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 3ofn_1_B DATA FIRST_RESID 25 DATA SEQUENCE ANLNETGRVL AVGDGIARVF GLNNIQAEEL VEFSSGVKGM ALILEPGQVG DATA SEQUENCE IVLFGSDRLV KEGELVKRTG NIVDVPVGPG LLGRVVDALG NPIDGKGPID DATA SEQUENCE AAGRSRAQVK APGILPRRSV HEPVQTGLKA VDALVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTAVALDT ILNQKRWNNG SDESKKLYCV YVAVGQKRST VAQLVQTLEQ DATA SEQUENCE HDAMKYSIIV AATASEAAPL QYLAPFTAAS IGEWFRDNGK HALIVYDDLS DATA SEQUENCE KQAVAYRQLS LLLRRPPGRE AYPGDVFYLH SRLLERAAKL SEKEGSGSLT DATA SEQUENCE ALPVIETQGG DVSAYIPTNV ISITDGQIFL EAELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQVKA LKQVAGSLKL FLAQYREVAA FAQFGSDLDA STKQTLVRGE DATA SEQUENCE RLTQLLKQNQ YSPLATEEQV PLIYAGVNGH LDGIELSRIG EFESSFLSYL DATA SEQUENCE KSNHNELLTE IREKGELSKE LLASLKSATE SFVATF 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.597 177.584 0.021 0.000 1.274 25 A CA 0.000 52.048 52.037 0.018 0.000 0.836 25 A CB 0.000 19.011 19.000 0.018 0.000 0.831 26 N N 3.875 122.588 118.700 0.022 0.000 2.804 26 N HA 0.215 4.970 4.740 0.024 0.000 0.251 26 N C 0.373 175.898 175.510 0.025 0.000 1.250 26 N CA -0.475 52.587 53.050 0.020 0.000 0.820 26 N CB 0.622 39.115 38.487 0.010 0.000 1.156 26 N HN 0.651 nan 8.380 nan 0.000 0.512 27 L N 1.064 122.314 121.223 0.045 0.000 2.661 27 L HA -0.156 4.198 4.340 0.024 0.000 0.236 27 L C 1.579 178.458 176.870 0.014 0.000 1.176 27 L CA 0.733 55.605 54.840 0.055 0.000 0.836 27 L CB -0.330 41.787 42.059 0.098 0.000 0.960 27 L HN 0.458 nan 8.230 nan 0.000 0.455 28 N N -0.391 118.313 118.700 0.006 0.000 2.305 28 N HA -0.066 4.688 4.740 0.024 0.000 0.179 28 N C 1.390 176.894 175.510 -0.011 0.000 1.019 28 N CA 0.853 53.899 53.050 -0.007 0.000 0.869 28 N CB 0.273 38.758 38.487 -0.004 0.000 1.000 28 N HN 0.344 nan 8.380 nan 0.000 0.431 29 E N -0.061 120.135 120.200 -0.007 0.000 2.490 29 E HA 0.189 4.553 4.350 0.024 0.000 0.209 29 E C 0.100 176.689 176.600 -0.020 0.000 0.971 29 E CA 0.236 56.628 56.400 -0.013 0.000 0.988 29 E CB 0.770 30.465 29.700 -0.009 0.000 1.029 29 E HN 0.031 nan 8.360 nan 0.000 0.496 30 T N -0.035 114.512 114.554 -0.012 0.000 2.932 30 T HA 0.693 5.058 4.350 0.024 0.000 0.289 30 T C -0.138 174.560 174.700 -0.004 0.000 1.039 30 T CA -0.503 61.588 62.100 -0.016 0.000 1.024 30 T CB 2.071 70.937 68.868 -0.003 0.000 1.090 30 T HN 0.106 nan 8.240 nan 0.000 0.496 31 G N 0.152 108.942 108.800 -0.018 0.000 2.605 31 G HA2 0.720 4.694 3.960 0.024 0.000 0.296 31 G HA3 0.720 4.694 3.960 0.024 0.000 0.296 31 G C -1.154 173.768 174.900 0.037 0.000 1.304 31 G CA -0.775 44.337 45.100 0.020 0.000 0.941 31 G HN 0.877 nan 8.290 nan 0.000 0.475 32 R N -0.232 120.329 120.500 0.101 0.000 2.494 32 R HA 0.727 5.082 4.340 0.024 0.000 0.305 32 R C -0.336 176.028 176.300 0.108 0.000 0.959 32 R CA -0.650 55.499 56.100 0.082 0.000 0.864 32 R CB 1.149 31.480 30.300 0.051 0.000 1.159 32 R HN 0.919 nan 8.270 nan 0.000 0.446 33 V N 4.251 124.227 119.914 0.103 0.000 2.529 33 V HA 0.089 4.223 4.120 0.024 0.000 0.292 33 V C 1.401 177.553 176.094 0.097 0.000 1.028 33 V CA 0.219 62.599 62.300 0.133 0.000 1.074 33 V CB 0.731 32.654 31.823 0.167 0.000 0.958 33 V HN 0.870 nan 8.190 nan 0.000 0.481 34 L N 3.859 125.145 121.223 0.105 0.000 2.200 34 L HA 0.460 4.815 4.340 0.024 0.000 0.200 34 L C 0.957 177.862 176.870 0.058 0.000 1.072 34 L CA 1.225 56.113 54.840 0.080 0.000 0.787 34 L CB 0.100 42.224 42.059 0.108 0.000 0.957 34 L HN 0.808 nan 8.230 nan 0.000 0.459 35 A N -1.185 121.673 122.820 0.063 0.000 2.610 35 A HA 0.668 5.002 4.320 0.024 0.000 0.291 35 A C -1.776 175.832 177.584 0.040 0.000 1.086 35 A CA -0.390 51.672 52.037 0.042 0.000 0.677 35 A CB 1.984 21.002 19.000 0.031 0.000 1.278 35 A HN -0.201 nan 8.150 nan 0.000 0.414 36 V N -0.229 119.694 119.914 0.017 0.000 2.924 36 V HA 0.880 5.015 4.120 0.024 0.000 0.300 36 V C -0.371 175.711 176.094 -0.020 0.000 1.227 36 V CA 0.914 63.211 62.300 -0.005 0.000 0.954 36 V CB 1.857 33.666 31.823 -0.023 0.000 1.055 36 V HN 2.664 nan 8.190 nan 0.000 0.429 37 G N 3.586 112.368 108.800 -0.030 0.000 2.386 37 G HA2 0.496 4.470 3.960 0.024 0.000 0.302 37 G HA3 0.496 4.470 3.960 0.024 0.000 0.302 37 G C -0.774 174.104 174.900 -0.036 0.000 1.629 37 G CA 0.222 45.302 45.100 -0.032 0.000 0.917 37 G HN 1.179 nan 8.290 nan 0.000 0.676 38 D N -0.774 119.603 120.400 -0.039 0.000 2.981 38 D HA -0.074 4.581 4.640 0.024 0.000 0.223 38 D C 1.749 178.017 176.300 -0.055 0.000 1.151 38 D CA 3.186 57.160 54.000 -0.044 0.000 0.827 38 D CB -1.231 39.544 40.800 -0.041 0.000 1.101 38 D HN 2.315 nan 8.370 nan 0.000 0.426 39 G N -1.166 107.597 108.800 -0.062 0.000 2.168 39 G HA2 -0.301 3.674 3.960 0.024 0.000 0.263 39 G HA3 -0.301 3.674 3.960 0.024 0.000 0.263 39 G C 0.266 175.112 174.900 -0.090 0.000 0.977 39 G CA 0.489 45.541 45.100 -0.081 0.000 0.659 39 G HN 0.556 nan 8.290 nan 0.000 0.533 40 I N 0.050 120.580 120.570 -0.067 0.000 2.441 40 I HA 0.752 4.936 4.170 0.024 0.000 0.295 40 I C 0.292 176.395 176.117 -0.025 0.000 0.994 40 I CA -0.847 60.425 61.300 -0.047 0.000 1.144 40 I CB 1.587 39.566 38.000 -0.035 0.000 1.314 40 I HN 0.399 nan 8.210 nan 0.000 0.445 41 A N 6.325 129.154 122.820 