.000 0.265 232 L C -2.341 174.550 176.870 0.034 0.000 1.168 232 L CA -1.973 52.881 54.840 0.023 0.000 0.815 232 L CB -0.522 41.546 42.059 0.015 0.000 1.109 232 L HN -0.015 nan 8.230 nan 0.000 0.462 233 P HA 0.123 nan 4.420 nan 0.000 0.261 233 P C 0.698 178.019 177.300 0.034 0.000 1.183 233 P CA 0.966 64.081 63.100 0.025 0.000 0.761 233 P CB 0.422 32.129 31.700 0.012 0.000 0.785 234 G N 3.089 111.920 108.800 0.051 0.000 2.184 234 G HA2 -0.325 3.635 3.960 0.000 0.000 0.264 234 G HA3 -0.325 3.635 3.960 0.000 0.000 0.264 234 G C 0.912 175.854 174.900 0.070 0.000 0.975 234 G CA 0.182 45.316 45.100 0.057 0.000 0.642 234 G HN 0.403 nan 8.290 nan 0.000 0.536 235 M N -0.789 118.861 119.600 0.084 0.000 2.476 235 M HA 0.212 4.692 4.480 0.000 0.000 0.262 235 M C 2.067 178.425 176.300 0.097 0.000 1.111 235 M CA 0.402 55.742 55.300 0.066 0.000 1.127 235 M CB -0.998 31.628 32.600 0.044 0.000 1.376 235 M HN 0.595 nan 8.290 nan 0.000 0.465 236 W N 2.358 123.651 121.300 -0.012 0.000 2.321 236 W HA -0.215 4.445 4.660 0.001 0.000 0.306 236 W C 1.089 177.612 176.519 0.008 0.000 1.217 236 W CA 1.390 58.728 57.345 -0.011 0.000 1.257 236 W CB -0.085 29.371 29.460 -0.007 0.000 1.145 236 W HN 0.166 nan 8.180 nan 0.000 0.509 237 E N 0.386 120.605 120.200 0.033 0.000 2.478 237 E HA -0.153 4.197 4.350 0.000 0.000 0.198 237 E C 1.429 178.019 176.600 -0.017 0.000 1.046 237 E CA 1.033 57.439 56.400 0.010 0.000 0.870 237 E CB -0.156 29.620 29.700 0.126 0.000 0.818 237 E HN 0.624 nan 8.360 nan 0.000 0.527 238 R N -1.194 119.247 120.500 -0.098 0.000 2.592 238 R HA 0.263 4.604 4.340 0.000 0.000 0.439 238 R C -0.206 175.992 176.300 -0.169 0.000 0.995 238 R CA -0.215 55.822 56.100 -0.104 0.000 1.141 238 R CB 0.244 30.527 30.300 -0.029 0.000 1.495 238 R HN -0.234 nan 8.270 nan 0.000 0.579 239 T N 1.518 115.919 114.554 -0.256 0.000 2.876 239 T HA 0.483 4.833 4.350 0.000 0.000 0.289 239 T C -0.805 173.693 174.700 -0.337 0.000 1.014 239 T CA -0.549 61.406 62.100 -0.241 0.000 0.986 239 T CB 2.191 70.968 68.868 -0.153 0.000 1.021 239 T HN 0.088 nan 8.240 nan 0.000 0.458 240 L N 2.675 123.728 121.223 -0.284 0.000 2.313 240 L HA 0.533 4.873 4.340 0.000 0.000 0.283 240 L C 0.020 176.760 176.870 -0.216 0.000 1.013 240 L CA -0.702 53.971 54.840 -0.279 0.000 0.816 240 L CB 1.713 43.604 42.059 -0.279 0.000 1.236 240 L HN 0.597 nan 8.230 nan 0.000 0.419 241 T N 4.411 118.865 114.554 -0.166 0.000 2.779 241 T HA 0.612 4.963 4.350 0.000 0.000 0.280 241 T C -0.167 174.449 174.700 -0.140 0.000 0.987 241 T CA -0.252 61.775 62.100 -0.122 0.000 0.966 241 T CB 1.278 70.122 68.868 -0.040 0.000 0.933 241 T HN 0.263 nan 8.240 nan 0.000 0.442 242 I N 2.296 122.739 120.570 -0.212 0.000 2.474 242 I HA 0.681 4.851 4.170 0.000 0.000 0.294 242 I C 0.653 176.471 176.117 -0.498 0.000 1.005 242 I CA -0.582 60.519 61.300 -0.332 0.000 1.113 242 I CB 1.965 39.796 38.000 -0.282 0.000 1.289 242 I HN 0.728 nan 8.210 nan 0.000 0.436 243 G N 2.561 110.764 108.800 -0.995 0.000 2.658 243 G HA2 0.608 4.568 3.960 0.000 0.000 0.292 243 G HA3 0.608 4.568 3.960 0.000 0.000 0.292 243 G C -1.642 172.363 174.900 -1.492 0.000 1.320 243 G CA -0.498 43.867 45.100 -1.225 0.000 0.933 243 G HN 0.454 nan 8.290 nan 0.000 0.476 244 S N -0.887 114.229 115.700 -0.974 0.000 2.672 244 S HA 0.552 5.023 4.470 0.000 0.000 0.291 244 S C 1.087 175.604 174.600 -0.137 0.000 1.145 244 S CA 0.388 58.258 58.200 -0.550 0.000 1.013 244 S CB 1.386 64.366 63.200 -0.367 0.000 1.017 244 S HN 1.403 nan 8.310 nan 0.000 0.487 245 A N 4.602 127.540 122.820 0.197 0.000 1.933 245 A HA 0.265 4.585 4.320 0.000 0.000 0.218 245 A C 1.450 179.157 177.584 0.205 0.000 1.175 245 A CA 1.367 53.701 52.037 0.495 0.000 0.628 245 A CB -1.403 18.013 19.000 0.692 0.000 0.814 245 A HN 1.100 nan 8.150 nan 0.000 0.444 249 F N 2.520 122.488 119.950 0.031 0.000 2.668 249 F HA 0.525 5.052 4.527 -0.000 0.000 0.301 249 F C 0.935 176.498 175.800 -0.395 0.000 1.106 249 F CA -0.480 57.353 58.000 -0.277 0.000 1.289 249 F CB 0.145 38.820 39.000 -0.541 0.000 1.006 249 F HN -0.012 nan 8.300 nan 0.000 0.535 250 S N 1.011 116.689 115.700 -0.036 0.000 3.706 250 S HA -0.125 4.345 4.470 0.000 0.000 0.363 250 S C 0.362 174.825 174.600 -0.228 0.000 0.999 250 S CA 0.567 58.728 58.200 -0.065 0.000 1.143 250 S CB -1.495 61.644 63.200 -0.101 0.000 0.902 250 S HN 0.594 nan 8.310 nan 0.000 0.476 251 A N 0.327 122.952 122.820 -0.326 0.000 3.410 251 A HA 0.623 4.943 4.320 0.000 0.000 0.276 251 A C 1.141 178.533 177.584 -0.319 0.000 0.995 251 A CA 0.322 52.011 52.037 -0.580 0.000 0.934 251 A CB 0.015 18.049 19.000 -1.611 0.000 1.191 251 A HN 0.756 nan 8.150 nan 0.000 0.511 252 T N -2.641 111.850 114.554 -0.106 0.000 2.881 252 T HA -0.086 4.264 4.350 0.000 0.000 0.270 252 T C 1.723 176.437 174.700 0.023 0.000 1.068 252 T CA 1.868 63.963 62.100 -0.009 0.000 1.131 252 T CB -0.242 68.648 68.868 0.035 0.000 0.871 252 T HN 0.739 nan 8.240 nan 0.000 0.479 253 G N -0.580 108.240 108.800 0.033 0.000 2.776 253 G HA2 0.029 3.989 3.960 0.000 0.000 0.209 253 G HA3 0.029 3.989 3.960 0.000 0.000 0.209 253 G C 0.935 176.041 174.900 0.344 0.000 1.145 253 G CA -0.095 45.084 45.100 0.131 0.000 0.791 253 G HN 0.501 nan 8.290 nan 0.000 0.530 254 W N 0.231 121.568 121.300 0.061 0.000 2.476 254 W HA 0.234 4.893 4.660 -0.001 0.000 0.281 254 W C 0.906 177.460 176.519 0.058 0.000 1.230 254 W CA -0.197 57.187 57.345 0.065 0.000 1.287 254 W CB 0.131 29.600 29.460 0.016 0.000 1.108 254 W HN 0.016 nan 8.180 nan 0.000 0.567 255 K N 0.106 120.678 120.400 0.287 0.000 3.451 255 K HA -0.165 4.156 4.320 0.000 0.000 0.273 255 K C -0.780 175.945 176.600 0.208 0.000 0.944 255 K CA 0.506 56.911 56.287 0.196 0.000 0.734 255 K CB -2.096 30.490 32.500 0.143 0.000 1.437 255 K HN -0.001 nan 8.250 nan 0.000 0.454 256 V N -0.330 119.738 119.914 0.256 0.000 2.540 256 V HA 0.814 4.934 4.120 0.000 0.000 0.302 256 V C 0.973 177.226 176.094 0.265 0.000 1.035 256 V CA -0.119 62.352 62.300 0.286 0.000 0.873 256 V CB 2.195 34.234 31.823 0.360 0.000 0.992 256 V HN 0.558 nan 8.190 nan 0.000 0.428 257 G N 2.966 111.900 108.800 0.223 0.000 2.921 257 G HA2 0.845 4.805 3.960 0.000 0.000 0.291 257 G HA3 0.845 4.805 3.960 0.000 0.000 0.291 257 G C -1.945 173.089 174.900 0.224 0.000 1.370 257 G CA -0.550 44.533 45.100 -0.028 0.000 0.847 257 G HN 0.995 nan 8.290 nan 0.000 0.532 258 W N -1.821 119.514 121.300 0.058 0.000 3.066 258 W HA 0.697 5.358 4.660 0.002 0.000 0.330 258 W C -1.684 174.805 176.519 -0.049 0.000 1.253 258 W CA -1.337 56.018 57.345 