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 2z66_1_B DATA FIRST_RESID 24 DATA SEQUENCE cPSRcScSGT EIRcNSKGLT SVPTGIPSSA TRLELESNKL QSLPHGVFDK DATA SEQUENCE LTQLTKLSLS SXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXN GLSFKGCCSQ SDFGTTSLKY LDLSFNGVIT MSSNFLGLEQ DATA SEQUENCE LEHLDFQHSN LKQMSEFSVF LSLRNLIYLD ISHTHTRVAF NGIFNGLSSL DATA SEQUENCE EVLKMAGNSF QENFLPDIFT ELRNLTFLDL SQCQLEQLSP TAFNSLSSLQ DATA SEQUENCE VLNMSHNNFF SLDTFPYKCL NSLQVLDYSL NHIMTSKKQE LQHFPSSLAF DATA SEQUENCE LNLTQNDFAc TcEHQSFLQW IKDQRQLLVE VERMEcATPS DKQGMPVLSL DATA SEQUENCE NITc 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 24 c HA 0.000 nan 4.570 nan 0.000 0.325 24 c C 0.000 174.095 174.090 0.009 0.000 1.270 24 c CA 0.000 56.332 56.329 0.005 0.000 1.963 24 c CB 0.000 42.511 42.510 0.001 0.000 2.134 25 P HA 0.213 nan 4.420 nan 0.000 0.267 25 P C -0.355 176.954 177.300 0.014 0.000 1.201 25 P CA 0.283 63.394 63.100 0.017 0.000 0.775 25 P CB 0.528 32.244 31.700 0.026 0.000 0.854 26 S N 2.442 118.150 115.700 0.013 0.000 2.552 26 S HA 0.031 4.501 4.470 -0.000 0.000 0.289 26 S C 0.725 175.332 174.600 0.012 0.000 1.304 26 S CA -0.035 58.172 58.200 0.011 0.000 1.063 26 S CB -0.190 63.016 63.200 0.010 0.000 0.848 26 S HN 0.461 nan 8.310 nan 0.000 0.499 27 R N -1.493 119.012 120.500 0.009 0.000 3.936 27 R HA -0.161 4.179 4.340 -0.000 0.000 0.366 27 R C -0.634 175.671 176.300 0.009 0.000 1.158 27 R CA 0.714 56.819 56.100 0.008 0.000 0.969 27 R CB -2.649 27.658 30.300 0.011 0.000 1.504 27 R HN 0.592 nan 8.270 nan 0.000 0.538 28 c N -0.498 118.107 118.600 0.008 0.000 2.595 28 c HA 0.702 5.272 4.570 -0.000 0.000 0.338 28 c C 0.691 174.780 174.090 -0.001 0.000 1.219 28 c CA -0.586 55.747 56.329 0.006 0.000 1.811 28 c CB 2.160 44.677 42.510 0.011 0.000 2.313 28 c HN 0.315 nan 8.230 nan 0.000 0.499 29 S N 0.251 115.947 115.700 -0.007 0.000 2.454 29 S HA 0.569 5.039 4.470 -0.000 0.000 0.306 29 S C -0.843 173.748 174.600 -0.015 0.000 1.100 29 S CA -0.386 57.807 58.200 -0.012 0.000 1.087 29 S CB 0.774 63.964 63.200 -0.017 0.000 1.019 29 S HN 0.794 nan 8.310 nan 0.000 0.480 30 c N 2.425 121.017 118.600 -0.014 0.000 2.408 30 c HA 0.826 5.396 4.570 -0.000 0.000 0.321 30 c C 0.343 174.422 174.090 -0.020 0.000 1.245 30 c CA -0.725 55.595 56.329 -0.016 0.000 1.523 30 c CB 0.898 43.402 42.510 -0.010 0.000 2.178 30 c HN 0.777 nan 8.230 nan 0.000 0.488 31 S N 2.095 117.779 115.700 -0.026 0.000 2.776 31 S HA 0.622 5.092 4.470 -0.000 0.000 0.284 31 S C 0.361 174.943 174.600 -0.029 0.000 1.160 31 S CA 0.909 59.092 58.200 -0.027 0.000 1.051 31 S CB 0.387 63.567 63.200 -0.033 0.000 1.037 31 S HN 1.916 nan 8.310 nan 0.000 0.485 32 G N 4.036 112.821 108.800 -0.024 0.000 2.596 32 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.304 32 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.304 32 G C 0.802 175.689 174.900 -0.022 0.000 1.189 32 G CA 1.078 46.164 45.100 -0.023 0.000 0.986 32 G HN 1.750 nan 8.290 nan 0.000 0.548 33 T N -0.637 113.901 114.554 -0.027 0.000 3.145 33 T HA 0.508 4.858 4.350 -0.000 0.000 0.255 33 T C 0.426 175.105 174.700 -0.035 0.000 1.039 33 T CA 1.014 63.099 62.100 -0.025 0.000 0.928 33 T CB 0.202 69.056 68.868 -0.023 0.000 1.029 33 T HN 0.677 nan 8.240 nan 0.000 0.554 34 E N 1.199 121.374 120.200 -0.042 0.000 2.216 34 E HA 0.608 4.958 4.350 -0.000 0.000 0.279 34 E C -0.835 175.740 176.600 -0.042 0.000 0.997 34 E CA -0.675 55.692 56.400 -0.055 0.000 0.817 34 E CB 1.754 31.412 29.700 -0.070 0.000 1.096 34 E HN 0.411 nan 8.360 nan 0.000 0.393 35 I N 2.889 123.435 120.570 -0.041 0.000 2.447 35 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 35 I C -0.391 175.708 176.117 -0.030 0.000 1.023 35 I CA -0.673 60.612 61.300 -0.025 0.000 1.083 35 I CB 1.528 39.525 38.000 -0.005 0.000 1.245 35 I HN 0.275 nan 8.210 nan 0.000 0.434 36 R N 5.091 125.575 120.500 -0.026 0.000 2.480 36 R HA 0.564 4.904 4.340 -0.000 0.000 0.306 36 R C -1.156 175.140 176.300 -0.008 0.000 0.958 36 R CA -0.598 55.487 56.100 -0.025 0.000 0.861 36 R CB 1.781 32.058 30.300 -0.038 0.000 1.171 36 R HN 0.629 nan 8.270 nan 0.000 0.445 37 c N 2.429 121.032 118.600 0.004 0.000 3.401 37 c HA 0.355 4.925 4.570 -0.000 0.000 0.204 37 c C -0.325 173.775 174.090 0.017 0.000 1.522 37 c CA -1.454 54.883 56.329 0.015 0.000 1.409 37 c CB -1.183 41.346 42.510 0.030 0.000 1.967 37 c HN 0.686 nan 8.230 nan 0.000 0.496 38 N N 0.677 119.380 118.700 0.004 0.000 2.473 38 N HA 0.330 5.070 4.740 -0.000 0.000 0.291 38 N C 0.448 175.958 175.510 0.000 0.000 1.083 38 N CA 0.185 53.237 53.050 0.003 0.000 0.951 38 N CB 1.285 39.767 38.487 -0.009 0.000 1.164 38 N HN 0.414 nan 8.380 nan 0.000 0.480 39 S N 0.257 115.958 115.700 0.002 0.000 3.631 39 S HA -0.131 4.339 4.470 -0.000 0.000 0.366 39 S C 0.538 175.138 174.600 -0.000 0.000 0.993 39 S CA 0.532 58.730 58.200 -0.004 0.000 1.167 39 S CB -0.849 62.343 63.200 -0.014 0.000 0.909 39 S HN 0.579 nan 8.310 nan 0.000 0.478 40 K N -0.221 120.184 120.400 0.007 0.000 2.413 40 K HA 0.330 4.650 4.320 -0.000 0.000 0.204 40 K C 1.328 177.935 176.600 0.010 0.000 1.041 40 K CA 0.534 56.825 56.287 0.008 0.000 1.082 40 K CB 0.517 33.024 32.500 0.011 0.000 0.871 40 K HN 0.798 nan 8.250 nan 0.000 0.535 41 G N 2.391 111.198 108.800 0.012 0.000 2.258 41 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.274 41 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.274 41 G C 0.148 175.058 174.900 0.018 0.000 1.021 41 G CA 0.157 45.265 45.100 0.013 0.000 0.798 41 G HN 0.249 nan 8.290 nan 0.000 0.507 42 L N 0.161 121.398 121.223 0.024 0.000 2.453 42 L HA 0.309 4.649 4.340 -0.000 0.000 0.272 42 L C 1.941 178.828 176.870 0.028 0.000 1.182 42 L CA 0.642 55.498 54.840 0.027 0.000 0.858 42 L CB 0.674 42.754 42.059 0.036 0.000 1.120 42 L HN 0.392 nan 8.230 nan 0.000 0.474 43 T N -3.182 111.385 114.554 0.022 0.000 3.001 43 T HA 0.116 4.466 4.350 -0.000 0.000 0.251 43 T C 0.555 175.264 174.700 0.015 0.000 1.040 43 T CA 0.146 62.257 62.100 0.018 0.000 0.985 43 T CB 0.241 69.115 68.868 0.011 0.000 1.011 43 T HN 0.607 nan 8.240 nan 0.000 0.509 44 S N 0.374 116.084 115.700 0.016 0.000 2.595 44 S HA 0.693 5.163 4.470 -0.000 0.000 0.281 44 S C -0.652 173.961 174.600 0.022 0.000 1.117 44 S CA -0.877 57.328 58.200 0.010 0.000 0.873 44 S CB 1.720 64.919 63.200 -0.002 0.000 1.108 44 S HN 0.087 nan 8.310 nan 0.000 0.477 45 V N 2.879 122.802 119.914 0.016 0.000 2.585 45 V HA 0.227 4.347 4.120 -0.000 0.000 0.296 45 V C -1.995 174.118 176.094 0.031 0.000 1.035 45 V CA -0.927 61.397 62.300 0.039 0.000 1.084 45 V CB -0.313 31.512 31.823 0.003 0.000 0.953 45 V HN 0.778 nan 8.190 nan 0.000 0.483 46 P HA 0.093 nan 4.420 nan 0.000 0.265 46 P C 0.134 177.453 177.300 0.032 0.000 1.187 46 P CA 0.144 63.266 63.100 0.037 0.000 0.766 46 P CB 0.161 31.888 31.700 0.046 0.000 0.820 47 T N -1.030 113.536 114.554 0.020 0.000 2.882 47 T HA 0.464 4.814 4.350 -0.000 0.000 0.287 47 T C 1.032 175.745 174.700 0.022 0.000 1.014 47 T CA 0.016 62.125 62.100 0.015 0.000 1.049 47 T CB 0.717 69.589 68.868 0.007 0.000 1.001 47 T HN 0.798 nan 8.240 nan 0.000 0.525 48 G N 1.495 110.308 108.800 0.022 0.000 2.160 48 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 48 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 48 G C 0.072 174.992 174.900 0.032 0.000 1.022 48 G CA -0.080 45.033 45.100 0.023 0.000 0.741 48 G HN 0.965 nan 8.290 nan 0.000 0.508 49 I N 2.590 123.188 120.570 0.047 0.000 2.587 49 I HA 0.169 4.339 4.170 -0.000 0.000 0.284 49 I C -0.874 175.274 176.117 0.053 0.000 1.134 49 I CA -1.451 59.884 61.300 0.059 0.000 1.410 49 I CB 0.506 38.565 38.000 0.098 0.000 1.392 49 I HN 0.033 nan 8.210 nan 0.000 0.545 50 P HA 0.074 nan 4.420 nan 0.000 0.275 50 P C 0.520 177.842 177.300 0.036 0.000 1.228 50 P CA -0.405 62.714 63.100 0.031 0.000 0.786 50 P CB 0.971 32.684 31.700 0.020 0.000 0.927 51 S N 0.200 115.920 115.700 0.033 0.000 2.474 51 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 51 S C 1.655 176.271 174.600 0.026 0.000 0.997 51 S CA 0.989 59.210 58.200 0.036 0.000 0.949 51 S CB -1.104 62.115 63.200 0.033 0.000 0.766 51 S HN 0.597 nan 8.310 nan 0.000 0.517 52 S N 1.624 117.335 115.700 0.019 0.000 2.522 52 S HA 0.406 4.876 4.470 -0.000 0.000 0.227 52 S C 0.900 175.503 174.600 0.005 0.000 0.986 52 S CA 0.058 58.265 58.200 0.010 0.000 0.929 52 S CB -0.681 62.523 63.200 0.006 0.000 0.769 52 S HN 0.761 nan 8.310 nan 0.000 0.529 53 A N 2.023 124.848 122.820 0.008 0.000 2.546 53 A HA 0.425 4.745 4.320 -0.000 0.000 0.243 53 A C 1.371 178.947 177.584 -0.014 0.000 1.063 53 A CA 0.389 52.425 52.037 -0.002 0.000 0.757 53 A CB 0.042 19.046 19.000 0.007 0.000 0.991 53 A HN 0.616 nan 8.150 nan 0.000 0.503 54 T N 0.059 114.595 114.554 -0.030 0.000 2.978 54 T HA 0.264 4.614 4.350 -0.000 0.000 0.248 54 T C 0.644 175.303 174.700 -0.069 0.000 1.018 54 T CA 0.070 62.145 62.100 -0.041 0.000 1.026 54 T CB 0.117 68.962 68.868 -0.040 0.000 1.032 54 T HN 0.670 nan 8.240 nan 0.000 0.485 55 R N 0.513 120.965 120.500 -0.080 0.000 2.575 55 R HA 0.738 5.078 4.340 -0.000 0.000 0.293 55 R C -2.102 174.139 176.300 -0.099 0.000 0.983 55 R CA -0.884 55.146 56.100 -0.116 0.000 0.887 55 R CB 2.342 32.556 30.300 -0.143 0.000 1.184 55 R HN 0.191 nan 8.270 nan 0.000 0.445 56 L N 1.522 122.676 121.223 -0.115 0.000 2.439 56 L HA 0.407 4.747 4.340 -0.000 0.000 0.270 56 L C -1.230 175.589 176.870 -0.084 0.000 0.972 56 L CA -0.163 54.628 54.840 -0.081 0.000 0.836 56 L CB 2.078 44.094 42.059 -0.072 0.000 1.255 56 L HN 0.610 nan 8.230 nan 0.000 0.404 57 E N 6.230 126.399 120.200 -0.052 0.000 2.199 57 E HA 0.466 4.816 4.350 -0.000 0.000 0.265 57 E C -0.891 175.717 176.600 0.014 0.000 0.882 57 E CA -0.450 55.930 56.400 -0.033 0.000 0.759 57 E CB 2.105 31.770 29.700 -0.058 0.000 1.148 57 E HN 0.601 nan 8.360 nan 0.000 0.412 58 L N 2.799 124.051 121.223 0.049 0.000 3.083 58 L HA 0.283 4.623 4.340 -0.000 0.000 0.286 58 L C -0.080 176.838 176.870 0.079 0.000 1.307 58 L CA -0.159 54.728 54.840 0.078 0.000 0.897 58 L CB 0.209 42.347 42.059 0.131 0.000 1.306 58 L HN 0.385 nan 8.230 nan 0.000 0.569 59 E N -0.122 120.109 120.200 0.053 0.000 2.349 59 E HA 0.291 4.641 4.350 -0.000 0.000 0.265 59 E C 0.357 176.979 176.600 0.037 0.000 1.064 59 E CA -0.429 56.003 56.400 0.054 0.000 0.886 59 E CB 0.913 30.633 29.700 0.033 0.000 1.036 59 E HN 0.208 nan 8.360 nan 0.000 0.413 60 S N 1.375 117.096 115.700 0.035 0.000 3.631 60 S HA -0.147 4.323 4.470 -0.000 0.000 0.366 60 S C -0.254 174.359 174.600 0.021 0.000 0.993 60 S CA 0.399 58.605 58.200 0.009 0.000 1.167 60 S CB -1.300 61.886 63.200 -0.024 0.000 0.909 60 S HN 0.498 nan 8.310 nan 0.000 0.478 61 N N 0.823 119.549 118.700 0.043 0.000 3.061 61 N HA 0.453 5.193 4.740 -0.000 0.000 0.346 61 N C 0.302 175.839 175.510 0.046 