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 1vqu_1_A DATA FIRST_RESID 13 DATA SEQUENCE TSWYLLLQQL IDGESLSRSQ AAELXQGWLS EAVPPELSGA ILTALNFKGV DATA SEQUENCE SADELTGXAE VLQSQSKXXX XXXXXXXXXT NSPFSIIDTC GTGXXXSSTF DATA SEQUENCE NISTAVAFVA AAYGVPVAKH GNRSXXSLTG SADVLEALGV NLGASPEKVQ DATA SEQUENCE AALQEVGITF LFAPGWHPAL KAVATLRRTL RIRTVFNLLG PLVNPLRPTG DATA SEQUENCE QVVGLFTPKL LTTVAQALDN LGKQKAIVLH GRERLDEAGL GDLTDLAVLS DATA SEQUENCE DGELQLTTIN PQEVGVTPAP IGALRGGDVQ ENAEILKAVL QGKGTQAQQD DATA SEQUENCE AVALNAALAL QVAGAVPLLD HAQGVSVAKE ILQTGTAWAK LAQLVYFLGN 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 13 T HA 0.000 nan 4.350 nan 0.000 0.228 13 T C 0.000 174.175 174.700 -0.876 0.000 1.109 13 T CA 0.000 61.151 62.100 -1.582 0.000 1.349 13 T CB 0.000 nan 68.868 nan 0.000 0.612 14 S N 1.486 116.781 115.700 -0.676 0.000 3.940 14 S HA 0.282 4.751 4.470 -0.000 0.000 0.210 14 S C 0.930 175.214 174.600 -0.527 0.000 1.419 14 S CA -0.636 57.320 58.200 -0.407 0.000 0.912 14 S CB -0.588 62.415 63.200 -0.329 0.000 1.489 14 S HN 0.694 nan 8.310 nan 0.000 0.469 15 W N 0.865 122.087 121.300 -0.130 0.000 2.425 15 W HA -0.124 4.535 4.660 -0.002 0.000 0.277 15 W C 1.901 178.322 176.519 -0.163 0.000 1.231 15 W CA 0.103 57.359 57.345 -0.148 0.000 1.248 15 W CB -0.518 28.897 29.460 -0.076 0.000 1.117 15 W HN 0.838 nan 8.180 nan 0.000 0.568 16 Y N -0.717 119.678 120.300 0.159 0.000 2.384 16 Y HA -0.131 4.419 4.550 0.001 0.000 0.289 16 Y C 1.786 177.717 175.900 0.052 0.000 1.152 16 Y CA 1.016 59.172 58.100 0.094 0.000 1.258 16 Y CB -1.360 37.138 38.460 0.063 0.000 0.979 16 Y HN -0.030 nan 8.280 nan 0.000 0.549 17 L N 0.132 120.818 121.223 -0.894 0.000 2.083 17 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 17 L C 2.535 179.291 176.870 -0.189 0.000 1.083 17 L CA 1.158 55.683 54.840 -0.525 0.000 0.752 17 L CB -0.523 41.204 42.059 -0.553 0.000 0.899 17 L HN 0.347 nan 8.230 nan 0.000 0.433 18 L N -0.821 120.327 121.223 -0.124 0.000 2.046 18 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 18 L C 2.598 179.469 176.870 0.002 0.000 1.077 18 L CA 0.854 55.673 54.840 -0.035 0.000 0.747 18 L CB -0.563 41.506 42.059 0.017 0.000 0.896 18 L HN 0.262 nan 8.230 nan 0.000 0.432 19 L N 0.098 121.341 121.223 0.035 0.000 2.012 19 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 19 L C 2.588 179.489 176.870 0.051 0.000 1.073 19 L CA 1.845 56.722 54.840 0.062 0.000 0.748 19 L CB -0.624 41.498 42.059 0.105 0.000 0.891 19 L HN 0.219 nan 8.230 nan 0.000 0.431 20 Q N -0.561 119.273 119.800 0.056 0.000 2.084 20 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 20 Q C 2.337 178.350 176.000 0.022 0.000 0.978 20 Q CA 2.118 57.953 55.803 0.053 0.000 0.844 20 Q CB -0.363 28.423 28.738 0.081 0.000 0.898 20 Q HN 0.695 nan 8.270 nan 0.000 0.426 21 Q N -0.601 119.200 119.800 0.003 0.000 2.096 21 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 21 Q C 1.927 177.930 176.000 0.005 0.000 0.982 21 Q CA 1.586 57.386 55.803 -0.005 0.000 0.850 21 Q CB -0.115 28.610 28.738 -0.021 0.000 0.901 21 Q HN 0.502 nan 8.270 nan 0.000 0.422 22 L N 0.156 121.386 121.223 0.012 0.000 2.056 22 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 22 L C 2.434 179.316 176.870 0.019 0.000 1.078 22 L CA 0.481 55.333 54.840 0.020 0.000 0.749 22 L CB -0.401 41.677 42.059 0.031 0.000 0.901 22 L HN 0.336 nan 8.230 nan 0.000 0.433 23 I N 0.240 120.820 120.570 0.017 0.000 2.264 23 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 23 I C 1.685 177.805 176.117 0.005 0.000 1.111 23 I CA 1.607 62.911 61.300 0.006 0.000 1.382 23 I CB -0.891 37.115 38.000 0.010 0.000 1.060 23 I HN 0.311 nan 8.210 nan 0.000 0.418 24 D N 0.447 120.852 120.400 0.009 0.000 2.378 24 D HA 0.052 4.692 4.640 -0.000 0.000 0.227 24 D C 1.743 178.047 176.300 0.006 0.000 1.012 24 D CA 1.016 55.020 54.000 0.006 0.000 0.905 24 D CB 0.026 40.830 40.800 0.006 0.000 0.895 24 D HN 0.517 nan 8.370 nan 0.000 0.532 25 G N 0.692 109.497 108.800 0.009 0.000 2.195 25 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.246 25 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.246 25 G C 0.103 175.008 174.900 0.009 0.000 0.984 25 G CA -0.230 44.877 45.100 0.011 0.000 0.633 25 G HN 0.395 nan 8.290 nan 0.000 0.525 26 E N 1.169 121.372 120.200 0.005 0.000 2.197 26 E HA 0.560 4.910 4.350 -0.000 0.000 0.281 26 E C 0.076 176.677 176.600 0.001 0.000 0.995 26 E CA -0.285 56.115 56.400 0.001 0.000 0.808 26 E CB 1.298 30.995 29.700 -0.004 0.000 1.093 26 E HN 0.164 nan 8.360 nan 0.000 0.394 27 S N 2.266 117.966 115.700 -0.000 0.000 2.585 27 S HA 0.154 4.624 4.470 -0.000 0.000 0.273 27 S C 0.385 174.980 174.600 -0.008 0.000 1.339 27 S CA -0.603 57.596 58.200 -0.002 0.000 1.028 27 S CB 0.356 63.555 63.200 -0.003 0.000 0.906 27 S HN 0.316 nan 8.310 nan 0.000 0.528 28 L N 2.677 123.895 121.223 -0.010 0.000 2.456 28 L HA 0.151 4.490 4.340 -0.000 0.000 0.272 28 L C 1.159 178.020 176.870 -0.016 0.000 1.189 28 L CA -0.495 54.335 54.840 -0.016 0.000 0.846 28 L CB 0.150 42.198 42.059 -0.019 0.000 1.111 28 L HN 0.749 nan 8.230 nan 0.000 0.475 29 S N 2.568 118.256 115.700 -0.019 0.000 2.589 29 S HA 0.068 4.538 4.470 -0.000 0.000 0.265 29 S C 1.104 175.695 174.600 -0.015 0.000 1.342 29 S CA -0.387 57.803 58.200 -0.017 0.000 1.005 29 S CB 0.970 64.158 63.200 -0.020 0.000 0.909 29 S HN 0.740 nan 8.310 nan 0.000 0.555 30 R N 0.815 121.307 120.500 -0.013 0.000 2.103 30 R HA -0.127 4.213 4.340 -0.000 0.000 0.242 30 R C 2.208 178.502 176.300 -0.009 0.000 1.142 30 R CA 2.105 58.199 56.100 -0.011 0.000 0.960 30 R CB -0.839 29.456 30.300 -0.009 0.000 0.858 30 R HN 0.766 nan 8.270 nan 0.000 0.439 31 S N 0.493 116.186 115.700 -0.011 0.000 2.368 31 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 31 S C 1.830 176.424 174.600 -0.010 0.000 1.029 31 S CA 1.178 59.372 58.200 -0.010 0.000 0.988 31 S CB -0.156 63.034 63.200 -0.015 0.000 0.838 31 S HN 0.448 nan 8.310 nan 0.000 0.462 32 Q N 0.882 120.672 119.800 -0.017 0.000 2.084 32 Q HA -0.060 4.279 4.340 -0.000 0.000 0.202 32 Q C 2.521 178.515 176.000 -0.009 0.000 0.978 32 Q CA 1.442 57.235 55.803 -0.017 0.000 0.844 32 Q CB -0.381 28.341 28.738 -0.027 0.000 0.898 32 Q HN 0.612 nan 8.270 nan 0.000 0.426 33 A N 0.895 123.705 122.820 -0.017 0.000 1.930 33 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 33 A C 2.259 179.836 177.584 -0.013 0.000 1.175 33 A CA 1.493 53.515 52.037 -0.025 0.000 0.627 33 A CB -0.682 18.307 19.000 -0.017 0.000 0.815 33 A HN 0.399 nan 8.150 nan 0.000 0.443 34 A N -0.424 122.398 122.820 0.003 0.000 1.898 34 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 34 A C 2.040 179.642 177.584 0.031 0.000 1.181 34 A CA 1.717 53.765 52.037 0.018 0.000 0.620 34 A CB -0.538 18.472 19.000 0.016 0.000 0.819 34 A HN 0.636 nan 8.150 nan 0.000 0.442 35 E N -0.743 119.480 120.200 0.038 0.000 2.077 35 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 35 E C 0.927 177.617 176.600 0.150 0.000 0.989 35 E CA 0.475 56.932 56.400 0.095 0.000 0.800 35 E CB -0.209 29.533 29.700 0.071 0.000 0.746 35 E HN 0.429 nan 8.360 nan 0.000 0.452 39 G N 0.587 109.382 108.800 -0.008 0.000 2.446 39 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 39 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 39 G C 0.940 175.752 174.900 -0.147 0.000 1.168 39 G CA 1.110 46.111 45.100 -0.166 0.000 0.771 39 G HN 0.306 nan 8.290 nan 0.000 0.551 40 W N 0.870 122.066 121.300 -0.174 0.000 2.355 40 W HA 0.068 4.726 4.660 -0.003 0.000 0.309 40 W C 2.620 179.119 176.519 -0.034 0.000 1.206 40 W CA 0.467 57.758 57.345 -0.090 0.000 1.284 40 W CB -1.136 28.331 29.460 0.012 0.000 1.145 40 W HN 0.151 nan 8.180 nan 0.000 0.502 41 L N -0.039 121.323 121.223 0.232 0.000 2.131 41 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 41 L C 2.081 179.016 176.870 0.109 0.000 1.092 41 L CA 1.335 56.262 54.840 0.145 0.000 0.759 41 L CB -1.007 41.131 42.059 0.132 0.000 0.903 41 L HN -0.177 nan 8.230 nan 0.000 0.435 42 S N -0.968 114.795 115.700 0.105 0.000 2.603 42 S HA -0.028 4.441 4.470 -0.000 0.000 0.220 42 S C 0.466 175.116 174.600 0.084 0.000 0.967 42 S CA 0.015 58.269 58.200 0.091 0.000 0.920 42 S CB -0.064 63.196 63.200 0.101 0.000 0.773 42 S HN 0.403 nan 8.310 nan 0.000 0.529 43 E N -0.389 119.865 120.200 0.090 0.000 2.476 43 E HA -0.264 4.086 4.350 -0.000 0.000 0.251 43 E C 0.708 177.352 176.600 0.073 0.000 1.130 43 E CA 0.399 56.847 56.400 0.080 0.000 0.736 43 E CB -1.481 28.256 29.700 0.061 0.000 1.298 43 E HN 0.573 nan 8.360 nan 0.000 0.400 44 A N -0.203 122.654 122.820 0.062 0.000 2.238 44 A HA 0.245 4.565 4.320 -0.000 0.000 0.210 44 A C 0.760 178.371 177.584 0.045 0.000 1.179 44 A CA 0.155 52.262 52.037 0.118 0.000 0.827 44 A CB 0.780 19.922 19.000 0.237 0.000 0.856 44 A HN 0.077 nan 8.150 nan 0.000 0.488 45 V N 1.947 121.740 119.914 -0.203 0.000 2.370 45 V HA 0.274 4.394 4.120 -0.000 0.000 0.279 45 V C -2.452 173.605 176.094 -0.063 0.000 1.029 45 V CA -1.874 60.157 62.300 -0.449 0.000 0.870 45 V CB 1.072 32.429 31.823 -0.776 0.000 0.984 45 V HN 0.172 nan 8.190 nan 0.000 0.451 46 P HA 0.084 nan 4.420 nan 0.000 0.265 46 P C -1.928 175.423 177.300 0.085 0.000 1.187 46 P CA -0.813 62.337 63.100 0.084 0.000 0.766 46 P CB 0.195 31.969 31.700 0.122 0.000 0.820 47 P HA -0.150 nan 4.420 nan 0.000 0.217 47 P C 1.016 178.367 177.300 0.085 0.000 1.150 47 P CA 1.461 64.608 63.100 0.079 0.000 0.832 47 P CB 0.095 31.826 31.700 0.052 0.000 0.787 48 E N -0.091 120.155 120.200 0.077 0.000 2.097 48 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 48 E C 2.126 178.785 176.600 0.098 0.000 1.000 48 E CA 1.058 57.504 56.400 0.076 0.000 0.804 48 E CB -1.071 28.669 29.700 0.067 0.000 0.740 48 E HN 0.238 nan 8.360 nan 0.000 0.454 49 L N 0.133 121.425 121.223 0.116 0.000 2.131 49 L HA -0.097 4.243 4.340 -0.000 0.000 0.206 49 L C 2.283 179.251 176.870 0.163 0.000 1.087 49 L CA 0.755 55.676 54.840 0.134 0.000 0.767 49 L CB -0.211 41.938 42.059 0.149 0.000 0.917 49 L HN 0.084 nan 8.230 nan 0.000 0.441 50 S N 0.225 116.050 115.700 0.207 0.000 2.365 50 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 50 S C 2.015 176.762 174.600 0.245 0.000 1.039 50 S CA 1.485 59.910 58.200 0.375 0.000 1.033 50 S CB -0.769 62.651 63.200 0.367 0.000 0.887 50 S HN 0.612 nan 8.310 nan 0.000 0.447 51 G N 1.275 110.162 108.800 0.144 0.000 2.418 51 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.217 51 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.217 51 G C 1.576 176.542 174.900 0.111 0.000 1.158 51 G CA 0.954 46.115 45.100 0.102 0.000 0.771 51 G HN 0.584 nan 8.290 nan 0.000 0.545 52 A N 1.009 123.897 122.820 0.112 0.000 1.851 52 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 52 A C 2.421 180.074 177.584 0.116 0.000 1.195 52 A CA 1.587 53.685 52.037 0.101 0.000 0.622 52 A CB -0.495 18.562 19.000 0.094 0.000 0.831 52 A HN 0.369 nan 8.150 nan 0.000 0.444 53 I N -0.435 120.222 120.570 0.146 0.000 2.179 53 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 53 I C 2.404 178.618 176.117 0.162 0.000 1.088 53 I CA 1.168 62.557 61.300 0.149 0.000 1.357 53 I CB -0.354 37.740 38.000 0.156 0.000 1.051 53 I HN 0.290 nan 8.210 nan 0.000 0.409 54 L N -0.056 121.280 121.223 0.188 0.000 2.083 54 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 54 L C 2.567 179.491 176.870 0.090 0.000 1.083 54 L CA 1.489 56.391 54.840 0.103 0.000 0.752 54 L CB -0.830 41.253 42.059 0.039 0.000 0.899 54 L HN 0.272 nan 8.230 nan 0.000 0.433 55 T N -0.407 