0.015 0.000 2.340 41 A HA 0.625 4.960 4.320 0.024 0.000 0.297 41 A C -0.222 177.428 177.584 0.110 0.000 1.195 41 A CA -0.717 51.361 52.037 0.067 0.000 0.769 41 A CB 0.785 19.846 19.000 0.101 0.000 1.163 41 A HN 0.743 nan 8.150 nan 0.000 0.472 42 R N 1.109 121.659 120.500 0.084 0.000 2.340 42 R HA 0.506 4.861 4.340 0.024 0.000 0.300 42 R C -0.931 175.436 176.300 0.111 0.000 1.069 42 R CA -0.017 56.133 56.100 0.082 0.000 0.984 42 R CB 1.204 31.540 30.300 0.061 0.000 1.003 42 R HN 0.445 nan 8.270 nan 0.000 0.459 43 V N 4.900 124.876 119.914 0.102 0.000 2.531 43 V HA 0.278 4.412 4.120 0.024 0.000 0.301 43 V C -0.631 175.534 176.094 0.118 0.000 1.034 43 V CA -0.859 61.509 62.300 0.114 0.000 0.865 43 V CB 1.524 33.390 31.823 0.072 0.000 0.995 43 V HN 0.583 nan 8.190 nan 0.000 0.424 44 F N 4.123 124.078 119.950 0.009 0.000 2.399 44 F HA 0.702 5.244 4.527 0.024 0.000 0.342 44 F C 1.000 176.796 175.800 -0.006 0.000 1.106 44 F CA 1.790 59.792 58.000 0.003 0.000 1.196 44 F CB 1.103 40.106 39.000 0.005 0.000 1.163 44 F HN 0.910 nan 8.300 nan 0.000 0.547 45 G N 3.943 112.611 108.800 -0.220 0.000 2.481 45 G HA2 -0.218 3.757 3.960 0.024 0.000 0.230 45 G HA3 -0.218 3.757 3.960 0.024 0.000 0.230 45 G C -0.032 174.821 174.900 -0.080 0.000 1.210 45 G CA -0.496 44.565 45.100 -0.066 0.000 0.936 45 G HN 1.314 nan 8.290 nan 0.000 0.583 46 L N 0.095 121.300 121.223 -0.030 0.000 3.762 46 L HA -0.220 4.134 4.340 0.024 0.000 0.460 46 L C 1.677 178.516 176.870 -0.051 0.000 1.255 46 L CA 0.545 55.361 54.840 -0.040 0.000 0.783 46 L CB -1.358 40.674 42.059 -0.045 0.000 1.600 46 L HN 0.679 nan 8.230 nan 0.000 0.862 47 N N 0.617 119.286 118.700 -0.051 0.000 2.084 47 N HA -0.112 4.642 4.740 0.024 0.000 0.190 47 N C 1.212 176.698 175.510 -0.040 0.000 1.030 47 N CA 1.725 54.740 53.050 -0.058 0.000 0.849 47 N CB -0.123 38.332 38.487 -0.053 0.000 1.012 47 N HN 0.574 nan 8.380 nan 0.000 0.423 48 N N 1.101 119.784 118.700 -0.028 0.000 2.449 48 N HA 0.032 4.787 4.740 0.024 0.000 0.191 48 N C 0.539 176.039 175.510 -0.016 0.000 1.161 48 N CA -0.072 52.966 53.050 -0.020 0.000 0.863 48 N CB 0.363 38.841 38.487 -0.014 0.000 0.980 48 N HN 0.371 nan 8.380 nan 0.000 0.458 49 I N 1.570 122.128 120.570 -0.020 0.000 2.648 49 I HA -0.104 4.081 4.170 0.024 0.000 0.284 49 I C 0.161 176.274 176.117 -0.007 0.000 1.153 49 I CA -0.214 61.078 61.300 -0.013 0.000 1.426 49 I CB 0.603 38.592 38.000 -0.017 0.000 1.381 49 I HN 0.065 nan 8.210 nan 0.000 0.571 50 Q N 5.549 125.350 119.800 0.002 0.000 2.317 50 Q HA 0.518 4.872 4.340 0.024 0.000 0.229 50 Q C -0.149 175.860 176.000 0.014 0.000 0.984 50 Q CA -0.815 54.992 55.803 0.007 0.000 0.911 50 Q CB 0.775 29.519 28.738 0.010 0.000 1.217 50 Q HN 0.773 nan 8.270 nan 0.000 0.501 51 A N 1.449 124.278 122.820 0.016 0.000 2.451 51 A HA 0.164 4.499 4.320 0.024 0.000 0.266 51 A C -0.143 177.462 177.584 0.035 0.000 1.119 51 A CA -0.003 52.048 52.037 0.023 0.000 0.786 51 A CB -0.400 18.612 19.000 0.020 0.000 1.061 51 A HN 0.909 nan 8.150 nan 0.000 0.503 52 E N -0.141 120.089 120.200 0.050 0.000 3.181 52 E HA -0.177 4.188 4.350 0.024 0.000 0.293 52 E C 0.049 176.696 176.600 0.080 0.000 0.936 52 E CA 1.119 57.563 56.400 0.074 0.000 0.975 52 E CB -1.429 28.310 29.700 0.065 0.000 1.496 52 E HN 0.908 nan 8.360 nan 0.000 0.429 53 E N 0.938 121.176 120.200 0.065 0.000 2.338 53 E HA 0.231 4.595 4.350 0.024 0.000 0.272 53 E C -0.247 176.409 176.600 0.092 0.000 1.029 53 E CA -0.549 55.887 56.400 0.060 0.000 0.872 53 E CB 0.637 30.358 29.700 0.035 0.000 1.015 53 E HN 0.067 nan 8.360 nan 0.000 0.417 54 L N 5.061 126.342 121.223 0.097 0.000 2.461 54 L HA 0.124 4.478 4.340 0.024 0.000 0.272 54 L C -0.511 176.417 176.870 0.096 0.000 1.197 54 L CA 0.229 55.149 54.840 0.133 0.000 0.836 54 L CB 1.170 43.285 42.059 0.092 0.000 1.105 54 L HN 0.389 nan 8.230 nan 0.000 0.477 55 V N 1.200 121.191 119.914 0.128 0.000 2.962 55 V HA 0.673 4.807 4.120 0.024 0.000 0.313 55 V C -0.794 175.344 176.094 0.073 0.000 1.099 55 V CA -0.820 61.500 62.300 0.033 0.000 0.971 55 V CB 1.861 33.630 31.823 -0.089 0.000 1.028 55 V HN 0.839 nan 8.190 nan 0.000 0.430 56 E N 1.957 122.148 120.200 -0.016 0.000 2.191 56 E HA 0.558 4.922 4.350 0.024 0.000 0.263 56 E C -1.572 175.016 176.600 -0.020 0.000 0.881 56 E CA -0.663 55.778 56.400 0.068 0.000 0.757 56 E CB 1.586 31.323 29.700 0.063 0.000 1.147 56 E HN 0.674 nan 8.360 nan 0.000 0.414 57 F N 1.458 121.439 119.950 0.051 0.000 2.370 57 F HA 0.143 4.685 4.527 0.024 0.000 0.319 57 F C 1.926 177.747 175.800 0.035 0.000 1.129 57 F CA -0.293 57.733 58.000 0.042 0.000 1.109 57 F CB 1.285 40.310 39.000 0.043 0.000 1.262 57 F HN 0.500 nan 8.300 nan 0.000 0.534 58 S N 0.224 116.058 115.700 0.223 0.000 2.381 58 S HA -0.249 4.235 4.470 0.024 0.000 0.230 58 S C 2.112 176.784 174.600 0.120 0.000 1.052 58 S CA 1.996 60.276 58.200 0.133 0.000 1.068 58 S CB -0.445 62.823 63.200 0.113 0.000 0.918 58 S HN 0.659 nan 8.310 nan 0.000 0.448 59 S N -0.206 115.577 115.700 0.138 0.000 2.399 59 S HA 0.112 4.597 4.470 0.024 0.000 0.231 59 S C 1.870 176.522 174.600 0.087 0.000 1.022 59 S CA 1.159 59.413 58.200 0.089 0.000 0.983 59 S CB -0.307 62.930 