0.000 1.392 61 N CA -0.732 52.343 53.050 0.042 0.000 0.762 61 N CB 0.545 39.064 38.487 0.053 0.000 1.367 61 N HN 0.207 nan 8.380 nan 0.000 0.607 62 K N 0.843 121.269 120.400 0.043 0.000 3.084 62 K HA 0.399 4.719 4.320 -0.000 0.000 0.210 62 K C -0.631 175.993 176.600 0.041 0.000 1.137 62 K CA -0.103 56.208 56.287 0.040 0.000 1.010 62 K CB 0.168 32.684 32.500 0.028 0.000 0.806 62 K HN 0.261 nan 8.250 nan 0.000 0.460 63 L N 1.747 123.003 121.223 0.055 0.000 2.433 63 L HA 0.088 4.428 4.340 -0.000 0.000 0.275 63 L C 1.193 178.084 176.870 0.036 0.000 1.128 63 L CA 0.264 55.134 54.840 0.050 0.000 0.875 63 L CB 0.483 42.590 42.059 0.080 0.000 1.171 63 L HN 0.270 nan 8.230 nan 0.000 0.463 64 Q N 1.184 120.990 119.800 0.011 0.000 2.317 64 Q HA 0.183 4.523 4.340 -0.000 0.000 0.220 64 Q C 0.210 176.185 176.000 -0.041 0.000 0.873 64 Q CA 0.042 55.841 55.803 -0.006 0.000 0.936 64 Q CB 1.269 30.006 28.738 -0.002 0.000 1.105 64 Q HN 0.686 nan 8.270 nan 0.000 0.520 65 S N -0.200 115.472 115.700 -0.047 0.000 2.567 65 S HA 0.568 5.038 4.470 -0.000 0.000 0.270 65 S C -2.010 172.547 174.600 -0.072 0.000 1.152 65 S CA -0.683 57.468 58.200 -0.081 0.000 0.835 65 S CB 0.975 64.135 63.200 -0.066 0.000 1.115 65 S HN 0.153 nan 8.310 nan 0.000 0.459 66 L N 3.564 124.728 121.223 -0.099 0.000 2.356 66 L HA 0.549 4.889 4.340 -0.000 0.000 0.277 66 L C -2.126 174.682 176.870 -0.104 0.000 0.996 66 L CA -1.904 52.872 54.840 -0.107 0.000 0.822 66 L CB 1.776 43.778 42.059 -0.095 0.000 1.256 66 L HN 0.524 nan 8.230 nan 0.000 0.413 67 P HA -0.017 nan 4.420 nan 0.000 0.268 67 P C -0.565 176.699 177.300 -0.059 0.000 1.205 67 P CA -0.157 62.902 63.100 -0.069 0.000 0.771 67 P CB 0.399 32.053 31.700 -0.077 0.000 0.858 68 H N 1.768 120.783 119.070 -0.091 0.000 3.125 68 H HA 0.244 4.800 4.556 -0.000 0.000 0.310 68 H C 1.568 176.849 175.328 -0.078 0.000 0.980 68 H CA 1.744 57.746 56.048 -0.078 0.000 1.422 68 H CB -0.527 29.201 29.762 -0.056 0.000 1.432 68 H HN 0.827 nan 8.280 nan 0.000 0.577 69 G N 3.552 112.024 108.800 -0.546 0.000 2.198 69 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 69 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 69 G C 1.184 175.943 174.900 -0.235 0.000 1.025 69 G CA 0.544 45.398 45.100 -0.410 0.000 0.769 69 G HN 0.740 nan 8.290 nan 0.000 0.507 70 V N -1.046 118.689 119.914 -0.299 0.000 2.594 70 V HA 0.092 4.212 4.120 -0.000 0.000 0.253 70 V C 2.029 177.931 176.094 -0.320 0.000 1.069 70 V CA 2.430 64.504 62.300 -0.376 0.000 1.082 70 V CB -0.320 31.160 31.823 -0.573 0.000 0.680 70 V HN 0.533 nan 8.190 nan 0.000 0.469 71 F N -0.818 119.144 119.950 0.021 0.000 2.664 71 F HA 0.214 4.740 4.527 -0.000 0.000 0.303 71 F C 1.717 177.539 175.800 0.037 0.000 1.092 71 F CA -0.188 57.849 58.000 0.061 0.000 1.305 71 F CB 0.115 39.203 39.000 0.147 0.000 1.054 71 F HN 0.145 nan 8.300 nan 0.000 0.565 72 D N 0.787 121.256 120.400 0.114 0.000 2.221 72 D HA -0.130 4.510 4.640 -0.000 0.000 0.204 72 D C 1.900 178.244 176.300 0.073 0.000 0.982 72 D CA 1.113 55.151 54.000 0.062 0.000 0.857 72 D CB 0.014 40.805 40.800 -0.016 0.000 0.934 72 D HN 0.154 nan 8.370 nan 0.000 0.475 73 K N -0.029 120.422 120.400 0.083 0.000 2.393 73 K HA 0.145 4.465 4.320 -0.000 0.000 0.193 73 K C 0.864 177.514 176.600 0.083 0.000 1.026 73 K CA -0.018 56.310 56.287 0.069 0.000 1.064 73 K CB 0.439 32.971 32.500 0.053 0.000 0.833 73 K HN 0.225 nan 8.250 nan 0.000 0.521 74 L N 2.921 124.217 121.223 0.121 0.000 2.536 74 L HA 0.113 4.453 4.340 -0.000 0.000 0.242 74 L C 1.151 178.069 176.870 0.079 0.000 1.280 74 L CA -0.167 54.735 54.840 0.104 0.000 1.221 74 L CB -0.455 41.686 42.059 0.137 0.000 1.449 74 L HN 0.084 nan 8.230 nan 0.000 0.405 75 T N -3.868 110.723 114.554 0.062 0.000 3.113 75 T HA -0.042 4.308 4.350 -0.000 0.000 0.256 75 T C 1.346 176.069 174.700 0.039 0.000 1.131 75 T CA 0.350 62.483 62.100 0.054 0.000 1.074 75 T CB 0.134 69.030 68.868 0.046 0.000 0.944 75 T HN 0.321 nan 8.240 nan 0.000 0.516 76 Q N 0.177 119.994 119.800 0.028 0.000 2.282 76 Q HA 0.365 4.705 4.340 -0.000 0.000 0.206 76 Q C -0.018 175.983 176.000 0.001 0.000 0.878 76 Q CA -0.230 55.582 55.803 0.014 0.000 0.944 76 Q CB 0.042 28.785 28.738 0.010 0.000 1.100 76 Q HN 0.402 nan 8.270 nan 0.000 0.509 77 L N 2.340 123.563 121.223 0.000 0.000 2.462 77 L HA 0.008 4.348 4.340 -0.000 0.000 0.272 77 L C 1.307 178.159 176.870 -0.030 0.000 1.166 77 L CA 0.956 55.778 54.840 -0.029 0.000 0.880 77 L CB 0.897 42.928 42.059 -0.046 0.000 1.142 77 L HN 0.159 nan 8.230 nan 0.000 0.473 78 T N 0.306 114.833 114.554 -0.046 0.000 2.971 78 T HA 0.206 4.556 4.350 -0.000 0.000 0.252 78 T C 0.583 175.253 174.700 -0.050 0.000 1.022 78 T CA -0.225 61.853 62.100 -0.037 0.000 0.980 78 T CB 0.133 68.981 68.868 -0.033 0.000 1.044 78 T HN 0.388 nan 8.240 nan 0.000 0.501 79 K N 0.484 120.826 120.400 -0.096 0.000 2.507 79 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 79 K C -2.329 174.176 176.600 -0.159 0.000 0.943 79 K CA -1.048 55.157 56.287 -0.137 0.000 0.794 79 K CB 2.051 34.382 32.500 -0.282 0.000 1.188 79 K HN 0.159 nan 8.250 nan 0.000 0.428 80 L N 2.533 123.680 121.223 -0.127 0.000 2.438 80 L HA 0.490 4.830 4.340 -0.000 0.000 0.270 80 L C -1.602 175.219 176.870 -0.082 0.000 0.972 80 L CA 0.006 54.738 54.840 -0.180 0.000 0.831 80 L CB 2.170 44.023 42.059 -0.343 0.000 1.273 80 L HN 0.549 nan 8.230 nan 0.000 0.405 81 S N 5.073 120.740 115.700 -0.055 0.000 2.605 81 S HA 0.634 5.104 4.470 -0.000 0.000 0.308 81 S C -0.206 174.429 174.600 0.058 0.000 1.113 81 S CA -0.506 57.712 58.200 0.030 0.000 1.049 81 S CB 0.753 63.980 63.200 0.045 0.000 1.001 81 S HN 0.697 nan 8.310 nan 0.000 0.480 82 L N 3.524 124.815 121.223 0.114 0.000 3.110 82 L HA 0.367 4.707 4.340 -0.000 0.000 0.266 82 L C 0.841 177.839 176.870 0.213 0.000 1.257 82 L CA -0.287 54.669 54.840 0.193 0.000 1.038 82 L CB 0.641 42.884 42.059 0.307 0.000 1.395 82 L HN 0.586 nan 8.230 nan 0.000 0.566 83 S N 0.102 115.913 115.700 0.185 0.000 2.552 83 S HA 0.241 4.711 4.470 -0.000 0.000 0.289 83 S C 0.594 175.314 174.600 0.201 0.000 1.304 83 S CA 0.688 59.026 58.200 0.230 0.000 1.063 83 S CB 0.320 63.652 63.200 0.220 0.000 0.848 83 S HN 0.507 nan 8.310 nan 0.000 0.499 384 G N 0.744 109.606 108.800 0.103 0.000 4.222 384 G HA2 0.437 4.397 3.960 -0.000 0.000 0.301 384 G HA3 0.437 4.397 3.960 -0.000 0.000 0.301 384 G C -0.179 174.755 174.900 0.057 0.000 1.171 384 G CA -0.086 45.065 45.100 0.085 0.000 0.937 384 G HN 0.210 nan 8.290 nan 0.000 0.557 385 L N 1.161 122.430 121.223 0.076 0.000 2.349 385 L HA 0.439 4.779 4.340 -0.000 0.000 0.275 385 L C 0.145 176.987 176.870 -0.046 0.000 1.115 385 L CA -0.121 54.693 54.840 -0.043 0.000 0.820 385 L CB 1.485 43.519 42.059 -0.043 0.000 1.135 385 L HN 0.008 nan 8.230 nan 0.000 0.445 386 S N 2.352 117.927 115.700 -0.208 0.000 2.503 386 S HA 0.659 5.129 4.470 -0.000 0.000 0.301 386 S C -0.831 173.587 174.600 -0.303 0.000 1.087 386 S CA -0.453 57.690 58.200 -0.094 0.000 1.042 386 S CB 1.217 64.400 63.200 -0.028 0.000 1.043 386 S HN 0.256 nan 8.310 nan 0.000 0.489 387 F N 2.007 122.000 119.950 0.072 0.000 2.403 387 F HA 0.412 4.938 4.527 -0.000 0.000 0.355 387 F C 1.169 176.976 175.800 0.012 0.000 1.119 387 F CA -0.706 57.328 58.000 0.056 0.000 1.007 387 F CB 1.299 40.359 39.000 0.099 0.000 1.194 387 F HN 0.505 nan 8.300 nan 0.000 0.443 388 K N 1.929 122.392 120.400 0.105 0.000 2.288 388 K HA 0.124 4.444 4.320 -0.000 0.000 0.201 388 K C 0.887 177.506 176.600 0.032 0.000 1.048 388 K CA 0.649 56.962 56.287 0.043 0.000 0.956 388 K CB 0.254 32.753 32.500 -0.001 0.000 0.746 388 K HN 0.748 nan 8.250 nan 0.000 0.461 389 G N 0.683 109.520 108.800 0.061 0.000 2.770 389 G HA2 0.234 4.194 3.960 -0.000 0.000 0.298 389 G HA3 0.234 4.194 3.960 -0.000 0.000 0.298 389 G C -1.469 173.438 174.900 0.011 0.000 1.534 389 G CA -0.519 44.584 45.100 0.005 0.000 1.046 389 G HN 0.087 nan 8.290 nan 0.000 0.548 390 C N 1.583 120.869 119.300 -0.022 0.000 2.365 390 C HA 0.876 5.336 4.460 -0.000 0.000 0.349 390 C C 0.281 175.128 174.990 -0.239 0.000 1.191 390 C CA -0.133 58.835 59.018 -0.083 0.000 2.114 390 C CB 0.042 27.741 27.740 -0.068 0.000 2.367 390 C HN 0.809 nan 8.230 nan 0.000 0.530 391 C N 2.979 122.071 119.300 -0.346 0.000 2.686 391 C HA 0.871 5.331 4.460 -0.000 0.000 0.318 391 C C -0.282 174.664 174.990 -0.073 0.000 1.160 391 C CA -0.487 58.452 59.018 -0.132 0.000 1.396 391 C CB 0.633 28.351 27.740 -0.037 0.000 1.924 391 C HN 0.988 nan 8.230 nan 0.000 0.471 392 S N 0.572 116.303 115.700 0.053 0.000 2.588 392 S HA 0.415 4.885 4.470 -0.000 0.000 0.269 392 S C 0.334 175.012 174.600 0.129 0.000 1.157 392 S CA -0.315 57.927 58.200 0.070 0.000 0.824 392 S CB 1.311 64.508 63.200 -0.005 0.000 1.126 392 S HN 0.822 nan 8.310 nan 0.000 0.464 393 Q N 1.699 121.579 119.800 0.135 0.000 2.291 393 Q HA -0.033 4.307 4.340 -0.000 0.000 0.206 393 Q C 1.674 177.725 176.000 0.085 0.000 0.976 393 Q CA 2.269 58.157 55.803 0.143 0.000 0.875 393 Q CB -0.836 27.971 28.738 0.116 0.000 0.927 393 Q HN 0.674 nan 8.270 nan 0.000 0.450 394 S N -0.153 115.567 115.700 0.032 0.000 2.453 394 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 394 S C 1.226 175.788 174.600 -0.063 0.000 1.005 394 S CA 0.880 59.080 58.200 -0.000 0.000 0.949 394 S CB -0.167 63.040 63.200 0.011 0.000 0.774 394 S HN 0.318 nan 8.310 nan 0.000 0.510 395 D N 0.637 120.933 120.400 -0.174 0.000 2.213 395 D HA 0.128 4.768 4.640 -0.000 0.000 0.205 395 D C 0.564 176.567 176.300 -0.495 0.000 0.961 395 D CA 0.883 54.609 54.000 -0.455 0.000 0.853 395 D CB -0.075 40.207 40.800 -0.864 0.000 0.967 395 D HN 0.605 nan 8.370 nan 0.000 0.496 396 F N -1.380 118.683 119.950 0.188 0.000 2.781 396 F HA 0.304 4.831 4.527 -0.000 0.000 0.322 396 F C 1.821 177.704 175.800 0.138 0.000 1.108 396 F CA -0.040 58.068 58.000 0.181 0.000 1.179 396 F CB 1.164 40.191 39.000 0.044 0.000 1.072 396 F HN -0.030 nan 8.300 nan 0.000 0.545 397 G N 0.499 109.436 108.800 0.229 0.000 2.779 397 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.230 397 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.230 397 G C 0.705 175.685 174.900 0.132 0.000 1.243 397 G CA 0.662 45.858 45.100 0.160 0.000 0.769 397 G HN 0.408 nan 8.290 nan 0.000 0.516 398 T N 0.811 115.454 114.554 0.148 0.000 2.904 398 T HA 0.521 4.871 4.350 -0.000 0.000 0.290 398 T C 1.651 176.418 174.700 0.111 0.000 1.018 398 T CA 1.355 63.518 62.100 0.104 0.000 1.075 398 T CB 1.139 70.051 68.868 0.073 0.000 0.986 398 T HN 1.097 nan 8.240 nan 0.000 0.523 399 T N -0.586 114.018 114.554 0.083 0.000 3.085 399 T HA 0.182 4.532 4.350 -0.000 0.000 0.264 399 T C 1.110 175.851 174.700 0.068 0.000 1.019 399 T CA 0.237 62.387 62.100 0.083 0.000 0.910 399 T CB -0.108 68.802 68.868 0.071 0.000 1.059 399 T HN 0.522 nan 8.240 