114.222 114.554 0.126 0.000 2.812 55 T HA -0.063 4.287 4.350 -0.000 0.000 0.264 55 T C 2.035 176.896 174.700 0.269 0.000 1.042 55 T CA 1.070 63.284 62.100 0.190 0.000 1.140 55 T CB -0.153 68.831 68.868 0.193 0.000 0.870 55 T HN 0.415 nan 8.240 nan 0.000 0.445 56 A N 1.440 124.365 122.820 0.175 0.000 1.902 56 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 56 A C 2.274 179.949 177.584 0.152 0.000 1.181 56 A CA 1.168 53.297 52.037 0.154 0.000 0.623 56 A CB -0.891 18.159 19.000 0.084 0.000 0.818 56 A HN 0.466 nan 8.150 nan 0.000 0.443 57 L N -0.296 120.991 121.223 0.105 0.000 2.083 57 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 57 L C 2.321 179.218 176.870 0.045 0.000 1.083 57 L CA 1.174 56.050 54.840 0.059 0.000 0.752 57 L CB -0.635 41.440 42.059 0.027 0.000 0.899 57 L HN 0.373 nan 8.230 nan 0.000 0.433 58 N N -0.043 118.687 118.700 0.050 0.000 2.084 58 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 58 N C 1.761 177.236 175.510 -0.058 0.000 1.030 58 N CA 1.502 54.528 53.050 -0.040 0.000 0.849 58 N CB -0.457 37.966 38.487 -0.106 0.000 1.012 58 N HN 0.181 nan 8.380 nan 0.000 0.423 59 F N 1.490 121.436 119.950 -0.006 0.000 2.186 59 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 59 F C 2.385 178.182 175.800 -0.005 0.000 1.090 59 F CA 1.000 58.998 58.000 -0.004 0.000 1.307 59 F CB -0.128 38.873 39.000 0.002 0.000 1.019 59 F HN 0.017 nan 8.300 nan 0.000 0.489 60 K N 0.413 120.918 120.400 0.176 0.000 2.097 60 K HA 0.101 4.421 4.320 -0.000 0.000 0.205 60 K C 0.511 177.137 176.600 0.044 0.000 1.050 60 K CA 1.047 57.389 56.287 0.092 0.000 0.938 60 K CB -0.286 32.255 32.500 0.068 0.000 0.718 60 K HN 0.299 nan 8.250 nan 0.000 0.442 61 G N 1.019 109.833 108.800 0.023 0.000 3.322 61 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 61 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 61 G C -0.662 174.234 174.900 -0.007 0.000 1.015 61 G CA -0.190 44.906 45.100 -0.007 0.000 0.826 61 G HN 0.219 nan 8.290 nan 0.000 0.538 62 V N 2.996 122.898 119.914 -0.020 0.000 2.843 62 V HA 0.610 4.730 4.120 -0.000 0.000 0.305 62 V C 1.316 177.397 176.094 -0.021 0.000 1.065 62 V CA 0.844 63.130 62.300 -0.023 0.000 1.116 62 V CB 1.415 33.214 31.823 -0.040 0.000 0.968 62 V HN 2.068 nan 8.190 nan 0.000 0.487 63 S N 5.149 120.838 115.700 -0.018 0.000 2.687 63 S HA 0.652 5.121 4.470 -0.000 0.000 0.283 63 S C 1.086 175.674 174.600 -0.019 0.000 1.170 63 S CA -0.131 58.060 58.200 -0.016 0.000 1.008 63 S CB 1.674 64.867 63.200 -0.011 0.000 1.026 63 S HN 1.341 nan 8.310 nan 0.000 0.541 64 A N 1.053 123.863 122.820 -0.017 0.000 1.902 64 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 64 A C 1.727 179.301 177.584 -0.016 0.000 1.181 64 A CA 1.762 53.788 52.037 -0.017 0.000 0.623 64 A CB -1.097 17.894 19.000 -0.014 0.000 0.818 64 A HN 0.878 nan 8.150 nan 0.000 0.443 65 D N -0.378 120.013 120.400 -0.014 0.000 2.144 65 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 65 D C 1.919 178.210 176.300 -0.014 0.000 0.978 65 D CA 1.302 55.294 54.000 -0.013 0.000 0.833 65 D CB -0.331 40.462 40.800 -0.012 0.000 0.961 65 D HN 0.650 nan 8.370 nan 0.000 0.470 66 E N 0.373 120.563 120.200 -0.016 0.000 2.038 66 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 66 E C 2.389 178.976 176.600 -0.022 0.000 1.000 66 E CA 0.606 56.994 56.400 -0.019 0.000 0.803 66 E CB -0.118 29.570 29.700 -0.020 0.000 0.750 66 E HN 0.233 nan 8.360 nan 0.000 0.448 67 L N 0.698 121.905 121.223 -0.028 0.000 2.042 67 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 67 L C 2.616 179.472 176.870 -0.023 0.000 1.076 67 L CA 1.365 56.185 54.840 -0.033 0.000 0.749 67 L CB -0.793 41.244 42.059 -0.037 0.000 0.893 67 L HN 0.216 nan 8.230 nan 0.000 0.432 68 T N -0.223 114.320 114.554 -0.018 0.000 2.652 68 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 68 T C 1.157 175.852 174.700 -0.009 0.000 1.039 68 T CA 1.019 63.111 62.100 -0.013 0.000 1.153 68 T CB -0.674 68.187 68.868 -0.011 0.000 0.863 68 T HN 0.523 nan 8.240 nan 0.000 0.428 72 E N 0.388 120.582 120.200 -0.009 0.000 2.051 72 E HA -0.112 4.237 4.350 -0.000 0.000 0.192 72 E C 1.839 178.440 176.600 0.002 0.000 0.991 72 E CA 1.651 58.049 56.400 -0.004 0.000 0.799 72 E CB -0.123 29.578 29.700 0.003 0.000 0.748 72 E HN 0.371 nan 8.360 nan 0.000 0.449 73 V N 1.685 121.605 119.914 0.010 0.000 2.295 73 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 73 V C 2.377 178.474 176.094 0.006 0.000 1.049 73 V CA 1.459 63.774 62.300 0.024 0.000 1.024 73 V CB -0.421 31.429 31.823 0.045 0.000 0.648 73 V HN 0.292 nan 8.190 nan 0.000 0.447 74 L N -0.435 120.763 121.223 -0.040 0.000 2.012 74 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 74 L C 2.696 179.435 176.870 -0.219 0.000 1.073 74 L CA 2.165 56.892 54.840 -0.190 0.000 0.748 74 L CB -0.543 41.358 42.059 -0.263 0.000 0.891 74 L HN 0.401 nan 8.230 nan 0.000 0.431 75 Q N 0.062 119.799 119.800 -0.105 0.000 2.234 75 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 75 Q C 2.100 178.133 176.000 0.053 0.000 0.980 75 Q CA 2.017 57.814 55.803 -0.010 0.000 0.869 75 Q CB -0.165 28.566 28.738 -0.011 0.000 0.912 75 Q HN 0.523 nan 8.270 nan 0.000 0.436 76 S N -1.281 114.444 115.700 0.043 0.000 2.561 76 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 76 S C 1.152 175.810 174.600 0.097 0.000 0.977 76 S CA 0.231 58.468 58.200 0.060 0.000 0.926 76 S CB 0.062 63.289 63.200 0.044 0.000 0.769 76 S HN 0.383 nan 8.310 nan 0.000 0.533 77 Q N 1.795 121.687 119.800 0.154 0.000 2.282 77 Q HA 0.229 4.569 4.340 -0.000 0.000 0.206 77 Q C 0.600 176.745 176.000 0.242 0.000 0.878 77 Q CA 0.217 56.149 55.803 0.215 0.000 0.944 77 Q CB 0.329 29.241 28.738 0.291 0.000 1.100 77 Q HN 0.712 nan 8.270 nan 0.000 0.509 78 S N 0.791 116.645 115.700 0.256 0.000 2.505 78 S HA 0.258 4.728 4.470 -0.000 0.000 0.276 78 S C 0.245 174.882 174.600 0.061 0.000 1.274 78 S CA -0.529 57.748 58.200 0.128 0.000 1.053 78 S CB 1.251 64.551 63.200 0.167 0.000 0.919 78 S HN 0.002 nan 8.310 nan 0.000 0.490 93 N N 0.848 119.524 118.700 -0.041 0.000 2.434 93 N HA 0.228 4.968 4.740 -0.000 0.000 0.196 93 N C 0.432 175.894 175.510 -0.079 0.000 1.183 93 N CA 0.314 53.332 53.050 -0.054 0.000 0.849 93 N CB 0.135 38.594 38.487 -0.048 0.000 0.992 93 N HN 0.665 nan 8.380 nan 0.000 0.460 94 S N 0.693 116.347 115.700 -0.076 0.000 2.580 94 S HA 0.199 4.669 4.470 -0.000 0.000 0.274 94 S C -1.264 173.203 174.600 -0.222 0.000 1.329 94 S CA -1.221 56.905 58.200 -0.123 0.000 1.036 94 S CB 0.754 63.940 63.200 -0.023 0.000 0.919 94 S HN 0.136 nan 8.310 nan 0.000 0.515 95 P HA 0.127 nan 4.420 nan 0.000 0.237 95 P C -0.417 176.593 177.300 -0.483 0.000 1.178 95 P CA 0.453 63.246 63.100 -0.512 0.000 0.766 95 P CB -0.067 31.203 31.700 -0.718 0.000 0.876 96 F N -0.278 119.670 119.950 -0.002 0.000 2.497 96 F HA 0.376 4.900 4.527 -0.006 0.000 0.331 96 F C 1.293 177.092 175.800 -0.002 0.000 1.060 96 F CA -1.393 56.614 58.000 0.011 0.000 0.989 96 F CB 0.233 39.253 39.000 0.034 0.000 1.245 96 F HN -0.382 nan 8.300 nan 0.000 0.486 97 S N 1.197 117.029 115.700 0.219 0.000 2.576 97 S HA 0.365 4.835 4.470 -0.000 0.000 0.276 97 S C 0.072 174.717 174.600 0.075 0.000 1.339 97 S CA -0.551 57.710 58.200 0.102 0.000 1.039 97 S CB 0.170 63.414 63.200 0.072 0.000 0.902 97 S HN 0.312 nan 8.310 nan 0.000 0.516 98 I N 4.100 124.689 120.570 0.032 0.000 2.668 98 I HA 0.116 4.286 4.170 -0.000 0.000 0.285 98 I C 0.379 176.489 176.117 -0.011 0.000 1.168 98 I CA 0.344 61.645 61.300 0.000 0.000 1.424 98 I CB -0.288 37.701 38.000 -0.017 0.000 1.377 98 I HN 0.527 nan 8.210 nan 0.000 0.560 99 I N 2.809 123.361 120.570 -0.030 0.000 3.108 99 I HA 0.750 4.920 4.170 -0.000 0.000 0.312 99 I C -1.159 174.918 176.117 -0.066 0.000 1.095 99 I CA -0.769 60.508 61.300 -0.038 0.000 1.000 99 I CB 2.374 40.352 38.000 -0.036 0.000 1.229 99 I HN 0.323 nan 8.210 nan 0.000 0.454 100 D N 0.840 121.210 120.400 -0.049 0.000 2.645 100 D HA 0.564 5.204 4.640 -0.000 0.000 0.228 100 D C -1.523 174.762 176.300 -0.026 0.000 1.148 100 D CA -0.066 53.904 54.000 -0.051 0.000 0.860 100 D CB 2.723 43.516 40.800 -0.010 0.000 1.548 100 D HN 0.793 nan 8.370 nan 0.000 0.460 101 T N 1.152 115.691 114.554 -0.026 0.000 2.991 101 T HA 0.663 5.012 4.350 -0.000 0.000 0.303 101 T C -0.911 173.810 174.700 0.035 0.000 1.015 101 T CA -0.295 61.804 62.100 -0.001 0.000 1.007 101 T CB -0.359 68.495 68.868 -0.024 0.000 1.034 101 T HN 0.661 nan 8.240 nan 0.000 0.446 102 C N 2.036 121.381 119.300 0.075 0.000 3.312 102 C HA 1.009 5.469 4.460 -0.000 0.000 0.332 102 C C 0.355 175.424 174.990 0.131 0.000 1.340 102 C CA -0.512 58.590 59.018 0.140 0.000 1.265 102 C CB 0.908 28.814 27.740 0.276 0.000 1.563 102 C HN 1.146 nan 8.230 nan 0.000 0.471 103 G N -0.176 108.722 108.800 0.163 0.000 2.537 103 G HA2 0.591 4.550 3.960 -0.000 0.000 0.323 103 G HA3 0.591 4.550 3.960 -0.000 0.000 0.323 103 G C 0.670 175.705 174.900 0.225 0.000 1.207 103 G CA 0.245 45.404 45.100 0.099 0.000 0.976 103 G HN 1.530 nan 8.290 nan 0.000 0.487 104 T N -1.866 112.780 114.554 0.153 0.000 3.035 104 T HA 0.171 4.521 4.350 -0.000 0.000 0.268 104 T C 1.287 176.206 174.700 0.366 0.000 1.109 104 T CA 0.788 63.004 62.100 0.194 0.000 1.119 104 T CB -0.095 68.858 68.868 0.142 0.000 0.900 104 T HN 0.703 nan 8.240 nan 0.000 0.503 110 S N 2.223 117.972 115.700 0.081 0.000 2.428 110 S HA 0.136 4.606 4.470 -0.000 0.000 0.230 110 S C 1.114 175.760 174.600 0.077 0.000 1.014 110 S CA 1.372 59.613 58.200 0.068 0.000 0.957 110 S CB -1.135 62.103 63.200 0.063 0.000 0.784 110 S HN 1.104 nan 8.310 nan 0.000 0.499 111 T N 0.635 115.228 114.554 0.065 0.000 2.874 111 T HA 0.527 4.877 4.350 -0.000 0.000 0.281 111 T C 0.396 175.148 174.700 0.088 0.000 0.994 111 T CA -0.889 61.247 62.100 0.060 0.000 1.015 111 T CB 0.225 69.054 68.868 -0.065 0.000 1.028 111 T HN 0.404 nan 8.240 nan 0.000 0.523 112 F N 0.187 120.160 119.950 0.039 0.000 2.444 112 F HA 0.337 4.865 4.527 0.002 0.000 0.297 112 F C 0.717 176.552 175.800 0.058 0.000 1.295 112 F CA -1.179 56.847 58.000 0.043 0.000 1.286 112 F CB -0.087 38.935 39.000 0.036 0.000 1.298 112 F HN 0.423 nan 8.300 nan 0.000 0.531 113 N N 1.635 120.430 118.700 0.158 0.000 3.245 113 N HA 0.153 4.893 4.740 -0.000 0.000 0.296 113 N C 1.141 176.623 175.510 -0.048 0.000 1.254 113 N CA 0.150 53.236 53.050 0.060 0.000 1.190 113 N CB 0.222 38.808 38.487 0.165 0.000 1.460 113 N HN 0.641 nan 8.380 nan 0.000 0.538 114 I N 0.396 120.757 120.570 -0.349 0.000 2.226 114 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 114 I C 2.461 178.535 176.117 -0.071 0.000 1.100 114 I CA 1.137 62.220 61.300 -0.363 0.000 1.374 114 I CB -0.085 37.624 38.000 -0.486 0.000 1.057 114 I HN 0.340 nan 8.210 nan 0.000 0.413 115 S N -0.438 115.243 115.700 -0.032 0.000 2.406 115 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 115 S C 1.962 176.618 174.600 0.094 0.000 1.020 115 S CA 1.532 59.746 58.200 0.023 0.000 0.965 115 S CB -0.749 62.466 63.200 0.026 0.000 0.798 115 S HN 0.352 nan 8.310 nan 0.000 0.488 116 T N 2.696 117.352 114.554 0.169 0.000 2.746 116 T HA 0.072 4.422 4.350 -0.000 0.000 0.267 116 T C 2.235 177.161 174.700 0.377 0.000 1.039 116 T CA 1.426 63.711 62.100 0.307 0.000 1.142 116 T CB -0.883 68.183 68.868 0.330 0.000 0.866 116 T HN 0.643 nan 8.240 nan 0.000 0.444 117 A N 1.064 124.080 122.820 0.325 0.000 1.883 117 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 117 A C 2.595 180.334 177.584 0.258 0.000 1.186 117 A CA 1.501 53.745 