63.200 0.061 0.000 0.803 59 S HN 0.831 nan 8.310 nan 0.000 0.480 60 G N -0.089 108.785 108.800 0.123 0.000 2.481 60 G HA2 -0.223 3.751 3.960 0.024 0.000 0.200 60 G HA3 -0.223 3.751 3.960 0.024 0.000 0.200 60 G C 0.251 175.232 174.900 0.135 0.000 1.012 60 G CA -0.122 45.042 45.100 0.108 0.000 0.676 60 G HN 0.602 nan 8.290 nan 0.000 0.488 61 V N 2.395 122.389 119.914 0.133 0.000 2.644 61 V HA 0.408 4.542 4.120 0.024 0.000 0.305 61 V C 0.620 176.874 176.094 0.266 0.000 1.053 61 V CA 0.864 63.244 62.300 0.133 0.000 1.186 61 V CB 0.658 32.492 31.823 0.017 0.000 0.895 61 V HN 0.396 nan 8.190 nan 0.000 0.490 62 K N 4.582 125.145 120.400 0.271 0.000 2.095 62 K HA 0.780 5.115 4.320 0.024 0.000 0.252 62 K C 0.124 177.021 176.600 0.495 0.000 0.977 62 K CA 0.101 56.607 56.287 0.366 0.000 0.900 62 K CB 1.779 34.427 32.500 0.247 0.000 1.060 62 K HN 0.953 nan 8.250 nan 0.000 0.449 63 G N 0.540 109.668 108.800 0.547 0.000 2.725 63 G HA2 0.600 4.575 3.960 0.024 0.000 0.288 63 G HA3 0.600 4.575 3.960 0.024 0.000 0.288 63 G C -1.739 173.400 174.900 0.399 0.000 1.399 63 G CA -0.750 44.628 45.100 0.463 0.000 0.859 63 G HN 0.522 nan 8.290 nan 0.000 0.479 64 M N 1.100 120.828 119.600 0.213 0.000 2.204 64 M HA 0.690 5.184 4.480 0.024 0.000 0.293 64 M C -0.590 175.775 176.300 0.108 0.000 0.994 64 M CA -0.875 54.555 55.300 0.216 0.000 0.925 64 M CB 1.903 34.687 32.600 0.308 0.000 1.577 64 M HN 0.737 nan 8.290 nan 0.000 0.439 65 A N 4.543 127.422 122.820 0.098 0.000 2.410 65 A HA 0.406 4.741 4.320 0.024 0.000 0.292 65 A C 0.017 177.631 177.584 0.051 0.000 1.232 65 A CA -0.379 51.694 52.037 0.060 0.000 0.893 65 A CB 0.053 19.078 19.000 0.041 0.000 1.131 65 A HN 0.949 nan 8.150 nan 0.000 0.530 66 L N 2.904 124.149 121.223 0.037 0.000 2.609 66 L HA 0.451 4.805 4.340 0.024 0.000 0.230 66 L C -0.022 176.861 176.870 0.022 0.000 1.087 66 L CA 0.946 55.806 54.840 0.033 0.000 0.874 66 L CB 0.149 42.220 42.059 0.021 0.000 1.114 66 L HN 0.659 nan 8.230 nan 0.000 0.488 67 I N 0.479 121.057 120.570 0.015 0.000 2.468 67 I HA 0.253 4.437 4.170 0.024 0.000 0.285 67 I C -1.153 174.964 176.117 0.001 0.000 1.039 67 I CA -0.292 61.012 61.300 0.007 0.000 1.074 67 I CB 1.677 39.679 38.000 0.002 0.000 1.228 67 I HN -0.203 nan 8.210 nan 0.000 0.436 68 L N 6.692 127.913 121.223 -0.004 0.000 2.283 68 L HA 0.507 4.862 4.340 0.024 0.000 0.281 68 L C -0.084 176.773 176.870 -0.022 0.000 1.033 68 L CA -0.204 54.627 54.840 -0.015 0.000 0.848 68 L CB 0.806 42.857 42.059 -0.013 0.000 1.226 68 L HN 0.613 nan 8.230 nan 0.000 0.429 69 E N 4.180 124.361 120.200 -0.032 0.000 2.263 69 E HA 0.415 4.779 4.350 0.024 0.000 0.264 69 E C -2.317 174.249 176.600 -0.057 0.000 0.923 69 E CA -2.040 54.339 56.400 -0.034 0.000 0.802 69 E CB 1.926 31.610 29.700 -0.025 0.000 1.228 69 E HN 0.282 nan 8.360 nan 0.000 0.417 70 P HA 0.048 nan 4.420 nan 0.000 0.268 70 P C 0.349 177.596 177.300 -0.089 0.000 1.282 70 P CA 0.577 63.636 63.100 -0.067 0.000 0.880 70 P CB 0.226 31.901 31.700 -0.042 0.000 0.971 71 G N 3.035 111.735 108.800 -0.166 0.000 2.316 71 G HA2 -0.120 3.855 3.960 0.024 0.000 0.203 71 G HA3 -0.120 3.855 3.960 0.024 0.000 0.203 71 G C -0.191 174.521 174.900 -0.314 0.000 0.999 71 G CA 0.150 45.101 45.100 -0.249 0.000 0.649 71 G HN 0.724 nan 8.290 nan 0.000 0.489 72 Q N -1.111 118.586 119.800 -0.172 0.000 2.633 72 Q HA 0.696 5.050 4.340 0.024 0.000 0.289 72 Q C -1.559 174.408 176.000 -0.054 0.000 0.940 72 Q CA -1.121 54.624 55.803 -0.096 0.000 0.785 72 Q CB 2.138 30.881 28.738 0.009 0.000 1.467 72 Q HN 0.567 nan 8.270 nan 0.000 0.401 73 V N 0.959 120.861 119.914 -0.021 0.000 2.487 73 V HA 0.750 4.884 4.120 0.024 0.000 0.298 73 V C 0.226 176.333 176.094 0.022 0.000 1.028 73 V CA -0.232 62.065 62.300 -0.006 0.000 0.860 73 V CB 1.663 33.480 31.823 -0.010 0.000 0.991 73 V HN 0.867 nan 8.190 nan 0.000 0.427 74 G N 5.156 113.967 108.800 0.018 0.000 2.358 74 G HA2 0.614 4.588 3.960 0.024 0.000 0.273 74 G HA3 0.614 4.588 3.960 0.024 0.000 0.273 74 G C -0.673 174.246 174.900 0.032 0.000 1.215 74 G CA -0.129 44.985 45.100 0.023 0.000 0.910 74 G HN 0.613 nan 8.290 nan 0.000 0.467 75 I N 2.352 122.953 120.570 0.051 0.000 2.478 75 I HA 0.184 4.369 4.170 0.024 0.000 0.287 75 I C -0.434 175.699 176.117 0.026 0.000 1.042 75 I CA -0.923 60.421 61.300 0.073 0.000 1.067 75 I CB 2.546 40.650 38.000 0.172 0.000 1.233 75 I HN 0.095 nan 8.210 nan 0.000 0.431 76 V N 7.099 126.984 119.914 -0.048 0.000 2.383 76 V HA 0.347 4.481 4.120 0.024 0.000 0.275 76 V C 0.249 176.162 176.094 -0.301 0.000 1.036 76 V CA -0.448 61.755 62.300 -0.162 0.000 0.889 76 V CB 1.427 33.137 31.823 -0.188 0.000 0.985 76 V HN 0.447 nan 8.190 nan 0.000 0.459 77 L N 5.262 126.332 121.223 -0.255 0.000 2.371 77 L HA 0.376 4.731 4.340 0.024 0.000 0.272 77 L C 0.112 176.802 176.870 -0.299 0.000 1.124 77 L CA -0.163 54.533 54.840 -0.239 0.000 0.816 77 L CB 0.426 42.361 42.059 -0.207 0.000 1.129 77 L HN 0.524 nan 8.230 nan 0.000 0.448 78 F N 1.342 121.320 119.950 0.046 0.000 2.798 78 F HA 0.392 4.933 4.527 0.024 0.000 0.291 78 F C 1.074 176.893 175.800 0.032 0.000 1.174 78 F CA -0.231 57.805 58.000 0.060 0.000 1.392 78 F CB 0.224 39.273 