nan 0.000 0.542 400 S N 0.638 116.370 115.700 0.055 0.000 2.664 400 S HA 0.427 4.897 4.470 -0.000 0.000 0.245 400 S C 0.289 174.906 174.600 0.028 0.000 1.019 400 S CA -0.695 57.528 58.200 0.038 0.000 0.996 400 S CB -0.479 62.737 63.200 0.027 0.000 0.878 400 S HN 0.457 nan 8.310 nan 0.000 0.493 401 L N 2.076 123.319 121.223 0.034 0.000 2.513 401 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 401 L C 1.130 178.012 176.870 0.021 0.000 1.187 401 L CA 0.306 55.153 54.840 0.011 0.000 0.895 401 L CB 0.642 42.698 42.059 -0.005 0.000 1.147 401 L HN 0.341 nan 8.230 nan 0.000 0.483 402 K N 3.567 123.982 120.400 0.025 0.000 2.391 402 K HA 0.104 4.424 4.320 -0.000 0.000 0.197 402 K C -0.725 175.925 176.600 0.083 0.000 1.087 402 K CA 0.051 56.363 56.287 0.042 0.000 1.012 402 K CB 0.828 33.351 32.500 0.039 0.000 0.925 402 K HN 0.429 nan 8.250 nan 0.000 0.547 403 Y N 0.997 121.245 120.300 -0.087 0.000 2.332 403 Y HA 0.390 4.940 4.550 -0.000 0.000 0.325 403 Y C -1.985 173.826 175.900 -0.148 0.000 1.054 403 Y CA -1.441 56.597 58.100 -0.104 0.000 1.119 403 Y CB 1.376 39.725 38.460 -0.184 0.000 1.168 403 Y HN -0.177 nan 8.280 nan 0.000 0.439 404 L N 6.671 127.826 121.223 -0.113 0.000 2.409 404 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 404 L C -1.847 174.889 176.870 -0.223 0.000 0.980 404 L CA -0.289 54.451 54.840 -0.167 0.000 0.826 404 L CB 1.763 43.666 42.059 -0.260 0.000 1.268 404 L HN 0.699 nan 8.230 nan 0.000 0.407 405 D N 4.901 125.243 120.400 -0.096 0.000 2.462 405 D HA 0.351 4.991 4.640 -0.000 0.000 0.245 405 D C -0.374 175.923 176.300 -0.005 0.000 1.122 405 D CA -0.097 53.874 54.000 -0.047 0.000 0.864 405 D CB 1.107 41.982 40.800 0.124 0.000 1.098 405 D HN 0.639 nan 8.370 nan 0.000 0.541 406 L N 2.585 123.789 121.223 -0.032 0.000 3.066 406 L HA 0.168 4.508 4.340 -0.000 0.000 0.265 406 L C 0.892 177.907 176.870 0.242 0.000 1.232 406 L CA -0.381 54.537 54.840 0.129 0.000 1.031 406 L CB 0.207 42.332 42.059 0.110 0.000 1.379 406 L HN 0.274 nan 8.230 nan 0.000 0.563 407 S N -0.836 114.989 115.700 0.208 0.000 2.589 407 S HA 0.252 4.722 4.470 -0.000 0.000 0.265 407 S C 0.423 175.228 174.600 0.343 0.000 1.342 407 S CA -0.346 57.981 58.200 0.212 0.000 1.005 407 S CB 0.175 63.492 63.200 0.195 0.000 0.909 407 S HN 0.272 nan 8.310 nan 0.000 0.555 408 F N -0.152 119.944 119.950 0.243 0.000 3.027 408 F HA -0.194 4.333 4.527 0.001 0.000 0.276 408 F C 0.582 176.496 175.800 0.190 0.000 0.967 408 F CA 0.600 58.718 58.000 0.197 0.000 0.929 408 F CB -2.089 36.980 39.000 0.116 0.000 0.873 408 F HN 0.655 nan 8.300 nan 0.000 0.787 409 N N -0.489 118.402 118.700 0.319 0.000 3.369 409 N HA 0.682 5.422 4.740 -0.000 0.000 0.362 409 N C 0.993 176.647 175.510 0.240 0.000 1.523 409 N CA -0.001 53.225 53.050 0.293 0.000 0.684 409 N CB 0.616 39.326 38.487 0.371 0.000 1.796 409 N HN 0.178 nan 8.380 nan 0.000 0.641 410 G N 0.159 109.090 108.800 0.217 0.000 3.286 410 G HA2 0.321 4.281 3.960 -0.000 0.000 0.173 410 G HA3 0.321 4.281 3.960 -0.000 0.000 0.173 410 G C -0.471 174.524 174.900 0.159 0.000 1.704 410 G CA -0.063 45.130 45.100 0.155 0.000 1.041 410 G HN 0.258 nan 8.290 nan 0.000 0.561 411 V N 1.020 121.007 119.914 0.121 0.000 2.461 411 V HA 0.381 4.501 4.120 -0.000 0.000 0.275 411 V C -0.277 175.918 176.094 0.169 0.000 1.047 411 V CA -0.023 62.339 62.300 0.104 0.000 0.955 411 V CB 1.093 32.944 31.823 0.047 0.000 0.988 411 V HN 0.339 nan 8.190 nan 0.000 0.471 412 I N 4.151 124.807 120.570 0.143 0.000 2.390 412 I HA 0.309 4.479 4.170 -0.000 0.000 0.283 412 I C 0.081 176.213 176.117 0.024 0.000 1.016 412 I CA -0.095 61.294 61.300 0.148 0.000 1.151 412 I CB 1.637 39.698 38.000 0.102 0.000 1.293 412 I HN 0.519 nan 8.210 nan 0.000 0.458 413 T N 6.849 121.426 114.554 0.038 0.000 2.767 413 T HA 0.405 4.755 4.350 -0.000 0.000 0.288 413 T C 0.208 174.863 174.700 -0.075 0.000 0.963 413 T CA -0.581 61.506 62.100 -0.023 0.000 1.019 413 T CB 0.903 69.766 68.868 -0.009 0.000 0.923 413 T HN 0.264 nan 8.240 nan 0.000 0.468 414 M N 3.655 123.175 119.600 -0.134 0.000 2.156 414 M HA 0.215 4.695 4.480 -0.000 0.000 0.345 414 M C 1.219 177.394 176.300 -0.209 0.000 1.398 414 M CA -0.228 54.946 55.300 -0.210 0.000 1.148 414 M CB 0.378 32.825 32.600 -0.255 0.000 1.663 414 M HN 0.819 nan 8.290 nan 0.000 0.464 415 S N 0.635 116.217 115.700 -0.196 0.000 2.524 415 S HA 0.159 4.629 4.470 -0.000 0.000 0.222 415 S C 0.710 175.189 174.600 -0.201 0.000 1.040 415 S CA -0.301 57.786 58.200 -0.188 0.000 0.915 415 S CB 0.537 63.662 63.200 -0.125 0.000 0.831 415 S HN 0.580 nan 8.310 nan 0.000 0.492 416 S N 1.627 117.199 115.700 -0.214 0.000 2.532 416 S HA 0.510 4.980 4.470 -0.000 0.000 0.299 416 S C -1.178 173.263 174.600 -0.265 0.000 1.105 416 S CA -0.728 57.357 58.200 -0.191 0.000 1.018 416 S CB 0.696 63.815 63.200 -0.135 0.000 1.021 416 S HN 0.279 nan 8.310 nan 0.000 0.483 417 N N 3.762 122.366 118.700 -0.161 0.000 3.303 417 N HA 0.218 4.958 4.740 -0.000 0.000 0.304 417 N C -0.679 174.922 175.510 0.151 0.000 1.302 417 N CA -0.160 52.852 53.050 -0.064 0.000 1.213 417 N CB -1.101 37.394 38.487 0.012 0.000 1.481 417 N HN 0.697 nan 8.380 nan 0.000 0.546 418 F N -1.727 118.248 119.950 0.042 0.000 3.074 418 F HA -0.261 4.266 4.527 -0.000 0.000 0.287 418 F C 0.382 176.230 175.800 0.081 0.000 0.932 418 F CA -0.280 57.776 58.000 0.094 0.000 0.995 418 F CB -1.721 37.356 39.000 0.128 0.000 0.966 418 F HN 0.222 nan 8.300 nan 0.000 0.721 419 L N 1.589 122.895 121.223 0.138 0.000 2.562 419 L HA 0.443 4.783 4.340 -0.000 0.000 0.271 419 L C 1.236 178.181 176.870 0.124 0.000 1.167 419 L CA 1.346 56.251 54.840 0.108 0.000 0.917 419 L CB 0.444 42.534 42.059 0.051 0.000 1.187 419 L HN 0.600 nan 8.230 nan 0.000 0.482 420 G N 3.970 112.845 108.800 0.124 0.000 2.157 420 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 420 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 420 G C 0.427 175.413 174.900 0.144 0.000 0.979 420 G CA 0.321 45.492 45.100 0.117 0.000 0.650 420 G HN 0.588 nan 8.290 nan 0.000 0.529 421 L N -0.167 121.169 121.223 0.189 0.000 3.202 421 L HA 0.362 4.702 4.340 -0.000 0.000 0.278 421 L C 1.445 178.406 176.870 0.153 0.000 1.268 421 L CA -0.237 54.725 54.840 0.204 0.000 1.034 421 L CB 0.611 42.869 42.059 0.331 0.000 1.407 421 L HN 0.042 nan 8.230 nan 0.000 0.581 422 E N 0.100 120.372 120.200 0.120 0.000 2.418 422 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 422 E C 1.564 178.195 176.600 0.051 0.000 1.026 422 E CA 0.673 57.124 56.400 0.084 0.000 0.862 422 E CB 0.030 29.778 29.700 0.081 0.000 0.799 422 E HN 0.473 nan 8.360 nan 0.000 0.518 423 Q N -0.082 119.748 119.800 0.050 0.000 2.403 423 Q HA 0.113 4.453 4.340 -0.000 0.000 0.203 423 Q C 0.009 176.020 176.000 0.018 0.000 0.932 423 Q CA -0.123 55.699 55.803 0.033 0.000 0.945 423 Q CB 0.204 28.963 28.738 0.035 0.000 1.045 423 Q HN 0.306 nan 8.270 nan 0.000 0.511 424 L N 1.579 122.807 121.223 0.008 0.000 2.578 424 L HA -0.123 4.217 4.340 -0.000 0.000 0.279 424 L C 1.050 177.899 176.870 -0.034 0.000 1.227 424 L CA 0.784 55.610 54.840 -0.023 0.000 0.900 424 L CB 0.371 42.385 42.059 -0.075 0.000 1.144 424 L HN 0.248 nan 8.230 nan 0.000 0.496 425 E N 0.924 121.115 120.200 -0.015 0.000 2.421 425 E HA 0.086 4.436 4.350 -0.000 0.000 0.209 425 E C -0.054 176.546 176.600 0.001 0.000 0.871 425 E CA -0.022 56.376 56.400 -0.002 0.000 1.064 425 E CB 0.770 30.488 29.700 0.030 0.000 1.075 425 E HN 0.445 nan 8.360 nan 0.000 0.513 426 H N 0.587 119.557 119.070 -0.167 0.000 2.689 426 H HA 0.452 5.008 4.556 -0.000 0.000 0.346 426 H C -1.869 173.227 175.328 -0.386 0.000 1.037 426 H CA -0.754 55.116 56.048 -0.295 0.000 1.234 426 H CB 1.513 30.936 29.762 -0.565 0.000 1.572 426 H HN -0.021 nan 8.280 nan 0.000 0.524 427 L N 5.510 126.484 121.223 -0.415 0.000 2.439 427 L HA 0.355 4.695 4.340 -0.000 0.000 0.270 427 L C -1.374 175.246 176.870 -0.417 0.000 0.972 427 L CA -0.342 54.265 54.840 -0.389 0.000 0.836 427 L CB 1.741 43.615 42.059 -0.307 0.000 1.255 427 L HN 0.628 nan 8.230 nan 0.000 0.404 428 D N 3.836 123.965 120.400 -0.452 0.000 2.620 428 D HA 0.334 4.974 4.640 -0.000 0.000 0.252 428 D C -0.447 175.665 176.300 -0.314 0.000 1.207 428 D CA -0.010 53.848 54.000 -0.236 0.000 0.884 428 D CB 0.871 41.669 40.800 -0.004 0.000 1.262 428 D HN 0.452 nan 8.370 nan 0.000 0.552 429 F N 1.087 121.080 119.950 0.072 0.000 2.688 429 F HA 0.167 4.694 4.527 -0.000 0.000 0.310 429 F C 1.339 177.155 175.800 0.026 0.000 1.098 429 F CA -0.577 57.471 58.000 0.079 0.000 1.228 429 F CB 0.581 39.653 39.000 0.120 0.000 1.042 429 F HN 0.258 nan 8.300 nan 0.000 0.557 430 Q N 1.472 121.343 119.800 0.118 0.000 2.283 430 Q HA -0.143 4.197 4.340 -0.000 0.000 0.301 430 Q C 0.285 176.163 176.000 -0.203 0.000 1.063 430 Q CA 0.720 56.502 55.803 -0.036 0.000 0.952 430 Q CB 0.072 28.796 28.738 -0.024 0.000 1.166 430 Q HN 0.412 nan 8.270 nan 0.000 0.381 431 H N 0.827 119.772 119.070 -0.207 0.000 2.899 431 H HA -0.132 4.425 4.556 0.000 0.000 0.282 431 H C -1.009 174.290 175.328 -0.050 0.000 1.198 431 H CA 0.992 56.898 56.048 -0.237 0.000 1.140 431 H CB -1.449 27.882 29.762 -0.718 0.000 1.317 431 H HN 0.477 nan 8.280 nan 0.000 0.375 432 S N 0.726 116.501 115.700 0.126 0.000 2.513 432 S HA 0.202 4.672 4.470 -0.000 0.000 0.299 432 S C 0.392 175.095 174.600 0.173 0.000 1.087 432 S CA -0.887 57.426 58.200 0.189 0.000 1.012 432 S CB 2.185 65.534 63.200 0.248 0.000 1.044 432 S HN 0.315 nan 8.310 nan 0.000 0.485 433 N N 3.052 121.846 118.700 0.157 0.000 2.421 433 N HA 0.159 4.899 4.740 -0.000 0.000 0.260 433 N C -0.902 174.645 175.510 0.061 0.000 1.173 433 N CA 0.001 53.120 53.050 0.115 0.000 0.960 433 N CB -0.393 38.097 38.487 0.005 0.000 1.273 433 N HN 0.546 nan 8.380 nan 0.000 0.497 434 L N 3.139 124.385 121.223 0.038 0.000 2.367 434 L HA 0.263 4.603 4.340 -0.000 0.000 0.275 434 L C 0.651 177.507 176.870 -0.023 0.000 1.129 434 L CA -0.015 54.799 54.840 -0.043 0.000 0.839 434 L CB 0.644 42.638 42.059 -0.108 0.000 1.133 434 L HN 0.265 nan 8.230 nan 0.000 0.453 435 K N 3.265 123.642 120.400 -0.038 0.000 2.371 435 K HA 0.354 4.674 4.320 -0.000 0.000 0.251 435 K C -0.651 175.942 176.600 -0.012 0.000 0.934 435 K CA -0.809 55.469 56.287 -0.015 0.000 0.798 435 K CB 1.977 34.472 32.500 -0.008 0.000 1.204 435 K HN 0.407 nan 8.250 nan 0.000 0.427 436 Q N 1.119 120.947 119.800 0.047 0.000 2.503 436 Q HA -0.237 4.103 4.340 -0.000 0.000 0.267 436 Q C 0.231 176.335 176.000 0.174 0.000 1.030 436 Q CA 0.956 56.852 55.803 0.154 0.000 1.041 436 Q CB -1.132 27.628 28.738 0.037 0.000 1.406 436 Q HN 0.792 nan 8.270 nan 0.000 0.524 437 M N -1.132 118.525 119.600 0.094 0.000 2.858 437 M HA 0.006 4.486 4.480 -0.000 0.000 0.255 437 M C 1.773 178.127 176.300 0.089 0.000 1.336 437 M CA 1.933 57.260 55.300 0.046 0.000 