52.037 0.345 0.000 0.624 117 A CB -1.133 18.056 19.000 0.315 0.000 0.822 117 A HN 0.349 nan 8.150 nan 0.000 0.444 118 V N -0.121 119.880 119.914 0.144 0.000 2.332 118 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 118 V C 3.049 179.169 176.094 0.043 0.000 1.055 118 V CA 1.982 64.327 62.300 0.074 0.000 1.038 118 V CB -1.290 30.545 31.823 0.020 0.000 0.651 118 V HN 0.649 nan 8.190 nan 0.000 0.450 119 A N -0.169 122.652 122.820 0.002 0.000 1.865 119 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 119 A C 2.025 179.512 177.584 -0.162 0.000 1.191 119 A CA 2.117 54.059 52.037 -0.159 0.000 0.623 119 A CB -0.817 17.986 19.000 -0.328 0.000 0.826 119 A HN 0.458 nan 8.150 nan 0.000 0.444 120 F N 0.085 120.099 119.950 0.108 0.000 2.095 120 F HA -0.178 4.351 4.527 0.004 0.000 0.298 120 F C 2.502 178.354 175.800 0.086 0.000 1.104 120 F CA 1.509 59.574 58.000 0.108 0.000 1.232 120 F CB -0.963 38.124 39.000 0.145 0.000 0.987 120 F HN 0.024 nan 8.300 nan 0.000 0.475 121 V N 0.193 120.255 119.914 0.248 0.000 2.282 121 V HA -0.375 3.745 4.120 -0.000 0.000 0.249 121 V C 2.597 178.753 176.094 0.103 0.000 1.057 121 V CA 1.998 64.390 62.300 0.154 0.000 1.032 121 V CB -1.518 30.370 31.823 0.108 0.000 0.645 121 V HN 0.395 nan 8.190 nan 0.000 0.447 122 A N -0.192 122.657 122.820 0.048 0.000 1.902 122 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 122 A C 2.403 180.022 177.584 0.059 0.000 1.181 122 A CA 2.056 54.101 52.037 0.014 0.000 0.623 122 A CB -0.789 18.184 19.000 -0.045 0.000 0.818 122 A HN 0.597 nan 8.150 nan 0.000 0.443 123 A N -0.244 122.600 122.820 0.040 0.000 1.969 123 A HA 0.225 4.545 4.320 -0.000 0.000 0.218 123 A C 2.422 180.070 177.584 0.107 0.000 1.169 123 A CA 1.778 53.842 52.037 0.044 0.000 0.635 123 A CB -0.860 18.135 19.000 -0.008 0.000 0.810 123 A HN 1.044 nan 8.150 nan 0.000 0.445 124 A N -1.931 120.979 122.820 0.150 0.000 2.019 124 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 124 A C 1.981 179.667 177.584 0.170 0.000 1.164 124 A CA 1.485 53.615 52.037 0.155 0.000 0.644 124 A CB -0.642 18.461 19.000 0.172 0.000 0.805 124 A HN 0.651 nan 8.150 nan 0.000 0.449 125 Y N -0.267 120.059 120.300 0.042 0.000 2.546 125 Y HA 0.278 4.827 4.550 -0.002 0.000 0.287 125 Y C 1.639 177.614 175.900 0.126 0.000 1.158 125 Y CA 0.607 58.730 58.100 0.038 0.000 1.307 125 Y CB 0.025 38.452 38.460 -0.055 0.000 1.036 125 Y HN 0.456 nan 8.280 nan 0.000 0.532 126 G N -0.424 108.458 108.800 0.137 0.000 2.179 126 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 126 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 126 G C -0.278 174.797 174.900 0.293 0.000 0.990 126 G CA 0.099 45.301 45.100 0.170 0.000 0.646 126 G HN 0.143 nan 8.290 nan 0.000 0.517 127 V N 2.781 122.836 119.914 0.235 0.000 2.508 127 V HA 0.400 4.520 4.120 -0.000 0.000 0.281 127 V C -1.557 174.586 176.094 0.082 0.000 1.041 127 V CA -1.125 61.287 62.300 0.186 0.000 1.016 127 V CB 1.232 33.066 31.823 0.017 0.000 0.984 127 V HN 0.178 nan 8.190 nan 0.000 0.478 128 P HA 0.210 nan 4.420 nan 0.000 0.276 128 P C -0.784 176.482 177.300 -0.058 0.000 1.253 128 P CA -0.024 63.070 63.100 -0.011 0.000 0.766 128 P CB 0.713 32.408 31.700 -0.008 0.000 0.845 129 V N 3.513 123.352 119.914 -0.124 0.000 2.378 129 V HA 0.555 4.675 4.120 -0.000 0.000 0.288 129 V C 0.448 176.387 176.094 -0.258 0.000 1.016 129 V CA -0.803 61.382 62.300 -0.192 0.000 0.840 129 V CB 1.355 33.025 31.823 -0.254 0.000 0.994 129 V HN 0.587 nan 8.190 nan 0.000 0.431 130 A N 4.690 127.384 122.820 -0.209 0.000 2.582 130 A HA 0.543 4.862 4.320 -0.000 0.000 0.336 130 A C 0.019 177.458 177.584 -0.242 0.000 1.445 130 A CA -0.492 51.414 52.037 -0.218 0.000 0.997 130 A CB 0.011 18.933 19.000 -0.130 0.000 1.148 130 A HN 0.767 nan 8.150 nan 0.000 0.514 131 K N 1.682 121.823 120.400 -0.432 0.000 2.276 131 K HA 0.350 4.670 4.320 -0.000 0.000 0.285 131 K C -0.584 175.835 176.600 -0.302 0.000 1.062 131 K CA -0.190 55.837 56.287 -0.433 0.000 0.918 131 K CB 0.199 32.211 32.500 -0.814 0.000 1.055 131 K HN 0.805 nan 8.250 nan 0.000 0.477 132 H N 2.045 120.965 119.070 -0.249 0.000 2.524 132 H HA 0.721 5.278 4.556 0.002 0.000 0.353 132 H C -0.320 174.826 175.328 -0.303 0.000 1.136 132 H CA -0.031 55.899 56.048 -0.196 0.000 1.193 132 H CB 1.718 31.486 29.762 0.009 0.000 1.558 132 H HN 0.739 nan 8.280 nan 0.000 0.515 133 G N 2.904 111.183 108.800 -0.869 0.000 2.561 133 G HA2 0.114 4.074 3.960 -0.000 0.000 0.310 133 G HA3 0.114 4.074 3.960 -0.000 0.000 0.310 133 G C -1.407 173.011 174.900 -0.804 0.000 1.292 133 G CA -0.973 43.488 45.100 -1.065 0.000 0.811 133 G HN 0.692 nan 8.290 nan 0.000 0.482 134 N N -0.578 117.649 118.700 -0.789 0.000 2.492 134 N HA 0.532 5.272 4.740 -0.000 0.000 0.289 134 N C 0.227 175.620 175.510 -0.195 0.000 1.133 134 N CA -0.592 52.189 53.050 -0.448 0.000 0.961 134 N CB 1.880 40.117 38.487 -0.417 0.000 1.186 134 N HN 0.585 nan 8.380 nan 0.000 0.493 135 R N 0.917 121.332 120.500 -0.140 0.000 2.563 135 R HA 0.183 4.523 4.340 -0.000 0.000 0.443 135 R C -0.540 175.689 176.300 -0.117 0.000 0.956 135 R CA -0.229 55.752 56.100 -0.197 0.000 1.141 135 R CB -0.264 29.933 30.300 -0.172 0.000 1.553 135 R HN 0.763 nan 8.270 nan 0.000 0.577 140 L N -0.736 120.467 121.223 -0.032 0.000 6.783 140 L HA -0.162 4.178 4.340 -0.000 0.000 0.053 140 L C 0.994 177.851 176.870 -0.023 0.000 2.106 140 L CA 1.211 56.040 54.840 -0.019 0.000 1.534 140 L CB -1.833 40.224 42.059 -0.005 0.000 2.866 140 L HN 1.147 nan 8.230 nan 0.000 1.099 141 T N 0.591 115.138 114.554 -0.011 0.000 3.584 141 T HA 0.508 4.858 4.350 -0.000 0.000 0.259 141 T C 0.156 174.854 174.700 -0.002 0.000 1.009 141 T CA 0.242 62.340 62.100 -0.004 0.000 1.103 141 T CB -0.674 68.206 68.868 0.019 0.000 1.099 141 T HN 0.796 nan 8.240 nan 0.000 0.539 142 G N 0.244 109.022 108.800 -0.036 0.000 2.606 142 G HA2 0.335 4.295 3.960 -0.000 0.000 0.252 142 G HA3 0.335 4.295 3.960 -0.000 0.000 0.252 142 G C 1.204 176.065 174.900 -0.065 0.000 1.206 142 G CA 0.138 45.210 45.100 -0.048 0.000 0.861 142 G HN 0.343 nan 8.290 nan 0.000 0.561 143 S N 0.645 116.331 115.700 -0.023 0.000 2.390 143 S HA -0.290 4.179 4.470 -0.000 0.000 0.234 143 S C 2.723 177.230 174.600 -0.154 0.000 1.063 143 S CA 2.494 60.708 58.200 0.024 0.000 1.108 143 S CB -0.584 62.748 63.200 0.220 0.000 0.975 143 S HN 1.003 nan 8.310 nan 0.000 0.442 144 A N 1.480 123.995 122.820 -0.509 0.000 1.902 144 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 144 A C 1.913 179.265 177.584 -0.387 0.000 1.181 144 A CA 1.901 53.428 52.037 -0.850 0.000 0.623 144 A CB -0.912 17.304 19.000 -1.306 0.000 0.818 144 A HN 0.696 nan 8.150 nan 0.000 0.443 145 D N -0.136 120.105 120.400 -0.265 0.000 2.097 145 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 145 D C 2.114 178.357 176.300 -0.094 0.000 0.989 145 D CA 1.648 55.558 54.000 -0.151 0.000 0.827 145 D CB -0.434 40.301 40.800 -0.108 0.000 0.966 145 D HN 0.262 nan 8.370 nan 0.000 0.456 146 V N 1.720 121.592 119.914 -0.070 0.000 2.261 146 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 146 V C 2.768 178.848 176.094 -0.023 0.000 1.047 146 V CA 1.123 63.411 62.300 -0.019 0.000 1.015 146 V CB -0.561 31.276 31.823 0.023 0.000 0.642 146 V HN 0.168 nan 8.190 nan 0.000 0.446 147 L N -0.317 120.871 121.223 -0.059 0.000 2.042 147 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 147 L C 2.642 179.479 176.870 -0.056 0.000 1.076 147 L CA 1.878 56.673 54.840 -0.075 0.000 0.749 147 L CB -0.623 41.338 42.059 -0.163 0.000 0.893 147 L HN 0.418 nan 8.230 nan 0.000 0.432 148 E N -0.208 119.947 120.200 -0.075 0.000 2.118 148 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 148 E C 2.172 178.754 176.600 -0.030 0.000 0.992 148 E CA 1.161 57.528 56.400 -0.055 0.000 0.804 148 E CB -0.137 29.517 29.700 -0.078 0.000 0.741 148 E HN 0.517 nan 8.360 nan 0.000 0.458 149 A N 0.458 123.264 122.820 -0.023 0.000 2.119 149 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 149 A C 1.908 179.505 177.584 0.020 0.000 1.153 149 A CA 0.682 52.717 52.037 -0.003 0.000 0.692 149 A CB -0.118 18.881 19.000 -0.001 0.000 0.799 149 A HN 0.137 nan 8.150 nan 0.000 0.458 150 L N -1.781 119.458 121.223 0.026 0.000 2.607 150 L HA 0.275 4.614 4.340 -0.000 0.000 0.228 150 L C 1.475 178.360 176.870 0.024 0.000 1.123 150 L CA 0.604 55.478 54.840 0.058 0.000 0.890 150 L CB 0.291 42.395 42.059 0.076 0.000 1.103 150 L HN 0.534 nan 8.230 nan 0.000 0.468 151 G N -0.178 108.624 108.800 0.004 0.000 2.154 151 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.186 151 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.186 151 G C 0.098 174.995 174.900 -0.005 0.000 1.000 151 G CA -0.324 44.776 45.100 -0.000 0.000 0.664 151 G HN 0.006 nan 8.290 nan 0.000 0.513 152 V N 1.731 121.640 119.914 -0.008 0.000 2.521 152 V HA 0.195 4.315 4.120 -0.000 0.000 0.286 152 V C 1.005 177.111 176.094 0.019 0.000 1.034 152 V CA 0.031 62.339 62.300 0.013 0.000 1.045 152 V CB 1.450 33.274 31.823 0.002 0.000 0.974 152 V HN 0.459 nan 8.190 nan 0.000 0.480 153 N N 5.069 123.790 118.700 0.035 0.000 2.663 153 N HA 0.194 4.934 4.740 -0.000 0.000 0.250 153 N C 0.589 176.135 175.510 0.060 0.000 1.129 153 N CA -0.432 52.634 53.050 0.028 0.000 0.995 153 N CB 0.504 38.997 38.487 0.010 0.000 1.324 153 N HN 0.686 nan 8.380 nan 0.000 0.512 154 L N 2.157 123.420 121.223 0.066 0.000 2.599 154 L HA 0.156 4.496 4.340 -0.000 0.000 0.230 154 L C 2.175 179.092 176.870 0.079 0.000 1.141 154 L CA 0.045 54.957 54.840 0.120 0.000 0.877 154 L CB 0.052 42.208 42.059 0.161 0.000 1.009 154 L HN 0.506 nan 8.230 nan 0.000 0.447 155 G N 0.247 109.071 108.800 0.040 0.000 2.848 155 G HA2 0.142 4.102 3.960 -0.000 0.000 0.208 155 G HA3 0.142 4.102 3.960 -0.000 0.000 0.208 155 G C 0.897 175.813 174.900 0.027 0.000 1.152 155 G CA 0.314 45.429 45.100 0.025 0.000 0.789 155 G HN 0.386 nan 8.290 nan 0.000 0.531 156 A N 0.737 123.582 122.820 0.041 0.000 2.466 156 A HA 0.494 4.814 4.320 -0.000 0.000 0.238 156 A C 1.145 178.750 177.584 0.035 0.000 1.074 156 A CA 0.384 52.441 52.037 0.033 0.000 0.774 156 A CB 0.155 19.189 19.000 0.057 0.000 1.015 156 A HN 0.884 nan 8.150 nan 0.000 0.498 157 S N 1.770 117.481 115.700 0.019 0.000 2.585 157 S HA 0.291 4.761 4.470 -0.000 0.000 0.273 157 S C -1.837 172.786 174.600 0.038 0.000 1.339 157 S CA -0.594 57.618 58.200 0.020 0.000 1.028 157 S CB 0.459 63.663 63.200 0.006 0.000 0.906 157 S HN 0.456 nan 8.310 nan 0.000 0.528 158 P HA -0.146 nan 4.420 nan 0.000 0.216 158 P C 1.375 178.703 177.300 0.046 0.000 1.150 158 P CA 1.431 64.555 63.100 0.040 0.000 0.843 158 P CB 0.040 31.758 31.700 0.030 0.000 0.787 159 E N -0.128 120.096 120.200 0.040 0.000 2.077 159 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 159 E C 1.911 178.559 176.600 0.080 0.000 0.989 159 E CA 1.140 57.569 56.400 0.048 0.000 0.800 159 E CB -0.147 29.571 29.700 0.030 0.000 0.746 159 E HN 0.021 nan 8.360 nan 0.000 0.452 160 K N 0.163 120.607 120.400 0.075 0.000 2.097 160 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 160 K C 2.139 178.875 176.600 0.228 0.000 1.050 160 K CA 0.771 57.138 56.287 0.134 0.000 0.938 160 K CB -0.104 32.414 32.500 0.030 0.000 0.718 160 K HN 0.119 nan 8.250 nan 0.000 0.442 161 V N 1.738 121.736 119.914 0.140 0.000 2.295 161 V HA -0.244 3.875 4.120 -0.000 0.000 0.246 161 V C 2.465 178.611 176.094 0.087 0.000 1.049 161 V CA 1.652 64.023 62.300 0.118 0.000 1.024 161 V CB -0.372 31.499 31.823 0.079 0.000 0.648 161 V HN 0.363 nan 8.190 nan 