0.016 0.000 1.187 258 W CB 1.077 30.549 29.460 0.020 0.000 1.434 258 W HN 0.421 nan 8.180 nan 0.000 0.572 259 V N 2.456 122.468 119.914 0.163 0.000 2.604 259 V HA 0.630 4.750 4.120 0.000 0.000 0.305 259 V C -0.336 175.810 176.094 0.087 0.000 1.043 259 V CA -1.169 61.155 62.300 0.039 0.000 0.888 259 V CB 1.421 33.211 31.823 -0.055 0.000 0.995 259 V HN 0.591 nan 8.190 nan 0.000 0.429 260 L N 3.635 124.886 121.223 0.048 0.000 2.341 260 L HA 1.014 5.354 4.340 0.000 0.000 0.278 260 L C 0.429 177.216 176.870 -0.138 0.000 1.005 260 L CA -0.189 54.688 54.840 0.061 0.000 0.818 260 L CB 1.896 44.057 42.059 0.170 0.000 1.259 260 L HN 0.893 nan 8.230 nan 0.000 0.418 261 G N 2.381 111.022 108.800 -0.266 0.000 2.441 261 G HA2 0.433 4.393 3.960 0.000 0.000 0.294 261 G HA3 0.433 4.393 3.960 0.000 0.000 0.294 261 G C -3.335 171.129 174.900 -0.726 0.000 1.393 261 G CA -0.656 43.970 45.100 -0.790 0.000 0.796 261 G HN 0.264 nan 8.290 nan 0.000 0.494 262 P HA 0.215 nan 4.420 nan 0.000 0.275 262 P C -0.013 177.138 177.300 -0.248 0.000 1.228 262 P CA 0.060 62.921 63.100 -0.398 0.000 0.786 262 P CB 1.996 33.444 31.700 -0.420 0.000 0.927 263 D N 1.027 121.395 120.400 -0.053 0.000 2.158 263 D HA -0.255 4.385 4.640 0.000 0.000 0.197 263 D C 1.736 177.949 176.300 -0.145 0.000 0.995 263 D CA 1.469 55.415 54.000 -0.090 0.000 0.846 263 D CB -0.362 40.428 40.800 -0.017 0.000 0.941 263 D HN 0.531 nan 8.370 nan 0.000 0.456 264 H N -0.188 118.803 119.070 -0.131 0.000 2.491 264 H HA -0.042 4.514 4.556 0.001 0.000 0.290 264 H C 1.977 177.229 175.328 -0.126 0.000 1.050 264 H CA 0.990 56.963 56.048 -0.125 0.000 1.309 264 H CB -0.332 29.390 29.762 -0.066 0.000 1.392 264 H HN 0.322 nan 8.280 nan 0.000 0.554 265 I N 0.190 120.371 120.570 -0.648 0.000 2.729 265 I HA -0.114 4.056 4.170 0.000 0.000 0.256 265 I C 2.372 178.310 176.117 -0.299 0.000 1.115 265 I CA 0.167 61.215 61.300 -0.419 0.000 1.446 265 I CB -0.133 37.559 38.000 -0.513 0.000 1.176 265 I HN 0.034 nan 8.210 nan 0.000 0.446 266 M N 1.837 121.236 119.600 -0.335 0.000 2.202 266 M HA -0.197 4.283 4.480 0.000 0.000 0.262 266 M C 2.299 178.406 176.300 -0.322 0.000 1.063 266 M CA 1.728 56.854 55.300 -0.290 0.000 1.097 266 M CB -1.066 31.375 32.600 -0.264 0.000 1.382 266 M HN 0.337 nan 8.290 nan 0.000 0.413 267 K N -0.760 119.408 120.400 -0.387 0.000 2.113 267 K HA -0.210 4.110 4.320 0.000 0.000 0.208 267 K C 1.611 177.963 176.600 -0.414 0.000 1.047 267 K CA 1.560 57.585 56.287 -0.436 0.000 0.928 267 K CB -0.648 31.579 32.500 -0.455 0.000 0.716 267 K HN 0.386 nan 8.250 nan 0.000 0.446 268 H N 0.618 119.597 119.070 -0.152 0.000 2.395 268 H HA 0.014 4.570 4.556 0.000 0.000 0.299 268 H C 2.191 177.449 175.328 -0.117 0.000 1.070 268 H CA 1.108 57.084 56.048 -0.120 0.000 1.356 268 H CB -0.137 29.554 29.762 -0.119 0.000 1.401 268 H HN 0.108 nan 8.280 nan 0.000 0.524 269 L N 0.732 121.921 121.223 -0.057 0.000 2.083 269 L HA -0.115 4.225 4.340 0.000 0.000 0.209 269 L C 2.679 179.514 176.870 -0.058 0.000 1.083 269 L CA 1.246 56.045 54.840 -0.068 0.000 0.752 269 L CB -0.395 41.598 42.059 -0.110 0.000 0.899 269 L HN 0.081 nan 8.230 nan 0.000 0.433 270 R N -1.132 119.254 120.500 -0.190 0.000 2.096 270 R HA -0.137 4.203 4.340 0.000 0.000 0.235 270 R C 2.169 178.482 176.300 0.022 0.000 1.127 270 R CA 1.788 57.740 56.100 -0.247 0.000 0.968 270 R CB -0.842 28.991 30.300 -0.777 0.000 0.861 270 R HN 0.365 nan 8.270 nan 0.000 0.440 271 T N 0.799 115.347 114.554 -0.010 0.000 2.720 271 T HA -0.108 4.242 4.350 0.000 0.000 0.268 271 T C 2.012 176.758 174.700 0.076 0.000 1.037 271 T CA 1.392 63.522 62.100 0.051 0.000 1.144 271 T CB -0.179 68.720 68.868 0.052 0.000 0.864 271 T HN 0.005 nan 8.240 nan 0.000 0.444 272 V N 1.105 121.060 119.914 0.068 0.000 2.343 272 V HA -0.208 3.913 4.120 0.000 0.000 0.247 272 V C 2.369 178.539 176.094 0.126 0.000 1.051 272 V CA 1.696 64.040 62.300 0.073 0.000 1.036 272 V CB -0.725 31.113 31.823 0.025 0.000 0.654 272 V HN 0.630 nan 8.190 nan 0.000 0.451 273 H N 1.063 120.176 119.070 0.072 0.000 2.290 273 H HA -0.222 4.334 4.556 0.001 0.000 0.298 273 H C 2.466 177.823 175.328 0.049 0.000 1.087 273 H CA 2.271 58.378 56.048 0.099 0.000 1.291 273 H CB 0.024 29.872 29.762 0.143 0.000 1.369 273 H HN 0.677 nan 8.280 nan 0.000 0.492 274 Q N -0.291 119.554 119.800 0.075 0.000 2.364 274 Q HA -0.069 4.271 4.340 0.000 0.000 0.207 274 Q C 0.697 176.705 176.000 0.015 0.000 0.970 274 Q CA 1.099 56.817 55.803 -0.142 0.000 0.888 274 Q CB 0.013 28.677 28.738 -0.122 0.000 0.951 274 Q HN 0.344 nan 8.270 nan 0.000 0.469 275 N N 0.416 119.147 118.700 0.051 0.000 2.251 275 N HA 0.072 4.812 4.740 0.000 0.000 0.217 275 N C 0.232 175.787 175.510 0.076 0.000 1.124 275 N CA 0.691 53.788 53.050 0.079 0.000 0.843 275 N CB 1.195 39.726 38.487 0.074 0.000 1.024 275 N HN 0.428 nan 8.380 nan 0.000 0.501 276 S N -1.005 114.723 115.700 0.047 0.000 3.600 276 S HA 0.036 4.506 4.470 0.000 0.000 0.179 276 S C 1.555 176.169 174.600 0.022 0.000 0.816 276 S CA 0.281 58.520 58.200 0.066 0.000 0.916 276 S CB -0.458 62.827 63.200 0.142 0.000 1.164 276 S HN -0.072 nan 8.310 nan 0.000 0.709 277 V N -1.943 117.928 119.914 -0.072 0.000 3.174 277 V HA 0.401 4.521 4.120 0.000 0.000 0.254 277 V C 1.471 177.543 176.094 -0.037 0.000 1.120 277 V CA 0.972 63.244 62.300 -0.047 0.000 1.114 277 V CB -0.877 30.931 31.823 -0.026 0.000 0.756 277 V HN 0.656 nan 8.190 nan 0.000 0.467 278 F N 0.038 119.708 119.950 -0.467 0.000 2.571 278 F HA -0.317 4.210 4.527 -0.000 0.000 0.671 278 F C 0.876 176.360 175.800 -0.526 0.000 0.488 278 F CA 2.438 60.117 58.000 -0.535 0.000 0.731 278 F CB -0.857 37.812 39.000 -0.553 0.000 1.619 278 F HN 0.469 nan 8.300 nan 0.000 0.262 279 H N -1.139 118.041 119.070 0.184 0.000 2.622 279 H HA 0.528 5.084 4.556 -0.000 0.000 0.363 279 H C -0.580 174.879 175.328 0.218 0.000 1.151 279 H CA -0.560 55.618 56.048 0.216 0.000 1.184 279 H CB 1.362 31.233 29.762 0.182 0.000 1.643 279 H HN 0.126 nan 8.280 nan 0.000 0.531 280 C N 2.415 121.946 119.300 0.385 0.000 2.382 280 C HA 0.287 4.747 4.460 0.000 0.000 0.363 280 C C -1.787 173.340 174.990 0.228 0.000 1.213 280 C CA -1.203 57.989 59.018 0.289 0.000 2.363 280 C CB 0.631 28.536 27.740 0.274 0.000 2.397 280 C HN 0.601 nan 8.230 nan 0.000 0.573 281 P HA 0.118 nan 4.420 nan 0.000 0.266 281 P C 0.524 177.843 177.300 0.032 0.000 1.195 281 P CA 0.471 63.626 63.100 0.091 0.000 0.768 281 P CB 0.383 32.120 31.700 0.062 0.000 0.838 282 T N 1.042 115.590 114.554 -0.009 0.000 2.770 282 T HA -0.129 4.221 4.350 