1.220 437 M CB 0.112 32.685 32.600 -0.044 0.000 1.252 437 M HN 0.176 nan 8.290 nan 0.000 0.538 438 S N 0.051 115.767 115.700 0.027 0.000 2.453 438 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 438 S C 1.121 175.700 174.600 -0.035 0.000 1.005 438 S CA 1.083 59.268 58.200 -0.025 0.000 0.949 438 S CB -0.421 62.735 63.200 -0.073 0.000 0.774 438 S HN 0.526 nan 8.310 nan 0.000 0.510 439 E N 0.209 120.278 120.200 -0.218 0.000 2.478 439 E HA 0.352 4.702 4.350 -0.000 0.000 0.194 439 E C -0.322 175.667 176.600 -1.019 0.000 1.045 439 E CA 0.166 56.180 56.400 -0.644 0.000 0.868 439 E CB 0.024 29.134 29.700 -0.985 0.000 0.885 439 E HN 0.651 nan 8.360 nan 0.000 0.505 440 F N -1.273 118.624 119.950 -0.090 0.000 2.764 440 F HA 0.458 4.985 4.527 -0.000 0.000 0.347 440 F C 0.182 176.093 175.800 0.186 0.000 1.151 440 F CA -1.388 56.550 58.000 -0.103 0.000 1.021 440 F CB 1.312 40.241 39.000 -0.118 0.000 1.438 440 F HN -0.468 nan 8.300 nan 0.000 0.516 441 S N 0.870 116.808 115.700 0.395 0.000 2.468 441 S HA 0.232 4.702 4.470 -0.000 0.000 0.190 441 S C 0.790 175.486 174.600 0.160 0.000 1.445 441 S CA -0.502 57.883 58.200 0.309 0.000 1.084 441 S CB 0.500 63.894 63.200 0.323 0.000 1.175 441 S HN 0.544 nan 8.310 nan 0.000 0.484 442 V N -1.095 118.810 119.914 -0.015 0.000 3.041 442 V HA 0.107 4.227 4.120 -0.000 0.000 0.260 442 V C 0.870 176.938 176.094 -0.044 0.000 1.105 442 V CA 1.191 63.402 62.300 -0.148 0.000 1.125 442 V CB -0.915 30.699 31.823 -0.348 0.000 0.730 442 V HN 0.622 nan 8.190 nan 0.000 0.479 443 F N -0.220 119.900 119.950 0.282 0.000 2.692 443 F HA 0.415 4.942 4.527 -0.000 0.000 0.303 443 F C 1.637 177.515 175.800 0.129 0.000 1.114 443 F CA -0.229 57.876 58.000 0.175 0.000 1.361 443 F CB -0.239 38.852 39.000 0.150 0.000 1.063 443 F HN 0.128 nan 8.300 nan 0.000 0.550 444 L N -0.089 121.290 121.223 0.261 0.000 2.079 444 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 444 L C 2.120 179.083 176.870 0.156 0.000 1.081 444 L CA 1.815 56.773 54.840 0.196 0.000 0.752 444 L CB -0.778 41.377 42.059 0.160 0.000 0.896 444 L HN 0.011 nan 8.230 nan 0.000 0.433 445 S N -0.712 115.082 115.700 0.156 0.000 2.558 445 S HA 0.162 4.632 4.470 -0.000 0.000 0.217 445 S C 0.711 175.369 174.600 0.095 0.000 0.975 445 S CA -0.130 58.144 58.200 0.123 0.000 0.912 445 S CB -0.076 63.205 63.200 0.135 0.000 0.776 445 S HN 0.108 nan 8.310 nan 0.000 0.526 446 L N 3.441 124.717 121.223 0.088 0.000 2.583 446 L HA 0.234 4.574 4.340 -0.000 0.000 0.239 446 L C 1.693 178.578 176.870 0.026 0.000 1.347 446 L CA 0.256 55.112 54.840 0.026 0.000 1.246 446 L CB -1.083 40.947 42.059 -0.048 0.000 1.496 446 L HN 0.383 nan 8.230 nan 0.000 0.413 447 R N -1.013 119.509 120.500 0.037 0.000 2.237 447 R HA -0.051 4.289 4.340 -0.000 0.000 0.219 447 R C 0.583 176.891 176.300 0.014 0.000 1.080 447 R CA 0.888 57.007 56.100 0.031 0.000 0.995 447 R CB 0.064 30.386 30.300 0.038 0.000 0.875 447 R HN 0.304 nan 8.270 nan 0.000 0.462 448 N N 0.586 119.289 118.700 0.005 0.000 2.280 448 N HA 0.036 4.776 4.740 -0.000 0.000 0.192 448 N C -0.164 175.335 175.510 -0.018 0.000 1.109 448 N CA -0.118 52.931 53.050 -0.001 0.000 0.855 448 N CB 0.279 38.769 38.487 0.006 0.000 0.974 448 N HN 0.127 nan 8.380 nan 0.000 0.482 449 L N 1.314 122.513 121.223 -0.040 0.000 2.455 449 L HA 0.137 4.477 4.340 -0.000 0.000 0.272 449 L C 1.059 177.887 176.870 -0.070 0.000 1.174 449 L CA 0.481 55.277 54.840 -0.074 0.000 0.869 449 L CB 0.485 42.467 42.059 -0.129 0.000 1.130 449 L HN 0.004 nan 8.230 nan 0.000 0.474 450 I N 4.246 124.784 120.570 -0.052 0.000 4.032 450 I HA 0.099 4.269 4.170 -0.000 0.000 0.313 450 I C -0.743 175.351 176.117 -0.039 0.000 1.272 450 I CA -0.157 61.124 61.300 -0.032 0.000 1.307 450 I CB 0.346 38.353 38.000 0.011 0.000 1.155 450 I HN 0.497 nan 8.210 nan 0.000 0.431 451 Y N 1.943 122.100 120.300 -0.239 0.000 2.346 451 Y HA 0.661 5.211 4.550 -0.000 0.000 0.332 451 Y C -1.428 174.201 175.900 -0.451 0.000 0.985 451 Y CA -1.328 56.562 58.100 -0.350 0.000 1.112 451 Y CB 1.634 39.829 38.460 -0.441 0.000 1.170 451 Y HN -0.114 nan 8.280 nan 0.000 0.447 452 L N 6.619 127.468 121.223 -0.624 0.000 2.409 452 L HA 0.538 4.878 4.340 -0.000 0.000 0.272 452 L C -1.861 174.688 176.870 -0.535 0.000 0.980 452 L CA -0.311 54.229 54.840 -0.500 0.000 0.826 452 L CB 1.755 43.526 42.059 -0.480 0.000 1.268 452 L HN 0.692 nan 8.230 nan 0.000 0.407 453 D N 4.951 125.166 120.400 -0.308 0.000 2.471 453 D HA 0.361 5.001 4.640 -0.000 0.000 0.245 453 D C 0.104 176.428 176.300 0.040 0.000 1.116 453 D CA -0.194 53.710 54.000 -0.160 0.000 0.853 453 D CB 1.042 41.809 40.800 -0.055 0.000 1.123 453 D HN 0.595 nan 8.370 nan 0.000 0.540 454 I N 0.333 120.940 120.570 0.060 0.000 3.654 454 I HA 0.364 4.534 4.170 -0.000 0.000 0.337 454 I C -0.157 175.984 176.117 0.041 0.000 1.568 454 I CA -0.621 60.768 61.300 0.148 0.000 1.115 454 I CB 0.484 38.619 38.000 0.225 0.000 1.300 454 I HN -0.068 nan 8.210 nan 0.000 0.471 455 S N 1.719 117.415 115.700 -0.007 0.000 2.560 455 S HA 0.108 4.578 4.470 -0.000 0.000 0.284 455 S C 0.482 174.988 174.600 -0.157 0.000 1.327 455 S CA 0.176 58.316 58.200 -0.100 0.000 1.055 455 S CB -0.206 62.993 63.200 -0.002 0.000 0.868 455 S HN 0.578 nan 8.310 nan 0.000 0.506 456 H N 0.191 119.097 119.070 -0.273 0.000 2.677 456 H HA -0.130 4.426 4.556 0.000 0.000 0.321 456 H C 0.917 176.077 175.328 -0.279 0.000 1.171 456 H CA 1.056 56.858 56.048 -0.409 0.000 1.139 456 H CB -2.224 27.025 29.762 -0.856 0.000 1.515 456 H HN 0.821 nan 8.280 nan 0.000 0.423 457 T N -4.218 110.285 114.554 -0.084 0.000 3.129 457 T HA 0.193 4.543 4.350 -0.000 0.000 0.267 457 T C 0.437 175.215 174.700 0.129 0.000 1.018 457 T CA 0.029 62.158 62.100 0.048 0.000 0.903 457 T CB 0.080 68.980 68.868 0.053 0.000 1.067 457 T HN 0.618 nan 8.240 nan 0.000 0.549 458 H N 0.577 119.630 119.070 -0.029 0.000 2.791 458 H HA -0.124 4.432 4.556 -0.000 0.000 0.302 458 H C -0.362 174.936 175.328 -0.049 0.000 1.198 458 H CA 0.968 56.999 56.048 -0.028 0.000 1.145 458 H CB -2.469 27.291 29.762 -0.003 0.000 1.385 458 H HN 0.380 nan 8.280 nan 0.000 0.409 459 T N 0.745 115.285 114.554 -0.023 0.000 2.780 459 T HA 0.334 4.684 4.350 -0.000 0.000 0.294 459 T C 0.715 175.337 174.700 -0.131 0.000 0.949 459 T CA -0.701 61.361 62.100 -0.064 0.000 1.074 459 T CB 0.986 69.809 68.868 -0.075 0.000 0.910 459 T HN 0.290 nan 8.240 nan 0.000 0.501 460 R N 3.663 124.093 120.500 -0.116 0.000 2.215 460 R HA 0.432 4.772 4.340 -0.000 0.000 0.337 460 R C -1.112 175.069 176.300 -0.199 0.000 1.010 460 R CA -0.442 55.570 56.100 -0.147 0.000 0.871 460 R CB -0.029 30.227 30.300 -0.072 0.000 1.134 460 R HN 0.421 nan 8.270 nan 0.000 0.477 461 V N 4.969 124.663 119.914 -0.366 0.000 2.508 461 V HA 0.486 4.606 4.120 -0.000 0.000 0.281 461 V C 0.689 176.696 176.094 -0.145 0.000 1.041 461 V CA 0.862 62.941 62.300 -0.369 0.000 1.016 461 V CB 0.651 32.018 31.823 -0.760 0.000 0.984 461 V HN 1.026 nan 8.190 nan 0.000 0.478 462 A N 4.807 127.586 122.820 -0.068 0.000 1.657 462 A HA 0.335 4.655 4.320 -0.000 0.000 0.202 462 A C 0.415 178.024 177.584 0.043 0.000 1.712 462 A CA -0.133 51.917 52.037 0.021 0.000 1.203 462 A CB -0.229 18.782 19.000 0.020 0.000 1.093 462 A HN 0.624 nan 8.150 nan 0.000 0.507 463 F N 3.018 122.897 119.950 -0.117 0.000 2.593 463 F HA 0.133 4.660 4.527 -0.000 0.000 0.393 463 F C 0.764 176.492 175.800 -0.120 0.000 1.037 463 F CA -0.192 57.735 58.000 -0.122 0.000 1.195 463 F CB 0.278 39.174 39.000 -0.173 0.000 1.034 463 F HN 0.230 nan 8.300 nan 0.000 0.552 464 N N 3.766 122.099 118.700 -0.612 0.000 2.396 464 N HA -0.009 4.731 4.740 -0.000 0.000 0.180 464 N C 1.781 176.812 175.510 -0.798 0.000 1.028 464 N CA 1.136 53.850 53.050 -0.560 0.000 0.893 464 N CB -0.149 38.157 38.487 -0.302 0.000 0.967 464 N HN 0.766 nan 8.380 nan 0.000 0.440 465 G N 0.027 107.860 108.800 -1.612 0.000 3.233 465 G HA2 0.023 3.983 3.960 -0.000 0.000 0.227 465 G HA3 0.023 3.983 3.960 -0.000 0.000 0.227 465 G C 1.295 175.893 174.900 -0.503 0.000 1.175 465 G CA -0.398 44.111 45.100 -0.984 0.000 0.781 465 G HN 0.288 nan 8.290 nan 0.000 0.542 466 I N -0.807 119.434 120.570 -0.549 0.000 2.185 466 I HA -0.201 3.969 4.170 -0.000 0.000 0.246 466 I C 1.428 177.467 176.117 -0.129 0.000 1.088 466 I CA 1.483 62.603 61.300 -0.301 0.000 1.347 466 I CB 0.061 37.692 38.000 -0.615 0.000 1.041 466 I HN 0.267 nan 8.210 nan 0.000 0.415 467 F N 0.630 120.639 119.950 0.098 0.000 2.639 467 F HA 0.238 4.765 4.527 -0.000 0.000 0.300 467 F C 0.744 176.616 175.800 0.121 0.000 1.109 467 F CA -0.708 57.376 58.000 0.140 0.000 1.335 467 F CB -0.504 38.526 39.000 0.050 0.000 1.014 467 F HN -0.014 nan 8.300 nan 0.000 0.537 468 N N 0.825 119.661 118.700 0.226 0.000 2.412 468 N HA 0.198 4.938 4.740 -0.000 0.000 0.254 468 N C 1.149 176.785 175.510 0.210 0.000 1.232 468 N CA 0.953 54.108 53.050 0.174 0.000 0.880 468 N CB 0.494 39.062 38.487 0.136 0.000 1.076 468 N HN 0.455 nan 8.380 nan 0.000 0.458 469 G N 1.559 110.453 108.800 0.158 0.000 2.213 469 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.226 469 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.226 469 G C 0.326 175.296 174.900 0.116 0.000 0.992 469 G CA -0.415 44.770 45.100 0.141 0.000 0.632 469 G HN 0.486 nan 8.290 nan 0.000 0.511 470 L N 2.562 123.856 121.223 0.118 0.000 2.934 470 L HA 0.275 4.615 4.340 -0.000 0.000 0.233 470 L C 1.954 178.839 176.870 0.026 0.000 1.358 470 L CA 0.187 55.057 54.840 0.050 0.000 1.233 470 L CB 0.264 42.324 42.059 0.003 0.000 1.594 470 L HN 0.187 nan 8.230 nan 0.000 0.439 471 S N -0.736 114.987 115.700 0.038 0.000 2.400 471 S HA -0.161 4.309 4.470 -0.000 0.000 0.232 471 S C 1.924 176.531 174.600 0.012 0.000 1.025 471 S CA 1.499 59.718 58.200 0.031 0.000 0.993 471 S CB 0.044 63.266 63.200 0.036 0.000 0.808 471 S HN 0.541 nan 8.310 nan 0.000 0.478 472 S N 0.610 116.311 115.700 0.000 0.000 2.575 472 S HA 0.268 4.738 4.470 -0.000 0.000 0.215 472 S C 0.341 174.923 174.600 -0.029 0.000 0.966 472 S CA -0.326 57.869 58.200 -0.009 0.000 0.911 472 S CB -0.151 63.046 63.200 -0.005 0.000 0.780 472 S HN 0.281 nan 8.310 nan 0.000 0.514 473 L N 2.641 123.833 121.223 -0.052 0.000 2.540 473 L HA 0.033 4.373 4.340 -0.000 0.000 0.276 473 L C 0.936 177.758 176.870 -0.082 0.000 1.212 473 L CA 1.063 55.846 54.840 -0.096 0.000 0.893 473 L CB 0.370 42.336 42.059 -0.155 0.000 1.138 473 L HN 0.121 nan 8.230 nan 0.000 0.491 474 E N 2.569 122.720 120.200 -0.080 0.000 2.364 474 E HA 0.173 4.523 4.350 -0.000 0.000 0.203 474 E C -0.687 175.874 176.600 -0.065 0.000 0.888 474 E CA 0.067 56.435 56.400 -0.053 0.000 0.989 474 E CB 0.789 30.479 29.700 -0.017 0.000 0.985 474 E HN 0.389 nan 8.360 nan 0.000 0.499 475 V N 2.474 122.309 119.914 -0.132 0.000 2.444 475 V HA 0.315 4.435 4.120 -0.000 