39.000 0.082 0.000 0.966 78 F HN 0.554 nan 8.300 nan 0.000 0.509 79 G N -1.147 107.714 108.800 0.102 0.000 2.650 79 G HA2 0.330 4.304 3.960 0.024 0.000 0.310 79 G HA3 0.330 4.304 3.960 0.024 0.000 0.310 79 G C -1.272 173.627 174.900 -0.003 0.000 1.270 79 G CA -0.729 44.406 45.100 0.058 0.000 0.810 79 G HN -0.087 nan 8.290 nan 0.000 0.493 80 S N -0.565 115.128 115.700 -0.011 0.000 2.528 80 S HA 0.255 4.739 4.470 0.024 0.000 0.277 80 S C 0.994 175.557 174.600 -0.061 0.000 1.297 80 S CA 0.217 58.401 58.200 -0.026 0.000 1.052 80 S CB 0.690 63.883 63.200 -0.012 0.000 0.917 80 S HN 0.397 nan 8.310 nan 0.000 0.492 81 D N 3.447 123.808 120.400 -0.064 0.000 2.149 81 D HA -0.193 4.462 4.640 0.024 0.000 0.194 81 D C 1.919 178.172 176.300 -0.079 0.000 1.001 81 D CA 1.594 55.544 54.000 -0.083 0.000 0.849 81 D CB -0.167 40.598 40.800 -0.060 0.000 0.939 81 D HN 0.717 nan 8.370 nan 0.000 0.449 82 R N 0.345 120.814 120.500 -0.051 0.000 2.153 82 R HA -0.145 4.210 4.340 0.024 0.000 0.252 82 R C 1.291 177.564 176.300 -0.044 0.000 1.158 82 R CA 1.030 57.108 56.100 -0.038 0.000 0.975 82 R CB -0.283 30.003 30.300 -0.023 0.000 0.871 82 R HN 0.259 nan 8.270 nan 0.000 0.450 83 L N 0.911 122.097 121.223 -0.062 0.000 2.682 83 L HA 0.188 4.542 4.340 0.024 0.000 0.240 83 L C -0.657 176.153 176.870 -0.099 0.000 1.178 83 L CA -0.361 54.444 54.840 -0.059 0.000 0.970 83 L CB 0.563 42.594 42.059 -0.048 0.000 1.179 83 L HN -0.076 nan 8.230 nan 0.000 0.435 84 V N -0.097 119.748 119.914 -0.116 0.000 2.524 84 V HA 0.298 4.433 4.120 0.024 0.000 0.297 84 V C -0.131 175.946 176.094 -0.028 0.000 1.035 84 V CA -0.884 61.346 62.300 -0.116 0.000 0.867 84 V CB 1.960 33.594 31.823 -0.314 0.000 1.004 84 V HN 0.173 nan 8.190 nan 0.000 0.426 85 K N 2.364 122.781 120.400 0.028 0.000 2.095 85 K HA 0.482 4.817 4.320 0.024 0.000 0.252 85 K C 0.031 176.664 176.600 0.055 0.000 0.977 85 K CA -0.733 55.572 56.287 0.031 0.000 0.900 85 K CB 2.119 34.637 32.500 0.029 0.000 1.060 85 K HN 0.772 nan 8.250 nan 0.000 0.449 86 E N 0.199 120.424 120.200 0.040 0.000 2.415 86 E HA -0.008 4.356 4.350 0.024 0.000 0.262 86 E C 0.570 177.196 176.600 0.043 0.000 1.038 86 E CA 1.061 57.489 56.400 0.046 0.000 0.921 86 E CB 0.394 30.110 29.700 0.028 0.000 0.950 86 E HN 0.770 nan 8.360 nan 0.000 0.438 87 G N 3.728 112.555 108.800 0.045 0.000 2.317 87 G HA2 -0.285 3.689 3.960 0.024 0.000 0.227 87 G HA3 -0.285 3.689 3.960 0.024 0.000 0.227 87 G C 0.230 175.157 174.900 0.046 0.000 1.042 87 G CA 0.252 45.370 45.100 0.031 0.000 0.623 87 G HN 0.637 nan 8.290 nan 0.000 0.509 88 E N 0.140 120.384 120.200 0.073 0.000 2.468 88 E HA 0.301 4.666 4.350 0.024 0.000 0.263 88 E C 0.147 176.792 176.600 0.075 0.000 1.192 88 E CA -0.057 56.397 56.400 0.090 0.000 1.016 88 E CB 0.649 30.436 29.700 0.146 0.000 0.980 88 E HN 0.292 nan 8.360 nan 0.000 0.467 89 L N 1.131 122.387 121.223 0.055 0.000 2.375 89 L HA 0.164 4.519 4.340 0.024 0.000 0.271 89 L C -0.794 176.031 176.870 -0.075 0.000 1.107 89 L CA -0.125 54.718 54.840 0.004 0.000 0.806 89 L CB 1.492 43.553 42.059 0.003 0.000 1.146 89 L HN 0.188 nan 8.230 nan 0.000 0.447 90 V N 3.345 123.168 119.914 -0.152 0.000 2.419 90 V HA 0.368 4.503 4.120 0.024 0.000 0.287 90 V C -0.324 175.637 176.094 -0.221 0.000 1.017 90 V CA -0.989 61.098 62.300 -0.355 0.000 0.844 90 V CB 1.151 32.718 31.823 -0.426 0.000 1.011 90 V HN 0.593 nan 8.190 nan 0.000 0.429 91 K N 3.852 124.134 120.400 -0.196 0.000 2.234 91 K HA 0.501 4.836 4.320 0.024 0.000 0.282 91 K C 0.398 176.941 176.600 -0.096 0.000 1.039 91 K CA -0.505 55.719 56.287 -0.104 0.000 0.928 91 K CB 1.224 33.688 32.500 -0.060 0.000 1.039 91 K HN 0.555 nan 8.250 nan 0.000 0.470 92 R N 0.673 121.136 120.500 -0.061 0.000 2.827 92 R HA 0.018 4.372 4.340 0.024 0.000 0.269 92 R C 0.501 176.788 176.300 -0.020 0.000 1.048 92 R CA 0.403 56.480 56.100 -0.038 0.000 1.173 92 R CB 0.492 30.776 30.300 -0.026 0.000 1.070 92 R HN 0.678 nan 8.270 nan 0.000 0.498 93 T N -0.838 113.712 114.554 -0.006 0.000 2.964 93 T HA 0.142 4.507 4.350 0.024 0.000 0.249 93 T C 0.995 175.697 174.700 0.004 0.000 1.000 93 T CA 0.377 62.479 62.100 0.004 0.000 0.992 93 T CB 0.708 69.586 68.868 0.017 0.000 1.087 93 T HN 0.880 nan 8.240 nan 0.000 0.489 94 G N 2.728 111.530 108.800 0.003 0.000 2.153 94 G HA2 -0.222 3.753 3.960 0.024 0.000 0.252 94 G HA3 -0.222 3.753 3.960 0.024 0.000 0.252 94 G C -0.249 174.656 174.900 0.008 0.000 0.994 94 G CA -0.175 44.927 45.100 0.004 0.000 0.698 94 G HN 0.472 nan 8.290 nan 0.000 0.521 95 N N 0.048 118.756 118.700 0.013 0.000 2.371 95 N HA 0.417 5.171 4.740 0.024 0.000 0.291 95 N C 0.344 175.868 175.510 0.025 0.000 1.053 95 N CA -0.738 52.321 53.050 0.015 0.000 0.870 95 N CB 1.335 39.828 38.487 0.011 0.000 1.503 95 N HN 0.004 nan 8.380 nan 0.000 0.485 96 I N 1.326 121.910 120.570 0.023 0.000 2.932 96 I HA -0.061 4.124 4.170 0.024 0.000 0.295 96 I C 0.976 177.111 176.117 0.030 0.000 1.227 96 I CA -0.036 61.282 61.300 0.030 0.000 1.429 96 I CB -0.064 37.948 38.000 0.020 0.000 1.339 96 I HN 0.188 nan 8.210 nan 0.000 0.589 97 V N 6.628 126.571 119.914 0.049 0.000 2.506 97 V HA -0.043 4.091 4.120 0.024 0.000 0.296 97 V C 0.358 176.450 