0.000 0.447 162 Q N -0.445 119.398 119.800 0.072 0.000 2.079 162 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 162 Q C 2.473 178.506 176.000 0.054 0.000 0.974 162 Q CA 1.628 57.458 55.803 0.045 0.000 0.840 162 Q CB -0.389 28.372 28.738 0.038 0.000 0.898 162 Q HN 0.659 nan 8.270 nan 0.000 0.430 163 A N 1.361 124.253 122.820 0.120 0.000 1.948 163 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 163 A C 2.315 179.910 177.584 0.018 0.000 1.177 163 A CA 1.812 53.944 52.037 0.159 0.000 0.636 163 A CB -0.692 18.520 19.000 0.355 0.000 0.815 163 A HN 0.407 nan 8.150 nan 0.000 0.449 164 A N -0.732 122.100 122.820 0.021 0.000 1.933 164 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 164 A C 2.094 179.539 177.584 -0.232 0.000 1.175 164 A CA 1.674 53.529 52.037 -0.304 0.000 0.628 164 A CB -0.557 18.417 19.000 -0.043 0.000 0.814 164 A HN 0.650 nan 8.150 nan 0.000 0.444 165 L N -0.474 120.680 121.223 -0.115 0.000 2.042 165 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 165 L C 2.445 179.250 176.870 -0.108 0.000 1.076 165 L CA 2.161 56.936 54.840 -0.109 0.000 0.749 165 L CB -0.575 41.437 42.059 -0.079 0.000 0.893 165 L HN 0.378 nan 8.230 nan 0.000 0.432 166 Q N -0.537 119.207 119.800 -0.095 0.000 2.049 166 Q HA -0.131 4.209 4.340 -0.000 0.000 0.198 166 Q C 2.151 178.084 176.000 -0.112 0.000 0.971 166 Q CA 1.572 57.329 55.803 -0.077 0.000 0.833 166 Q CB -0.137 28.579 28.738 -0.037 0.000 0.896 166 Q HN 0.639 nan 8.270 nan 0.000 0.434 167 E N -0.318 119.762 120.200 -0.199 0.000 2.276 167 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 167 E C 1.769 178.194 176.600 -0.292 0.000 0.983 167 E CA 0.393 56.648 56.400 -0.242 0.000 0.861 167 E CB 0.758 30.269 29.700 -0.315 0.000 0.817 167 E HN 0.077 nan 8.360 nan 0.000 0.485 168 V N -0.993 118.713 119.914 -0.347 0.000 3.307 168 V HA 0.183 4.303 4.120 -0.000 0.000 0.244 168 V C 1.392 177.414 176.094 -0.120 0.000 1.196 168 V CA 0.891 63.049 62.300 -0.237 0.000 1.132 168 V CB 1.025 32.676 31.823 -0.287 0.000 0.875 168 V HN 0.387 nan 8.190 nan 0.000 0.468 169 G N 0.800 109.523 108.800 -0.128 0.000 2.176 169 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.232 169 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.232 169 G C -0.108 174.731 174.900 -0.101 0.000 0.986 169 G CA 0.276 45.328 45.100 -0.081 0.000 0.643 169 G HN 0.511 nan 8.290 nan 0.000 0.522 170 I N -0.254 120.237 120.570 -0.132 0.000 2.787 170 I HA 0.699 4.869 4.170 -0.000 0.000 0.294 170 I C -1.104 174.898 176.117 -0.193 0.000 1.365 170 I CA -0.222 60.948 61.300 -0.218 0.000 1.029 170 I CB 2.302 40.132 38.000 -0.284 0.000 1.313 170 I HN 0.136 nan 8.210 nan 0.000 0.431 171 T N 5.425 119.803 114.554 -0.294 0.000 2.868 171 T HA 0.648 4.998 4.350 -0.000 0.000 0.306 171 T C -1.821 172.645 174.700 -0.390 0.000 1.224 171 T CA -0.268 61.732 62.100 -0.168 0.000 1.012 171 T CB 1.013 69.834 68.868 -0.078 0.000 1.221 171 T HN 0.307 nan 8.240 nan 0.000 0.499 172 F N 2.634 122.475 119.950 -0.181 0.000 2.449 172 F HA 0.608 5.138 4.527 0.004 0.000 0.342 172 F C -0.146 175.408 175.800 -0.411 0.000 1.127 172 F CA -0.792 56.972 58.000 -0.393 0.000 0.975 172 F CB 1.613 40.351 39.000 -0.436 0.000 1.146 172 F HN 0.242 nan 8.300 nan 0.000 0.444 173 L N 4.916 125.933 121.223 -0.343 0.000 2.301 173 L HA 0.442 4.782 4.340 -0.000 0.000 0.278 173 L C -1.347 175.348 176.870 -0.291 0.000 1.022 173 L CA -0.422 54.313 54.840 -0.174 0.000 0.854 173 L CB 0.387 42.458 42.059 0.020 0.000 1.226 173 L HN 0.438 nan 8.230 nan 0.000 0.429 174 F N 2.629 122.583 119.950 0.007 0.000 2.426 174 F HA 0.687 5.215 4.527 0.002 0.000 0.348 174 F C 0.511 176.271 175.800 -0.066 0.000 1.124 174 F CA -0.592 57.354 58.000 -0.090 0.000 1.008 174 F CB 1.723 40.681 39.000 -0.070 0.000 1.139 174 F HN 0.359 nan 8.300 nan 0.000 0.452 175 A N 4.505 127.385 122.820 0.099 0.000 2.435 175 A HA 0.937 5.256 4.320 -0.000 0.000 0.296 175 A C -2.929 174.679 177.584 0.040 0.000 1.147 175 A CA -2.148 49.929 52.037 0.067 0.000 0.775 175 A CB 1.470 20.505 19.000 0.058 0.000 1.340 175 A HN 0.401 nan 8.150 nan 0.000 0.427 176 P HA 0.362 nan 4.420 nan 0.000 0.276 176 P C 0.660 178.005 177.300 0.075 0.000 1.235 176 P CA 1.511 64.628 63.100 0.028 0.000 0.772 176 P CB 0.834 32.541 31.700 0.012 0.000 0.871 177 G N 1.943 110.807 108.800 0.106 0.000 2.221 177 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.265 177 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.265 177 G C 0.220 175.361 174.900 0.402 0.000 1.041 177 G CA 0.374 45.598 45.100 0.207 0.000 0.807 177 G HN 0.501 nan 8.290 nan 0.000 0.502 178 W N -2.479 118.842 121.300 0.035 0.000 0.764 178 W HA -0.256 4.402 4.660 -0.003 0.000 0.224 178 W C 1.005 177.599 176.519 0.125 0.000 1.033 178 W CA 2.059 59.415 57.345 0.018 0.000 0.992 178 W CB -1.431 28.066 29.460 0.062 0.000 1.776 178 W HN 1.018 nan 8.180 nan 0.000 0.507 179 H N 2.312 121.585 119.070 0.338 0.000 2.466 179 H HA 0.322 4.878 4.556 0.000 0.000 0.338 179 H C -1.192 174.223 175.328 0.145 0.000 1.091 179 H CA -1.663 54.534 56.048 0.248 0.000 1.207 179 H CB 2.146 32.047 29.762 0.231 0.000 1.466 179 H HN -0.293 nan 8.280 nan 0.000 0.493 180 P HA -0.165 nan 4.420 nan 0.000 0.218 180 P C 0.963 178.293 177.300 0.051 0.000 1.149 180 P CA 1.554 64.634 63.100 -0.033 0.000 0.817 180 P CB 0.095 31.737 31.700 -0.097 0.000 0.785 181 A N 0.139 123.054 122.820 0.158 0.000 2.019 181 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 181 A C 2.243 179.902 177.584 0.125 0.000 1.164 181 A CA 0.919 53.073 52.037 0.194 0.000 0.644 181 A CB -1.584 17.600 19.000 0.307 0.000 0.805 181 A HN 0.148 nan 8.150 nan 0.000 0.449 182 L N -0.833 120.467 121.223 0.128 0.000 2.549 182 L HA -0.197 4.143 4.340 -0.000 0.000 0.230 182 L C 3.005 179.817 176.870 -0.098 0.000 1.162 182 L CA 0.958 55.773 54.840 -0.041 0.000 0.834 182 L CB -0.898 41.133 42.059 -0.047 0.000 0.947 182 L HN 0.580 nan 8.230 nan 0.000 0.452 183 K N 0.843 121.225 120.400 -0.030 0.000 2.089 183 K HA -0.236 4.083 4.320 -0.000 0.000 0.210 183 K C 2.228 178.784 176.600 -0.073 0.000 1.048 183 K CA 1.766 58.028 56.287 -0.043 0.000 0.926 183 K CB -1.340 31.153 32.500 -0.011 0.000 0.714 183 K HN 0.469 nan 8.250 nan 0.000 0.448 184 A N 0.655 123.439 122.820 -0.059 0.000 2.032 184 A HA -0.001 4.319 4.320 -0.000 0.000 0.221 184 A C 2.301 179.806 177.584 -0.133 0.000 1.165 184 A CA 2.364 54.367 52.037 -0.057 0.000 0.645 184 A CB -0.563 18.434 19.000 -0.004 0.000 0.807 184 A HN 1.204 nan 8.150 nan 0.000 0.453 185 V N -4.954 114.804 119.914 -0.260 0.000 3.427 185 V HA 0.625 4.744 4.120 -0.000 0.000 0.305 185 V C 1.739 177.612 176.094 -0.369 0.000 1.412 185 V CA 0.512 62.557 62.300 -0.425 0.000 1.086 185 V CB -0.554 30.739 31.823 -0.884 0.000 0.964 185 V HN 0.398 nan 8.190 nan 0.000 0.439 186 A N 1.245 123.923 122.820 -0.237 0.000 1.930 186 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 186 A C 2.210 179.719 177.584 -0.126 0.000 1.175 186 A CA 2.427 54.361 52.037 -0.171 0.000 0.627 186 A CB -0.899 18.036 19.000 -0.107 0.000 0.815 186 A HN 0.505 nan 8.150 nan 0.000 0.443 187 T N 0.307 114.797 114.554 -0.106 0.000 2.708 187 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 187 T C 1.863 176.516 174.700 -0.079 0.000 1.037 187 T CA 1.543 63.599 62.100 -0.073 0.000 1.146 187 T CB -0.440 68.396 68.868 -0.053 0.000 0.865 187 T HN 0.362 nan 8.240 nan 0.000 0.435 188 L N 1.541 122.698 121.223 -0.109 0.000 1.990 188 L HA -0.130 4.210 4.340 -0.000 0.000 0.213 188 L C 2.464 179.278 176.870 -0.094 0.000 1.072 188 L CA 1.834 56.612 54.840 -0.104 0.000 0.755 188 L CB -0.477 41.482 42.059 -0.168 0.000 0.889 188 L HN 0.067 nan 8.230 nan 0.000 0.432 189 R N -0.761 119.658 120.500 -0.136 0.000 2.073 189 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 189 R C 2.412 178.678 176.300 -0.057 0.000 1.134 189 R CA 1.376 57.419 56.100 -0.094 0.000 0.952 189 R CB -0.621 29.595 30.300 -0.140 0.000 0.850 189 R HN 0.290 nan 8.270 nan 0.000 0.433 190 R N 0.967 121.430 120.500 -0.062 0.000 2.091 190 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 190 R C 1.936 178.218 176.300 -0.030 0.000 1.136 190 R CA 2.166 58.242 56.100 -0.040 0.000 0.959 190 R CB -1.018 29.257 30.300 -0.041 0.000 0.856 190 R HN 0.136 nan 8.270 nan 0.000 0.437 191 T N 0.882 115.417 114.554 -0.032 0.000 2.821 191 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 191 T C 1.754 176.447 174.700 -0.011 0.000 1.046 191 T CA 1.348 63.437 62.100 -0.018 0.000 1.139 191 T CB -0.105 68.754 68.868 -0.016 0.000 0.871 191 T HN 0.137 nan 8.240 nan 0.000 0.454 192 L N -0.027 121.188 121.223 -0.013 0.000 2.179 192 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 192 L C 1.856 178.724 176.870 -0.003 0.000 1.096 192 L CA 0.577 55.416 54.840 -0.002 0.000 0.779 192 L CB -0.146 41.915 42.059 0.003 0.000 0.922 192 L HN 0.135 nan 8.230 nan 0.000 0.443 193 R N -0.559 119.934 120.500 -0.011 0.000 3.702 193 R HA -0.251 4.089 4.340 -0.000 0.000 0.318 193 R C 0.766 177.056 176.300 -0.017 0.000 0.704 193 R CA 1.964 58.056 56.100 -0.014 0.000 1.693 193 R CB -2.376 27.916 30.300 -0.013 0.000 1.795 193 R HN 0.527 nan 8.270 nan 0.000 0.489 194 I N 1.309 121.871 120.570 -0.013 0.000 2.993 194 I HA 0.124 4.294 4.170 -0.000 0.000 0.286 194 I C 0.829 176.932 176.117 -0.023 0.000 1.215 194 I CA -0.189 61.098 61.300 -0.022 0.000 1.393 194 I CB 0.326 38.316 38.000 -0.016 0.000 1.371 194 I HN -0.011 nan 8.210 nan 0.000 0.602 195 R N 2.578 123.055 120.500 -0.039 0.000 2.590 195 R HA 0.321 4.661 4.340 -0.000 0.000 0.274 195 R C 0.100 176.379 176.300 -0.035 0.000 1.061 195 R CA 0.388 56.467 56.100 -0.035 0.000 1.081 195 R CB 0.722 30.992 30.300 -0.050 0.000 0.984 195 R HN 0.951 nan 8.270 nan 0.000 0.448 196 T N -2.768 111.769 114.554 -0.028 0.000 2.778 196 T HA 0.088 4.438 4.350 -0.000 0.000 0.293 196 T C 0.827 175.465 174.700 -0.103 0.000 1.144 196 T CA -0.851 61.214 62.100 -0.059 0.000 1.010 196 T CB 1.082 69.925 68.868 -0.042 0.000 1.325 196 T HN 0.200 nan 8.240 nan 0.000 0.515 197 V N 0.229 120.026 119.914 -0.196 0.000 2.546 197 V HA -0.044 4.076 4.120 -0.000 0.000 0.254 197 V C 1.995 177.934 176.094 -0.260 0.000 1.076 197 V CA 1.897 64.053 62.300 -0.240 0.000 1.087 197 V CB -1.328 30.327 31.823 -0.279 0.000 0.674 197 V HN 0.779 nan 8.190 nan 0.000 0.470 198 F N 1.082 120.955 119.950 -0.127 0.000 2.216 198 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 198 F C 2.051 177.741 175.800 -0.183 0.000 1.085 198 F CA 1.970 59.876 58.000 -0.156 0.000 1.326 198 F CB -1.015 37.875 39.000 -0.183 0.000 1.027 198 F HN 0.323 nan 8.300 nan 0.000 0.497 199 N N 0.132 118.835 118.700 0.005 0.000 2.289 199 N HA -0.118 4.621 4.740 -0.000 0.000 0.184 199 N C 1.670 177.088 175.510 -0.154 0.000 1.016 199 N CA 0.847 53.849 53.050 -0.079 0.000 0.872 199 N CB -0.311 38.163 38.487 -0.022 0.000 0.973 199 N HN 0.248 nan 8.380 nan 0.000 0.433 200 L N -0.180 120.968 121.223 -0.124 0.000 2.341 200 L HA 0.064 4.404 4.340 -0.000 0.000 0.214 200 L C 1.683 178.455 176.870 -0.164 0.000 1.115 200 L CA 0.434 55.196 54.840 -0.129 0.000 0.820 200 L CB -0.166 41.837 42.059 -0.094 0.000 0.944 200 L HN 0.199 nan 8.230 nan 0.000 0.452 201 L N -0.448 120.681 121.223 -0.158 0.000 2.156 201 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 201 L C 2.645 179.409 176.870 -0.175 0.000 1.095 201 L CA 0.892 55.660 54.840 -0.120 0.000 0.770 201 L CB -0.976 41.064 42.059 -0.030 0.000 0.914 201 L HN 0.290 nan 8.230 nan 0.000 0.439 202 