0.000 0.294 475 V C -1.199 174.676 176.094 -0.365 0.000 1.022 475 V CA -0.792 61.389 62.300 -0.198 0.000 0.850 475 V CB 1.869 33.522 31.823 -0.284 0.000 0.992 475 V HN 0.067 nan 8.190 nan 0.000 0.426 476 L N 6.073 127.141 121.223 -0.259 0.000 2.372 476 L HA 0.611 4.951 4.340 -0.000 0.000 0.273 476 L C -0.468 176.284 176.870 -0.197 0.000 0.989 476 L CA -0.276 54.365 54.840 -0.332 0.000 0.841 476 L CB 1.390 43.221 42.059 -0.380 0.000 1.225 476 L HN 0.554 nan 8.230 nan 0.000 0.414 477 K N 6.957 127.218 120.400 -0.232 0.000 2.339 477 K HA 0.536 4.856 4.320 -0.000 0.000 0.264 477 K C -0.086 176.479 176.600 -0.059 0.000 0.986 477 K CA -0.268 55.963 56.287 -0.093 0.000 0.866 477 K CB 1.431 33.872 32.500 -0.098 0.000 1.103 477 K HN 0.782 nan 8.250 nan 0.000 0.441 478 M N 0.183 119.781 119.600 -0.003 0.000 3.262 478 M HA 0.382 4.862 4.480 -0.000 0.000 0.450 478 M C -0.319 175.966 176.300 -0.027 0.000 1.524 478 M CA -0.621 54.695 55.300 0.027 0.000 0.770 478 M CB 1.083 33.776 32.600 0.155 0.000 1.459 478 M HN 0.354 nan 8.290 nan 0.000 0.517 479 A N 0.897 123.667 122.820 -0.083 0.000 2.466 479 A HA 0.571 4.891 4.320 -0.000 0.000 0.238 479 A C 1.480 178.757 177.584 -0.512 0.000 1.074 479 A CA 0.864 52.794 52.037 -0.179 0.000 0.774 479 A CB -0.467 18.477 19.000 -0.092 0.000 1.015 479 A HN 1.536 nan 8.150 nan 0.000 0.498 480 G N 0.947 109.436 108.800 -0.519 0.000 2.143 480 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 480 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 480 G C 0.192 174.834 174.900 -0.430 0.000 0.991 480 G CA 0.444 45.111 45.100 -0.721 0.000 0.689 480 G HN 0.821 nan 8.290 nan 0.000 0.522 481 N N -0.257 118.284 118.700 -0.266 0.000 2.909 481 N HA 0.791 5.531 4.740 -0.000 0.000 0.326 481 N C 0.394 175.829 175.510 -0.124 0.000 1.368 481 N CA 0.405 53.333 53.050 -0.203 0.000 0.797 481 N CB 1.326 39.687 38.487 -0.210 0.000 1.150 481 N HN 0.877 nan 8.380 nan 0.000 0.550 482 S N -0.999 114.599 115.700 -0.170 0.000 2.611 482 S HA 0.694 5.164 4.470 -0.000 0.000 0.268 482 S C -1.765 172.705 174.600 -0.215 0.000 1.156 482 S CA -0.823 57.350 58.200 -0.045 0.000 0.817 482 S CB 0.966 64.164 63.200 -0.004 0.000 1.122 482 S HN 0.287 nan 8.310 nan 0.000 0.466 483 F N 1.124 121.070 119.950 -0.006 0.000 2.551 483 F HA 0.534 5.061 4.527 -0.000 0.000 0.316 483 F C 0.371 176.189 175.800 0.031 0.000 1.089 483 F CA -0.605 57.400 58.000 0.009 0.000 0.915 483 F CB 2.115 41.122 39.000 0.012 0.000 1.186 483 F HN 0.816 nan 8.300 nan 0.000 0.456 484 Q N 2.629 122.542 119.800 0.188 0.000 2.263 484 Q HA 0.029 4.369 4.340 -0.000 0.000 0.289 484 Q C 0.119 176.231 176.000 0.188 0.000 1.061 484 Q CA 0.796 56.684 55.803 0.141 0.000 0.927 484 Q CB 0.203 29.000 28.738 0.098 0.000 1.154 484 Q HN 0.828 nan 8.270 nan 0.000 0.378 485 E N 2.783 123.060 120.200 0.128 0.000 3.286 485 E HA -0.365 3.985 4.350 -0.000 0.000 0.292 485 E C -0.617 176.078 176.600 0.158 0.000 0.928 485 E CA 0.714 57.183 56.400 0.114 0.000 0.982 485 E CB -1.754 27.989 29.700 0.073 0.000 1.500 485 E HN 1.069 nan 8.360 nan 0.000 0.441 486 N N -1.153 117.651 118.700 0.173 0.000 2.708 486 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 486 N C -0.664 174.930 175.510 0.140 0.000 1.097 486 N CA 1.054 54.188 53.050 0.139 0.000 0.710 486 N CB -0.889 37.641 38.487 0.071 0.000 1.032 486 N HN 0.396 nan 8.380 nan 0.000 0.551 487 F N 0.771 120.730 119.950 0.016 0.000 2.467 487 F HA 0.524 5.051 4.527 -0.000 0.000 0.336 487 F C -0.423 175.290 175.800 -0.145 0.000 1.123 487 F CA -1.319 56.659 58.000 -0.037 0.000 0.964 487 F CB 0.855 39.859 39.000 0.006 0.000 1.136 487 F HN -0.060 nan 8.300 nan 0.000 0.447 488 L N 9.673 130.338 121.223 -0.930 0.000 2.295 488 L HA 0.527 4.867 4.340 -0.000 0.000 0.288 488 L C -2.489 173.704 176.870 -1.128 0.000 1.079 488 L CA -1.938 52.325 54.840 -0.961 0.000 0.830 488 L CB -0.056 41.592 42.059 -0.685 0.000 1.200 488 L HN 0.394 nan 8.230 nan 0.000 0.438 489 P HA 0.246 nan 4.420 nan 0.000 0.284 489 P C -1.160 175.934 177.300 -0.344 0.000 1.292 489 P CA -0.534 62.324 63.100 -0.402 0.000 0.800 489 P CB 0.546 32.223 31.700 -0.038 0.000 1.188 490 D N 0.081 120.357 120.400 -0.206 0.000 2.545 490 D HA 0.082 4.722 4.640 -0.000 0.000 0.227 490 D C 0.857 177.017 176.300 -0.234 0.000 1.150 490 D CA 0.305 54.191 54.000 -0.189 0.000 1.046 490 D CB -0.974 39.774 40.800 -0.087 0.000 1.098 490 D HN 0.309 nan 8.370 nan 0.000 0.502 491 I N -3.038 117.264 120.570 -0.447 0.000 3.956 491 I HA 0.189 4.359 4.170 -0.000 0.000 0.333 491 I C 0.267 176.171 176.117 -0.354 0.000 1.302 491 I CA -0.013 61.010 61.300 -0.462 0.000 1.122 491 I CB 0.083 37.762 38.000 -0.534 0.000 1.013 491 I HN -0.081 nan 8.210 nan 0.000 0.405 492 F N 0.542 120.543 119.950 0.086 0.000 2.653 492 F HA 0.257 4.784 4.527 -0.000 0.000 0.304 492 F C 2.309 178.142 175.800 0.055 0.000 1.092 492 F CA -0.059 57.995 58.000 0.090 0.000 1.279 492 F CB -0.443 38.610 39.000 0.089 0.000 1.044 492 F HN -0.038 nan 8.300 nan 0.000 0.564 493 T N 0.051 114.693 114.554 0.147 0.000 2.803 493 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 493 T C 1.645 176.402 174.700 0.095 0.000 1.052 493 T CA 1.901 64.063 62.100 0.102 0.000 1.136 493 T CB -0.087 68.810 68.868 0.048 0.000 0.864 493 T HN 0.395 nan 8.240 nan 0.000 0.467 494 E N 0.185 120.445 120.200 0.099 0.000 2.435 494 E HA 0.109 4.459 4.350 -0.000 0.000 0.195 494 E C 0.616 177.266 176.600 0.083 0.000 1.029 494 E CA 0.205 56.655 56.400 0.085 0.000 0.865 494 E CB 0.081 29.833 29.700 0.086 0.000 0.833 494 E HN 0.503 nan 8.360 nan 0.000 0.510 495 L N 1.439 122.725 121.223 0.105 0.000 2.796 495 L HA 0.277 4.617 4.340 -0.000 0.000 0.235 495 L C 1.355 178.253 176.870 0.047 0.000 1.344 495 L CA -0.179 54.703 54.840 0.069 0.000 1.245 495 L CB -0.118 41.986 42.059 0.076 0.000 1.556 495 L HN -0.063 nan 8.230 nan 0.000 0.423 496 R N 0.079 120.605 120.500 0.044 0.000 2.193 496 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 496 R C 1.119 177.430 176.300 0.018 0.000 1.110 496 R CA 0.829 56.951 56.100 0.036 0.000 0.988 496 R CB -0.000 30.322 30.300 0.037 0.000 0.871 496 R HN 0.459 nan 8.270 nan 0.000 0.458 497 N N 0.058 118.762 118.700 0.007 0.000 2.336 497 N HA 0.060 4.800 4.740 -0.000 0.000 0.189 497 N C -0.194 175.305 175.510 -0.018 0.000 1.113 497 N CA 0.142 53.190 53.050 -0.003 0.000 0.858 497 N CB 0.276 38.761 38.487 -0.003 0.000 0.970 497 N HN 0.104 nan 8.380 nan 0.000 0.471 498 L N 1.105 122.309 121.223 -0.033 0.000 2.559 498 L HA -0.033 4.307 4.340 -0.000 0.000 0.274 498 L C 1.452 178.293 176.870 -0.049 0.000 1.205 498 L CA 0.588 55.391 54.840 -0.062 0.000 0.907 498 L CB 0.645 42.639 42.059 -0.107 0.000 1.153 498 L HN 0.252 nan 8.230 nan 0.000 0.490 499 T N 0.235 114.774 114.554 -0.025 0.000 2.971 499 T HA 0.148 4.498 4.350 -0.000 0.000 0.252 499 T C -0.041 174.682 174.700 0.037 0.000 1.022 499 T CA -0.132 61.970 62.100 0.003 0.000 0.980 499 T CB 0.240 69.127 68.868 0.033 0.000 1.044 499 T HN 0.254 nan 8.240 nan 0.000 0.501 500 F N 1.283 121.143 119.950 -0.150 0.000 2.573 500 F HA 0.684 5.211 4.527 -0.000 0.000 0.316 500 F C -2.030 173.636 175.800 -0.224 0.000 1.148 500 F CA -1.568 56.331 58.000 -0.168 0.000 0.940 500 F CB 2.069 40.988 39.000 -0.134 0.000 1.214 500 F HN 0.047 nan 8.300 nan 0.000 0.448 501 L N 6.373 127.296 121.223 -0.500 0.000 2.441 501 L HA 0.493 4.833 4.340 -0.000 0.000 0.270 501 L C -1.743 174.867 176.870 -0.433 0.000 0.973 501 L CA -0.237 54.369 54.840 -0.391 0.000 0.842 501 L CB 1.443 43.226 42.059 -0.459 0.000 1.239 501 L HN 0.558 nan 8.230 nan 0.000 0.406 502 D N 4.895 125.171 120.400 -0.207 0.000 2.427 502 D HA 0.353 4.993 4.640 -0.000 0.000 0.226 502 D C -0.152 176.123 176.300 -0.041 0.000 1.076 502 D CA 0.037 53.960 54.000 -0.128 0.000 0.849 502 D CB 1.000 41.828 40.800 0.048 0.000 1.052 502 D HN 0.660 nan 8.370 nan 0.000 0.515 503 L N 2.633 123.831 121.223 -0.042 0.000 3.066 503 L HA 0.156 4.496 4.340 -0.000 0.000 0.265 503 L C 0.690 177.586 176.870 0.044 0.000 1.232 503 L CA -0.320 54.563 54.840 0.071 0.000 1.031 503 L CB 0.302 42.439 42.059 0.131 0.000 1.379 503 L HN 0.288 nan 8.230 nan 0.000 0.563 504 S N -0.624 115.071 115.700 -0.007 0.000 2.579 504 S HA 0.150 4.620 4.470 -0.000 0.000 0.275 504 S C 0.562 175.151 174.600 -0.017 0.000 1.345 504 S CA -0.332 57.867 58.200 -0.002 0.000 1.031 504 S CB 0.960 64.164 63.200 0.007 0.000 0.892 504 S HN 0.456 nan 8.310 nan 0.000 0.529 505 Q N -0.711 119.074 119.800 -0.026 0.000 2.475 505 Q HA -0.183 4.157 4.340 -0.000 0.000 0.280 505 Q C -0.096 175.842 176.000 -0.104 0.000 1.234 505 Q CA 0.680 56.402 55.803 -0.136 0.000 0.873 505 Q CB -2.641 26.000 28.738 -0.162 0.000 1.256 505 Q HN 0.780 nan 8.270 nan 0.000 0.475 506 C N -0.246 119.045 119.300 -0.015 0.000 2.884 506 C HA 0.100 4.560 4.460 -0.000 0.000 0.287 506 C C 1.147 176.186 174.990 0.082 0.000 1.310 506 C CA 0.280 59.346 59.018 0.080 0.000 1.725 506 C CB -0.317 27.600 27.740 0.295 0.000 2.060 506 C HN 0.695 nan 8.230 nan 0.000 0.618 507 Q N -0.480 119.311 119.800 -0.016 0.000 2.468 507 Q HA -0.221 4.119 4.340 -0.000 0.000 0.256 507 Q C -0.168 175.779 176.000 -0.089 0.000 0.984 507 Q CA 0.512 56.297 55.803 -0.029 0.000 1.110 507 Q CB -1.528 27.220 28.738 0.016 0.000 1.527 507 Q HN 0.679 nan 8.270 nan 0.000 0.535 508 L N 0.512 121.608 121.223 -0.211 0.000 2.456 508 L HA -0.011 4.329 4.340 -0.000 0.000 0.272 508 L C 1.442 177.849 176.870 -0.771 0.000 1.189 508 L CA 0.878 55.465 54.840 -0.422 0.000 0.846 508 L CB 0.414 42.206 42.059 -0.445 0.000 1.111 508 L HN 0.197 nan 8.230 nan 0.000 0.475 509 E N 0.616 120.550 120.200 -0.444 0.000 2.467 509 E HA 0.134 4.484 4.350 -0.000 0.000 0.213 509 E C -0.375 176.295 176.600 0.117 0.000 0.823 509 E CA -0.049 56.209 56.400 -0.236 0.000 1.233 509 E CB 0.983 30.698 29.700 0.026 0.000 1.233 509 E HN 0.501 nan 8.360 nan 0.000 0.585 510 Q N 0.704 120.628 119.800 0.207 0.000 2.379 510 Q HA 0.465 4.805 4.340 -0.000 0.000 0.278 510 Q C -1.201 174.958 176.000 0.264 0.000 1.068 510 Q CA -0.827 55.199 55.803 0.371 0.000 0.816 510 Q CB 2.689 31.657 28.738 0.383 0.000 1.387 510 Q HN 0.033 nan 8.270 nan 0.000 0.413 511 L N -1.590 119.740 121.223 0.180 0.000 2.388 511 L HA 0.698 5.038 4.340 -0.000 0.000 0.264 511 L C 0.170 176.968 176.870 -0.120 0.000 0.998 511 L CA -0.863 53.873 54.840 -0.173 0.000 0.817 511 L CB 1.551 43.525 42.059 -0.142 0.000 1.338 511 L HN 0.467 nan 8.230 nan 0.000 0.414 512 S N 2.087 117.546 115.700 -0.400 0.000 2.537 512 S HA 0.262 4.732 4.470 -0.000 0.000 0.286 512 S C -1.164 173.393 174.600 -0.071 0.000 1.299 512 S CA -0.542 57.621 58.200 -0.062 0.000 1.067 512 S CB 0.380 63.504 63.200 -0.127 0.000 0.864 512 S HN 0.727 nan 8.310 nan 0.000 0.494 513 P HA -0.053 nan 4.420 nan 0.000 0.225 513 P C 0.903 178.226 