0.000 0.000 0.263 282 T C 1.614 176.140 174.700 -0.289 0.000 1.039 282 T CA 1.418 63.443 62.100 -0.126 0.000 1.142 282 T CB -0.294 68.519 68.868 -0.092 0.000 0.868 282 T HN 0.492 nan 8.240 nan 0.000 0.435 283 Q N 1.062 120.752 119.800 -0.183 0.000 2.123 283 Q HA -0.041 4.299 4.340 0.000 0.000 0.199 283 Q C 2.725 178.494 176.000 -0.386 0.000 0.966 283 Q CA 1.482 57.170 55.803 -0.192 0.000 0.845 283 Q CB -0.150 28.598 28.738 0.017 0.000 0.907 283 Q HN 0.613 nan 8.270 nan 0.000 0.439 284 S N 0.591 115.992 115.700 -0.498 0.000 2.382 284 S HA -0.225 4.245 4.470 0.000 0.000 0.228 284 S C 1.880 176.176 174.600 -0.507 0.000 1.027 284 S CA 0.993 58.613 58.200 -0.966 0.000 0.991 284 S CB -0.296 62.483 63.200 -0.703 0.000 0.823 284 S HN 0.322 nan 8.310 nan 0.000 0.469 285 Q N 1.314 120.961 119.800 -0.256 0.000 2.096 285 Q HA -0.040 4.300 4.340 0.000 0.000 0.204 285 Q C 2.655 178.604 176.000 -0.086 0.000 0.982 285 Q CA 1.506 57.269 55.803 -0.067 0.000 0.850 285 Q CB -0.596 28.158 28.738 0.027 0.000 0.901 285 Q HN 0.778 nan 8.270 nan 0.000 0.422 286 A N 1.167 123.765 122.820 -0.370 0.000 1.902 286 A HA -0.147 4.173 4.320 0.000 0.000 0.217 286 A C 2.316 179.844 177.584 -0.093 0.000 1.181 286 A CA 1.645 53.553 52.037 -0.215 0.000 0.623 286 A CB -0.783 17.995 19.000 -0.369 0.000 0.818 286 A HN 0.410 nan 8.150 nan 0.000 0.443 287 A N -0.555 122.101 122.820 -0.274 0.000 1.902 287 A HA -0.022 4.298 4.320 0.000 0.000 0.217 287 A C 2.233 179.753 177.584 -0.107 0.000 1.181 287 A CA 1.863 53.725 52.037 -0.293 0.000 0.623 287 A CB -0.965 17.541 19.000 -0.824 0.000 0.818 287 A HN 0.413 nan 8.150 nan 0.000 0.443 288 V N -0.126 119.781 119.914 -0.012 0.000 2.343 288 V HA -0.243 3.877 4.120 0.000 0.000 0.247 288 V C 3.054 179.279 176.094 0.218 0.000 1.051 288 V CA 1.883 64.299 62.300 0.192 0.000 1.036 288 V CB -1.303 30.764 31.823 0.406 0.000 0.654 288 V HN 0.624 nan 8.190 nan 0.000 0.451 289 A N -0.183 122.769 122.820 0.220 0.000 1.883 289 A HA -0.309 4.011 4.320 0.000 0.000 0.217 289 A C 2.303 179.972 177.584 0.142 0.000 1.186 289 A CA 2.193 54.367 52.037 0.229 0.000 0.624 289 A CB -0.562 18.580 19.000 0.236 0.000 0.822 289 A HN 0.641 nan 8.150 nan 0.000 0.444 290 E N -0.207 120.040 120.200 0.079 0.000 2.110 290 E HA -0.135 4.215 4.350 0.000 0.000 0.193 290 E C 2.079 178.669 176.600 -0.017 0.000 0.988 290 E CA 1.289 57.714 56.400 0.042 0.000 0.804 290 E CB -0.081 29.657 29.700 0.063 0.000 0.745 290 E HN 0.566 nan 8.360 nan 0.000 0.458 291 S N 0.017 115.643 115.700 -0.124 0.000 2.368 291 S HA -0.107 4.364 4.470 0.000 0.000 0.224 291 S C 1.524 175.954 174.600 -0.282 0.000 1.029 291 S CA 0.951 58.950 58.200 -0.334 0.000 0.988 291 S CB -0.345 62.139 63.200 -1.193 0.000 0.838 291 S HN 0.275 nan 8.310 nan 0.000 0.462 292 F N 1.924 121.844 119.950 -0.050 0.000 2.171 292 F HA -0.044 4.483 4.527 -0.000 0.000 0.300 292 F C 2.362 178.001 175.800 -0.268 0.000 1.090 292 F CA 0.873 58.825 58.000 -0.080 0.000 1.293 292 F CB -0.569 38.388 39.000 -0.072 0.000 1.013 292 F HN 0.226 nan 8.300 nan 0.000 0.486 293 E N -0.487 119.713 120.200 0.001 0.000 2.118 293 E HA -0.230 4.120 4.350 0.000 0.000 0.195 293 E C 2.414 178.928 176.600 -0.143 0.000 0.992 293 E CA 0.787 57.147 56.400 -0.067 0.000 0.804 293 E CB -0.169 29.515 29.700 -0.027 0.000 0.741 293 E HN 0.119 nan 8.360 nan 0.000 0.458 294 R N 0.996 121.371 120.500 -0.207 0.000 2.081 294 R HA -0.151 4.189 4.340 0.000 0.000 0.235 294 R C 1.748 177.797 176.300 -0.419 0.000 1.131 294 R CA 1.275 57.166 56.100 -0.348 0.000 0.960 294 R CB -0.012 29.947 30.300 -0.568 0.000 0.856 294 R HN 0.148 nan 8.270 nan 0.000 0.436 295 E N 0.442 120.363 120.200 -0.464 0.000 2.152 295 E HA -0.167 4.183 4.350 0.000 0.000 0.192 295 E C 1.860 178.311 176.600 -0.249 0.000 0.983 295 E CA 0.675 56.772 56.400 -0.504 0.000 0.818 295 E CB -0.110 29.074 29.700 -0.860 0.000 0.758 295 E HN 0.450 nan 8.360 nan 0.000 0.467 296 Q N 0.278 119.915 119.800 -0.272 0.000 2.084 296 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 296 Q C 2.201 178.215 176.000 0.023 0.000 0.978 296 Q CA 0.890 56.631 55.803 -0.103 0.000 0.844 296 Q CB -0.034 28.612 28.738 -0.153 0.000 0.898 296 Q HN 0.133 nan 8.270 nan 0.000 0.426 297 L N 0.307 121.500 121.223 -0.049 0.000 2.131 297 L HA -0.083 4.257 4.340 0.000 0.000 0.210 297 L C 1.416 178.285 176.870 -0.000 0.000 1.092 297 L CA 1.604 56.429 54.840 -0.025 0.000 0.759 297 L CB -0.070 41.950 42.059 -0.065 0.000 0.903 297 L HN 0.247 nan 8.230 nan 0.000 0.435 298 L N -0.988 120.214 121.223 -0.035 0.000 2.791 298 L HA 0.124 4.464 4.340 0.000 0.000 0.239 298 L C -0.004 176.898 176.870 0.053 0.000 1.203 298 L CA -0.644 54.178 54.840 -0.029 0.000 1.002 298 L CB -0.393 41.591 42.059 -0.125 0.000 1.295 298 L HN 0.044 nan 8.230 nan 0.000 0.504 299 F N 2.068 122.019 119.950 0.002 0.000 2.590 299 F HA -0.016 4.511 4.527 0.000 0.000 0.389 299 F C 1.440 177.298 175.800 0.097 0.000 1.049 299 F CA 0.334 58.391 58.000 0.094 0.000 1.199 299 F CB -0.053 39.058 39.000 0.185 0.000 1.058 299 F HN 0.188 nan 8.300 nan 0.000 0.556 300 R N 1.086 121.280 120.500 -0.510 0.000 3.922 300 R HA -0.207 4.133 4.340 0.000 0.000 0.447 300 R C -0.203 176.018 176.300 -0.132 0.000 1.035 300 R CA 0.885 56.756 56.100 -0.381 0.000 1.289 300 R CB -1.192 28.862 30.300 -0.410 0.000 1.906 300 R HN 0.621 nan 8.270 nan 0.000 0.540 301 Q N 0.177 119.933 119.800 -0.073 0.000 2.260 301 Q HA 0.197 4.537 4.340 0.000 0.000 0.242 301 Q C -1.611 174.378 176.000 -0.019 0.000 0.932 301 Q CA -1.852 53.932 55.803 -0.032 0.000 0.891 301 Q CB 0.586 29.313 28.738 -0.019 0.000 1.222 301 Q HN -0.104 nan 8.270 nan 0.000 0.453 302 P HA -0.143 nan 4.420 nan 0.000 0.218 302 P C 0.980 178.291 177.300 0.019 0.000 1.148 302 P CA 1.478 64.584 63.100 0.010 0.000 0.822 302 P CB 0.256 31.962 31.700 0.011 0.000 0.784 303 S N -1.946 113.758 115.700 0.006 0.000 2.593 303 S HA 0.058 4.528 4.470 0.000 0.000 0.217 303 S C 0.903 175.503 174.600 0.001 0.000 0.966 303 S CA -0.284 57.923 58.200 0.011 0.000 0.914 303 S CB -1.104 62.092 63.200 -0.005 0.000 0.776 303 S HN 0.167 nan 8.310 nan 0.000 0.523 304 S N 0.686 116.374 115.700 -0.019 0.000 2.564 304 S HA 0.249 4.720 4.470 0.000 0.000 0.278 304 S C 0.551 175.187 174.600 0.060 0.000 1.333 304 S CA -0.625 57.539 58.200 -0.060 0.000 1.048 304 S CB 0.217 63.366 63.200 -0.085 0.000 0.900 304 S HN 0.319 nan 8.310 nan 0.000 0.505 305 Y N 2.664 122.899 120.300 -0.109 0.000 2.224 305 Y HA -0.034 4.516 4.550 -0.000 0.000 0.289 305 Y C 1.398 177.473 175.900 