176.094 -0.003 0.000 1.004 97 V CA 0.321 62.641 62.300 0.034 0.000 1.150 97 V CB -0.599 31.274 31.823 0.084 0.000 0.911 97 V HN 0.911 nan 8.190 nan 0.000 0.476 98 D N 4.276 124.662 120.400 -0.024 0.000 2.592 98 D HA 0.694 5.349 4.640 0.024 0.000 0.263 98 D C -0.764 175.514 176.300 -0.037 0.000 1.132 98 D CA -0.587 53.401 54.000 -0.020 0.000 0.996 98 D CB 2.235 43.030 40.800 -0.008 0.000 1.442 98 D HN 0.324 nan 8.370 nan 0.000 0.486 99 V N -3.754 116.146 119.914 -0.024 0.000 2.914 99 V HA 0.619 4.754 4.120 0.024 0.000 0.314 99 V C -2.788 173.288 176.094 -0.029 0.000 1.084 99 V CA -2.428 59.854 62.300 -0.030 0.000 0.963 99 V CB 1.604 33.416 31.823 -0.019 0.000 1.025 99 V HN 0.412 nan 8.190 nan 0.000 0.432 100 P HA 0.286 nan 4.420 nan 0.000 0.270 100 P C -0.204 177.053 177.300 -0.072 0.000 1.242 100 P CA 0.183 63.248 63.100 -0.058 0.000 0.768 100 P CB 0.797 32.460 31.700 -0.061 0.000 0.820 101 V N 1.284 121.138 119.914 -0.099 0.000 3.345 101 V HA 1.003 5.137 4.120 0.024 0.000 0.308 101 V C 0.385 176.243 176.094 -0.393 0.000 1.168 101 V CA -0.251 61.961 62.300 -0.145 0.000 1.024 101 V CB 0.755 32.558 31.823 -0.033 0.000 1.211 101 V HN 0.877 nan 8.190 nan 0.000 0.461 102 G N 0.069 108.443 108.800 -0.710 0.000 2.603 102 G HA2 -0.011 3.964 3.960 0.024 0.000 0.686 102 G HA3 -0.011 3.964 3.960 0.024 0.000 0.686 102 G C -2.023 172.297 174.900 -0.966 0.000 1.286 102 G CA -0.109 44.117 45.100 -1.457 0.000 0.871 102 G HN 0.794 nan 8.290 nan 0.000 0.568 103 P HA 0.017 nan 4.420 nan 0.000 0.223 103 P C 1.778 178.940 177.300 -0.231 0.000 1.151 103 P CA 1.716 64.499 63.100 -0.529 0.000 0.787 103 P CB -0.166 31.237 31.700 -0.496 0.000 0.788 104 G N -0.292 108.349 108.800 -0.265 0.000 2.708 104 G HA2 -0.098 3.877 3.960 0.024 0.000 0.210 104 G HA3 -0.098 3.877 3.960 0.024 0.000 0.210 104 G C 1.210 176.056 174.900 -0.090 0.000 1.141 104 G CA 0.156 45.172 45.100 -0.141 0.000 0.788 104 G HN 0.207 nan 8.290 nan 0.000 0.531 105 L N -0.259 120.913 121.223 -0.085 0.000 2.408 105 L HA 0.315 4.670 4.340 0.024 0.000 0.215 105 L C 0.747 177.631 176.870 0.023 0.000 1.081 105 L CA -0.123 54.699 54.840 -0.030 0.000 0.840 105 L CB -0.185 41.857 42.059 -0.028 0.000 1.002 105 L HN 0.003 nan 8.230 nan 0.000 0.468 106 L N 1.207 122.470 121.223 0.066 0.000 2.678 106 L HA 0.071 4.426 4.340 0.024 0.000 0.285 106 L C 1.506 178.413 176.870 0.062 0.000 1.233 106 L CA 1.490 56.398 54.840 0.112 0.000 0.920 106 L CB -0.955 41.219 42.059 0.193 0.000 1.176 106 L HN 0.492 nan 8.230 nan 0.000 0.495 107 G N 2.487 111.310 108.800 0.038 0.000 2.199 107 G HA2 -0.231 3.744 3.960 0.024 0.000 0.254 107 G HA3 -0.231 3.744 3.960 0.024 0.000 0.254 107 G C 0.618 175.518 174.900 -0.001 0.000 0.982 107 G CA -0.116 44.988 45.100 0.008 0.000 0.632 107 G HN 0.486 nan 8.290 nan 0.000 0.529 108 R N -0.260 120.243 120.500 0.005 0.000 2.596 108 R HA 0.713 5.068 4.340 0.024 0.000 0.267 108 R C -0.336 175.965 176.300 0.002 0.000 1.026 108 R CA -0.684 55.416 56.100 -0.000 0.000 1.087 108 R CB 1.502 31.800 30.300 -0.003 0.000 1.132 108 R HN 0.216 nan 8.270 nan 0.000 0.531 109 V N 2.347 122.262 119.914 0.002 0.000 2.378 109 V HA 0.344 4.479 4.120 0.024 0.000 0.288 109 V C -0.133 175.966 176.094 0.007 0.000 1.016 109 V CA -0.718 61.587 62.300 0.009 0.000 0.840 109 V CB 1.685 33.514 31.823 0.010 0.000 0.994 109 V HN 0.597 nan 8.190 nan 0.000 0.431 110 V N 1.505 121.424 119.914 0.008 0.000 2.864 110 V HA 0.807 4.942 4.120 0.024 0.000 0.314 110 V C -0.193 175.904 176.094 0.005 0.000 1.073 110 V CA -0.893 61.408 62.300 0.002 0.000 0.956 110 V CB 2.001 33.819 31.823 -0.007 0.000 1.023 110 V HN 0.797 nan 8.190 nan 0.000 0.435 111 D N 2.800 123.200 120.400 0.001 0.000 2.356 111 D HA 0.418 5.073 4.640 0.024 0.000 0.258 111 D C 1.307 177.600 176.300 -0.012 0.000 1.279 111 D CA 0.334 54.336 54.000 0.003 0.000 1.016 111 D CB 0.654 41.459 40.800 0.008 0.000 1.107 111 D HN 0.807 nan 8.370 nan 0.000 0.544 112 A N -0.830 121.983 122.820 -0.013 0.000 1.933 112 A HA -0.050 4.284 4.320 0.024 0.000 0.218 112 A C 2.334 179.867 177.584 -0.086 0.000 1.175 112 A CA 1.094 53.111 52.037 -0.033 0.000 0.628 112 A CB -0.877 18.119 19.000 -0.006 0.000 0.814 112 A HN 0.525 nan 8.150 nan 0.000 0.444 113 L N -1.921 119.232 121.223 -0.118 0.000 2.558 113 L HA 0.236 4.591 4.340 0.024 0.000 0.225 113 L C 1.764 178.581 176.870 -0.088 0.000 1.128 113 L CA 0.649 55.396 54.840 -0.155 0.000 0.868 113 L CB 0.190 42.123 42.059 -0.209 0.000 1.006 113 L HN 0.590 nan 8.230 nan 0.000 0.454 114 G N -1.023 107.742 108.800 -0.057 0.000 2.278 114 G HA2 -0.229 3.746 3.960 0.024 0.000 0.210 114 G HA3 -0.229 3.746 3.960 0.024 0.000 0.210 114 G C 0.170 175.051 174.900 -0.031 0.000 1.000 114 G CA -0.502 44.574 45.100 -0.041 0.000 0.635 114 G HN 0.332 nan 8.290 nan 0.000 0.495 115 N N 3.078 121.761 118.700 -0.029 0.000 2.412 115 N HA 0.280 5.035 4.740 0.024 0.000 0.254 115 N C -2.679 172.824 175.510 -0.010 0.000 1.232 115 N CA -0.084 52.956 53.050 -0.017 0.000 0.880 115 N CB 1.096 39.577 38.487 -0.010 0.000 1.076 115 N HN 0.277 nan 8.380 nan 0.000 0.458 116 P HA 0.215 nan 4.420 nan 0.000 0.284 116 P C 0.318 177.619 177.300 0.001 0.000 