G N 1.483 110.031 108.800 -0.420 0.000 2.586 202 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.218 202 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.218 202 G C -0.763 174.017 174.900 -0.200 0.000 1.216 202 G CA 0.886 45.604 45.100 -0.636 0.000 0.786 202 G HN 0.302 nan 8.290 nan 0.000 0.583 203 P HA 0.006 nan 4.420 nan 0.000 0.223 203 P C 1.636 178.974 177.300 0.064 0.000 1.144 203 P CA 0.720 63.861 63.100 0.067 0.000 0.783 203 P CB -0.085 31.609 31.700 -0.009 0.000 0.771 204 L N -1.571 119.649 121.223 -0.005 0.000 2.558 204 L HA 0.066 4.406 4.340 -0.000 0.000 0.225 204 L C 1.136 178.002 176.870 -0.007 0.000 1.128 204 L CA 0.366 55.202 54.840 -0.007 0.000 0.868 204 L CB -0.113 41.927 42.059 -0.031 0.000 1.006 204 L HN -0.091 nan 8.230 nan 0.000 0.454 205 V N -3.764 116.159 119.914 0.014 0.000 2.804 205 V HA 0.294 4.414 4.120 -0.000 0.000 0.360 205 V C 0.304 176.306 176.094 -0.153 0.000 1.282 205 V CA -0.743 61.543 62.300 -0.024 0.000 1.274 205 V CB -0.184 31.630 31.823 -0.014 0.000 1.415 205 V HN 0.204 nan 8.190 nan 0.000 0.610 206 N N 3.909 122.468 118.700 -0.236 0.000 2.427 206 N HA 0.201 4.941 4.740 -0.000 0.000 0.269 206 N C -1.060 174.320 175.510 -0.216 0.000 1.235 206 N CA -1.357 51.434 53.050 -0.433 0.000 0.934 206 N CB 1.802 40.165 38.487 -0.208 0.000 1.121 206 N HN 0.305 nan 8.380 nan 0.000 0.480 207 P HA -0.068 nan 4.420 nan 0.000 0.226 207 P C 1.095 178.370 177.300 -0.043 0.000 1.153 207 P CA 0.808 63.876 63.100 -0.052 0.000 0.777 207 P CB 0.434 32.134 31.700 -0.001 0.000 0.794 208 L N -1.074 120.111 121.223 -0.063 0.000 2.592 208 L HA 0.200 4.540 4.340 -0.000 0.000 0.227 208 L C 0.438 177.283 176.870 -0.043 0.000 1.127 208 L CA -0.024 54.788 54.840 -0.046 0.000 0.884 208 L CB -0.502 41.526 42.059 -0.052 0.000 1.065 208 L HN -0.059 nan 8.230 nan 0.000 0.457 209 R N -0.515 119.956 120.500 -0.048 0.000 3.201 209 R HA -0.109 4.231 4.340 -0.000 0.000 0.254 209 R C -2.281 174.002 176.300 -0.029 0.000 0.978 209 R CA -0.248 55.832 56.100 -0.033 0.000 0.661 209 R CB -1.791 28.496 30.300 -0.021 0.000 1.170 209 R HN 0.251 nan 8.270 nan 0.000 0.430 210 P HA -0.028 nan 4.420 nan 0.000 0.269 210 P C 0.874 178.165 177.300 -0.014 0.000 1.215 210 P CA 0.311 63.395 63.100 -0.026 0.000 0.780 210 P CB 0.866 32.548 31.700 -0.030 0.000 0.898 211 T N -1.674 112.876 114.554 -0.007 0.000 3.044 211 T HA 0.269 4.619 4.350 -0.000 0.000 0.250 211 T C 0.919 175.620 174.700 0.002 0.000 1.081 211 T CA 0.103 62.203 62.100 -0.000 0.000 1.040 211 T CB -0.254 68.617 68.868 0.005 0.000 0.962 211 T HN 0.538 nan 8.240 nan 0.000 0.506 212 G N 0.418 109.218 108.800 0.001 0.000 2.513 212 G HA2 0.652 4.612 3.960 -0.000 0.000 0.317 212 G HA3 0.652 4.612 3.960 -0.000 0.000 0.317 212 G C -1.517 173.379 174.900 -0.005 0.000 1.277 212 G CA -0.738 44.362 45.100 0.000 0.000 0.955 212 G HN 0.333 nan 8.290 nan 0.000 0.484 213 Q N 0.248 120.046 119.800 -0.003 0.000 2.345 213 Q HA 0.499 4.839 4.340 -0.000 0.000 0.275 213 Q C -1.280 174.720 176.000 0.001 0.000 1.063 213 Q CA -0.879 54.924 55.803 0.000 0.000 0.819 213 Q CB 3.402 32.145 28.738 0.009 0.000 1.356 213 Q HN 0.390 nan 8.270 nan 0.000 0.418 214 V N 1.966 121.880 119.914 0.001 0.000 2.398 214 V HA 0.492 4.612 4.120 -0.000 0.000 0.286 214 V C -0.524 175.576 176.094 0.011 0.000 1.026 214 V CA -0.634 61.666 62.300 -0.000 0.000 0.868 214 V CB 1.685 33.502 31.823 -0.010 0.000 0.982 214 V HN 0.509 nan 8.190 nan 0.000 0.443 215 V N 3.712 123.629 119.914 0.005 0.000 2.482 215 V HA 0.622 4.742 4.120 -0.000 0.000 0.295 215 V C 0.609 176.694 176.094 -0.014 0.000 1.026 215 V CA -0.463 61.843 62.300 0.011 0.000 0.856 215 V CB 1.841 33.669 31.823 0.010 0.000 1.001 215 V HN 0.964 nan 8.190 nan 0.000 0.424 216 G N 5.260 114.042 108.800 -0.029 0.000 2.370 216 G HA2 0.623 4.583 3.960 -0.000 0.000 0.272 216 G HA3 0.623 4.583 3.960 -0.000 0.000 0.272 216 G C -0.684 174.151 174.900 -0.109 0.000 1.208 216 G CA -0.283 44.765 45.100 -0.087 0.000 0.856 216 G HN 0.557 nan 8.290 nan 0.000 0.500 217 L N 1.148 122.313 121.223 -0.097 0.000 2.322 217 L HA 0.448 4.788 4.340 -0.000 0.000 0.269 217 L C 0.147 176.962 176.870 -0.092 0.000 1.012 217 L CA -0.886 53.911 54.840 -0.072 0.000 0.815 217 L CB 2.059 44.101 42.059 -0.027 0.000 1.295 217 L HN 0.512 nan 8.230 nan 0.000 0.438 218 F N -0.604 119.393 119.950 0.078 0.000 2.732 218 F HA 0.107 4.635 4.527 0.002 0.000 0.303 218 F C 0.558 176.228 175.800 -0.217 0.000 1.110 218 F CA 0.010 58.063 58.000 0.088 0.000 1.355 218 F CB 0.343 39.381 39.000 0.064 0.000 1.081 218 F HN 0.323 nan 8.300 nan 0.000 0.565 219 T N 0.967 115.395 114.554 -0.210 0.000 2.841 219 T HA 0.210 4.559 4.350 -0.000 0.000 0.285 219 T C -1.850 172.592 174.700 -0.430 0.000 0.991 219 T CA -1.502 60.392 62.100 -0.344 0.000 0.966 219 T CB 2.160 70.941 68.868 -0.145 0.000 0.962 219 T HN -0.214 nan 8.240 nan 0.000 0.438 220 P HA 0.011 nan 4.420 nan 0.000 0.226 220 P C 1.001 178.239 177.300 -0.102 0.000 1.153 220 P CA 0.612 63.593 63.100 -0.198 0.000 0.777 220 P CB 0.349 31.995 31.700 -0.091 0.000 0.794 221 K N -0.286 120.048 120.400 -0.109 0.000 2.283 221 K HA 0.018 4.338 4.320 -0.000 0.000 0.202 221 K C 1.558 178.127 176.600 -0.053 0.000 1.048 221 K CA 0.841 57.088 56.287 -0.067 0.000 0.948 221 K CB -0.181 32.279 32.500 -0.067 0.000 0.742 221 K HN 0.263 nan 8.250 nan 0.000 0.458 222 L N 0.711 121.898 121.223 -0.060 0.000 2.857 222 L HA 0.136 4.476 4.340 -0.000 0.000 0.249 222 L C 1.407 178.256 176.870 -0.035 0.000 1.172 222 L CA -0.193 54.621 54.840 -0.045 0.000 0.980 222 L CB 0.168 42.198 42.059 -0.049 0.000 1.299 222 L HN 0.061 nan 8.230 nan 0.000 0.535 223 L N -0.477 120.727 121.223 -0.031 0.000 2.012 223 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 223 L C 2.458 179.320 176.870 -0.014 0.000 1.073 223 L CA 1.633 56.463 54.840 -0.017 0.000 0.748 223 L CB -0.755 41.300 42.059 -0.006 0.000 0.891 223 L HN 0.251 nan 8.230 nan 0.000 0.431 224 T N -1.197 113.349 114.554 -0.013 0.000 2.821 224 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 224 T C 1.904 176.596 174.700 -0.012 0.000 1.046 224 T CA 1.811 63.905 62.100 -0.010 0.000 1.139 224 T CB -0.144 68.719 68.868 -0.009 0.000 0.871 224 T HN 0.355 nan 8.240 nan 0.000 0.454 225 T N 1.590 116.134 114.554 -0.017 0.000 2.746 225 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 225 T C 2.116 176.804 174.700 -0.020 0.000 1.039 225 T CA 0.922 63.011 62.100 -0.019 0.000 1.142 225 T CB -0.433 68.421 68.868 -0.023 0.000 0.866 225 T HN 0.145 nan 8.240 nan 0.000 0.444 226 V N 1.529 121.430 119.914 -0.022 0.000 2.427 226 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 226 V C 2.841 178.926 176.094 -0.016 0.000 1.051 226 V CA 1.522 63.809 62.300 -0.023 0.000 1.048 226 V CB -1.094 30.713 31.823 -0.026 0.000 0.666 226 V HN 0.511 nan 8.190 nan 0.000 0.456 227 A N -0.412 122.400 122.820 -0.012 0.000 1.933 227 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 227 A C 2.165 179.744 177.584 -0.008 0.000 1.175 227 A CA 2.149 54.181 52.037 -0.008 0.000 0.628 227 A CB -0.491 18.506 19.000 -0.005 0.000 0.814 227 A HN 0.530 nan 8.150 nan 0.000 0.444 228 Q N -0.164 119.630 119.800 -0.010 0.000 2.119 228 Q HA 0.053 4.393 4.340 -0.000 0.000 0.201 228 Q C 1.998 177.991 176.000 -0.010 0.000 0.972 228 Q CA 1.907 57.704 55.803 -0.009 0.000 0.847 228 Q CB -0.603 28.130 28.738 -0.009 0.000 0.903 228 Q HN 0.538 nan 8.270 nan 0.000 0.433 229 A N 0.170 122.982 122.820 -0.013 0.000 1.902 229 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 229 A C 2.091 179.667 177.584 -0.013 0.000 1.181 229 A CA 1.375 53.403 52.037 -0.015 0.000 0.623 229 A CB -0.774 18.214 19.000 -0.020 0.000 0.818 229 A HN 0.450 nan 8.150 nan 0.000 0.443 230 L N -0.573 120.643 121.223 -0.011 0.000 2.083 230 L HA -0.216 4.123 4.340 -0.000 0.000 0.209 230 L C 2.409 179.275 176.870 -0.007 0.000 1.083 230 L CA 1.690 56.525 54.840 -0.009 0.000 0.752 230 L CB -0.587 41.468 42.059 -0.006 0.000 0.899 230 L HN 0.431 nan 8.230 nan 0.000 0.433 231 D N 0.247 120.643 120.400 -0.006 0.000 2.092 231 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 231 D C 1.886 178.183 176.300 -0.005 0.000 0.994 231 D CA 1.403 55.400 54.000 -0.005 0.000 0.828 231 D CB -0.024 40.773 40.800 -0.004 0.000 0.963 231 D HN 0.154 nan 8.370 nan 0.000 0.450 232 N N -0.111 118.585 118.700 -0.007 0.000 2.137 232 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 232 N C 1.660 177.166 175.510 -0.007 0.000 1.017 232 N CA 0.623 53.669 53.050 -0.007 0.000 0.859 232 N CB -0.346 38.136 38.487 -0.008 0.000 1.002 232 N HN 0.350 nan 8.380 nan 0.000 0.428 233 L N -0.756 120.462 121.223 -0.008 0.000 2.599 233 L HA 0.171 4.511 4.340 -0.000 0.000 0.230 233 L C 1.122 177.988 176.870 -0.007 0.000 1.141 233 L CA 0.285 55.120 54.840 -0.008 0.000 0.877 233 L CB -0.229 41.824 42.059 -0.010 0.000 1.009 233 L HN 0.264 nan 8.230 nan 0.000 0.447 234 G N -0.360 108.437 108.800 -0.005 0.000 2.141 234 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.231 234 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.231 234 G C 0.044 174.942 174.900 -0.003 0.000 0.984 234 G CA -0.383 44.714 45.100 -0.004 0.000 0.660 234 G HN 0.166 nan 8.290 nan 0.000 0.525 235 K N 0.505 120.902 120.400 -0.004 0.000 2.295 235 K HA 0.578 4.898 4.320 -0.000 0.000 0.270 235 K C 1.397 177.997 176.600 0.000 0.000 1.011 235 K CA 0.052 56.337 56.287 -0.002 0.000 0.953 235 K CB 0.965 33.464 32.500 -0.002 0.000 0.956 235 K HN 0.132 nan 8.250 nan 0.000 0.477 236 Q N 1.423 121.225 119.800 0.003 0.000 2.165 236 Q HA 0.102 4.442 4.340 -0.000 0.000 0.197 236 Q C -0.141 175.862 176.000 0.005 0.000 0.952 236 Q CA 1.211 57.017 55.803 0.005 0.000 0.848 236 Q CB 0.149 28.893 28.738 0.009 0.000 0.931 236 Q HN 0.467 nan 8.270 nan 0.000 0.470 237 K N -0.967 119.436 120.400 0.005 0.000 2.422 237 K HA 0.789 5.109 4.320 -0.000 0.000 0.251 237 K C -1.300 175.302 176.600 0.003 0.000 0.933 237 K CA -0.366 55.924 56.287 0.004 0.000 0.798 237 K CB 2.455 34.958 32.500 0.006 0.000 1.238 237 K HN 0.226 nan 8.250 nan 0.000 0.428 238 A N 2.643 125.464 122.820 0.003 0.000 2.549 238 A HA 0.708 5.028 4.320 -0.000 0.000 0.297 238 A C -1.363 176.224 177.584 0.006 0.000 1.061 238 A CA -0.724 51.314 52.037 0.003 0.000 0.690 238 A CB 0.966 19.967 19.000 0.001 0.000 1.287 238 A HN 0.676 nan 8.150 nan 0.000 0.402 239 I N 1.953 122.527 120.570 0.006 0.000 2.410 239 I HA 0.421 4.590 4.170 -0.000 0.000 0.286 239 I C -0.906 175.211 176.117 0.000 0.000 1.009 239 I CA -0.795 60.510 61.300 0.009 0.000 1.111 239 I CB 1.951 39.961 38.000 0.016 0.000 1.262 239 I HN 0.333 nan 8.210 nan 0.000 0.443 240 V N 7.203 127.117 119.914 -0.000 0.000 2.417 240 V HA 0.535 4.655 4.120 -0.000 0.000 0.291 240 V C -0.270 175.821 176.094 -0.004 0.000 1.024 240 V CA -0.624 61.673 62.300 -0.005 0.000 0.861 240 V CB 1.523 33.343 31.823 -0.006 0.000 0.985 240 V HN 0.534 nan 8.190 nan 0.000 0.436 241 L N 2.287 123.504 121.223 -0.011 0.000 2.350 241 L HA 0.883 5.223 4.340 -0.000 0.000 0.260 241 L C -0.909 175.975 176.870 0.022 0.000 1.015 241 L CA -0.774 54.060 54.840 -0.010 0.000 0.821 241 L CB 2.005 44.038 42.059 -0.045 0.000 1.370 241 L HN 0.653 nan 8.230 nan 0.000 0.416 242 H N 0.100 119.118 119.070 -0.086 0.000 2.934 242 H HA 0.698 5.253 4.556 -0.002 0.000 0.340 242 H C -0.350 174.929 175.328 -0.082 0.000 1.008 242 H CA -0.119 55.869 56.048 -0.101 0.000 1.317 242 H CB 1.825 31.545 29.762 -0.069 0.000 1.670 242 H HN 1.133 nan 8.280 nan 0.000 