0.290 0.000 1.146 305 Y CA 1.297 59.466 58.100 0.116 0.000 1.182 305 Y CB -0.367 38.212 38.460 0.198 0.000 0.983 305 Y HN 0.762 nan 8.280 nan 0.000 0.524 306 F N -1.648 118.373 119.950 0.119 0.000 2.502 306 F HA -0.087 4.440 4.527 0.000 0.000 0.298 306 F C 2.177 178.045 175.800 0.114 0.000 1.111 306 F CA 0.329 58.366 58.000 0.063 0.000 1.445 306 F CB -1.245 37.677 39.000 -0.130 0.000 1.081 306 F HN -0.066 nan 8.300 nan 0.000 0.558 307 V N -0.751 119.300 119.914 0.228 0.000 2.374 307 V HA -0.147 3.973 4.120 0.000 0.000 0.241 307 V C 2.222 178.391 176.094 0.126 0.000 1.034 307 V CA 1.211 63.599 62.300 0.146 0.000 1.037 307 V CB -0.494 31.373 31.823 0.073 0.000 0.682 307 V HN 0.188 nan 8.190 nan 0.000 0.463 308 Q N -0.965 118.904 119.800 0.115 0.000 2.079 308 Q HA -0.171 4.169 4.340 0.000 0.000 0.200 308 Q C 2.171 178.228 176.000 0.095 0.000 0.974 308 Q CA 1.873 57.737 55.803 0.101 0.000 0.840 308 Q CB -0.197 28.617 28.738 0.127 0.000 0.898 308 Q HN 0.598 nan 8.270 nan 0.000 0.430 309 F N 1.894 121.748 119.950 -0.160 0.000 2.113 309 F HA -0.044 4.482 4.527 -0.000 0.000 0.297 309 F C -1.022 174.782 175.800 0.006 0.000 1.103 309 F CA 0.596 58.451 58.000 -0.242 0.000 1.248 309 F CB -1.075 37.425 39.000 -0.832 0.000 0.999 309 F HN 0.007 nan 8.300 nan 0.000 0.475 310 P HA -0.176 nan 4.420 nan 0.000 0.218 310 P C 1.377 178.756 177.300 0.131 0.000 1.149 310 P CA 1.784 64.935 63.100 0.085 0.000 0.817 310 P CB -0.195 31.595 31.700 0.150 0.000 0.785 311 Q N -0.505 119.340 119.800 0.076 0.000 2.050 311 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 311 Q C 2.289 178.278 176.000 -0.017 0.000 0.980 311 Q CA 1.721 57.555 55.803 0.052 0.000 0.840 311 Q CB -0.762 28.006 28.738 0.050 0.000 0.898 311 Q HN 0.172 nan 8.270 nan 0.000 0.424 312 A N 0.740 123.527 122.820 -0.056 0.000 1.877 312 A HA -0.181 4.139 4.320 0.000 0.000 0.216 312 A C 2.020 179.515 177.584 -0.149 0.000 1.186 312 A CA 1.388 53.369 52.037 -0.093 0.000 0.620 312 A CB -0.346 18.606 19.000 -0.081 0.000 0.822 312 A HN 0.245 nan 8.150 nan 0.000 0.443 313 M N -0.749 118.715 119.600 -0.228 0.000 2.319 313 M HA -0.092 4.389 4.480 0.000 0.000 0.265 313 M C 2.174 178.327 176.300 -0.245 0.000 1.068 313 M CA 1.377 56.581 55.300 -0.160 0.000 1.118 313 M CB -1.274 31.219 32.600 -0.179 0.000 1.395 313 M HN 0.699 nan 8.290 nan 0.000 0.435 314 Q N 0.553 120.180 119.800 -0.289 0.000 2.124 314 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 314 Q C 2.054 177.830 176.000 -0.373 0.000 0.977 314 Q CA 1.456 56.951 55.803 -0.512 0.000 0.850 314 Q CB 0.135 28.756 28.738 -0.195 0.000 0.901 314 Q HN 0.456 nan 8.270 nan 0.000 0.429 315 R N -0.735 119.640 120.500 -0.209 0.000 2.092 315 R HA -0.086 4.254 4.340 0.000 0.000 0.231 315 R C 2.491 178.713 176.300 -0.130 0.000 1.119 315 R CA 1.304 57.320 56.100 -0.140 0.000 0.970 315 R CB -0.347 29.907 30.300 -0.075 0.000 0.864 315 R HN 0.360 nan 8.270 nan 0.000 0.440 316 C N 0.330 119.548 119.300 -0.138 0.000 2.429 316 C HA -0.061 4.399 4.460 0.000 0.000 0.277 316 C C 2.719 177.563 174.990 -0.244 0.000 1.262 316 C CA 0.432 59.397 59.018 -0.088 0.000 1.733 316 C CB -0.897 26.860 27.740 0.029 0.000 2.010 316 C HN 0.489 nan 8.230 nan 0.000 0.483 317 R N 1.169 121.270 120.500 -0.664 0.000 2.083 317 R HA -0.174 4.166 4.340 0.000 0.000 0.237 317 R C 1.635 177.615 176.300 -0.533 0.000 1.137 317 R CA 2.285 57.693 56.100 -1.153 0.000 0.951 317 R CB -0.503 28.753 30.300 -1.740 0.000 0.851 317 R HN 0.474 nan 8.270 nan 0.000 0.434 318 D N -0.852 119.325 120.400 -0.372 0.000 2.117 318 D HA -0.174 4.466 4.640 0.000 0.000 0.197 318 D C 1.755 178.000 176.300 -0.092 0.000 0.987 318 D CA 1.383 55.258 54.000 -0.208 0.000 0.829 318 D CB -0.514 40.188 40.800 -0.164 0.000 0.961 318 D HN 0.540 nan 8.370 nan 0.000 0.460 319 H N -0.134 118.831 119.070 -0.175 0.000 2.290 319 H HA -0.088 4.469 4.556 0.001 0.000 0.298 319 H C 2.252 177.510 175.328 -0.117 0.000 1.087 319 H CA 1.413 57.390 56.048 -0.118 0.000 1.291 319 H CB 0.002 29.710 29.762 -0.090 0.000 1.369 319 H HN 0.013 nan 8.280 nan 0.000 0.492 320 M N 0.180 119.780 119.600 -0.001 0.000 2.159 320 M HA -0.127 4.353 4.480 0.000 0.000 0.263 320 M C 2.043 178.284 176.300 -0.099 0.000 1.063 320 M CA 1.432 56.684 55.300 -0.080 0.000 1.110 320 M CB 0.032 32.578 32.600 -0.091 0.000 1.374 320 M HN 0.375 nan 8.290 nan 0.000 0.411 321 I N -0.441 120.060 120.570 -0.114 0.000 2.179 321 I HA -0.339 3.831 4.170 0.000 0.000 0.242 321 I C 2.636 178.711 176.117 -0.071 0.000 1.088 321 I CA 1.412 62.651 61.300 -0.101 0.000 1.357 321 I CB -0.512 37.420 38.000 -0.113 0.000 1.051 321 I HN 0.360 nan 8.210 nan 0.000 0.409 322 R N 0.552 121.021 120.500 -0.053 0.000 2.073 322 R HA -0.148 4.192 4.340 0.000 0.000 0.234 322 R C 2.443 178.721 176.300 -0.036 0.000 1.134 322 R CA 1.924 57.998 56.100 -0.044 0.000 0.952 322 R CB -0.096 30.173 30.300 -0.052 0.000 0.850 322 R HN 0.205 nan 8.270 nan 0.000 0.433 323 S N 0.956 116.653 115.700 -0.005 0.000 2.356 323 S HA -0.078 4.392 4.470 0.000 0.000 0.223 323 S C 1.858 176.413 174.600 -0.076 0.000 1.032 323 S CA 1.149 59.345 58.200 -0.006 0.000 1.005 323 S CB -0.161 63.077 63.200 0.063 0.000 0.867 323 S HN 0.295 nan 8.310 nan 0.000 0.449 324 L N 1.332 122.479 121.223 -0.127 0.000 2.201 324 L HA -0.107 4.234 4.340 0.000 0.000 0.212 324 L C 2.514 179.309 176.870 -0.124 0.000 1.105 324 L CA 0.920 55.650 54.840 -0.183 0.000 0.775 324 L CB -0.538 41.335 42.059 -0.310 0.000 0.913 324 L HN 0.366 nan 8.230 nan 0.000 0.440 325 Q N -0.286 119.464 119.800 -0.084 0.000 2.291 325 Q HA -0.161 4.179 4.340 0.000 0.000 0.206 325 Q C 2.379 178.334 176.000 -0.075 0.000 0.976 325 Q CA 1.554 57.324 55.803 -0.056 0.000 0.875 325 Q CB -0.091 28.622 28.738 -0.041 0.000 0.927 325 Q HN 0.624 nan 8.270 nan 0.000 0.450 326 S N -0.048 115.594 115.700 -0.096 0.000 2.442 326 S HA -0.089 4.381 4.470 0.000 0.000 0.236 326 S C 1.751 176.261 174.600 -0.151 0.000 1.007 326 S CA 1.099 59.240 58.200 -0.099 0.000 0.965 326 S CB -0.202 62.949 63.200 -0.081 0.000 0.773 326 S HN 0.323 nan 8.310 nan 0.000 0.504 327 V N -3.248 116.523 119.914 -0.238 0.000 3.427 327 V HA 0.759 4.880 4.120 0.000 0.000 0.305 327 V C 1.251 177.282 176.094 -0.105 0.000 1.412 327 V CA 0.031 62.113 62.300 -0.363 0.000 1.086 327 V CB -0.645 30.519 31.823 -1.098 0.000 0.964 327 V HN 0.740 nan 8.190 nan 0.000 0.439 328 G N 0.767 109.537 108.800 -0.050 0.000 2.159 328 G HA2 -0.204 3.756 3.960 0.000 0.000 0.227 328 G HA3 -0.204 3.756 3.960 0.000 0.000 0.227 328 G C -0.103 