1.253 116 P CA -0.272 62.825 63.100 -0.005 0.000 0.800 116 P CB 0.709 32.404 31.700 -0.007 0.000 0.961 117 I N -1.260 119.312 120.570 0.004 0.000 4.338 117 I HA 0.233 4.417 4.170 0.024 0.000 0.329 117 I C 0.499 176.620 176.117 0.007 0.000 1.378 117 I CA -0.138 61.167 61.300 0.008 0.000 1.170 117 I CB 0.008 38.015 38.000 0.012 0.000 1.206 117 I HN 0.033 nan 8.210 nan 0.000 0.432 118 D N 1.588 121.990 120.400 0.004 0.000 2.328 118 D HA 0.133 4.788 4.640 0.024 0.000 0.226 118 D C 1.619 177.919 176.300 0.001 0.000 1.066 118 D CA 0.446 54.447 54.000 0.002 0.000 0.861 118 D CB -0.104 40.696 40.800 -0.001 0.000 0.912 118 D HN 0.433 nan 8.370 nan 0.000 0.521 119 G N 1.019 109.820 108.800 0.001 0.000 2.225 119 G HA2 -0.347 3.628 3.960 0.024 0.000 0.267 119 G HA3 -0.347 3.628 3.960 0.024 0.000 0.267 119 G C 0.518 175.417 174.900 -0.001 0.000 1.024 119 G CA 0.357 45.458 45.100 0.001 0.000 0.784 119 G HN 0.477 nan 8.290 nan 0.000 0.507 120 K N 0.217 120.616 120.400 -0.002 0.000 2.576 120 K HA 0.473 4.808 4.320 0.024 0.000 0.209 120 K C 1.226 177.823 176.600 -0.005 0.000 1.049 120 K CA 0.117 56.402 56.287 -0.004 0.000 1.140 120 K CB 0.600 33.098 32.500 -0.004 0.000 0.871 120 K HN 1.450 nan 8.250 nan 0.000 0.479 121 G N 2.465 111.262 108.800 -0.005 0.000 2.710 121 G HA2 -0.189 3.785 3.960 0.024 0.000 0.668 121 G HA3 -0.189 3.785 3.960 0.024 0.000 0.668 121 G C -2.800 172.095 174.900 -0.009 0.000 1.320 121 G CA -1.283 43.813 45.100 -0.006 0.000 0.860 121 G HN 0.024 nan 8.290 nan 0.000 0.538 122 P HA 0.372 nan 4.420 nan 0.000 0.268 122 P C 0.435 177.722 177.300 -0.022 0.000 1.208 122 P CA -0.456 62.635 63.100 -0.015 0.000 0.777 122 P CB 0.359 32.050 31.700 -0.015 0.000 0.875 123 I N 2.048 122.601 120.570 -0.028 0.000 2.471 123 I HA 0.004 4.188 4.170 0.024 0.000 0.286 123 I C 0.806 176.893 176.117 -0.050 0.000 1.079 123 I CA -0.052 61.225 61.300 -0.039 0.000 1.398 123 I CB 0.026 38.000 38.000 -0.043 0.000 1.403 123 I HN 0.371 nan 8.210 nan 0.000 0.530 124 D N 6.263 126.628 120.400 -0.058 0.000 2.489 124 D HA 0.195 4.850 4.640 0.024 0.000 0.237 124 D C 0.221 176.456 176.300 -0.108 0.000 1.212 124 D CA -0.058 53.899 54.000 -0.072 0.000 1.058 124 D CB 0.101 40.861 40.800 -0.067 0.000 1.098 124 D HN 0.569 nan 8.370 nan 0.000 0.509 125 A N 2.967 125.729 122.820 -0.097 0.000 2.395 125 A HA 0.502 4.837 4.320 0.024 0.000 0.286 125 A C 1.445 178.945 177.584 -0.140 0.000 1.193 125 A CA 0.097 52.062 52.037 -0.120 0.000 0.852 125 A CB 0.547 19.497 19.000 -0.083 0.000 1.118 125 A HN 0.597 nan 8.150 nan 0.000 0.524 126 A N 2.752 125.437 122.820 -0.225 0.000 2.015 126 A HA 0.444 4.778 4.320 0.024 0.000 0.219 126 A C 1.330 178.842 177.584 -0.120 0.000 1.163 126 A CA 1.702 53.605 52.037 -0.224 0.000 0.646 126 A CB -0.336 18.386 19.000 -0.464 0.000 0.806 126 A HN 2.284 nan 8.150 nan 0.000 0.448 127 G N -2.001 106.728 108.800 -0.117 0.000 2.327 127 G HA2 0.448 4.422 3.960 0.024 0.000 0.291 127 G HA3 0.448 4.422 3.960 0.024 0.000 0.291 127 G C -1.334 173.538 174.900 -0.046 0.000 1.290 127 G CA -0.975 44.096 45.100 -0.048 0.000 0.857 127 G HN 0.317 nan 8.290 nan 0.000 0.520 128 R N -0.553 119.940 120.500 -0.011 0.000 2.750 128 R HA 0.793 5.147 4.340 0.024 0.000 0.281 128 R C -0.923 175.388 176.300 0.018 0.000 0.972 128 R CA -0.700 55.396 56.100 -0.007 0.000 0.912 128 R CB 2.271 32.563 30.300 -0.012 0.000 1.187 128 R HN 0.491 nan 8.270 nan 0.000 0.464 129 S N 0.894 116.607 115.700 0.021 0.000 2.570 129 S HA 0.447 4.932 4.470 0.024 0.000 0.286 129 S C -0.572 174.040 174.600 0.021 0.000 1.099 129 S CA -0.892 57.328 58.200 0.034 0.000 0.913 129 S CB 1.981 65.217 63.200 0.060 0.000 1.085 129 S HN 0.397 nan 8.310 nan 0.000 0.480 130 R N 0.809 121.320 120.500 0.019 0.000 2.590 130 R HA 0.245 4.600 4.340 0.024 0.000 0.274 130 R C 1.356 177.663 176.300 0.012 0.000 1.061 130 R CA 0.151 56.258 56.100 0.010 0.000 1.081 130 R CB 0.253 30.556 30.300 0.007 0.000 0.984 130 R HN 0.803 nan 8.270 nan 0.000 0.448 131 A N 3.668 126.488 122.820 0.000 0.000 1.883 131 A HA -0.138 4.197 4.320 0.024 0.000 0.217 131 A C 0.444 178.023 177.584 -0.008 0.000 1.186 131 A CA 1.266 53.307 52.037 0.006 0.000 0.624 131 A CB 0.035 19.025 19.000 -0.017 0.000 0.822 131 A HN 0.597 nan 8.150 nan 0.000 0.444 132 Q N 0.235 119.992 119.800 -0.072 0.000 2.340 132 Q HA 0.531 4.886 4.340 0.024 0.000 0.259 132 Q C -1.202 174.772 176.000 -0.043 0.000 0.964 132 Q CA -0.192 55.539 55.803 -0.121 0.000 0.900 132 Q CB 1.645 30.256 28.738 -0.213 0.000 1.228 132 Q HN 0.225 nan 8.270 nan 0.000 0.449 133 V N 1.234 121.140 119.914 -0.014 0.000 2.962 133 V HA 0.418 4.553 4.120 0.024 0.000 0.313 133 V C -0.140 175.960 176.094 0.010 0.000 1.099 133 V CA -1.221 61.082 62.300 0.006 0.000 0.971 133 V CB 2.345 34.181 31.823 0.022 0.000 1.028 133 V HN 0.604 nan 8.190 nan 0.000 0.430 134 K N 1.950 122.359 120.400 0.016 0.000 2.350 134 K HA 0.594 4.928 4.320 0.024 0.000 0.279 134 K C 0.330 176.944 176.600 0.024 0.000 1.027 134 K CA 0.038 56.341 56.287 0.025 0.000 0.969 134 K CB 0.923 33.440 32.500 0.029 0.000 0.954 134 K HN 1.006 nan 8.250 nan 0.000 0.474 135 A N 5.565 128.401 122.820 0.026 0.000 2.483 135 A