0.516 243 G N 3.624 112.106 108.800 -0.530 0.000 2.361 243 G HA2 0.108 4.068 3.960 -0.000 0.000 0.260 243 G HA3 0.108 4.068 3.960 -0.000 0.000 0.260 243 G C 0.420 174.994 174.900 -0.543 0.000 1.261 243 G CA -0.650 44.197 45.100 -0.423 0.000 0.897 243 G HN 0.836 nan 8.290 nan 0.000 0.499 244 R N 1.219 121.572 120.500 -0.245 0.000 2.237 244 R HA -0.047 4.293 4.340 -0.000 0.000 0.219 244 R C 1.569 177.823 176.300 -0.076 0.000 1.080 244 R CA 0.826 56.859 56.100 -0.111 0.000 0.995 244 R CB 0.214 30.495 30.300 -0.033 0.000 0.875 244 R HN 0.685 nan 8.270 nan 0.000 0.462 245 E N 0.958 121.097 120.200 -0.103 0.000 2.533 245 E HA -0.045 4.305 4.350 -0.000 0.000 0.201 245 E C -0.491 176.087 176.600 -0.036 0.000 1.097 245 E CA 0.043 56.411 56.400 -0.054 0.000 0.887 245 E CB -0.034 29.636 29.700 -0.051 0.000 0.855 245 E HN 0.147 nan 8.360 nan 0.000 0.540 246 R N -0.138 120.307 120.500 -0.090 0.000 3.022 246 R HA -0.156 4.183 4.340 -0.000 0.000 0.268 246 R C -1.066 175.278 176.300 0.073 0.000 0.964 246 R CA 0.262 56.395 56.100 0.056 0.000 0.653 246 R CB -2.243 28.165 30.300 0.180 0.000 1.382 246 R HN 0.139 nan 8.270 nan 0.000 0.428 247 L N 0.605 121.685 121.223 -0.238 0.000 2.434 247 L HA 0.332 4.672 4.340 -0.000 0.000 0.260 247 L C 0.636 177.200 176.870 -0.511 0.000 0.983 247 L CA -0.928 53.767 54.840 -0.241 0.000 0.820 247 L CB 1.846 43.796 42.059 -0.182 0.000 1.361 247 L HN 0.179 nan 8.230 nan 0.000 0.410 248 D N -0.198 119.771 120.400 -0.719 0.000 2.538 248 D HA 0.153 4.793 4.640 -0.000 0.000 0.234 248 D C -0.252 175.883 176.300 -0.277 0.000 1.191 248 D CA -0.021 53.618 54.000 -0.600 0.000 0.828 248 D CB 0.208 40.545 40.800 -0.772 0.000 0.981 248 D HN 0.580 nan 8.370 nan 0.000 0.490 249 E N -0.891 119.172 120.200 -0.229 0.000 2.430 249 E HA 0.617 4.967 4.350 -0.000 0.000 0.279 249 E C -1.305 175.201 176.600 -0.156 0.000 1.003 249 E CA -1.268 55.038 56.400 -0.156 0.000 0.801 249 E CB 1.492 31.109 29.700 -0.138 0.000 1.313 249 E HN 0.085 nan 8.360 nan 0.000 0.459 250 A N 0.982 123.726 122.820 -0.127 0.000 2.409 250 A HA 0.626 4.946 4.320 -0.000 0.000 0.267 250 A C 0.340 177.860 177.584 -0.106 0.000 1.127 250 A CA 0.406 52.369 52.037 -0.122 0.000 0.795 250 A CB 0.188 19.119 19.000 -0.115 0.000 1.061 250 A HN 0.546 nan 8.150 nan 0.000 0.502 251 G N 0.247 108.985 108.800 -0.102 0.000 2.531 251 G HA2 0.494 4.454 3.960 -0.000 0.000 0.313 251 G HA3 0.494 4.454 3.960 -0.000 0.000 0.313 251 G C 0.379 175.248 174.900 -0.053 0.000 1.238 251 G CA -0.700 44.356 45.100 -0.073 0.000 0.994 251 G HN 0.645 nan 8.290 nan 0.000 0.493 252 L N 0.129 121.335 121.223 -0.028 0.000 2.616 252 L HA 0.238 4.578 4.340 -0.000 0.000 0.229 252 L C 2.310 179.170 176.870 -0.016 0.000 1.110 252 L CA 0.545 55.375 54.840 -0.017 0.000 0.884 252 L CB 0.576 42.638 42.059 0.004 0.000 1.115 252 L HN 0.666 nan 8.230 nan 0.000 0.481 253 G N -1.320 107.468 108.800 -0.020 0.000 3.020 253 G HA2 0.054 4.014 3.960 -0.000 0.000 0.217 253 G HA3 0.054 4.014 3.960 -0.000 0.000 0.217 253 G C -0.147 174.742 174.900 -0.019 0.000 1.144 253 G CA 0.145 45.236 45.100 -0.014 0.000 0.760 253 G HN 0.215 nan 8.290 nan 0.000 0.548 254 D N -1.620 118.762 120.400 -0.030 0.000 2.769 254 D HA 0.232 4.872 4.640 -0.000 0.000 0.309 254 D C -0.896 175.377 176.300 -0.045 0.000 1.315 254 D CA -0.701 53.280 54.000 -0.032 0.000 0.780 254 D CB 0.650 41.431 40.800 -0.031 0.000 1.312 254 D HN -0.188 nan 8.370 nan 0.000 0.437 255 L N 0.362 121.561 121.223 -0.041 0.000 2.476 255 L HA 0.389 4.729 4.340 -0.000 0.000 0.264 255 L C 0.779 177.608 176.870 -0.068 0.000 1.224 255 L CA 0.671 55.482 54.840 -0.049 0.000 0.821 255 L CB 0.516 42.557 42.059 -0.031 0.000 1.101 255 L HN 0.328 nan 8.230 nan 0.000 0.488 256 T N 0.994 115.503 114.554 -0.077 0.000 2.841 256 T HA 0.300 4.650 4.350 -0.000 0.000 0.285 256 T C -0.954 173.714 174.700 -0.054 0.000 0.991 256 T CA -0.675 61.372 62.100 -0.089 0.000 0.966 256 T CB 0.920 69.718 68.868 -0.117 0.000 0.962 256 T HN 0.378 nan 8.240 nan 0.000 0.438 257 D N 3.027 123.415 120.400 -0.019 0.000 2.304 257 D HA 0.387 5.027 4.640 -0.000 0.000 0.250 257 D C -0.324 175.978 176.300 0.004 0.000 1.107 257 D CA -0.072 53.932 54.000 0.008 0.000 0.885 257 D CB 1.382 42.208 40.800 0.044 0.000 1.192 257 D HN 0.339 nan 8.370 nan 0.000 0.436 258 L N 1.163 122.388 121.223 0.005 0.000 2.409 258 L HA 0.552 4.892 4.340 -0.000 0.000 0.272 258 L C -0.192 176.687 176.870 0.015 0.000 0.980 258 L CA -1.059 53.786 54.840 0.008 0.000 0.826 258 L CB 1.968 44.036 42.059 0.015 0.000 1.268 258 L HN 0.287 nan 8.230 nan 0.000 0.407 259 A N 3.445 126.272 122.820 0.011 0.000 2.274 259 A HA 0.766 5.086 4.320 -0.000 0.000 0.309 259 A C -0.533 177.058 177.584 0.012 0.000 1.226 259 A CA -0.449 51.594 52.037 0.010 0.000 0.853 259 A CB 1.095 20.097 19.000 0.003 0.000 1.146 259 A HN 0.420 nan 8.150 nan 0.000 0.518 260 V N 3.794 123.716 119.914 0.014 0.000 2.444 260 V HA 0.426 4.546 4.120 -0.000 0.000 0.294 260 V C -0.672 175.427 176.094 0.008 0.000 1.022 260 V CA -0.500 61.809 62.300 0.015 0.000 0.850 260 V CB 1.272 33.109 31.823 0.023 0.000 0.992 260 V HN 0.824 nan 8.190 nan 0.000 0.426 261 L N 4.433 125.659 121.223 0.005 0.000 2.313 261 L HA 0.855 5.195 4.340 -0.000 0.000 0.283 261 L C -0.183 176.689 176.870 0.002 0.000 1.013 261 L CA 0.482 55.323 54.840 0.002 0.000 0.816 261 L CB 1.798 43.857 42.059 0.001 0.000 1.236 261 L HN 0.663 nan 8.230 nan 0.000 0.419 262 S N 3.494 119.194 115.700 0.001 0.000 2.668 262 S HA 0.457 4.927 4.470 -0.000 0.000 0.277 262 S C -1.238 173.363 174.600 0.001 0.000 1.170 262 S CA -0.563 57.638 58.200 0.001 0.000 0.994 262 S CB 0.436 63.635 63.200 -0.001 0.000 1.051 262 S HN 0.774 nan 8.310 nan 0.000 0.484 263 D N 3.478 123.879 120.400 0.002 0.000 2.735 263 D HA -0.167 4.473 4.640 -0.000 0.000 0.235 263 D C 1.086 177.386 176.300 0.000 0.000 1.175 263 D CA 1.992 55.993 54.000 0.001 0.000 0.683 263 D CB -1.421 39.380 40.800 0.002 0.000 1.008 263 D HN 1.430 nan 8.370 nan 0.000 0.416 264 G N -0.763 108.037 108.800 -0.000 0.000 2.189 264 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.267 264 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.267 264 G C 0.126 175.026 174.900 -0.001 0.000 0.975 264 G CA 0.721 45.820 45.100 -0.001 0.000 0.644 264 G HN 0.455 nan 8.290 nan 0.000 0.537 265 E N -0.706 119.494 120.200 -0.001 0.000 2.202 265 E HA 0.725 5.075 4.350 -0.000 0.000 0.272 265 E C -0.512 176.088 176.600 -0.000 0.000 0.951 265 E CA -0.840 55.559 56.400 -0.001 0.000 0.813 265 E CB 2.099 31.799 29.700 -0.001 0.000 1.151 265 E HN 0.149 nan 8.360 nan 0.000 0.398 266 L N 1.801 123.024 121.223 -0.000 0.000 2.365 266 L HA 0.344 4.684 4.340 -0.000 0.000 0.273 266 L C -0.627 176.245 176.870 0.002 0.000 1.000 266 L CA -0.289 54.552 54.840 0.001 0.000 0.819 266 L CB 1.774 43.833 42.059 -0.000 0.000 1.284 266 L HN 0.483 nan 8.230 nan 0.000 0.418 267 Q N 3.130 122.933 119.800 0.005 0.000 2.331 267 Q HA 0.603 4.943 4.340 -0.000 0.000 0.272 267 Q C -2.068 173.938 176.000 0.011 0.000 1.062 267 Q CA -0.789 55.019 55.803 0.007 0.000 0.806 267 Q CB 2.238 30.981 28.738 0.007 0.000 1.312 267 Q HN 0.555 nan 8.270 nan 0.000 0.431 268 L N 2.844 124.073 121.223 0.011 0.000 2.296 268 L HA 0.734 5.074 4.340 -0.000 0.000 0.286 268 L C -0.820 176.060 176.870 0.017 0.000 1.023 268 L CA 0.378 55.225 54.840 0.012 0.000 0.812 268 L CB 1.824 43.889 42.059 0.008 0.000 1.223 268 L HN 0.868 nan 8.230 nan 0.000 0.421 269 T N 1.851 116.419 114.554 0.023 0.000 2.671 269 T HA 0.779 5.129 4.350 -0.000 0.000 0.300 269 T C -1.021 173.694 174.700 0.025 0.000 1.238 269 T CA 0.225 62.343 62.100 0.030 0.000 1.020 269 T CB 1.426 70.323 68.868 0.049 0.000 1.503 269 T HN 0.781 nan 8.240 nan 0.000 0.497 270 T N -0.189 114.381 114.554 0.026 0.000 2.906 270 T HA 0.767 5.116 4.350 -0.000 0.000 0.295 270 T C -1.048 173.640 174.700 -0.019 0.000 1.075 270 T CA -0.762 61.337 62.100 -0.001 0.000 1.005 270 T CB 1.381 70.247 68.868 -0.004 0.000 1.136 270 T HN 0.713 nan 8.240 nan 0.000 0.498 271 I N 1.819 122.336 120.570 -0.089 0.000 2.465 271 I HA 0.564 4.734 4.170 -0.000 0.000 0.291 271 I C -1.301 174.753 176.117 -0.105 0.000 1.014 271 I CA -0.834 60.366 61.300 -0.167 0.000 1.093 271 I CB 1.663 39.416 38.000 -0.411 0.000 1.267 271 I HN 0.751 nan 8.210 nan 0.000 0.431 272 N N 8.719 127.376 118.700 -0.071 0.000 2.518 272 N HA 0.447 5.187 4.740 -0.000 0.000 0.254 272 N C -2.271 173.213 175.510 -0.042 0.000 0.979 272 N CA -2.408 50.616 53.050 -0.043 0.000 0.930 272 N CB 1.907 40.383 38.487 -0.018 0.000 1.152 272 N HN 0.269 nan 8.380 nan 0.000 0.505 273 P HA -0.259 nan 4.420 nan 0.000 0.216 273 P C 1.113 178.401 177.300 -0.020 0.000 1.167 273 P CA 1.945 65.022 63.100 -0.038 0.000 0.914 273 P CB 0.191 31.872 31.700 -0.033 0.000 0.793 274 Q N -0.274 119.518 119.800 -0.013 0.000 2.291 274 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 274 Q C 1.682 177.682 176.000 -0.001 0.000 0.976 274 Q CA 1.413 57.213 55.803 -0.005 0.000 0.875 274 Q CB -0.814 27.922 28.738 -0.004 0.000 0.927 274 Q HN 0.342 nan 8.270 nan 0.000 0.450 275 E N 0.765 120.965 120.200 0.000 0.000 2.347 275 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 275 E C 1.302 177.912 176.600 0.017 0.000 1.008 275 E CA 1.094 57.500 56.400 0.010 0.000 0.852 275 E CB 0.502 30.211 29.700 0.015 0.000 0.783 275 E HN 0.468 nan 8.360 nan 0.000 0.505 276 V N -4.313 115.609 119.914 0.013 0.000 3.176 276 V HA 0.528 4.648 4.120 -0.000 0.000 0.332 276 V C 0.788 176.891 176.094 0.016 0.000 1.414 276 V CA 0.131 62.446 62.300 0.026 0.000 1.133 276 V CB 0.263 32.109 31.823 0.038 0.000 1.088 276 V HN 0.152 nan 8.190 nan 0.000 0.473 277 G N 0.492 109.298 108.800 0.009 0.000 2.131 277 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.223 277 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.223 277 G C -0.012 174.892 174.900 0.005 0.000 0.990 277 G CA 0.314 45.419 45.100 0.007 0.000 0.671 277 G HN 1.817 nan 8.290 nan 0.000 0.521 278 V N -3.053 116.862 119.914 0.002 0.000 2.960 278 V HA 0.939 5.058 4.120 -0.000 0.000 0.315 278 V C 0.215 176.310 176.094 0.002 0.000 1.087 278 V CA -0.511 61.791 62.300 0.003 0.000 0.982 278 V CB 1.943 33.766 31.823 0.000 0.000 1.039 278 V HN 0.324 nan 8.190 nan 0.000 0.437 279 T N 4.282 118.839 114.554 0.005 0.000 2.767 279 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 279 T C -2.533 172.169 174.700 0.004 0.000 0.963 279 T CA -0.700 61.403 62.100 0.004 0.000 1.019 279 T CB 1.113 69.984 68.868 0.005 0.000 0.923 279 T HN 0.739 nan 8.240 nan 0.000 0.468 280 P HA 0.425 nan 4.420 nan 0.000 0.266 280 P C -1.150 176.153 177.300 0.004 0.000 1.195 280 P CA -0.182 62.918 63.100 -0.000 0.000 0.768 280 P CB 0.496 32.194 31.700 -0.003 0.000 0.838 281 A N 3.610 126.434 122.820 0.007 0.000 2.606 281 A HA 0.733 5.053 4.320 -0.000 0.000 0.293 281 A C -2.881 174.711 177.584 0.012 0.000 1.082 281 A CA -1.480 50.564 52.037 0.012 0.000 0.685 281 A CB 1.144 20.156 19.000 0.021 0.000 1.284 281 A HN 0.332 nan 8.150 nan 0.000 0.408 282 P HA 0.248 nan 4.420 nan 0.000 0.277 282 P C 0.744 178.058 177.300 0.023 0.000 1.240 282 P CA -0.309 62.800 63.100 0.014 0.000 0.798 282 P CB 0.807 32.515 31.700 0.013 0.000 0.979 283 I N 2.339 122.922 120.570 0.021 0.000 2.399 283 I HA -0.166 4.004 4.170 -0.000 0.000 0.254 283 I C 2.229 178.372 176.117 0.044 0.000 1.146 283 I CA 1.889 63.206 61.300 0.029 0.000 1.412 283 I CB -1.276 36.738 38.000 0.023 0.000 1.076 283 I HN 0.562 nan 8.210 nan 