174.881 174.900 0.141 0.000 0.986 328 G CA 0.120 45.206 45.100 -0.022 0.000 0.651 328 G HN 0.555 nan 8.290 nan 0.000 0.523 329 L N 0.363 121.715 121.223 0.215 0.000 2.426 329 L HA 0.408 4.748 4.340 0.000 0.000 0.271 329 L C 0.714 177.659 176.870 0.125 0.000 1.169 329 L CA 0.099 55.081 54.840 0.237 0.000 0.836 329 L CB 0.733 42.901 42.059 0.181 0.000 1.112 329 L HN 0.032 nan 8.230 nan 0.000 0.465 330 K N 3.981 124.471 120.400 0.151 0.000 2.478 330 K HA 0.355 4.675 4.320 0.000 0.000 0.236 330 K C -2.472 174.222 176.600 0.157 0.000 1.021 330 K CA -1.771 54.590 56.287 0.124 0.000 1.010 330 K CB 1.126 33.700 32.500 0.123 0.000 1.331 330 K HN 0.214 nan 8.250 nan 0.000 0.470 331 P HA 0.120 nan 4.420 nan 0.000 0.271 331 P C -0.451 176.928 177.300 0.132 0.000 1.218 331 P CA -0.144 63.026 63.100 0.116 0.000 0.780 331 P CB 0.693 32.416 31.700 0.039 0.000 0.901 332 I N 3.191 123.847 120.570 0.143 0.000 2.330 332 I HA 0.263 4.434 4.170 0.000 0.000 0.289 332 I C 0.419 176.565 176.117 0.047 0.000 1.001 332 I CA -0.661 60.712 61.300 0.121 0.000 1.193 332 I CB 0.569 38.648 38.000 0.132 0.000 1.345 332 I HN 0.152 nan 8.210 nan 0.000 0.461 333 I N 9.416 130.005 120.570 0.032 0.000 2.581 333 I HA 0.104 4.274 4.170 0.000 0.000 0.285 333 I C -1.930 174.177 176.117 -0.017 0.000 1.129 333 I CA -1.334 59.960 61.300 -0.009 0.000 1.397 333 I CB 0.045 38.036 38.000 -0.014 0.000 1.399 333 I HN 0.295 nan 8.210 nan 0.000 0.537 334 P HA 0.189 nan 4.420 nan 0.000 0.286 334 P C -0.701 176.646 177.300 0.078 0.000 1.261 334 P CA -0.511 62.611 63.100 0.038 0.000 0.821 334 P CB 1.458 33.254 31.700 0.160 0.000 1.013 335 Q N 0.496 120.295 119.800 -0.002 0.000 2.392 335 Q HA 0.357 4.697 4.340 0.000 0.000 0.203 335 Q C 0.943 176.963 176.000 0.033 0.000 0.917 335 Q CA 0.542 56.302 55.803 -0.072 0.000 0.939 335 Q CB 0.219 28.658 28.738 -0.499 0.000 1.063 335 Q HN 0.752 nan 8.270 nan 0.000 0.516 336 G N -1.442 107.414 108.800 0.093 0.000 2.548 336 G HA2 0.522 4.482 3.960 0.000 0.000 0.301 336 G HA3 0.522 4.482 3.960 0.000 0.000 0.301 336 G C -1.148 173.789 174.900 0.061 0.000 1.349 336 G CA -0.135 44.909 45.100 -0.093 0.000 0.792 336 G HN 0.509 nan 8.290 nan 0.000 0.481 337 S N -2.252 113.383 115.700 -0.109 0.000 3.976 337 S HA -0.226 4.245 4.470 0.000 0.000 0.652 337 S C 0.321 174.732 174.600 -0.314 0.000 1.522 337 S CA 0.583 58.502 58.200 -0.468 0.000 1.667 337 S CB -1.098 61.760 63.200 -0.571 0.000 0.332 337 S HN 1.682 nan 8.310 nan 0.000 1.594 338 Y N 0.732 120.351 120.300 -1.135 0.000 2.583 338 Y HA 0.403 4.953 4.550 -0.001 0.000 0.293 338 Y C 0.894 175.729 175.900 -1.775 0.000 1.157 338 Y CA -0.440 56.808 58.100 -1.421 0.000 1.315 338 Y CB -0.672 36.781 38.460 -1.677 0.000 1.021 338 Y HN 0.474 nan 8.280 nan 0.000 0.536 339 F N 0.005 119.721 119.950 -0.389 0.000 2.561 339 F HA 0.588 5.115 4.527 0.001 0.000 0.321 339 F C -0.406 175.511 175.800 0.195 0.000 1.065 339 F CA -1.921 55.989 58.000 -0.150 0.000 0.934 339 F CB 1.563 40.477 39.000 -0.143 0.000 1.215 339 F HN -0.336 nan 8.300 nan 0.000 0.471 340 L N 1.538 123.045 121.223 0.473 0.000 2.371 340 L HA 0.855 5.195 4.340 0.000 0.000 0.262 340 L C -0.852 176.196 176.870 0.297 0.000 1.006 340 L CA -1.175 53.869 54.840 0.340 0.000 0.818 340 L CB 1.818 44.065 42.059 0.314 0.000 1.354 340 L HN 0.622 nan 8.230 nan 0.000 0.415 341 I N -0.732 119.946 120.570 0.180 0.000 2.607 341 I HA 0.910 5.080 4.170 0.000 0.000 0.305 341 I C -0.307 175.994 176.117 0.306 0.000 0.995 341 I CA -0.404 61.031 61.300 0.225 0.000 1.148 341 I CB 2.191 40.234 38.000 0.072 0.000 1.323 341 I HN 0.849 nan 8.210 nan 0.000 0.461 342 T N -0.050 114.751 114.554 0.411 0.000 2.841 342 T HA 0.313 4.663 4.350 0.000 0.000 0.283 342 T C -0.500 174.439 174.700 0.400 0.000 1.000 342 T CA -0.714 61.614 62.100 0.379 0.000 0.977 342 T CB 1.641 70.736 68.868 0.377 0.000 0.979 342 T HN 0.664 nan 8.240 nan 0.000 0.446 343 D N 2.179 122.798 120.400 0.366 0.000 2.383 343 D HA 0.113 4.753 4.640 0.000 0.000 0.252 343 D C 1.031 177.417 176.300 0.144 0.000 1.166 343 D CA -0.664 53.466 54.000 0.217 0.000 0.879 343 D CB 0.623 41.569 40.800 0.243 0.000 1.164 343 D HN 0.737 nan 8.370 nan 0.000 0.462 344 I N 0.817 121.418 120.570 0.051 0.000 3.914 344 I HA 0.078 4.248 4.170 0.000 0.000 0.333 344 I C 1.438 177.577 176.117 0.037 0.000 1.449 344 I CA -0.414 60.909 61.300 0.039 0.000 1.135 344 I CB 0.104 37.905 38.000 -0.331 0.000 1.073 344 I HN 0.143 nan 8.210 nan 0.000 0.401 345 S N 0.521 116.200 115.700 -0.035 0.000 2.400 345 S HA -0.221 4.249 4.470 0.000 0.000 0.232 345 S C 1.357 175.862 174.600 -0.158 0.000 1.025 345 S CA 1.622 59.714 58.200 -0.179 0.000 0.993 345 S CB -0.533 62.488 63.200 -0.298 0.000 0.808 345 S HN 0.521 nan 8.310 nan 0.000 0.478 346 D N 0.957 121.291 120.400 -0.110 0.000 2.178 346 D HA 0.026 4.666 4.640 0.000 0.000 0.202 346 D C 1.466 177.627 176.300 -0.232 0.000 0.974 346 D CA 0.865 54.751 54.000 -0.190 0.000 0.841 346 D CB -0.449 40.209 40.800 -0.237 0.000 0.953 346 D HN 0.486 nan 8.370 nan 0.000 0.478 347 F N 1.221 121.126 119.950 -0.074 0.000 2.146 347 F HA -0.031 4.497 4.527 0.002 0.000 0.298 347 F C 2.415 178.164 175.800 -0.085 0.000 1.096 347 F CA 0.805 58.800 58.000 -0.009 0.000 1.275 347 F CB -0.172 38.840 39.000 0.020 0.000 1.008 347 F HN -0.164 nan 8.300 nan 0.000 0.480 348 K N 0.242 120.559 120.400 -0.138 0.000 2.097 348 K HA -0.204 4.116 4.320 0.000 0.000 0.206 348 K C 2.317 178.694 176.600 -0.371 0.000 1.049 348 K CA 1.235 57.124 56.287 -0.664 0.000 0.933 348 K CB -0.023 31.961 32.500 -0.861 0.000 0.717 348 K HN 0.060 nan 8.250 nan 0.000 0.442 349 R N 0.469 120.823 120.500 -0.243 0.000 2.062 349 R HA -0.040 4.300 4.340 0.000 0.000 0.231 349 R C 1.968 178.191 176.300 -0.128 0.000 1.136 349 R CA 1.533 57.524 56.100 -0.183 0.000 0.948 349 R CB 0.143 30.343 30.300 -0.167 0.000 0.845 349 R HN -0.020 nan 8.270 nan 0.000 0.430 350 K N -0.656 119.680 120.400 -0.108 0.000 2.305 350 K HA 0.023 4.343 4.320 0.000 0.000 0.199 350 K C 0.658 177.246 176.600 -0.021 0.000 1.047 350 K CA 0.665 56.910 56.287 -0.069 0.000 0.976 350 K CB 0.395 32.840 32.500 -0.091 0.000 0.765 350 K HN 0.246 nan 8.250 nan 0.000 0.474 351 M N 1.982 121.588 119.600 0.009 0.000 3.053 351 M HA 0.138 4.618 4.480 0.000 0.000 0.293 351 M C -2.132 174.220 176.300 0.087 0.000 1.470 351 M CA -1.424 53.902 55.300 0.043 0.000 0.582 351 M CB 1.248 33.878 32.600 0.051 0.000 1.435 351 M HN -0.231 nan 8.290 nan 0.000 0.451 352 P HA 0.001 nan 4.420 nan 0.000 0.225 352 P C -0.659 176.712 177.300 