177.300 0.038 0.000 1.148 513 P CA 1.143 64.337 63.100 0.157 0.000 0.779 513 P CB -0.384 31.475 31.700 0.265 0.000 0.780 514 T N -4.902 109.640 114.554 -0.019 0.000 3.092 514 T HA 0.503 4.853 4.350 -0.000 0.000 0.258 514 T C 1.735 176.371 174.700 -0.107 0.000 1.031 514 T CA 0.297 62.380 62.100 -0.029 0.000 0.925 514 T CB -0.342 68.529 68.868 0.005 0.000 1.036 514 T HN -0.044 nan 8.240 nan 0.000 0.544 515 A N 1.571 124.220 122.820 -0.284 0.000 1.948 515 A HA 0.068 4.388 4.320 -0.000 0.000 0.220 515 A C 1.472 178.869 177.584 -0.313 0.000 1.177 515 A CA 1.159 52.929 52.037 -0.446 0.000 0.636 515 A CB -0.924 17.561 19.000 -0.859 0.000 0.815 515 A HN 0.661 nan 8.150 nan 0.000 0.449 516 F N -1.029 118.960 119.950 0.065 0.000 2.653 516 F HA 0.194 4.721 4.527 -0.000 0.000 0.304 516 F C 1.717 177.543 175.800 0.043 0.000 1.092 516 F CA -0.311 57.721 58.000 0.053 0.000 1.279 516 F CB -0.164 38.847 39.000 0.017 0.000 1.044 516 F HN 0.195 nan 8.300 nan 0.000 0.564 517 N N 0.437 119.228 118.700 0.152 0.000 2.272 517 N HA -0.175 4.565 4.740 -0.000 0.000 0.185 517 N C 1.890 177.463 175.510 0.105 0.000 1.014 517 N CA 1.445 54.563 53.050 0.114 0.000 0.870 517 N CB -0.043 38.487 38.487 0.072 0.000 0.975 517 N HN 0.237 nan 8.380 nan 0.000 0.433 518 S N 0.085 115.851 115.700 0.110 0.000 2.575 518 S HA 0.135 4.605 4.470 -0.000 0.000 0.215 518 S C 0.782 175.433 174.600 0.085 0.000 0.966 518 S CA -0.222 58.032 58.200 0.090 0.000 0.911 518 S CB -0.087 63.165 63.200 0.087 0.000 0.780 518 S HN 0.158 nan 8.310 nan 0.000 0.514 519 L N 3.266 124.549 121.223 0.099 0.000 2.648 519 L HA 0.293 4.633 4.340 -0.000 0.000 0.238 519 L C 1.450 178.342 176.870 0.037 0.000 1.316 519 L CA -0.331 54.545 54.840 0.060 0.000 1.241 519 L CB -0.316 41.773 42.059 0.051 0.000 1.499 519 L HN 0.384 nan 8.230 nan 0.000 0.411 520 S N -2.441 113.282 115.700 0.038 0.000 2.474 520 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 520 S C 1.565 176.174 174.600 0.016 0.000 0.997 520 S CA 0.698 58.917 58.200 0.032 0.000 0.949 520 S CB 0.032 63.253 63.200 0.034 0.000 0.766 520 S HN 0.486 nan 8.310 nan 0.000 0.517 521 S N 0.710 116.413 115.700 0.005 0.000 2.540 521 S HA 0.368 4.838 4.470 -0.000 0.000 0.218 521 S C 0.170 174.757 174.600 -0.021 0.000 0.977 521 S CA -0.552 57.646 58.200 -0.003 0.000 0.918 521 S CB -0.164 63.036 63.200 -0.000 0.000 0.806 521 S HN 0.448 nan 8.310 nan 0.000 0.496 522 L N 2.631 123.830 121.223 -0.040 0.000 2.513 522 L HA 0.108 4.448 4.340 -0.000 0.000 0.272 522 L C 0.894 177.712 176.870 -0.085 0.000 1.187 522 L CA 0.959 55.748 54.840 -0.085 0.000 0.895 522 L CB 0.518 42.496 42.059 -0.135 0.000 1.147 522 L HN 0.120 nan 8.230 nan 0.000 0.483 523 Q N 2.985 122.733 119.800 -0.086 0.000 2.423 523 Q HA 0.271 4.611 4.340 -0.000 0.000 0.231 523 Q C -0.683 175.241 176.000 -0.127 0.000 0.894 523 Q CA 0.163 55.925 55.803 -0.068 0.000 0.938 523 Q CB 0.923 29.656 28.738 -0.009 0.000 1.079 523 Q HN 0.505 nan 8.270 nan 0.000 0.552 524 V N 1.865 121.648 119.914 -0.219 0.000 2.483 524 V HA 0.354 4.474 4.120 -0.000 0.000 0.297 524 V C -1.380 174.378 176.094 -0.561 0.000 1.027 524 V CA -0.770 61.300 62.300 -0.384 0.000 0.855 524 V CB 1.985 33.522 31.823 -0.476 0.000 0.995 524 V HN 0.093 nan 8.190 nan 0.000 0.424 525 L N 4.876 125.794 121.223 -0.509 0.000 2.343 525 L HA 0.649 4.989 4.340 -0.000 0.000 0.278 525 L C -0.577 175.987 176.870 -0.511 0.000 0.996 525 L CA -0.101 54.407 54.840 -0.553 0.000 0.831 525 L CB 1.600 43.304 42.059 -0.592 0.000 1.232 525 L HN 0.610 nan 8.230 nan 0.000 0.413 526 N N 5.789 124.202 118.700 -0.477 0.000 2.469 526 N HA 0.332 5.072 4.740 -0.000 0.000 0.253 526 N C -0.255 175.071 175.510 -0.307 0.000 0.970 526 N CA -0.310 52.522 53.050 -0.363 0.000 0.940 526 N CB 0.962 39.276 38.487 -0.287 0.000 1.128 526 N HN 0.580 nan 8.380 nan 0.000 0.503 527 M N 0.547 119.906 119.600 -0.401 0.000 2.484 527 M HA 0.145 4.625 4.480 -0.000 0.000 0.307 527 M C 0.658 176.840 176.300 -0.196 0.000 1.149 527 M CA -0.230 54.847 55.300 -0.371 0.000 0.972 527 M CB -1.005 31.042 32.600 -0.921 0.000 1.400 527 M HN 0.321 nan 8.290 nan 0.000 0.508 528 S N 0.588 116.210 115.700 -0.131 0.000 2.560 528 S HA 0.045 4.515 4.470 -0.000 0.000 0.284 528 S C 0.773 175.430 174.600 0.095 0.000 1.327 528 S CA 0.677 58.865 58.200 -0.020 0.000 1.055 528 S CB -0.079 63.114 63.200 -0.012 0.000 0.868 528 S HN 0.749 nan 8.310 nan 0.000 0.506 529 H N 1.824 120.871 119.070 -0.039 0.000 2.791 529 H HA -0.164 4.392 4.556 -0.000 0.000 0.302 529 H C 0.161 175.453 175.328 -0.060 0.000 1.198 529 H CA 0.535 56.550 56.048 -0.055 0.000 1.145 529 H CB -1.264 28.485 29.762 -0.021 0.000 1.385 529 H HN 0.597 nan 8.280 nan 0.000 0.409 530 N N 0.005 118.755 118.700 0.083 0.000 2.547 530 N HA 0.158 4.898 4.740 -0.000 0.000 0.301 530 N C 0.460 175.883 175.510 -0.145 0.000 1.328 530 N CA -0.382 52.637 53.050 -0.052 0.000 0.932 530 N CB 0.329 38.752 38.487 -0.107 0.000 1.104 530 N HN 0.298 nan 8.380 nan 0.000 0.548 531 N N 0.082 118.611 118.700 -0.284 0.000 2.497 531 N HA 0.232 4.972 4.740 -0.000 0.000 0.284 531 N C -1.128 174.307 175.510 -0.125 0.000 1.459 531 N CA -0.161 52.797 53.050 -0.154 0.000 0.899 531 N CB 0.043 38.576 38.487 0.077 0.000 1.316 531 N HN 0.281 nan 8.380 nan 0.000 0.500 532 F N -0.194 119.760 119.950 0.007 0.000 2.495 532 F HA 0.153 4.680 4.527 -0.000 0.000 0.365 532 F C 1.244 176.997 175.800 -0.078 0.000 1.090 532 F CA -0.260 57.785 58.000 0.075 0.000 1.235 532 F CB 0.492 39.572 39.000 0.133 0.000 1.119 532 F HN 0.040 nan 8.300 nan 0.000 0.562 533 F N 0.526 120.607 119.950 0.218 0.000 2.749 533 F HA 0.102 4.629 4.527 0.000 0.000 0.300 533 F C 0.962 176.743 175.800 -0.030 0.000 1.103 533 F CA -0.022 58.029 58.000 0.086 0.000 1.342 533 F CB 0.083 39.116 39.000 0.055 0.000 1.098 533 F HN 0.357 nan 8.300 nan 0.000 0.586 534 S N -0.127 115.655 115.700 0.137 0.000 2.595 534 S HA 0.755 5.225 4.470 -0.000 0.000 0.281 534 S C -1.394 173.134 174.600 -0.119 0.000 1.117 534 S CA -0.800 57.368 58.200 -0.054 0.000 0.873 534 S CB 2.524 65.715 63.200 -0.016 0.000 1.108 534 S HN -0.002 nan 8.310 nan 0.000 0.477 535 L N 1.029 122.158 121.223 -0.157 0.000 2.410 535 L HA 0.809 5.149 4.340 -0.000 0.000 0.270 535 L C -1.745 175.054 176.870 -0.118 0.000 0.983 535 L CA 0.026 54.769 54.840 -0.162 0.000 0.822 535 L CB 1.826 43.880 42.059 -0.009 0.000 1.285 535 L HN 0.944 nan 8.230 nan 0.000 0.409 536 D N 0.445 120.757 120.400 -0.147 0.000 2.523 536 D HA 0.566 5.206 4.640 -0.000 0.000 0.236 536 D C 0.318 176.519 176.300 -0.164 0.000 1.094 536 D CA 0.219 54.085 54.000 -0.224 0.000 0.942 536 D CB 2.266 42.873 40.800 -0.321 0.000 1.447 536 D HN 0.669 nan 8.370 nan 0.000 0.479 537 T N -2.216 112.192 114.554 -0.243 0.000 3.037 537 T HA -0.022 4.328 4.350 -0.000 0.000 0.252 537 T C 1.840 176.506 174.700 -0.057 0.000 1.073 537 T CA 0.047 62.030 62.100 -0.196 0.000 1.091 537 T CB -0.347 68.307 68.868 -0.357 0.000 0.935 537 T HN 0.471 nan 8.240 nan 0.000 0.488 538 F N 3.319 123.216 119.950 -0.087 0.000 2.161 538 F HA 0.169 4.696 4.527 0.000 0.000 0.300 538 F C -0.999 174.724 175.800 -0.129 0.000 1.089 538 F CA 0.167 58.117 58.000 -0.085 0.000 1.282 538 F CB -2.243 36.705 39.000 -0.086 0.000 1.010 538 F HN 0.164 nan 8.300 nan 0.000 0.485 539 P HA -0.087 nan 4.420 nan 0.000 0.233 539 P C 0.343 177.349 177.300 -0.489 0.000 1.167 539 P CA 1.389 64.104 63.100 -0.642 0.000 0.770 539 P CB -0.438 30.677 31.700 -0.974 0.000 0.837 540 Y N -1.479 118.884 120.300 0.105 0.000 2.507 540 Y HA 0.246 4.796 4.550 0.000 0.000 0.254 540 Y C 2.021 178.001 175.900 0.133 0.000 1.171 540 Y CA -0.425 57.759 58.100 0.140 0.000 1.238 540 Y CB -0.054 38.524 38.460 0.198 0.000 1.148 540 Y HN -0.263 nan 8.280 nan 0.000 0.525 541 K N 0.218 120.728 120.400 0.183 0.000 2.103 541 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 541 K C 1.442 178.123 176.600 0.135 0.000 1.048 541 K CA 1.138 57.518 56.287 0.155 0.000 0.930 541 K CB -0.639 31.936 32.500 0.124 0.000 0.716 541 K HN 0.356 nan 8.250 nan 0.000 0.444 542 C N 0.523 119.901 119.300 0.129 0.000 2.626 542 C HA 0.178 4.638 4.460 -0.000 0.000 0.266 542 C C 1.310 176.362 174.990 0.102 0.000 1.317 542 C CA -0.435 58.646 59.018 0.106 0.000 1.716 542 C CB -0.778 27.021 27.740 0.099 0.000 1.819 542 C HN 0.226 nan 8.230 nan 0.000 0.578 543 L N 2.516 123.813 121.223 0.124 0.000 2.480 543 L HA 0.139 4.479 4.340 -0.000 0.000 0.243 543 L C 0.723 177.633 176.870 0.066 0.000 1.315 543 L CA 0.044 54.938 54.840 0.090 0.000 1.231 543 L CB -0.600 41.516 42.059 0.094 0.000 1.444 543 L HN 0.380 nan 8.230 nan 0.000 0.409 544 N N -0.354 118.379 118.700 0.056 0.000 2.461 544 N HA -0.022 4.718 4.740 -0.000 0.000 0.188 544 N C 1.028 176.552 175.510 0.024 0.000 1.134 544 N CA 0.342 53.419 53.050 0.045 0.000 0.878 544 N CB 0.601 39.115 38.487 0.045 0.000 0.972 544 N HN 0.353 nan 8.380 nan 0.000 0.456 545 S N 0.191 115.899 115.700 0.013 0.000 2.539 545 S HA 0.152 4.622 4.470 -0.000 0.000 0.221 545 S C 0.443 175.032 174.600 -0.018 0.000 0.987 545 S CA -0.506 57.694 58.200 -0.001 0.000 0.929 545 S CB 0.638 63.836 63.200 -0.003 0.000 0.832 545 S HN 0.162 nan 8.310 nan 0.000 0.492 546 L N 2.702 123.910 121.223 -0.025 0.000 2.462 546 L HA 0.159 4.499 4.340 -0.000 0.000 0.272 546 L C 0.883 177.719 176.870 -0.058 0.000 1.166 546 L CA 0.926 55.728 54.840 -0.064 0.000 0.880 546 L CB 0.522 42.531 42.059 -0.084 0.000 1.142 546 L HN 0.107 nan 8.230 nan 0.000 0.473 547 Q N 2.968 122.734 119.800 -0.058 0.000 2.471 547 Q HA 0.278 4.618 4.340 -0.000 0.000 0.241 547 Q C -0.707 175.299 176.000 0.010 0.000 0.886 547 Q CA 0.155 55.949 55.803 -0.015 0.000 0.953 547 Q CB 1.021 29.778 28.738 0.032 0.000 1.108 547 Q HN 0.497 nan 8.270 nan 0.000 0.575 548 V N 1.761 121.645 119.914 -0.050 0.000 2.483 548 V HA 0.380 4.500 4.120 -0.000 0.000 0.297 548 V C -1.002 174.966 176.094 -0.209 0.000 1.027 548 V CA -0.524 61.739 62.300 -0.062 0.000 0.855 548 V CB 2.264 34.045 31.823 -0.070 0.000 0.995 548 V HN 0.182 nan 8.190 nan 0.000 0.424 549 L N 3.876 124.954 121.223 -0.241 0.000 2.343 549 L HA 0.593 4.933 4.340 -0.000 0.000 0.278 549 L C -1.173 175.541 176.870 -0.261 0.000 0.996 549 L CA -0.307 54.324 54.840 -0.348 0.000 0.831 549 L CB 1.727 43.489 42.059 -0.494 0.000 1.232 549 L HN 0.640 nan 8.230 nan 0.000 0.413 550 D N 3.654 123.878 120.400 -0.294 0.000 2.412 550 D HA 0.145 4.785 4.640 -0.000 0.000 0.224 550 D C -0.429 175.714 176.300 -0.262 0.000 1.093 550 D CA 0.110 53.984 54.000 -0.210 0.000 0.850 550 D CB 0.692 41.377 40.800 -0.192 0.000 1.046 550 D HN 0.394 nan 8.370 nan 0.000 0.507 551 Y N 1.498 121.732 120.300 -0.109 0.000 2.660 551 Y HA 0.081 4.631 4.550 -0.000 0.000 0.254 551 Y C 1.115 176.993 175.900 -0.038 0.000 1.176 551 Y CA -0.484 57.579 58.100 -0.062 0.000 1.195 551 Y CB 0.453 38.877 38.460 -0.059 0.000 1.190 551 Y HN 0.278 nan 8.280 nan 0.000 0.535 552 S N -0.275 115.462 115.700 0.063 0.000 2.569 552 S HA 0.032 4.502 4.470 -0.000 0.000 0.274 552 S C 0.709 175.294 174.600 -0.025 0.000 1.353 552 S CA -0.127 58.085 58.200 0.020 0.000 1.023 552 S CB 0.693 63.890 63.200 -0.005 0.000 0.876 552 S HN 0.514 nan 8.310 nan 0.000 0.540 553 L N -0.747 120.421 121.223 -0.093 0.000 4.040 553 L HA -0.223 4.117 4.340 -0.000 0.000 0.410 553 L C 0.519 177.234 176.870 -0.258 0.000 1.187 553 L CA 0.395 55.109 54.840 -0.210 0.000 0.956 553 L CB -2.188 39.685 42.059 -0.311 0.000 2.022 553 L HN 0.752 nan 8.230 nan 0.000 0.897 554 N N -0.601 117.964 118.700 -0.226 0.000 2.717 554 N HA 0.382 5.122 4.740 -0.000 0.000 0.314 554 N C 0.296 175.430 175.510 -0.626 0.000 1.324 554 N CA -0.571 52.253 53.050 -0.378 0.000 0.902 554 N CB 0.342 38.823 38.487 -0.012 0.000 1.126 554 N HN 0.172 nan 8.380 nan 0.000 0.579 555 H N 0.310 119.155 119.070 -0.375 0.000 2.505 555 H HA 0.374 4.930 4.556 -0.000 0.000 0.260 555 H C -0.180 174.850 175.328 -0.497 0.000 1.168 555 H CA -0.204 55.485 56.048 -0.598 0.000 0.945 555 H CB 0.095 29.105 29.762 -1.254 0.000 1.800 555 H HN 0.297 nan 8.280 nan 0.000 0.586 556 I N 2.602 122.986 120.570 -0.310 0.000 2.598 556 I HA -0.064 4.106 4.170 -0.000 0.000 0.284 556 I C 1.552 177.513 176.117 -0.260 0.000 1.140 556 I CA 0.600 61.761 61.300 -0.232 0.000 1.420 556 I CB 0.593 38.512 38.000 -0.134 0.000 1.387 556 I HN 0.326 nan 8.210 nan 0.000 0.553 557 M N 3.027 122.467 119.600 -0.267 0.000 2.215 557 M HA 0.348 4.828 4.480 -0.000 0.000 0.391 557 M C 0.049 175.848 176.300 -0.836 0.000 0.914 557 M CA -0.155 54.950 55.300 -0.324 0.000 1.035 557 M CB 1.210 33.657 32.600 -0.254 0.000 1.944 557 M HN 0.516 nan 8.290 nan 0.000 0.656 558 T N 0.655 114.533 114.554 -1.127 0.000 2.661 558 T HA 0.614 4.964 4.350 -0.000 0.000 0.305 558 T C -1.633 172.491 174.700 -0.960 0.000 1.441 558 T CA 0.121 61.553 62.100 -1.113 0.000 0.999 558 T CB 1.860 70.540 68.868 -0.314 0.000 1.650 558 T HN 0.450 nan 8.240 nan 0.000 0.489 559 S N 0.659 116.101 115.700 -0.431 0.000 2.570 559 S HA 0.638 5.108 4.470 -0.000 0.000 0.286 559 S C 0.478 175.036 174.600 -0.071 0.000 1.099 559 S CA -0.806 57.280 58.200 -0.191 0.000 0.913 559 S CB 2.078 65.205 63.200 -0.121 0.000 1.085 559 S HN 0.666 nan 8.310 nan 0.000 0.480 560 K N 0.962 121.365 120.400 0.005 0.000 1.985 560 K HA 0.110 4.430 4.320 -0.000 0.000 0.210 560 K C 0.203 176.818 176.600 0.024 0.000 1.047 560 K CA 1.435 57.756 56.287 0.057 0.000 0.932 560 K CB -0.137 32.469 32.500 0.177 0.000 0.716 560 K HN 0.470 nan 8.250 nan 0.000 0.439 561 K N 1.190 121.610 120.400 0.033 0.000 2.249 561 K HA 0.038 4.358 4.320 -0.000 0.000 0.280 561 K C 0.766 177.340 176.600 -0.044 0.000 1.033 561 K CA 0.223 56.497 56.287 -0.022 0.000 0.946 561 K CB 1.218 33.704 32.500 -0.022 0.000 1.005 561 K HN 0.177 nan 8.250 nan 0.000 0.469 562 Q N 1.508 121.284 119.800 -0.039 0.000 2.119 562 Q HA -0.123 4.217 4.340 -0.000 0.000 0.201 562 Q C -0.409 175.564 176.000 -0.045 0.000 0.972 562 Q CA 1.433 57.220 55.803 -0.027 0.000 0.847 562 Q CB 0.403 29.130 28.738 -0.018 0.000 0.903 562 Q HN 0.500 nan 8.270 nan 0.000 0.433 563 E N 0.890 121.051 120.200 -0.065 0.000 2.063 563 E HA 0.252 4.602 4.350 -0.000 0.000 0.265 563 E C -1.197 175.320 176.600 -0.138 0.000 0.919 563 E CA -0.275 56.077 56.400 -0.080 0.000 0.756 563 E CB 1.060 30.727 29.700 -0.054 0.000 1.120 563 E HN 0.225 nan 8.360 nan 0.000 0.414 564 L N 3.210 124.284 121.223 -0.248 0.000 2.371 564 L HA 0.116 4.456 4.340 -0.000 0.000 0.272 564 L C 0.948 177.670 176.870 -0.246 0.000 1.124 564 L CA -0.388 54.206 54.840 -0.411 0.000 0.816 564 L CB 0.540 41.936 42.059 -1.105 0.000 1.129 564 L HN 0.424 nan 8.230 nan 0.000 0.448 565 Q N 1.320 121.001 119.800 -0.198 0.000 2.846 565 Q HA 0.433 4.773 4.340 -0.000 0.000 0.185 565 Q C -0.405 175.478 176.000 -0.194 0.000 1.105 565 Q CA -0.402 55.283 55.803 -0.197 0.000 0.724 565 Q CB 0.385 29.067 28.738 -0.093 0.000 4.033 565 Q HN 0.443 nan 8.270 nan 0.000 0.373 566 H N -0.890 118.225 119.070 0.074 0.000 2.567 566 H HA 0.369 4.925 4.556 -0.000 0.000 0.345 566 H C -0.263 175.068 175.328 0.004 0.000 1.169 566 H CA -0.561 55.533 56.048 0.077 0.000 1.227 566 H CB 0.483 30.298 29.762 0.088 0.000 1.607 566 H HN 0.249 nan 8.280 nan 0.000 0.534 567 F N 1.838 121.971 119.950 0.304 0.000 2.480 567 F HA 0.112 4.639 4.527 0.000 0.000 0.319 567 F C -1.249 174.636 175.800 0.142 0.000 1.230 567 F CA -1.313 56.805 58.000 0.198 0.000 1.285 567 F CB -0.148 38.922 39.000 0.116 0.000 1.208 567 F HN 0.340 nan 8.300 nan 0.000 0.579 568 P HA -0.042 nan 4.420 nan 0.000 0.266 568 P C 0.250 177.624 177.300 0.124 0.000 1.193 568 P CA 0.179 63.388 63.100 0.182 0.000 0.770 568 P CB 0.609 32.397 31.700 0.147 0.000 0.836 569 S N 0.914 116.658 115.700 0.074 0.000 2.442 569 S HA -0.162 4.308 4.470 -0.000 0.000 0.236 569 S C 1.733 176.333 174.600 0.001 0.000 1.007 569 S CA 1.273 59.488 58.200 0.024 0.000 0.965 569 S CB -1.235 61.970 63.200 0.008 0.000 0.773 569 S HN 0.594 nan 8.310 nan 0.000 0.504 570 S N 1.148 116.854 115.700 0.010 0.000 2.447 570 S HA 0.109 4.579 4.470 -0.000 0.000 0.233 570 S C 0.629 175.208 174.600 -0.036 0.000 1.006 570 S CA -0.144 58.049 58.200 -0.011 0.000 0.957 570 S CB -0.818 62.381 63.200 -0.001 0.000 0.773 570 S HN 0.424 nan 8.310 nan 0.000 0.507 571 L N 1.762 122.964 121.223 -0.034 0.000 2.499 571 L HA 0.413 4.753 4.340 -0.000 0.000 0.273 571 L C 0.974 177.755 176.870 -0.148 0.000 1.195 571 L CA 0.428 55.217 54.840 -0.084 0.000 0.882 571 L CB 0.534 42.537 42.059 -0.093 0.000 1.133 571 L HN 0.213 nan 8.230 nan 0.000 0.483 572 A N 4.594 127.296 122.820 -0.197 0.000 2.070 572 A HA 0.352 4.672 4.320 -0.000 0.000 0.202 572 A C 0.095 177.229 177.584 -0.750 0.000 1.277 572 A CA 0.185 51.946 52.037 -0.459 0.000 0.872 572 A CB 0.110 18.831 19.000 -0.466 0.000 0.933 572 A HN 0.528 nan 8.150 nan 0.000 0.475 573 F N -0.674 119.197 119.950 -0.131 0.000 2.539 573 F HA 0.606 5.133 4.527 0.000 0.000 0.318 573 F C -0.759 174.922 175.800 -0.199 0.000 1.135 573 F CA -0.908 57.009 58.000 -0.139 0.000 0.915 573 F CB 2.193 41.126 39.000 -0.112 0.000 1.176 573 F HN -0.001 nan 8.300 nan 0.000 0.440 574 L N 4.388 125.586 121.223 -0.041 0.000 2.342 574 L HA 0.530 4.870 4.340 -0.000 0.000 0.276 574 L C -0.950 175.898 176.870 -0.036 0.000 0.997 574 L CA -0.345 54.411 54.840 -0.140 0.000 0.838 574 L CB 0.975 42.874 42.059 -0.267 0.000 1.224 574 L HN 0.525 nan 8.230 nan 0.000 0.416 575 N N 5.423 124.110 118.700 -0.021 0.000 2.439 575 N HA 0.321 5.061 4.740 -0.000 0.000 0.249 575 N C -0.280 175.270 175.510 0.065 0.000 1.003 575 N CA -0.122 52.938 53.050 0.017 0.000 0.942 575 N CB 0.835 39.315 38.487 -0.012 0.000 1.115 575 N HN 0.782 nan 8.380 nan 0.000 0.505 576 L N 2.001 123.286 121.223 0.104 0.000 3.014 576 L HA 0.152 4.492 4.340 -0.000 0.000 0.263 576 L C 0.757 177.750 176.870 0.206 0.000 1.207 576 L CA -0.279 54.674 54.840 0.190 0.000 1.017 576 L CB -0.016 42.225 42.059 0.303 0.000 1.360 576 L HN 0.467 nan 8.230 nan 0.000 0.560 577 T N -2.115 112.513 114.554 0.123 0.000 2.932 577 T HA 0.058 4.408 4.350 -0.000 0.000 0.312 577 T C 0.641 175.382 174.700 0.069 0.000 1.071 577 T CA -0.080 62.085 62.100 0.108 0.000 1.128 577 T CB 0.916 69.817 68.868 0.054 0.000 0.984 577 T HN 0.405 nan 8.240 nan 0.000 0.549 578 Q N 0.041 119.886 119.800 0.074 0.000 2.475 578 Q HA -0.194 4.146 4.340 -0.000 0.000 0.280 578 Q C -0.466 175.494 176.000 -0.067 0.000 1.234 578 Q CA 0.349 56.157 55.803 0.008 0.000 0.873 578 Q CB -1.589 27.128 28.738 -0.035 0.000 1.256 578 Q HN 0.738 nan 8.270 nan 0.000 0.475 579 N N 0.927 119.560 118.700 -0.112 0.000 2.456 579 N HA 0.124 4.864 4.740 -0.000 0.000 0.296 579 N C -0.464 174.832 175.510 -0.357 0.000 1.102 579 N CA -0.438 52.386 53.050 -0.377 0.000 0.924 579 N CB 0.856 38.873 38.487 -0.784 0.000 1.186 579 N HN 0.085 nan 8.380 nan 0.000 0.492 580 D N 2.392 122.636 120.400 -0.260 0.000 2.688 580 D HA 0.084 4.724 4.640 -0.000 0.000 0.228 580 D C -0.036 176.210 176.300 -0.090 0.000 1.116 580 D CA 0.187 54.135 54.000 -0.087 0.000 1.023 580 D CB -0.273 40.529 40.800 0.002 0.000 1.100 580 D HN 0.286 nan 8.370 nan 0.000 0.487 581 F N 1.107 121.105 119.950 0.080 0.000 2.563 581 F HA 0.108 4.635 4.527 -0.000 0.000 0.363 581 F C 1.283 177.133 175.800 0.083 0.000 1.123 581 F CA -0.416 57.643 58.000 0.097 0.000 1.307 581 F CB 0.612 39.685 39.000 0.123 0.000 1.115 581 F HN 0.119 nan 8.300 nan 0.000 0.592 582 A N 2.939 125.912 122.820 0.256 0.000 2.322 582 A HA 0.405 4.725 4.320 -0.000 0.000 0.327 582 A C -0.643 177.110 177.584 0.281 0.000 1.394 582 A CA -0.581 51.584 52.037 0.213 0.000 0.921 582 A CB -0.207 18.883 19.000 0.150 0.000 1.153 582 A HN 0.925 nan 8.150 nan 0.000 0.523 583 c N 3.367 122.104 118.600 0.228 0.000 3.057 583 c HA 0.426 4.996 4.570 -0.000 0.000 0.563 583 c C 1.294 175.484 174.090 0.167 0.000 1.129 583 c CA 0.050 56.493 56.329 0.190 0.000 1.284 583 c CB -2.338 40.252 42.510 0.132 0.000 1.532 583 c HN 0.831 nan 8.230 nan 0.000 0.631 584 T N -3.225 111.457 114.554 0.213 0.000 2.930 584 T HA 0.231 4.581 4.350 -0.000 0.000 0.290 584 T C 1.061 175.827 174.700 0.109 0.000 1.052 584 T CA -0.549 61.638 62.100 0.145 0.000 1.017 584 T CB 1.102 70.053 68.868 0.138 0.000 1.137 584 T HN 0.373 nan 8.240 nan 0.000 0.511 585 c N 0.882 119.514 118.600 0.053 0.000 2.411 585 c HA -0.064 4.506 4.570 -0.000 0.000 0.279 585 c C 2.264 176.343 174.090 -0.018 0.000 1.288 585 c CA 1.352 57.698 56.329 0.028 0.000 1.764 585 c CB -1.745 40.774 42.510 0.015 0.000 1.974 585 c HN 1.033 nan 8.230 nan 0.000 0.498 586 E N -0.506 119.634 120.200 -0.100 0.000 2.331 586 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 586 E C 1.240 177.580 176.600 -0.434 0.000 1.008 586 E CA 1.124 57.350 56.400 -0.290 0.000 0.843 586 E CB -0.181 29.266 29.700 -0.421 0.000 0.761 586 E HN 0.777 nan 8.360 nan 0.000 0.507 587 H N -0.980 118.158 119.070 0.113 0.000 2.510 587 H HA 0.158 4.714 4.556 0.000 0.000 0.266 587 H C 0.966 176.411 175.328 0.195 0.000 1.146 587 H CA -0.098 56.055 56.048 0.174 0.000 0.993 587 H CB 0.338 30.233 29.762 0.221 0.000 1.727 587 H HN 0.208 nan 8.280 nan 0.000 0.590 588 Q N 0.764 120.675 119.800 0.185 0.000 2.077 588 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 588 Q C 1.543 177.639 176.000 0.159 0.000 0.989 588 Q CA 1.810 57.699 55.803 0.144 0.000 0.853 588 Q CB 0.392 29.181 28.738 0.085 0.000 0.907 588 Q HN 0.176 nan 8.270 nan 0.000 0.418 589 S N -0.112 115.691 115.700 0.171 0.000 2.355 589 S HA -0.124 4.346 4.470 -0.000 0.000 0.222 589 S C 1.388 176.136 174.600 0.247 0.000 1.031 589 S CA 1.075 59.377 58.200 0.171 0.000 0.993 589 S