HA 0.235 4.570 4.320 0.024 0.000 0.238 135 A C -2.150 175.446 177.584 0.020 0.000 1.070 135 A CA -1.103 50.948 52.037 0.023 0.000 0.770 135 A CB -0.411 18.602 19.000 0.022 0.000 1.008 135 A HN 0.586 nan 8.150 nan 0.000 0.497 136 P HA 0.231 nan 4.420 nan 0.000 0.267 136 P C 0.793 178.101 177.300 0.013 0.000 1.200 136 P CA 0.466 63.571 63.100 0.009 0.000 0.772 136 P CB 0.472 32.174 31.700 0.002 0.000 0.855 137 G N 1.140 109.948 108.800 0.012 0.000 2.529 137 G HA2 0.040 4.014 3.960 0.024 0.000 0.277 137 G HA3 0.040 4.014 3.960 0.024 0.000 0.277 137 G C 0.942 175.852 174.900 0.015 0.000 1.383 137 G CA -0.393 44.717 45.100 0.016 0.000 1.050 137 G HN 0.371 nan 8.290 nan 0.000 0.526 138 I N -0.974 119.606 120.570 0.016 0.000 2.394 138 I HA -0.040 4.144 4.170 0.024 0.000 0.251 138 I C 2.433 178.559 176.117 0.013 0.000 1.136 138 I CA 0.652 61.962 61.300 0.017 0.000 1.425 138 I CB -0.246 37.764 38.000 0.017 0.000 1.079 138 I HN 0.244 nan 8.210 nan 0.000 0.425 139 L N 0.568 121.798 121.223 0.010 0.000 2.145 139 L HA 0.098 4.452 4.340 0.024 0.000 0.201 139 L C -0.740 176.133 176.870 0.006 0.000 1.075 139 L CA 1.416 56.260 54.840 0.008 0.000 0.773 139 L CB -1.388 40.674 42.059 0.005 0.000 0.936 139 L HN 0.128 nan 8.230 nan 0.000 0.451 140 P HA 0.006 nan 4.420 nan 0.000 0.252 140 P C -0.441 176.859 177.300 0.000 0.000 1.265 140 P CA 0.514 63.613 63.100 -0.002 0.000 0.775 140 P CB -0.006 31.690 31.700 -0.007 0.000 1.128 141 R N 0.090 120.594 120.500 0.008 0.000 2.668 141 R HA 0.575 4.929 4.340 0.024 0.000 0.279 141 R C 0.236 176.549 176.300 0.022 0.000 0.976 141 R CA -0.755 55.352 56.100 0.013 0.000 0.978 141 R CB 1.832 32.142 30.300 0.015 0.000 1.133 141 R HN -0.089 nan 8.270 nan 0.000 0.484 142 R N 0.839 121.359 120.500 0.032 0.000 2.621 142 R HA 0.224 4.579 4.340 0.024 0.000 0.292 142 R C -0.739 175.602 176.300 0.068 0.000 0.969 142 R CA -0.484 55.648 56.100 0.054 0.000 0.887 142 R CB 1.835 32.181 30.300 0.076 0.000 1.180 142 R HN 0.905 nan 8.270 nan 0.000 0.450 143 S N 2.124 117.868 115.700 0.073 0.000 2.552 143 S HA 0.056 4.541 4.470 0.024 0.000 0.289 143 S C 0.727 175.400 174.600 0.121 0.000 1.304 143 S CA -0.844 57.402 58.200 0.076 0.000 1.063 143 S CB 0.680 63.917 63.200 0.063 0.000 0.848 143 S HN 0.425 nan 8.310 nan 0.000 0.499 144 V N 2.392 122.349 119.914 0.071 0.000 2.585 144 V HA 0.316 4.450 4.120 0.024 0.000 0.296 144 V C 1.215 177.352 176.094 0.072 0.000 1.035 144 V CA 0.173 62.489 62.300 0.027 0.000 1.084 144 V CB -0.309 31.509 31.823 -0.009 0.000 0.953 144 V HN 1.162 nan 8.190 nan 0.000 0.483 145 H N 1.323 120.389 119.070 -0.006 0.000 3.329 145 H HA 0.328 4.898 4.556 0.024 0.000 0.234 145 H C 0.207 175.511 175.328 -0.041 0.000 0.957 145 H CA -0.148 55.889 56.048 -0.018 0.000 1.066 145 H CB 0.333 30.087 29.762 -0.013 0.000 1.435 145 H HN 0.654 nan 8.280 nan 0.000 0.513 146 E N 5.460 125.362 120.200 -0.497 0.000 2.299 146 E HA 0.191 4.556 4.350 0.024 0.000 0.272 146 E C -2.363 174.093 176.600 -0.239 0.000 1.043 146 E CA -1.911 54.286 56.400 -0.338 0.000 0.895 146 E CB 1.082 30.508 29.700 -0.455 0.000 1.011 146 E HN 0.319 nan 8.360 nan 0.000 0.432 147 P HA -0.003 nan 4.420 nan 0.000 0.276 147 P C -0.472 176.693 177.300 -0.224 0.000 1.230 147 P CA -0.192 62.808 63.100 -0.167 0.000 0.776 147 P CB 0.846 32.465 31.700 -0.136 0.000 0.888 148 V N 4.897 124.716 119.914 -0.158 0.000 2.353 148 V HA 0.084 4.219 4.120 0.024 0.000 0.264 148 V C 0.711 176.741 176.094 -0.106 0.000 1.049 148 V CA -0.170 62.038 62.300 -0.152 0.000 0.896 148 V CB 0.387 32.155 31.823 -0.092 0.000 1.025 148 V HN 0.472 nan 8.190 nan 0.000 0.475 149 Q N 2.973 122.690 119.800 -0.139 0.000 2.307 149 Q HA 0.187 4.542 4.340 0.024 0.000 0.259 149 Q C 1.295 177.334 176.000 0.065 0.000 0.998 149 Q CA 0.151 55.945 55.803 -0.016 0.000 0.923 149 Q CB 1.632 30.389 28.738 0.033 0.000 1.196 149 Q HN 0.965 nan 8.270 nan 0.000 0.416 150 T N -1.364 113.225 114.554 0.058 0.000 3.009 150 T HA 0.139 4.504 4.350 0.024 0.000 0.258 150 T C 1.223 175.967 174.700 0.073 0.000 1.063 150 T CA 0.720 62.854 62.100 0.056 0.000 1.139 150 T CB 0.173 69.061 68.868 0.033 0.000 0.890 150 T HN 0.763 nan 8.240 nan 0.000 0.471 151 G N 1.236 110.085 108.800 0.081 0.000 2.175 151 G HA2 -0.176 3.798 3.960 0.024 0.000 0.244 151 G HA3 -0.176 3.798 3.960 0.024 0.000 0.244 151 G C -0.091 174.836 174.900 0.044 0.000 0.982 151 G CA 0.078 45.218 45.100 0.068 0.000 0.641 151 G HN 0.634 nan 8.290 nan 0.000 0.527 152 L N 0.781 122.027 121.223 0.039 0.000 2.257 152 L HA 0.422 4.777 4.340 0.024 0.000 0.290 152 L C 1.704 178.597 176.870 0.039 0.000 1.044 152 L CA -0.826 54.032 54.840 0.031 0.000 0.810 152 L CB 1.226 43.298 42.059 0.022 0.000 1.193 152 L HN 0.057 nan 8.230 nan 0.000 0.425 153 K N 2.441 122.866 120.400 0.042 0.000 2.044 153 K HA -0.250 4.084 4.320 0.024 0.000 0.210 153 K C 2.020 178.652 176.600 0.053 0.000 1.049 153 K CA 1.856 58.172 56.287 0.050 0.000 0.927 153 K CB -0.190 32.343 32.500 0.055 0.000 0.713 153 K HN 0.804 nan 8.250 nan 0.000 0.443 154 A N 0.962 123.812 122.820 0.051 0.000 1.902 154 A HA -0.136 4.199 4.320 0.024 0.000 0.217 154 A C 2.412 180.027 177.584 0.051 0.000 