0.118 0.000 1.156 352 P CA 0.962 64.052 63.100 -0.017 0.000 0.787 352 P CB 0.111 31.766 31.700 -0.076 0.000 0.802 353 D N 0.879 121.330 120.400 0.084 0.000 2.485 353 D HA 0.332 4.972 4.640 0.000 0.000 0.229 353 D C 0.074 176.405 176.300 0.051 0.000 1.101 353 D CA -0.069 53.971 54.000 0.066 0.000 0.906 353 D CB 0.874 41.691 40.800 0.029 0.000 1.019 353 D HN 0.149 nan 8.370 nan 0.000 0.516 354 L N 2.667 123.928 121.223 0.064 0.000 2.334 354 L HA 0.449 4.789 4.340 0.000 0.000 0.273 354 L C -1.938 174.935 176.870 0.004 0.000 1.013 354 L CA -1.882 52.952 54.840 -0.009 0.000 0.816 354 L CB 1.751 43.746 42.059 -0.107 0.000 1.278 354 L HN 0.046 nan 8.230 nan 0.000 0.431 355 P HA 0.370 nan 4.420 nan 0.000 0.269 355 P C -0.364 176.935 177.300 -0.001 0.000 1.209 355 P CA 0.029 63.135 63.100 0.010 0.000 0.776 355 P CB 1.218 32.928 31.700 0.018 0.000 0.876 356 G N -0.334 108.465 108.800 -0.001 0.000 2.316 356 G HA2 0.485 4.445 3.960 0.000 0.000 0.296 356 G HA3 0.485 4.445 3.960 0.000 0.000 0.296 356 G C -1.431 173.463 174.900 -0.009 0.000 1.399 356 G CA -0.242 44.853 45.100 -0.008 0.000 0.833 356 G HN 0.559 nan 8.290 nan 0.000 0.565 357 A N -0.712 122.097 122.820 -0.018 0.000 2.346 357 A HA 0.667 4.987 4.320 0.000 0.000 0.252 357 A C 1.170 178.743 177.584 -0.018 0.000 1.089 357 A CA 0.352 52.374 52.037 -0.024 0.000 0.797 357 A CB 0.130 19.105 19.000 -0.043 0.000 1.047 357 A HN 2.222 nan 8.150 nan 0.000 0.494 358 V N -0.387 119.515 119.914 -0.020 0.000 2.694 358 V HA 0.225 4.345 4.120 0.000 0.000 0.306 358 V C 0.132 176.216 176.094 -0.017 0.000 1.054 358 V CA 0.373 62.664 62.300 -0.015 0.000 1.161 358 V CB -0.089 31.724 31.823 -0.017 0.000 0.916 358 V HN 0.931 nan 8.190 nan 0.000 0.490 359 D N 0.034 120.429 120.400 -0.009 0.000 3.059 359 D HA -0.212 4.428 4.640 0.000 0.000 0.220 359 D C 0.414 176.712 176.300 -0.004 0.000 1.169 359 D CA 1.638 55.634 54.000 -0.007 0.000 0.902 359 D CB -0.933 39.859 40.800 -0.012 0.000 1.116 359 D HN 1.072 nan 8.370 nan 0.000 0.417 360 E N 1.055 121.253 120.200 -0.002 0.000 2.217 360 E HA 0.255 4.605 4.350 0.000 0.000 0.279 360 E C -2.372 174.244 176.600 0.027 0.000 1.068 360 E CA -1.650 54.751 56.400 0.001 0.000 0.882 360 E CB 0.786 30.481 29.700 -0.008 0.000 1.039 360 E HN -0.087 nan 8.360 nan 0.000 0.418 361 P HA -0.102 nan 4.420 nan 0.000 0.267 361 P C -0.283 177.076 177.300 0.098 0.000 1.200 361 P CA 0.210 63.353 63.100 0.072 0.000 0.772 361 P CB 0.324 32.065 31.700 0.068 0.000 0.855 362 Y N 3.503 123.818 120.300 0.025 0.000 2.151 362 Y HA -0.324 4.227 4.550 0.002 0.000 0.284 362 Y C 1.948 177.901 175.900 0.088 0.000 1.166 362 Y CA 2.540 60.666 58.100 0.042 0.000 1.163 362 Y CB -0.486 37.985 38.460 0.018 0.000 0.974 362 Y HN 0.433 nan 8.280 nan 0.000 0.511 363 D N -0.435 120.034 120.400 0.115 0.000 2.149 363 D HA -0.212 4.428 4.640 0.000 0.000 0.198 363 D C 1.907 178.221 176.300 0.023 0.000 0.990 363 D CA 1.628 55.671 54.000 0.072 0.000 0.839 363 D CB -0.728 40.139 40.800 0.112 0.000 0.948 363 D HN 0.407 nan 8.370 nan 0.000 0.460 364 R N 0.215 120.718 120.500 0.005 0.000 2.075 364 R HA 0.072 4.412 4.340 0.000 0.000 0.232 364 R C 2.696 178.977 176.300 -0.032 0.000 1.126 364 R CA 1.044 57.144 56.100 -0.000 0.000 0.963 364 R CB -0.204 30.114 30.300 0.030 0.000 0.858 364 R HN 0.241 nan 8.270 nan 0.000 0.435 365 R N -0.178 120.271 120.500 -0.084 0.000 2.096 365 R HA -0.123 4.217 4.340 0.000 0.000 0.235 365 R C 2.127 178.336 176.300 -0.151 0.000 1.127 365 R CA 1.399 57.424 56.100 -0.126 0.000 0.968 365 R CB -0.420 29.777 30.300 -0.173 0.000 0.861 365 R HN 0.179 nan 8.270 nan 0.000 0.440 366 F N 1.258 120.967 119.950 -0.401 0.000 2.146 366 F HA -0.173 4.354 4.527 0.000 0.000 0.298 366 F C 2.085 177.857 175.800 -0.046 0.000 1.096 366 F CA 1.167 58.988 58.000 -0.297 0.000 1.275 366 F CB -0.160 38.606 39.000 -0.389 0.000 1.008 366 F HN -0.289 nan 8.300 nan 0.000 0.480 367 V N 1.036 120.953 119.914 0.005 0.000 2.343 367 V HA -0.322 3.798 4.120 0.000 0.000 0.247 367 V C 2.368 178.356 176.094 -0.176 0.000 1.051 367 V CA 2.193 64.435 62.300 -0.096 0.000 1.036 367 V CB -0.675 31.083 31.823 -0.109 0.000 0.654 367 V HN 0.299 nan 8.190 nan 0.000 0.451 368 K N -1.295 119.032 120.400 -0.123 0.000 2.057 368 K HA -0.257 4.063 4.320 0.000 0.000 0.207 368 K C 1.972 178.459 176.600 -0.188 0.000 1.049 368 K CA 2.006 58.215 56.287 -0.129 0.000 0.931 368 K CB -0.363 32.099 32.500 -0.062 0.000 0.714 368 K HN 0.646 nan 8.250 nan 0.000 0.440 369 W N 1.873 122.948 121.300 -0.375 0.000 2.355 369 W HA -0.183 4.476 4.660 -0.002 0.000 0.309 369 W C 2.172 178.362 176.519 -0.548 0.000 1.206 369 W CA 1.492 58.578 57.345 -0.431 0.000 1.284 369 W CB -0.164 29.025 29.460 -0.452 0.000 1.145 369 W HN -0.041 nan 8.180 nan 0.000 0.502 370 M N -0.068 119.166 119.600 -0.609 0.000 2.132 370 M HA -0.171 4.309 4.480 0.000 0.000 0.263 370 M C 1.958 177.866 176.300 -0.654 0.000 1.065 370 M CA 1.950 56.742 55.300 -0.847 0.000 1.122 370 M CB -0.415 31.848 32.600 -0.561 0.000 1.365 370 M HN 0.103 nan 8.290 nan 0.000 0.411 371 I N 0.300 120.589 120.570 -0.468 0.000 2.179 371 I HA -0.344 3.826 4.170 0.000 0.000 0.242 371 I C 2.257 178.022 176.117 -0.587 0.000 1.088 371 I CA 1.528 62.580 61.300 -0.413 0.000 1.357 371 I CB -0.387 37.420 38.000 -0.321 0.000 1.051 371 I HN 0.283 nan 8.210 nan 0.000 0.409 372 K N 0.196 120.175 120.400 -0.700 0.000 2.103 372 K HA -0.063 4.257 4.320 0.000 0.000 0.204 372 K C 1.683 177.959 176.600 -0.539 0.000 1.052 372 K CA 1.056 56.873 56.287 -0.783 0.000 0.945 372 K CB -0.059 32.114 32.500 -0.545 0.000 0.722 372 K HN 0.372 nan 8.250 nan 0.000 0.443 373 N N -0.148 118.118 118.700 -0.723 0.000 2.454 373 N HA 0.011 4.751 4.740 0.000 0.000 0.177 373 N C 1.095 176.181 175.510 -0.706 0.000 1.049 373 N CA 0.640 53.244 53.050 -0.744 0.000 0.887 373 N CB 0.547 38.351 38.487 -1.140 0.000 1.095 373 N HN 0.031 nan 8.380 nan 0.000 0.446 374 K N -0.300 119.621 120.400 -0.798 0.000 2.412 374 K HA 0.224 4.544 4.320 0.000 0.000 0.202 374 K C 0.705 177.112 176.600 -0.321 0.000 1.102 374 K CA 0.243 56.132 56.287 -0.664 0.000 1.027 374 K CB 1.123 32.930 32.500 -1.155 0.000 0.931 374 K HN 0.138 nan 8.250 nan 0.000 0.557 375 G N 2.208 110.834 108.800 -0.290 0.000 2.176 375 G HA2 -0.246 3.714 3.960 0.000 0.000 0.252 375 G HA3 -0.246 3.714 3.960 0.000 0.000 0.252 375 G C -0.251 174.619 174.900 -0.050 0.000 1.024 375 G CA 0.166 45.187 45.100 -0.132 0.000 0.755 375 G HN 0.170 nan 8.290 nan 0.000 0.507 376 L N -0.190 120.999 121.223 -0.057 0.000 