CB -0.423 62.860 63.200 0.138 0.000 0.859 589 S HN 0.491 nan 8.310 nan 0.000 0.453 590 F N 2.396 122.446 119.950 0.167 0.000 2.095 590 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 590 F C 1.754 177.720 175.800 0.277 0.000 1.104 590 F CA 1.339 59.465 58.000 0.210 0.000 1.232 590 F CB -0.454 38.665 39.000 0.198 0.000 0.987 590 F HN 0.105 nan 8.300 nan 0.000 0.475 591 L N -0.190 121.137 121.223 0.173 0.000 2.141 591 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 591 L C 2.467 179.312 176.870 -0.042 0.000 1.094 591 L CA 1.349 56.189 54.840 0.001 0.000 0.763 591 L CB -0.832 41.283 42.059 0.094 0.000 0.908 591 L HN 0.223 nan 8.230 nan 0.000 0.437 592 Q N -0.124 119.699 119.800 0.039 0.000 2.084 592 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 592 Q C 1.995 178.007 176.000 0.021 0.000 0.978 592 Q CA 1.953 57.772 55.803 0.027 0.000 0.844 592 Q CB -0.517 28.259 28.738 0.063 0.000 0.898 592 Q HN 0.503 nan 8.270 nan 0.000 0.426 593 W N 0.054 121.276 121.300 -0.129 0.000 2.358 593 W HA -0.162 4.498 4.660 -0.000 0.000 0.303 593 W C 1.433 177.831 176.519 -0.201 0.000 1.208 593 W CA 1.288 58.545 57.345 -0.148 0.000 1.274 593 W CB -0.125 29.250 29.460 -0.142 0.000 1.138 593 W HN 0.156 nan 8.180 nan 0.000 0.515 594 I N 1.223 121.648 120.570 -0.242 0.000 2.163 594 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 594 I C 2.203 178.100 176.117 -0.367 0.000 1.085 594 I CA 1.855 62.909 61.300 -0.410 0.000 1.347 594 I CB -1.550 36.214 38.000 -0.394 0.000 1.044 594 I HN 0.095 nan 8.210 nan 0.000 0.408 595 K N 0.573 120.819 120.400 -0.257 0.000 2.074 595 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 595 K C 1.541 178.016 176.600 -0.210 0.000 1.048 595 K CA 1.693 57.861 56.287 -0.198 0.000 0.926 595 K CB -0.193 32.229 32.500 -0.130 0.000 0.713 595 K HN 0.308 nan 8.250 nan 0.000 0.444 596 D N 0.588 120.842 120.400 -0.244 0.000 2.350 596 D HA -0.101 4.539 4.640 -0.000 0.000 0.216 596 D C 1.347 177.469 176.300 -0.296 0.000 0.968 596 D CA 0.821 54.683 54.000 -0.230 0.000 0.894 596 D CB 0.090 40.775 40.800 -0.193 0.000 0.909 596 D HN 0.154 nan 8.370 nan 0.000 0.520 597 Q N -0.020 119.532 119.800 -0.415 0.000 2.320 597 Q HA 0.082 4.422 4.340 -0.000 0.000 0.201 597 Q C 1.693 177.555 176.000 -0.230 0.000 0.910 597 Q CA -0.110 55.475 55.803 -0.363 0.000 0.946 597 Q CB 0.170 28.603 28.738 -0.508 0.000 1.062 597 Q HN 0.345 nan 8.270 nan 0.000 0.503 598 R N 1.190 121.573 120.500 -0.195 0.000 2.134 598 R HA -0.217 4.123 4.340 -0.000 0.000 0.248 598 R C 1.561 177.787 176.300 -0.124 0.000 1.143 598 R CA 1.755 57.768 56.100 -0.144 0.000 0.957 598 R CB 0.205 30.433 30.300 -0.120 0.000 0.867 598 R HN 0.168 nan 8.270 nan 0.000 0.441 599 Q N 0.023 119.746 119.800 -0.127 0.000 2.364 599 Q HA -0.094 4.246 4.340 -0.000 0.000 0.207 599 Q C 2.069 177.976 176.000 -0.154 0.000 0.970 599 Q CA 0.933 56.660 55.803 -0.126 0.000 0.888 599 Q CB 0.061 28.725 28.738 -0.122 0.000 0.951 599 Q HN 0.484 nan 8.270 nan 0.000 0.469 600 L N -0.158 120.971 121.223 -0.156 0.000 2.307 600 L HA 0.094 4.434 4.340 -0.000 0.000 0.211 600 L C 0.852 177.651 176.870 -0.118 0.000 1.099 600 L CA 0.004 54.739 54.840 -0.175 0.000 0.816 600 L CB 0.077 42.037 42.059 -0.164 0.000 0.952 600 L HN 0.088 nan 8.230 nan 0.000 0.455 601 L N 0.779 121.946 121.223 -0.093 0.000 2.439 601 L HA 0.182 4.522 4.340 -0.000 0.000 0.269 601 L C -0.102 176.774 176.870 0.009 0.000 1.179 601 L CA -0.348 54.465 54.840 -0.046 0.000 0.828 601 L CB 0.919 42.937 42.059 -0.068 0.000 1.106 601 L HN -0.131 nan 8.230 nan 0.000 0.467 602 V N -1.310 118.628 119.914 0.040 0.000 2.628 602 V HA 0.403 4.523 4.120 -0.000 0.000 0.306 602 V C -0.087 176.025 176.094 0.030 0.000 1.045 602 V CA -0.868 61.468 62.300 0.060 0.000 0.905 602 V CB 1.422 33.293 31.823 0.081 0.000 0.997 602 V HN 0.889 nan 8.190 nan 0.000 0.436 603 E N 1.441 121.655 120.200 0.024 0.000 2.197 603 E HA -0.205 4.145 4.350 -0.000 0.000 0.184 603 E C 1.004 177.612 176.600 0.013 0.000 1.439 603 E CA 0.636 57.045 56.400 0.015 0.000 0.688 603 E CB -0.846 28.863 29.700 0.014 0.000 1.090 603 E HN 1.332 nan 8.360 nan 0.000 0.341 604 V N -0.708 119.206 119.914 -0.000 0.000 2.688 604 V HA -0.302 3.818 4.120 -0.000 0.000 0.256 604 V C 2.264 178.353 176.094 -0.009 0.000 1.084 604 V CA 2.090 64.381 62.300 -0.014 0.000 1.103 604 V CB -0.369 31.431 31.823 -0.039 0.000 0.688 604 V HN 0.566 nan 8.190 nan 0.000 0.480 605 E N 2.040 122.239 120.200 -0.001 0.000 2.333 605 E HA -0.252 4.098 4.350 -0.000 0.000 0.198 605 E C 1.882 178.494 176.600 0.020 0.000 1.007 605 E CA 1.392 57.795 56.400 0.004 0.000 0.845 605 E CB -0.387 29.316 29.700 0.004 0.000 0.766 605 E HN 0.696 nan 8.360 nan 0.000 0.507 606 R N -0.064 120.454 120.500 0.030 0.000 2.427 606 R HA 0.336 4.676 4.340 -0.000 0.000 0.262 606 R C 0.326 176.680 176.300 0.091 0.000 0.943 606 R CA -0.122 56.008 56.100 0.049 0.000 1.081 606 R CB 0.227 30.550 30.300 0.038 0.000 1.166 606 R HN 0.125 nan 8.270 nan 0.000 0.534 607 M N 1.397 121.051 119.600 0.089 0.000 2.080 607 M HA 0.220 4.700 4.480 -0.000 0.000 0.350 607 M C -0.816 175.543 176.300 0.098 0.000 1.143 607 M CA 0.278 55.673 55.300 0.158 0.000 1.064 607 M CB 1.318 33.940 32.600 0.037 0.000 1.429 607 M HN -0.069 nan 8.290 nan 0.000 0.418 608 E N 1.216 121.551 120.200 0.224 0.000 2.288 608 E HA 0.406 4.756 4.350 -0.000 0.000 0.268 608 E C -1.054 175.700 176.600 0.257 0.000 0.885 608 E CA -0.927 55.569 56.400 0.160 0.000 0.767 608 E CB 2.263 32.031 29.700 0.114 0.000 1.220 608 E HN 0.577 nan 8.360 nan 0.000 0.427 609 c N 1.896 120.598 118.600 0.171 0.000 2.642 609 c HA 0.232 4.802 4.570 -0.000 0.000 0.420 609 c C 1.549 175.735 174.090 0.162 0.000 1.349 609 c CA 0.017 56.462 56.329 0.193 0.000 1.821 609 c CB -0.407 42.179 42.510 0.128 0.000 2.637 609 c HN 0.932 nan 8.230 nan 0.000 0.605 610 A N 2.667 125.586 122.820 0.165 0.000 2.014 610 A HA 0.298 4.618 4.320 -0.000 0.000 0.210 610 A C 0.979 178.624 177.584 0.100 0.000 1.188 610 A CA 1.018 53.122 52.037 0.113 0.000 0.731 610 A CB -0.082 18.974 19.000 0.093 0.000 0.858 610 A HN 0.905 nan 8.150 nan 0.000 0.464 611 T N -3.058 111.567 114.554 0.118 0.000 2.896 611 T HA 0.641 4.991 4.350 -0.000 0.000 0.297 611 T C -3.358 171.413 174.700 0.119 0.000 1.108 611 T CA -2.094 60.070 62.100 0.107 0.000 1.004 611 T CB 2.506 71.439 68.868 0.108 0.000 1.159 611 T HN -0.017 nan 8.240 nan 0.000 0.499 612 P HA 0.252 nan 4.420 nan 0.000 0.277 612 P C 1.050 178.390 177.300 0.066 0.000 1.271 612 P CA -0.373 62.775 63.100 0.079 0.000 0.795 612 P CB 0.815 32.558 31.700 0.071 0.000 1.101 613 S N -0.005 115.728 115.700 0.055 0.000 2.374 613 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 613 S C 1.424 176.051 174.600 0.044 0.000 1.037 613 S CA 2.039 60.267 58.200 0.047 0.000 1.024 613 S CB -1.250 61.973 63.200 0.039 0.000 0.861 613 S HN 0.661 nan 8.310 nan 0.000 0.456 614 D N -0.484 119.941 120.400 0.042 0.000 2.371 614 D HA -0.071 4.569 4.640 -0.000 0.000 0.221 614 D C 1.271 177.595 176.300 0.040 0.000 0.986 614 D CA 0.691 54.714 54.000 0.038 0.000 0.899 614 D CB -0.094 40.727 40.800 0.034 0.000 0.902 614 D HN 0.435 nan 8.370 nan 0.000 0.530 615 K N -0.296 120.134 120.400 0.050 0.000 2.438 615 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 615 K C 0.605 177.240 176.600 0.059 0.000 1.081 615 K CA -0.336 55.982 56.287 0.053 0.000 1.053 615 K CB 0.953 33.489 32.500 0.061 0.000 0.908 615 K HN 0.049 nan 8.250 nan 0.000 0.556 616 Q N 0.651 120.487 119.800 0.061 0.000 2.263 616 Q HA -0.020 4.320 4.340 -0.000 0.000 0.289 616 Q C 0.582 176.616 176.000 0.057 0.000 1.061 616 Q CA 1.446 57.288 55.803 0.065 0.000 0.927 616 Q CB 0.254 29.028 28.738 0.059 0.000 1.154 616 Q HN 0.505 nan 8.270 nan 0.000 0.378 617 G N 3.389 112.228 108.800 0.065 0.000 2.213 617 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 617 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 617 G C 0.135 175.063 174.900 0.047 0.000 0.991 617 G CA 0.108 45.240 45.100 0.055 0.000 0.629 617 G HN 0.595 nan 8.290 nan 0.000 0.517 618 M N 1.953 121.581 119.600 0.046 0.000 2.217 618 M HA 0.346 4.826 4.480 -0.000 0.000 0.354 618 M C -2.158 174.156 176.300 0.024 0.000 1.225 618 M CA -1.537 53.781 55.300 0.031 0.000 1.137 618 M CB 0.752 33.368 32.600 0.027 0.000 1.576 618 M HN -0.100 nan 8.290 nan 0.000 0.461 619 P HA -0.016 nan 4.420 nan 0.000 0.267 619 P C 0.559 177.828 177.300 -0.051 0.000 1.209 619 P CA -0.104 62.986 63.100 -0.017 0.000 0.763 619 P CB 0.448 32.137 31.700 -0.019 0.000 0.816 620 V N 4.500 124.348 119.914 -0.109 0.000 2.392 620 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 620 V C 2.090 178.094 176.094 -0.150 0.000 1.059 620 V CA 1.813 64.005 62.300 -0.180 0.000 1.051 620 V CB -0.976 30.579 31.823 -0.447 0.000 0.658 620 V HN 0.579 nan 8.190 nan 0.000 0.455 621 L N 0.733 121.872 121.223 -0.139 0.000 2.465 621 L HA -0.027 4.313 4.340 -0.000 0.000 0.224 621 L C 2.197 179.024 176.870 -0.072 0.000 1.145 621 L CA 1.341 56.114 54.840 -0.112 0.000 0.834 621 L CB -0.485 41.509 42.059 -0.109 0.000 0.944 621 L HN 0.548 nan 8.230 nan 0.000 0.451 622 S N -0.776 114.891 115.700 -0.055 0.000 2.605 622 S HA 0.235 4.705 4.470 -0.000 0.000 0.217 622 S C 0.454 175.039 174.600 -0.025 0.000 0.958 622 S CA -0.406 57.773 58.200 -0.034 0.000 0.919 622 S CB -0.154 63.031 63.200 -0.024 0.000 0.780 622 S HN 0.205 nan 8.310 nan 0.000 0.507 623 L N 1.979 123.184 121.223 -0.030 0.000 2.329 623 L HA 0.547 4.887 4.340 -0.000 0.000 0.279 623 L C -0.667 176.196 176.870 -0.012 0.000 1.014 623 L CA -0.781 54.051 54.840 -0.014 0.000 0.814 623 L CB 1.359 43.415 42.059 -0.006 0.000 1.257 623 L HN 0.101 nan 8.230 nan 0.000 0.424 624 N N 4.307 123.006 118.700 -0.001 0.000 2.546 624 N HA 0.405 5.145 4.740 -0.000 0.000 0.238 624 N C -0.467 175.053 175.510 0.017 0.000 0.984 624 N CA -0.282 52.771 53.050 0.005 0.000 0.935 624 N CB 1.697 40.186 38.487 0.003 0.000 1.122 624 N HN 0.464 nan 8.380 nan 0.000 0.510 625 I N 1.910 122.496 120.570 0.026 0.000 2.471 625 I HA 0.055 4.225 4.170 -0.000 0.000 0.286 625 I C 1.019 177.157 176.117 0.036 0.000 1.079 625 I CA 0.070 61.395 61.300 0.040 0.000 1.398 625 I CB 0.524 38.562 38.000 0.063 0.000 1.403 625 I HN 0.335 nan 8.210 nan 0.000 0.530 626 T N 2.752 117.325 114.554 0.032 0.000 2.912 626 T HA 0.553 4.903 4.350 -0.000 0.000 0.288 626 T C -0.305 174.410 174.700 0.026 0.000 1.030 626 T CA -0.704 61.412 62.100 0.026 0.000 1.020 626 T CB 1.750 70.630 68.868 0.020 0.000 1.056 626 T HN 0.538 nan 8.240 nan 0.000 0.480 627 c N 0.000 118.613 118.600 0.021 0.000 2.653 627 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 627 c CA 0.000 56.339 56.329 0.017 0.000 1.963 627 c CB 0.000 42.519 42.510 0.014 0.000 2.134 627 c HN 0.000 nan 8.230 nan 0.000 0.568