0.000 0.432 284 G N -0.062 108.761 108.800 0.037 0.000 2.442 284 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 284 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 284 G C 1.730 176.658 174.900 0.048 0.000 1.141 284 G CA 0.733 45.856 45.100 0.039 0.000 0.763 284 G HN 0.598 nan 8.290 nan 0.000 0.554 285 A N 0.155 123.004 122.820 0.047 0.000 2.070 285 A HA 0.208 4.528 4.320 -0.000 0.000 0.220 285 A C 2.080 179.720 177.584 0.093 0.000 1.159 285 A CA 0.814 52.882 52.037 0.050 0.000 0.656 285 A CB -0.182 18.843 19.000 0.043 0.000 0.800 285 A HN 0.382 nan 8.150 nan 0.000 0.453 286 L N -0.867 120.438 121.223 0.136 0.000 2.700 286 L HA 0.169 4.509 4.340 -0.000 0.000 0.234 286 L C 1.085 178.124 176.870 0.283 0.000 1.156 286 L CA -0.419 54.580 54.840 0.264 0.000 0.946 286 L CB -0.247 41.922 42.059 0.184 0.000 1.216 286 L HN 0.321 nan 8.230 nan 0.000 0.493 287 R N 1.251 121.848 120.500 0.162 0.000 2.585 287 R HA 0.192 4.532 4.340 -0.000 0.000 0.275 287 R C 0.379 176.779 176.300 0.166 0.000 1.018 287 R CA 0.325 56.502 56.100 0.128 0.000 1.072 287 R CB 0.658 31.000 30.300 0.071 0.000 0.953 287 R HN 0.148 nan 8.270 nan 0.000 0.419 288 G N 1.253 110.149 108.800 0.160 0.000 2.511 288 G HA2 0.536 4.496 3.960 -0.000 0.000 0.316 288 G HA3 0.536 4.496 3.960 -0.000 0.000 0.316 288 G C -0.375 174.571 174.900 0.076 0.000 1.210 288 G CA -0.274 44.914 45.100 0.146 0.000 0.969 288 G HN 0.746 nan 8.290 nan 0.000 0.492 289 G N -0.954 107.880 108.800 0.057 0.000 3.234 289 G HA2 0.510 4.470 3.960 -0.000 0.000 0.159 289 G HA3 0.510 4.470 3.960 -0.000 0.000 0.159 289 G C -0.425 174.491 174.900 0.028 0.000 1.175 289 G CA 0.247 45.366 45.100 0.031 0.000 0.900 289 G HN 0.759 nan 8.290 nan 0.000 0.621 290 D N -0.859 119.550 120.400 0.015 0.000 2.380 290 D HA 0.161 4.800 4.640 -0.000 0.000 0.254 290 D C 1.708 178.014 176.300 0.011 0.000 1.288 290 D CA -0.281 53.725 54.000 0.010 0.000 1.008 290 D CB 0.218 41.019 40.800 0.002 0.000 1.099 290 D HN 0.077 nan 8.370 nan 0.000 0.537 291 V N -0.074 119.842 119.914 0.004 0.000 2.343 291 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 291 V C 2.447 178.545 176.094 0.006 0.000 1.051 291 V CA 1.797 64.099 62.300 0.003 0.000 1.036 291 V CB -0.768 31.049 31.823 -0.011 0.000 0.654 291 V HN 0.481 nan 8.190 nan 0.000 0.451 292 Q N -0.270 119.530 119.800 0.000 0.000 2.124 292 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 292 Q C 2.211 178.209 176.000 -0.005 0.000 0.977 292 Q CA 1.748 57.549 55.803 -0.002 0.000 0.850 292 Q CB -0.229 28.505 28.738 -0.007 0.000 0.901 292 Q HN 0.751 nan 8.270 nan 0.000 0.429 293 E N 0.570 120.768 120.200 -0.003 0.000 2.046 293 E HA -0.150 4.199 4.350 -0.000 0.000 0.190 293 E C 1.611 178.207 176.600 -0.007 0.000 0.982 293 E CA 0.688 57.081 56.400 -0.011 0.000 0.800 293 E CB 0.200 29.896 29.700 -0.006 0.000 0.756 293 E HN 0.251 nan 8.360 nan 0.000 0.449 294 N N 0.563 119.277 118.700 0.023 0.000 2.120 294 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 294 N C 1.556 177.100 175.510 0.056 0.000 1.024 294 N CA 1.376 54.463 53.050 0.061 0.000 0.852 294 N CB -0.449 38.093 38.487 0.092 0.000 1.003 294 N HN 0.220 nan 8.380 nan 0.000 0.424 295 A N 1.107 123.951 122.820 0.039 0.000 1.908 295 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 295 A C 2.017 179.608 177.584 0.012 0.000 1.181 295 A CA 1.377 53.440 52.037 0.043 0.000 0.627 295 A CB -0.346 18.675 19.000 0.035 0.000 0.818 295 A HN 0.131 nan 8.150 nan 0.000 0.445 296 E N -0.128 120.057 120.200 -0.024 0.000 2.106 296 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 296 E C 1.937 178.476 176.600 -0.102 0.000 0.984 296 E CA 0.887 57.246 56.400 -0.070 0.000 0.806 296 E CB -0.386 29.273 29.700 -0.067 0.000 0.750 296 E HN 0.746 nan 8.360 nan 0.000 0.458 297 I N 0.532 121.041 120.570 -0.102 0.000 2.252 297 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 297 I C 2.406 178.440 176.117 -0.138 0.000 1.102 297 I CA 0.482 61.669 61.300 -0.189 0.000 1.385 297 I CB -0.196 37.617 38.000 -0.312 0.000 1.064 297 I HN 0.081 nan 8.210 nan 0.000 0.414 298 L N 1.252 122.472 121.223 -0.004 0.000 2.017 298 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 298 L C 2.466 179.375 176.870 0.065 0.000 1.073 298 L CA 1.949 56.855 54.840 0.109 0.000 0.745 298 L CB -0.693 41.483 42.059 0.195 0.000 0.894 298 L HN 0.102 nan 8.230 nan 0.000 0.432 299 K N -0.726 119.659 120.400 -0.025 0.000 2.032 299 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 299 K C 2.007 178.402 176.600 -0.341 0.000 1.048 299 K CA 1.538 57.648 56.287 -0.296 0.000 0.927 299 K CB -0.323 31.881 32.500 -0.494 0.000 0.712 299 K HN 0.469 nan 8.250 nan 0.000 0.441 300 A N 0.513 123.191 122.820 -0.237 0.000 1.883 300 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 300 A C 2.261 179.763 177.584 -0.136 0.000 1.186 300 A CA 1.831 53.746 52.037 -0.204 0.000 0.624 300 A CB -0.696 18.202 19.000 -0.170 0.000 0.822 300 A HN 0.195 nan 8.150 nan 0.000 0.444 301 V N 0.117 119.980 119.914 -0.085 0.000 2.358 301 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 301 V C 2.497 178.614 176.094 0.038 0.000 1.047 301 V CA 1.731 64.020 62.300 -0.019 0.000 1.035 301 V CB -0.675 31.163 31.823 0.025 0.000 0.658 301 V HN 0.557 nan 8.190 nan 0.000 0.452 302 L N -0.452 120.817 121.223 0.078 0.000 2.201 302 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 302 L C 2.268 179.214 176.870 0.127 0.000 1.105 302 L CA 1.301 56.237 54.840 0.161 0.000 0.775 302 L CB -0.483 41.753 42.059 0.294 0.000 0.913 302 L HN 0.411 nan 8.230 nan 0.000 0.440 303 Q N -0.177 119.609 119.800 -0.023 0.000 2.365 303 Q HA 0.089 4.428 4.340 -0.000 0.000 0.203 303 Q C 1.192 177.169 176.000 -0.037 0.000 0.929 303 Q CA 0.489 56.246 55.803 -0.077 0.000 0.948 303 Q CB 0.467 29.027 28.738 -0.296 0.000 1.043 303 Q HN 0.587 nan 8.270 nan 0.000 0.505 304 G N 1.052 109.848 108.800 -0.007 0.000 2.132 304 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.234 304 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.234 304 G C 0.187 175.072 174.900 -0.024 0.000 0.989 304 G CA 0.372 45.471 45.100 -0.000 0.000 0.676 304 G HN 0.246 nan 8.290 nan 0.000 0.522 305 K N -0.478 119.891 120.400 -0.051 0.000 2.066 305 K HA 0.755 5.075 4.320 -0.000 0.000 0.261 305 K C 0.981 177.541 176.600 -0.067 0.000 0.992 305 K CA -0.331 55.918 56.287 -0.065 0.000 1.309 305 K CB 0.475 32.919 32.500 -0.093 0.000 2.459 305 K HN 1.492 nan 8.250 nan 0.000 0.942 306 G N 0.964 109.710 108.800 -0.090 0.000 2.781 306 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.683 306 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.683 306 G C -0.097 174.755 174.900 -0.081 0.000 1.390 306 G CA -0.350 44.685 45.100 -0.108 0.000 0.850 306 G HN 0.685 nan 8.290 nan 0.000 0.557 307 T N -1.507 112.993 114.554 -0.090 0.000 2.766 307 T HA 0.470 4.820 4.350 -0.000 0.000 0.295 307 T C 1.313 175.993 174.700 -0.033 0.000 1.024 307 T CA 0.703 62.769 62.100 -0.057 0.000 1.018 307 T CB 1.396 70.230 68.868 -0.056 0.000 1.002 307 T HN 0.627 nan 8.240 nan 0.000 0.532 308 Q N 0.168 119.958 119.800 -0.016 0.000 2.224 308 Q HA -0.026 4.314 4.340 -0.000 0.000 0.203 308 Q C 2.504 178.513 176.000 0.015 0.000 0.970 308 Q CA 1.637 57.440 55.803 -0.000 0.000 0.865 308 Q CB -0.881 27.858 28.738 0.001 0.000 0.922 308 Q HN 0.908 nan 8.270 nan 0.000 0.445 309 A N 0.460 123.290 122.820 0.017 0.000 1.898 309 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 309 A C 2.053 179.691 177.584 0.089 0.000 1.181 309 A CA 1.311 53.375 52.037 0.044 0.000 0.620 309 A CB -0.385 18.640 19.000 0.042 0.000 0.819 309 A HN 0.372 nan 8.150 nan 0.000 0.442 310 Q N -0.892 118.939 119.800 0.051 0.000 2.050 310 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 310 Q C 2.385 178.477 176.000 0.153 0.000 0.980 310 Q CA 1.685 57.535 55.803 0.078 0.000 0.840 310 Q CB -0.227 28.365 28.738 -0.243 0.000 0.898 310 Q HN 0.816 nan 8.270 nan 0.000 0.424 311 Q N 0.664 120.502 119.800 0.063 0.000 2.077 311 Q HA -0.251 4.089 4.340 -0.000 0.000 0.206 311 Q C 1.192 177.241 176.000 0.082 0.000 0.989 311 Q CA 1.821 57.665 55.803 0.069 0.000 0.853 311 Q CB 0.039 28.796 28.738 0.032 0.000 0.907 311 Q HN 0.350 nan 8.270 nan 0.000 0.418 312 D N -0.101 120.339 120.400 0.067 0.000 2.117 312 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 312 D C 1.701 178.035 176.300 0.057 0.000 0.987 312 D CA 1.390 55.421 54.000 0.050 0.000 0.829 312 D CB -0.299 40.522 40.800 0.035 0.000 0.961 312 D HN 0.408 nan 8.370 nan 0.000 0.460 313 A N 0.471 123.347 122.820 0.094 0.000 1.902 313 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 313 A C 2.520 180.134 177.584 0.050 0.000 1.181 313 A CA 1.223 53.300 52.037 0.067 0.000 0.623 313 A CB -0.727 18.334 19.000 0.101 0.000 0.818 313 A HN 0.149 nan 8.150 nan 0.000 0.443 314 V N -0.195 119.791 119.914 0.120 0.000 2.358 314 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 314 V C 3.048 179.173 176.094 0.052 0.000 1.047 314 V CA 1.847 64.205 62.300 0.097 0.000 1.035 314 V CB -1.169 30.760 31.823 0.177 0.000 0.658 314 V HN 0.615 nan 8.190 nan 0.000 0.452 315 A N -0.170 122.679 122.820 0.048 0.000 1.902 315 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 315 A C 2.167 179.750 177.584 -0.001 0.000 1.181 315 A CA 2.111 54.160 52.037 0.020 0.000 0.623 315 A CB -0.588 18.424 19.000 0.020 0.000 0.818 315 A HN 0.447 nan 8.150 nan 0.000 0.443 316 L N 0.512 121.732 121.223 -0.005 0.000 2.017 316 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 316 L C 1.911 178.756 176.870 -0.042 0.000 1.073 316 L CA 2.232 57.054 54.840 -0.030 0.000 0.745 316 L CB -0.665 41.369 42.059 -0.041 0.000 0.894 316 L HN 0.389 nan 8.230 nan 0.000 0.432 317 N N -0.439 118.239 118.700 -0.037 0.000 2.331 317 N HA -0.060 4.680 4.740 -0.000 0.000 0.180 317 N C 1.729 177.221 175.510 -0.031 0.000 1.019 317 N CA 1.143 54.167 53.050 -0.043 0.000 0.881 317 N CB -0.072 38.384 38.487 -0.051 0.000 0.972 317 N HN 0.502 nan 8.380 nan 0.000 0.435 318 A N 1.280 124.088 122.820 -0.021 0.000 1.969 318 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 318 A C 2.382 179.936 177.584 -0.050 0.000 1.169 318 A CA 1.439 53.459 52.037 -0.029 0.000 0.635 318 A CB -0.465 18.526 19.000 -0.015 0.000 0.810 318 A HN 0.288 nan 8.150 nan 0.000 0.445 319 A N 0.074 122.872 122.820 -0.036 0.000 1.940 319 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 319 A C 2.124 179.708 177.584 -0.001 0.000 1.176 319 A CA 1.584 53.608 52.037 -0.023 0.000 0.631 319 A CB -0.578 18.434 19.000 0.020 0.000 0.814 319 A HN 0.499 nan 8.150 nan 0.000 0.446 320 L N -1.053 120.172 121.223 0.004 0.000 2.072 320 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 320 L C 3.064 179.925 176.870 -0.015 0.000 1.079 320 L CA 0.933 55.783 54.840 0.016 0.000 0.752 320 L CB -0.636 41.422 42.059 -0.001 0.000 0.906 320 L HN 0.406 nan 8.230 nan 0.000 0.436 321 A N 0.391 123.189 122.820 -0.037 0.000 1.902 321 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 321 A C 2.275 179.811 177.584 -0.081 0.000 1.181 321 A CA 1.383 53.389 52.037 -0.052 0.000 0.623 321 A CB -0.693 18.273 19.000 -0.056 0.000 0.818 321 A HN 0.352 nan 8.150 nan 0.000 0.443 322 L N -0.942 120.214 121.223 -0.111 0.000 2.131 322 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 322 L C 2.863 179.649 176.870 -0.139 0.000 1.092 322 L CA 1.435 56.166 54.840 -0.181 0.000 0.759 322 L CB -0.502 41.409 42.059 -0.248 0.000 0.903 322 L HN 0.498 nan 8.230 nan 0.000 0.435 323 Q N -0.490 