2.362 376 L HA 0.674 5.014 4.340 0.000 0.000 0.275 376 L C 0.225 177.103 176.870 0.012 0.000 0.998 376 L CA -1.346 53.538 54.840 0.073 0.000 0.820 376 L CB 2.318 44.531 42.059 0.257 0.000 1.270 376 L HN -0.059 nan 8.230 nan 0.000 0.415 377 V N 2.280 122.208 119.914 0.023 0.000 2.427 377 V HA 0.836 4.956 4.120 0.000 0.000 0.286 377 V C 0.210 176.220 176.094 -0.139 0.000 1.034 377 V CA -0.296 61.967 62.300 -0.062 0.000 0.893 377 V CB 1.317 33.119 31.823 -0.036 0.000 0.982 377 V HN 0.900 nan 8.190 nan 0.000 0.452 378 A N 5.293 127.932 122.820 -0.302 0.000 2.530 378 A HA 0.916 5.236 4.320 0.000 0.000 0.288 378 A C -1.229 176.108 177.584 -0.411 0.000 1.172 378 A CA -0.685 51.033 52.037 -0.532 0.000 0.733 378 A CB 1.558 19.917 19.000 -1.069 0.000 1.320 378 A HN 0.549 nan 8.150 nan 0.000 0.419 379 I N 1.733 122.077 120.570 -0.377 0.000 2.377 379 I HA 0.368 4.538 4.170 0.000 0.000 0.293 379 I C -2.354 173.583 176.117 -0.301 0.000 0.987 379 I CA -2.497 58.522 61.300 -0.468 0.000 1.185 379 I CB 1.141 38.966 38.000 -0.292 0.000 1.341 379 I HN 0.337 nan 8.210 nan 0.000 0.455 380 P HA 0.081 nan 4.420 nan 0.000 0.271 380 P C 0.844 178.131 177.300 -0.021 0.000 1.220 380 P CA -0.031 62.997 63.100 -0.121 0.000 0.768 380 P CB 1.479 33.116 31.700 -0.106 0.000 0.848 381 V N 2.874 122.888 119.914 0.166 0.000 2.970 381 V HA -0.170 3.950 4.120 0.000 0.000 0.260 381 V C 2.457 178.773 176.094 0.369 0.000 1.100 381 V CA 2.316 64.848 62.300 0.388 0.000 1.122 381 V CB -1.247 30.818 31.823 0.404 0.000 0.721 381 V HN 0.664 nan 8.190 nan 0.000 0.483 382 S N 1.340 117.158 115.700 0.197 0.000 2.469 382 S HA -0.170 4.300 4.470 0.000 0.000 0.238 382 S C 1.881 176.498 174.600 0.028 0.000 0.998 382 S CA 1.509 59.814 58.200 0.176 0.000 0.957 382 S CB -0.843 62.420 63.200 0.105 0.000 0.764 382 S HN 0.795 nan 8.310 nan 0.000 0.514 383 I N -2.784 117.653 120.570 -0.221 0.000 3.001 383 I HA 0.171 4.342 4.170 0.000 0.000 0.268 383 I C 0.827 176.540 176.117 -0.674 0.000 1.267 383 I CA 0.839 61.857 61.300 -0.469 0.000 1.472 383 I CB -0.529 37.079 38.000 -0.653 0.000 1.089 383 I HN 0.093 nan 8.210 nan 0.000 0.468 384 F N 0.231 120.003 119.950 -0.296 0.000 2.639 384 F HA 0.387 4.916 4.527 0.004 0.000 0.300 384 F C -0.142 174.930 175.800 -1.213 0.000 1.109 384 F CA -0.480 57.062 58.000 -0.764 0.000 1.335 384 F CB -0.503 38.182 39.000 -0.525 0.000 1.014 384 F HN -0.043 nan 8.300 nan 0.000 0.537 385 Y N -0.685 119.331 120.300 -0.473 0.000 2.485 385 Y HA 0.398 4.947 4.550 -0.001 0.000 0.345 385 Y C 0.655 176.487 175.900 -0.114 0.000 0.998 385 Y CA -1.792 56.175 58.100 -0.220 0.000 1.059 385 Y CB 1.505 39.952 38.460 -0.022 0.000 1.234 385 Y HN -0.097 nan 8.280 nan 0.000 0.461 386 S N 0.061 115.742 115.700 -0.031 0.000 2.573 386 S HA 0.044 4.515 4.470 0.000 0.000 0.277 386 S C 0.962 175.490 174.600 -0.121 0.000 1.346 386 S CA -0.610 57.353 58.200 -0.394 0.000 1.034 386 S CB 0.860 63.244 63.200 -1.359 0.000 0.879 386 S HN 0.546 nan 8.310 nan 0.000 0.528 387 V N 2.893 122.758 119.914 -0.082 0.000 2.287 387 V HA -0.101 4.019 4.120 0.000 0.000 0.248 387 V C -0.530 175.583 176.094 0.031 0.000 1.053 387 V CA 1.934 64.234 62.300 0.001 0.000 1.027 387 V CB -1.980 29.847 31.823 0.007 0.000 0.646 387 V HN 0.757 nan 8.190 nan 0.000 0.447 388 P HA -0.131 nan 4.420 nan 0.000 0.221 388 P C 1.128 178.620 177.300 0.320 0.000 1.145 388 P CA 1.483 64.637 63.100 0.090 0.000 0.795 388 P CB -0.165 31.542 31.700 0.012 0.000 0.775 389 H N -2.039 117.156 119.070 0.209 0.000 2.575 389 H HA 0.181 4.737 4.556 0.001 0.000 0.267 389 H C 1.746 177.267 175.328 0.321 0.000 0.966 389 H CA -0.112 56.158 56.048 0.370 0.000 1.165 389 H CB 0.249 30.247 29.762 0.393 0.000 1.433 389 H HN 0.209 nan 8.280 nan 0.000 0.544 390 Q N 1.262 121.235 119.800 0.288 0.000 2.167 390 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 390 Q C 2.057 178.118 176.000 0.101 0.000 0.970 390 Q CA 1.213 57.118 55.803 0.170 0.000 0.855 390 Q CB 0.093 28.900 28.738 0.116 0.000 0.911 390 Q HN 0.567 nan 8.270 nan 0.000 0.438 391 K N -0.203 120.221 120.400 0.040 0.000 2.211 391 K HA -0.148 4.172 4.320 0.000 0.000 0.203 391 K C 1.462 177.936 176.600 -0.211 0.000 1.050 391 K CA 1.325 57.544 56.287 -0.113 0.000 0.945 391 K CB -0.153 32.223 32.500 -0.207 0.000 0.732 391 K HN 0.327 nan 8.250 nan 0.000 0.451 392 H N -0.007 119.071 119.070 0.013 0.000 2.355 392 H HA 0.055 4.611 4.556 0.000 0.000 0.303 392 H C 0.315 175.486 175.328 -0.261 0.000 1.061 392 H CA 0.742 56.699 56.048 -0.151 0.000 1.368 392 H CB -0.014 29.608 29.762 -0.233 0.000 1.412 392 H HN 0.132 nan 8.280 nan 0.000 0.523 393 F N 2.943 122.875 119.950 -0.030 0.000 2.611 393 F HA 0.101 4.628 4.527 -0.000 0.000 0.321 393 F C 0.542 176.259 175.800 -0.138 0.000 1.208 393 F CA -0.525 57.342 58.000 -0.220 0.000 1.249 393 F CB 0.310 38.740 39.000 -0.951 0.000 1.514 393 F HN 0.154 nan 8.300 nan 0.000 0.561 394 D N -0.993 119.455 120.400 0.080 0.000 2.440 394 D HA -0.040 4.601 4.640 0.000 0.000 0.216 394 D C 0.856 177.239 176.300 0.138 0.000 1.150 394 D CA 0.183 54.252 54.000 0.116 0.000 0.832 394 D CB -0.526 40.343 40.800 0.115 0.000 0.992 394 D HN 0.535 nan 8.370 nan 0.000 0.502 395 H N -1.489 117.552 119.070 -0.049 0.000 2.575 395 H HA 0.249 4.805 4.556 0.000 0.000 0.256 395 H C -1.144 173.966 175.328 -0.363 0.000 1.162 395 H CA -0.552 55.376 56.048 -0.201 0.000 0.969 395 H CB -0.744 28.819 29.762 -0.331 0.000 1.796 395 H HN -0.066 nan 8.280 nan 0.000 0.607 396 Y N 1.522 121.816 120.300 -0.010 0.000 2.499 396 Y HA 0.519 5.069 4.550 -0.001 0.000 0.347 396 Y C 0.310 176.265 175.900 0.091 0.000 0.987 396 Y CA -1.324 56.819 58.100 0.072 0.000 1.044 396 Y CB 2.166 40.693 38.460 0.111 0.000 1.245 396 Y HN 0.198 nan 8.280 nan 0.000 0.461 397 I N -0.448 120.283 120.570 0.268 0.000 2.730 397 I HA 0.697 4.867 4.170 0.000 0.000 0.298 397 I C -1.026 175.151 176.117 0.100 0.000 1.089 397 I CA -1.259 60.113 61.300 0.120 0.000 1.041 397 I CB 2.483 40.503 38.000 0.034 0.000 1.235 397 I HN 0.553 nan 8.210 nan 0.000 0.423 398 R N 4.079 124.564 120.500 -0.025 0.000 2.294 398 R HA 0.592 4.932 4.340 0.000 0.000 0.319 398 R C -1.946 174.294 176.300 -0.100 0.000 0.984 398 R CA -0.424 55.686 56.100 0.016 0.000 0.861 398 R CB 1.074 31.363 30.300 -0.018 0.000 1.104 398 R HN 0.655 nan 8.270 nan 0.000 0.451 399 F N 2.369 122.431 119.950 0.186 0.000 2.507 399 F HA 0.417 4.946 4.527 0.002 0.000 0.327 399 F C 0.103 176.058 175.800 0.258 0.000 1.068 399 F CA -0.679 57.440 58.000 0.197 0.000 0.965 399 F CB 1.699 40.810 39.000 0.185 0.000 1.192 399 F HN 0.406 nan 8.300 nan 0.000 0.476 400 C N 4.482 124.003 119.300 0.367 0.000 2.298 400 C HA 0.501 4.962 4.460 0.000 0.000 0.323 400 C C 0.676 175.659 174.990 -0.011 0.000 1.284 400 C CA -0.798 58.274 59.018 0.089 0.000 1.577 400 C CB -1.168 26.621 27.740 0.081 0.000 2.249 400 C HN 0.810 nan 8.230 nan 0.000 0.497 401 F N 3.620 123.564 119.950 -0.010 0.000 2.695 401 F HA 0.402 4.930 4.527 0.001 0.000 0.303 401 F C 0.404 176.153 175.800 -0.085 0.000 1.091 401 F CA -0.502 57.465 58.000 -0.054 0.000 1.300 401 F CB -0.678 38.271 39.000 -0.085 0.000 1.071 401 F HN 0.180 nan 8.300 nan 0.000 0.578 402 V N 3.764 123.492 119.914 -0.310 0.000 2.149 402 V HA 0.227 4.347 4.120 0.000 0.000 0.245 402 V C -0.173 175.928 176.094 0.012 0.000 1.349 402 V CA 0.010 62.205 62.300 -0.176 0.000 1.289 402 V CB -0.994 30.445 31.823 -0.640 0.000 1.401 402 V HN 0.151 nan 8.190 nan 0.000 0.501 403 K N 1.356 121.905 120.400 0.249 0.000 2.477 403 K HA 0.401 4.721 4.320 0.000 0.000 0.255 403 K C -0.487 176.347 176.600 0.390 0.000 0.952 403 K CA -0.846 55.590 56.287 0.248 0.000 0.826 403 K CB 2.076 34.629 32.500 0.087 0.000 1.331 403 K HN 0.376 nan 8.250 nan 0.000 0.437 404 D N 1.345 121.991 120.400 0.411 0.000 2.449 404 D HA -0.050 4.590 4.640 0.000 0.000 0.236 404 D C 0.630 176.995 176.300 0.109 0.000 1.149 404 D CA 0.609 54.772 54.000 0.271 0.000 0.878 404 D CB 0.948 41.898 40.800 0.251 0.000 1.198 404 D HN 0.424 nan 8.370 nan 0.000 0.446 405 E N 1.767 121.998 120.200 0.053 0.000 2.160 405 E HA -0.225 4.125 4.350 0.000 0.000 0.195 405 E C 1.812 178.441 176.600 0.050 0.000 0.991 405 E CA 1.249 57.673 56.400 0.041 0.000 0.810 405 E CB 0.002 29.722 29.700 0.034 0.000 0.742 405 E HN 0.554 nan 8.360 nan 0.000 0.466 406 A N 0.621 123.477 122.820 0.059 0.000 1.969 406 A HA -0.158 4.162 4.320 0.000 0.000 0.218 406 A C 2.305 179.920 177.584 0.052 0.000 1.169 406 A CA 1.692 53.763 52.037 0.057 0.000 0.635 406 A CB -0.602 18.435 19.000 0.061 0.000 0.810 406 A HN 0.173 nan 8.150 nan 0.000 0.445 407 T N 0.438 115.026 114.554 0.055 0.000 2.812 407 T HA -0.009 4.341 4.350 0.000 0.000 0.264 407 T C 1.787 176.493 174.700 0.010 0.000 1.042 407 T CA 1.267 63.394 62.100 0.044 0.000 1.140 407 T CB -0.326 68.576 68.868 0.058 0.000 0.870 407 T HN 0.373 nan 8.240 nan 0.000 0.445 408 L N 0.947 122.149 121.223 -0.034 0.000 2.083 408 L HA -0.128 4.213 4.340 0.000 0.000 0.209 408 L C 2.919 179.752 176.870 -0.062 0.000 1.083 408 L CA 1.332 56.076 54.840 -0.161 0.000 0.752 408 L CB -0.612 41.210 42.059 -0.396 0.000 0.899 408 L HN 0.320 nan 8.230 nan 0.000 0.433 409 Q N 0.336 120.153 119.800 0.028 0.000 2.050 409 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 409 Q C 2.305 178.340 176.000 0.059 0.000 0.980 409 Q CA 1.899 57.746 55.803 0.073 0.000 0.840 409 Q CB -0.076 28.705 28.738 0.071 0.000 0.898 409 Q HN 0.508 nan 8.270 nan 0.000 0.424 410 A N 1.083 123.931 122.820 0.047 0.000 1.933 410 A HA -0.212 4.108 4.320 0.000 0.000 0.218 410 A C 2.089 179.707 177.584 0.056 0.000 1.175 410 A CA 1.536 53.603 52.037 0.050 0.000 0.628 410 A CB -0.730 18.298 19.000 0.047 0.000 0.814 410 A HN 0.657 nan 8.150 nan 0.000 0.444 411 M N -0.351 119.277 119.600 0.047 0.000 2.080 411 M HA -0.220 4.260 4.480 0.000 0.000 0.260 411 M C 1.255 177.599 176.300 0.074 0.000 1.068 411 M CA 2.492 57.827 55.300 0.059 0.000 1.109 411 M CB -0.445 32.166 32.600 0.019 0.000 1.342 411 M HN 0.315 nan 8.290 nan 0.000 0.405 412 D N 0.476 120.919 120.400 0.072 0.000 2.144 412 D HA -0.163 4.477 4.640 0.000 0.000 0.199 412 D C 1.839 178.189 176.300 0.083 0.000 0.984 412 D CA 1.501 55.554 54.000 0.089 0.000 0.834 412 D CB -0.314 40.559 40.800 0.121 0.000 0.955 412 D HN 0.582 nan 8.370 nan 0.000 0.465 413 E N 0.373 120.619 120.200 0.076 0.000 2.077 413 E HA -0.146 4.204 4.350 0.000 0.000 0.193 413 E C 2.024 178.676 176.600 0.087 0.000 0.989 413 E CA 0.776 57.218 56.400 0.071 0.000 0.800 413 E CB 0.171 29.906 29.700 0.058 0.000 0.746 413 E HN 0.085 nan 8.360 nan 0.000 0.452 414 K N 0.599 121.059 120.400 0.100 0.000 2.057 414 K HA -0.101 4.219 4.320 0.000 0.000 0.207 414 K C 2.218 178.946 176.600 0.214 0.000 1.049 414 K CA 0.857 57.222 56.287 0.131 0.000 0.931 414 K CB -0.372 32.207 32.500 0.132 0.000 0.714 414 K HN 0.206 nan 8.250 nan 0.000 0.440 415 L N 0.507 121.847 121.223 0.196 0.000 2.093 415 L HA -0.105 4.236 4.340 0.000 0.000 0.208 415 L C 2.816 179.783 176.870 0.161 0.000 1.085 415 L CA 1.062 56.016 54.840 0.190 0.000 0.755 415 L CB -0.393 41.709 42.059 0.071 0.000 0.904 415 L HN 0.183 nan 8.230 nan 0.000 0.435 416 R N 0.861 121.432 120.500 0.119 0.000 2.083 416 R HA -0.213 4.128 4.340 0.000 0.000 0.237 416 R C 2.281 178.659 176.300 0.129 0.000 1.137 416 R CA 1.748 57.908 56.100 0.100 0.000 0.951 416 R CB -0.064 30.281 30.300 0.074 0.000 0.851 416 R HN 0.274 nan 8.270 nan 0.000 0.434 417 K N -0.478 120.005 120.400 0.139 0.000 2.057 417 K HA -0.197 4.123 4.320 0.000 0.000 0.207 417 K C 1.895 178.617 176.600 0.203 0.000 1.049 417 K CA 1.384 57.749 56.287 0.129 0.000 0.931 417 K CB -0.389 32.161 32.500 0.084 0.000 0.714 417 K HN 0.328 nan 8.250 nan 0.000 0.440 418 W N 2.924 124.242 121.300 0.031 0.000 2.335 418 W HA -0.237 4.424 4.660 0.002 0.000 0.311 418 W C 2.036 178.607 176.519 0.085 0.000 1.213 418 W CA 1.681 59.058 57.345 0.054 0.000 1.274 418 W CB -0.507 28.996 29.460 0.072 0.000 1.148 418 W HN -0.067 nan 8.180 nan 0.000 0.498 419 K N 0.530 121.132 120.400 0.337 0.000 2.025 419 K HA -0.163 4.157 4.320 0.000 0.000 0.207 419 K C 2.003 178.703 176.600 0.166 0.000 1.049 419 K CA 2.828 59.230 56.287 0.191 0.000 0.933 419 K CB -0.936 31.611 32.500 0.078 0.000 0.714 419 K HN 0.094 nan 8.250 nan 0.000 0.438 420 V N -2.036 117.961 119.914 0.138 0.000 3.174 420 V HA 0.205 4.325 4.120 0.000 0.000 0.254 420 V C 0.226 176.376 176.094 0.093 0.000 1.120 420 V CA 0.084 62.442 62.300 0.098 0.000 1.114 420 V CB -0.287 31.579 31.823 0.072 0.000 0.756 420 V HN 0.147 nan 8.190 nan 0.000 0.467 421 E N 0.770 121.033 120.200 0.104 0.000 2.248 421 E HA 0.605 4.955 4.350 0.000 0.000 0.272 421 E C -0.775 175.872 176.600 0.078 0.000 1.008 421 E CA -0.729 55.716 56.400 0.076 0.000 0.856 421 E CB 1.624 31.359 29.700 0.058 0.000 1.120 421 E HN 0.220 nan 8.360 nan 0.000 0.397 422 L N 0.000 121.257 121.223 0.056 0.000 2.949 422 L HA 0.000 4.340 4.340 0.000 0.000 0.249 422 L CA 0.000 54.870 54.840 0.051 0.000 0.813 422 L CB 0.000 42.080 42.059 0.035 0.000 0.961 422 L HN 0.000 nan 8.230 nan 0.000 0.502