119.262 119.800 -0.081 0.000 2.046 323 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 323 Q C 2.306 178.286 176.000 -0.033 0.000 0.975 323 Q CA 1.851 57.622 55.803 -0.052 0.000 0.836 323 Q CB -0.200 28.521 28.738 -0.028 0.000 0.896 323 Q HN 0.570 nan 8.270 nan 0.000 0.428 324 V N -2.266 117.632 119.914 -0.027 0.000 2.970 324 V HA 0.029 4.149 4.120 -0.000 0.000 0.260 324 V C 1.915 178.006 176.094 -0.006 0.000 1.100 324 V CA 1.426 63.719 62.300 -0.012 0.000 1.122 324 V CB -0.783 31.035 31.823 -0.009 0.000 0.721 324 V HN 0.249 nan 8.190 nan 0.000 0.483 325 A N 0.437 123.242 122.820 -0.026 0.000 2.119 325 A HA 0.404 4.724 4.320 -0.000 0.000 0.216 325 A C 2.198 179.822 177.584 0.066 0.000 1.152 325 A CA 1.232 53.268 52.037 -0.001 0.000 0.708 325 A CB -0.797 18.152 19.000 -0.086 0.000 0.805 325 A HN 1.749 nan 8.150 nan 0.000 0.460 326 G N -2.374 106.447 108.800 0.034 0.000 2.141 326 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.242 326 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.242 326 G C 0.955 175.932 174.900 0.128 0.000 0.982 326 G CA 0.821 45.985 45.100 0.107 0.000 0.662 326 G HN 1.392 nan 8.290 nan 0.000 0.527 327 A N -1.223 121.532 122.820 -0.108 0.000 2.081 327 A HA 0.690 5.010 4.320 -0.000 0.000 0.214 327 A C 1.005 178.549 177.584 -0.066 0.000 1.158 327 A CA 1.602 53.501 52.037 -0.230 0.000 0.724 327 A CB 0.527 19.109 19.000 -0.697 0.000 0.826 327 A HN 1.129 nan 8.150 nan 0.000 0.463 328 V N 0.284 120.147 119.914 -0.084 0.000 2.925 328 V HA 0.358 4.478 4.120 -0.000 0.000 0.311 328 V C -2.781 173.288 176.094 -0.041 0.000 1.104 328 V CA -2.005 60.256 62.300 -0.066 0.000 0.954 328 V CB 2.077 33.829 31.823 -0.119 0.000 1.022 328 V HN 0.066 nan 8.190 nan 0.000 0.427 329 P HA 0.098 nan 4.420 nan 0.000 0.266 329 P C -0.488 176.768 177.300 -0.072 0.000 1.195 329 P CA -0.254 62.824 63.100 -0.038 0.000 0.768 329 P CB 0.330 32.008 31.700 -0.037 0.000 0.838 330 L N 5.486 126.672 121.223 -0.061 0.000 2.584 330 L HA -0.012 4.328 4.340 -0.000 0.000 0.272 330 L C 0.789 177.572 176.870 -0.145 0.000 1.195 330 L CA 0.735 55.528 54.840 -0.079 0.000 0.920 330 L CB -1.108 40.924 42.059 -0.045 0.000 1.173 330 L HN 0.382 nan 8.230 nan 0.000 0.489 331 L N 2.279 123.351 121.223 -0.253 0.000 4.800 331 L HA -0.212 4.128 4.340 -0.000 0.000 0.412 331 L C 0.005 176.508 176.870 -0.612 0.000 1.063 331 L CA 0.547 55.062 54.840 -0.542 0.000 1.114 331 L CB -1.228 40.665 42.059 -0.278 0.000 2.089 331 L HN 0.712 nan 8.230 nan 0.000 0.686 332 D N 0.060 120.245 120.400 -0.360 0.000 2.631 332 D HA 0.115 4.755 4.640 -0.000 0.000 0.227 332 D C 1.459 177.658 176.300 -0.167 0.000 1.146 332 D CA -0.161 53.706 54.000 -0.223 0.000 1.009 332 D CB 0.320 41.050 40.800 -0.115 0.000 1.057 332 D HN 0.222 nan 8.370 nan 0.000 0.509 333 H N 1.361 120.414 119.070 -0.029 0.000 2.357 333 H HA -0.068 4.486 4.556 -0.003 0.000 0.301 333 H C 1.839 177.146 175.328 -0.035 0.000 1.082 333 H CA 1.361 57.389 56.048 -0.034 0.000 1.342 333 H CB -0.098 29.648 29.762 -0.027 0.000 1.389 333 H HN 0.462 nan 8.280 nan 0.000 0.511 334 A N 0.964 123.834 122.820 0.084 0.000 1.908 334 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 334 A C 2.422 180.010 177.584 0.006 0.000 1.181 334 A CA 1.908 53.966 52.037 0.036 0.000 0.627 334 A CB -0.623 18.392 19.000 0.024 0.000 0.818 334 A HN 0.482 nan 8.150 nan 0.000 0.445 335 Q N -0.732 119.061 119.800 -0.012 0.000 2.119 335 Q HA -0.081 4.259 4.340 -0.000 0.000 0.201 335 Q C 2.034 178.002 176.000 -0.053 0.000 0.972 335 Q CA 1.477 57.261 55.803 -0.031 0.000 0.847 335 Q CB -0.493 28.222 28.738 -0.038 0.000 0.903 335 Q HN 0.575 nan 8.270 nan 0.000 0.433 336 G N 0.040 108.810 108.800 -0.050 0.000 2.422 336 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 336 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 336 G C 1.408 176.269 174.900 -0.064 0.000 1.146 336 G CA 0.916 45.970 45.100 -0.077 0.000 0.769 336 G HN 0.287 nan 8.290 nan 0.000 0.547 337 V N 1.084 120.984 119.914 -0.023 0.000 2.343 337 V HA -0.192 3.927 4.120 -0.000 0.000 0.247 337 V C 3.128 179.208 176.094 -0.023 0.000 1.051 337 V CA 2.240 64.530 62.300 -0.016 0.000 1.036 337 V CB -0.542 31.282 31.823 0.002 0.000 0.654 337 V HN 0.364 nan 8.190 nan 0.000 0.451 338 S N -0.173 115.512 115.700 -0.025 0.000 2.348 338 S HA -0.178 4.292 4.470 -0.000 0.000 0.221 338 S C 2.036 176.616 174.600 -0.033 0.000 1.033 338 S CA 1.593 59.782 58.200 -0.019 0.000 1.010 338 S CB -0.295 62.896 63.200 -0.015 0.000 0.891 338 S HN 0.370 nan 8.310 nan 0.000 0.442 339 V N 2.164 122.033 119.914 -0.075 0.000 2.255 339 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 339 V C 2.675 178.706 176.094 -0.106 0.000 1.051 339 V CA 1.880 64.102 62.300 -0.130 0.000 1.018 339 V CB -1.272 30.369 31.823 -0.304 0.000 0.641 339 V HN 0.557 nan 8.190 nan 0.000 0.445 340 A N -0.560 122.199 122.820 -0.101 0.000 1.933 340 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 340 A C 2.289 179.872 177.584 -0.002 0.000 1.175 340 A CA 2.024 54.031 52.037 -0.049 0.000 0.628 340 A CB -0.455 18.522 19.000 -0.038 0.000 0.814 340 A HN 0.564 nan 8.150 nan 0.000 0.444 341 K N -0.399 120.000 120.400 -0.001 0.000 2.097 341 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 341 K C 1.964 178.580 176.600 0.026 0.000 1.049 341 K CA 1.486 57.782 56.287 0.017 0.000 0.933 341 K CB -0.166 32.342 32.500 0.012 0.000 0.717 341 K HN 0.620 nan 8.250 nan 0.000 0.442 342 E N 0.790 121.004 120.200 0.024 0.000 2.077 342 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 342 E C 2.067 178.704 176.600 0.061 0.000 0.989 342 E CA 1.053 57.478 56.400 0.041 0.000 0.800 342 E CB -0.128 29.601 29.700 0.048 0.000 0.746 342 E HN 0.277 nan 8.360 nan 0.000 0.452 343 I N 1.062 121.673 120.570 0.067 0.000 2.163 343 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 343 I C 2.433 178.604 176.117 0.090 0.000 1.085 343 I CA 1.065 62.423 61.300 0.096 0.000 1.347 343 I CB -0.261 37.801 38.000 0.102 0.000 1.044 343 I HN 0.120 nan 8.210 nan 0.000 0.408 344 L N 0.024 121.291 121.223 0.074 0.000 2.012 344 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 344 L C 2.693 179.600 176.870 0.061 0.000 1.073 344 L CA 1.626 56.511 54.840 0.075 0.000 0.748 344 L CB -0.653 41.445 42.059 0.065 0.000 0.891 344 L HN 0.317 nan 8.230 nan 0.000 0.431 345 Q N -0.708 119.121 119.800 0.048 0.000 2.181 345 Q HA -0.208 4.131 4.340 -0.000 0.000 0.205 345 Q C 2.168 178.194 176.000 0.044 0.000 0.980 345 Q CA 2.098 57.923 55.803 0.037 0.000 0.862 345 Q CB -0.292 28.465 28.738 0.031 0.000 0.905 345 Q HN 0.665 nan 8.270 nan 0.000 0.429 346 T N -3.490 111.099 114.554 0.058 0.000 3.035 346 T HA 0.070 4.420 4.350 -0.000 0.000 0.268 346 T C 1.534 176.278 174.700 0.074 0.000 1.109 346 T CA 0.781 62.918 62.100 0.063 0.000 1.119 346 T CB -0.016 68.895 68.868 0.072 0.000 0.900 346 T HN 0.487 nan 8.240 nan 0.000 0.503 347 G N 1.056 109.909 108.800 0.089 0.000 2.184 347 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.264 347 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.264 347 G C 1.078 176.075 174.900 0.160 0.000 0.975 347 G CA 1.115 46.289 45.100 0.123 0.000 0.642 347 G HN 1.008 nan 8.290 nan 0.000 0.536 348 T N -2.230 112.401 114.554 0.130 0.000 3.035 348 T HA 0.391 4.741 4.350 -0.000 0.000 0.268 348 T C 2.420 177.201 174.700 0.135 0.000 1.109 348 T CA 1.710 63.882 62.100 0.119 0.000 1.119 348 T CB -0.128 68.801 68.868 0.102 0.000 0.900 348 T HN 1.373 nan 8.240 nan 0.000 0.503 349 A N 0.972 123.893 122.820 0.168 0.000 1.929 349 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 349 A C 2.126 179.792 177.584 0.136 0.000 1.176 349 A CA 0.922 53.077 52.037 0.197 0.000 0.628 349 A CB -1.249 17.890 19.000 0.233 0.000 0.816 349 A HN 0.769 nan 8.150 nan 0.000 0.444 350 W N 0.893 122.180 121.300 -0.021 0.000 2.379 350 W HA -0.159 4.500 4.660 -0.001 0.000 0.307 350 W C 2.243 178.718 176.519 -0.073 0.000 1.200 350 W CA 1.729 59.021 57.345 -0.088 0.000 1.297 350 W CB -0.310 29.116 29.460 -0.056 0.000 1.140 350 W HN 0.422 nan 8.180 nan 0.000 0.507 351 A N 1.230 124.033 122.820 -0.030 0.000 1.927 351 A HA -0.338 3.982 4.320 -0.000 0.000 0.220 351 A C 1.842 179.327 177.584 -0.164 0.000 1.185 351 A CA 2.789 54.760 52.037 -0.110 0.000 0.639 351 A CB -0.985 18.029 19.000 0.024 0.000 0.820 351 A HN 0.282 nan 8.150 nan 0.000 0.451 352 K N -0.195 120.161 120.400 -0.075 0.000 2.057 352 K HA -0.004 4.316 4.320 -0.000 0.000 0.206 352 K C 1.843 178.414 176.600 -0.048 0.000 1.050 352 K CA 1.504 57.809 56.287 0.029 0.000 0.935 352 K CB -0.599 32.025 32.500 0.206 0.000 0.715 352 K HN 0.456 nan 8.250 nan 0.000 0.439 353 L N -0.105 120.856 121.223 -0.435 0.000 2.017 353 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 353 L C 2.135 178.684 176.870 -0.535 0.000 1.073 353 L CA 1.845 56.217 54.840 -0.780 0.000 0.745 353 L CB -0.551 40.681 42.059 -1.377 0.000 0.894 353 L HN 0.264 nan 8.230 nan 0.000 0.432 354 A N -0.909 121.486 122.820 -0.708 0.000 1.933 354 A HA -0.287 4.032 4.320 -0.000 0.000 0.218 354 A C 2.249 179.744 177.584 -0.148 0.000 1.175 354 A CA 1.821 53.579 52.037 -0.465 0.000 0.628 354 A CB -0.670 18.028 19.000 -0.503 0.000 0.814 354 A HN 0.680 nan 8.150 nan 0.000 0.444 355 Q N -0.934 118.805 119.800 -0.102 0.000 2.050 355 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 355 Q C 2.006 178.091 176.000 0.143 0.000 0.980 355 Q CA 1.708 57.530 55.803 0.031 0.000 0.840 355 Q CB -0.234 28.511 28.738 0.012 0.000 0.898 355 Q HN 0.526 nan 8.270 nan 0.000 0.424 356 L N 0.192 121.489 121.223 0.123 0.000 2.017 356 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 356 L C 2.230 179.228 176.870 0.214 0.000 1.073 356 L CA 1.455 56.421 54.840 0.209 0.000 0.745 356 L CB -0.779 41.454 42.059 0.290 0.000 0.894 356 L HN 0.098 nan 8.230 nan 0.000 0.432 357 V N -0.892 119.087 119.914 0.108 0.000 2.324 357 V HA -0.364 3.756 4.120 -0.000 0.000 0.250 357 V C 2.323 178.481 176.094 0.106 0.000 1.060 357 V CA 2.295 64.638 62.300 0.072 0.000 1.042 357 V CB -0.939 30.875 31.823 -0.015 0.000 0.650 357 V HN 0.641 nan 8.190 nan 0.000 0.450 358 Y N -0.448 119.879 120.300 0.044 0.000 2.242 358 Y HA -0.224 4.326 4.550 -0.001 0.000 0.291 358 Y C 2.184 178.138 175.900 0.089 0.000 1.137 358 Y CA 1.622 59.752 58.100 0.049 0.000 1.181 358 Y CB -0.339 38.146 38.460 0.041 0.000 0.989 358 Y HN 0.266 nan 8.280 nan 0.000 0.527 359 F N 0.170 120.214 119.950 0.157 0.000 2.102 359 F HA -0.204 4.323 4.527 0.001 0.000 0.298 359 F C 1.750 177.554 175.800 0.006 0.000 1.105 359 F CA 1.765 59.825 58.000 0.100 0.000 1.239 359 F CB -0.386 38.682 39.000 0.112 0.000 0.991 359 F HN -0.004 nan 8.300 nan 0.000 0.474 360 L N -0.674 120.618 121.223 0.114 0.000 2.313 360 L HA 0.028 4.368 4.340 -0.000 0.000 0.214 360 L C 2.450 179.264 176.870 -0.094 0.000 1.119 360 L CA 0.923 55.770 54.840 0.011 0.000 0.809 360 L CB -1.112 41.022 42.059 0.124 0.000 0.933 360 L HN 0.299 nan 8.230 nan 0.000 0.449 361 G N -0.917 107.806 108.800 -0.129 0.000 2.985 361 G HA2 0.028 3.988 3.960 -0.000 0.000 0.209 361 G HA3 0.028 3.988 3.960 -0.000 0.000 0.209 361 G C 0.586 175.341 174.900 -0.243 0.000 1.165 361 G CA -0.071 44.934 45.100 -0.159 0.000 0.776 361 G HN 0.227 nan 8.290 nan 0.000 0.541 362 N N 0.000 118.508 118.700 -0.320 0.000 1.763 362 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 362 N CA 0.000 52.839 53.050 -0.352 0.000 0.885 362 N CB 0.000 38.147 38.487 -0.567 0.000 1.341 362 N HN 0.000 nan 8.380 nan 0.000 0.667