1.181 154 A CA 1.664 53.734 52.037 0.055 0.000 0.623 154 A CB -0.628 18.404 19.000 0.053 0.000 0.818 154 A HN 0.093 nan 8.150 nan 0.000 0.443 155 V N 0.389 120.329 119.914 0.043 0.000 2.255 155 V HA -0.171 3.964 4.120 0.024 0.000 0.243 155 V C 1.995 178.112 176.094 0.038 0.000 1.038 155 V CA 2.019 64.342 62.300 0.039 0.000 1.008 155 V CB -0.896 30.945 31.823 0.031 0.000 0.645 155 V HN 0.445 nan 8.190 nan 0.000 0.449 156 D N 0.261 120.684 120.400 0.038 0.000 2.311 156 D HA -0.076 4.578 4.640 0.024 0.000 0.212 156 D C 1.880 178.205 176.300 0.041 0.000 0.972 156 D CA 1.447 55.469 54.000 0.037 0.000 0.887 156 D CB -0.010 40.816 40.800 0.043 0.000 0.915 156 D HN 0.483 nan 8.370 nan 0.000 0.497 157 A N -0.363 122.486 122.820 0.048 0.000 1.909 157 A HA 0.139 4.474 4.320 0.024 0.000 0.209 157 A C 2.113 179.729 177.584 0.054 0.000 1.247 157 A CA 0.241 52.310 52.037 0.053 0.000 0.660 157 A CB -0.199 18.838 19.000 0.062 0.000 0.910 157 A HN 0.163 nan 8.150 nan 0.000 0.465 158 L N -0.366 120.892 121.223 0.057 0.000 2.470 158 L HA 0.146 4.500 4.340 0.024 0.000 0.219 158 L C 0.155 177.057 176.870 0.053 0.000 1.071 158 L CA 0.389 55.266 54.840 0.061 0.000 0.850 158 L CB 0.594 42.695 42.059 0.070 0.000 1.040 158 L HN 0.263 nan 8.230 nan 0.000 0.475 159 V N -2.438 117.504 119.914 0.047 0.000 2.464 159 V HA 0.415 4.550 4.120 0.024 0.000 0.255 159 V C -2.785 173.328 176.094 0.032 0.000 0.946 159 V CA -1.696 60.629 62.300 0.042 0.000 0.988 159 V CB 0.021 31.872 31.823 0.047 0.000 1.210 159 V HN -0.100 nan 8.190 nan 0.000 0.523 160 P HA 0.474 nan 4.420 nan 0.000 0.275 160 P C -0.336 176.968 177.300 0.007 0.000 1.227 160 P CA 0.137 63.246 63.100 0.016 0.000 0.781 160 P CB 1.784 33.492 31.700 0.015 0.000 0.906 161 I N 1.469 122.036 120.570 -0.005 0.000 2.525 161 I HA 0.577 4.761 4.170 0.024 0.000 0.301 161 I C 1.021 177.117 176.117 -0.035 0.000 0.992 161 I CA -0.384 60.909 61.300 -0.012 0.000 1.162 161 I CB 1.948 39.942 38.000 -0.010 0.000 1.332 161 I HN 0.356 nan 8.210 nan 0.000 0.458 162 G N 3.551 112.330 108.800 -0.035 0.000 2.473 162 G HA2 0.511 4.485 3.960 0.024 0.000 0.321 162 G HA3 0.511 4.485 3.960 0.024 0.000 0.321 162 G C -0.706 174.158 174.900 -0.060 0.000 1.200 162 G CA -0.889 44.174 45.100 -0.062 0.000 0.963 162 G HN 0.509 nan 8.290 nan 0.000 0.483 163 R N 0.658 121.104 120.500 -0.091 0.000 2.387 163 R HA 0.376 4.730 4.340 0.024 0.000 0.321 163 R C 1.102 177.406 176.300 0.007 0.000 1.174 163 R CA 0.896 56.978 56.100 -0.031 0.000 1.002 163 R CB 0.239 30.521 30.300 -0.030 0.000 1.028 163 R HN 1.037 nan 8.270 nan 0.000 0.482 164 G N 1.864 110.671 108.800 0.013 0.000 2.480 164 G HA2 -0.242 3.732 3.960 0.024 0.000 0.193 164 G HA3 -0.242 3.732 3.960 0.024 0.000 0.193 164 G C 0.168 175.073 174.900 0.009 0.000 1.004 164 G CA -0.449 44.658 45.100 0.011 0.000 0.696 164 G HN 0.545 nan 8.290 nan 0.000 0.478 165 Q N 0.815 120.617 119.800 0.003 0.000 2.394 165 Q HA 0.598 4.952 4.340 0.024 0.000 0.248 165 Q C -0.079 175.928 176.000 0.012 0.000 0.992 165 Q CA -0.110 55.697 55.803 0.007 0.000 0.888 165 Q CB 0.361 29.100 28.738 0.002 0.000 1.257 165 Q HN 0.441 nan 8.270 nan 0.000 0.462 166 R N 2.355 122.865 120.500 0.016 0.000 2.393 166 R HA 0.307 4.661 4.340 0.024 0.000 0.315 166 R C -1.355 174.956 176.300 0.018 0.000 0.952 166 R CA -0.627 55.485 56.100 0.020 0.000 0.842 166 R CB 1.566 31.876 30.300 0.017 0.000 1.163 166 R HN 0.474 nan 8.270 nan 0.000 0.450 167 E N 3.050 123.262 120.200 0.020 0.000 2.185 167 E HA 0.207 4.572 4.350 0.024 0.000 0.261 167 E C -1.461 175.153 176.600 0.024 0.000 0.879 167 E CA -0.947 55.467 56.400 0.022 0.000 0.756 167 E CB 1.098 30.810 29.700 0.021 0.000 1.152 167 E HN 0.376 nan 8.360 nan 0.000 0.416 168 L N 5.626 126.864 121.223 0.026 0.000 2.410 168 L HA 0.405 4.759 4.340 0.024 0.000 0.273 168 L C -0.867 176.027 176.870 0.040 0.000 1.152 168 L CA 0.318 55.174 54.840 0.026 0.000 0.855 168 L CB 0.346 42.421 42.059 0.027 0.000 1.129 168 L HN 0.635 nan 8.230 nan 0.000 0.463 169 I N 7.209 127.798 120.570 0.032 0.000 2.306 169 I HA 0.366 4.551 4.170 0.024 0.000 0.288 169 I C -0.173 175.965 176.117 0.036 0.000 1.036 169 I CA -0.026 61.292 61.300 0.031 0.000 1.221 169 I CB 0.888 38.896 38.000 0.013 0.000 1.385 169 I HN 0.569 nan 8.210 nan 0.000 0.472 170 I N 5.483 126.099 120.570 0.077 0.000 2.569 170 I HA 0.909 5.094 4.170 0.024 0.000 0.296 170 I C 0.010 176.178 176.117 0.084 0.000 1.028 170 I CA 0.036 61.413 61.300 0.127 0.000 1.082 170 I CB 1.760 39.890 38.000 0.217 0.000 1.264 170 I HN 0.685 nan 8.210 nan 0.000 0.429 171 G N 4.949 113.769 108.800 0.032 0.000 2.340 171 G HA2 0.166 4.140 3.960 0.024 0.000 0.299 171 G HA3 0.166 4.140 3.960 0.024 0.000 0.299 171 G C -1.919 172.948 174.900 -0.055 0.000 1.291 171 G CA -0.646 44.361 45.100 -0.155 0.000 0.841 171 G HN 0.476 nan 8.290 nan 0.000 0.500 172 D N -0.078 120.251 120.400 -0.118 0.000 2.398 172 D HA 0.388 5.042 4.640 0.024 0.000 0.247 172 D C 0.977 177.214 176.300 -0.104 0.000 1.227 172 D CA -0.271 53.688 54.000 -0.067 0.000 0.980 172 D CB 0.706 41.466 40.800 -0.067 0.000 1.106 172 D HN 0.475 nan 8.370 nan 0.000 0.493 173 R N 0.772 121.231 120.500 -0.068 0.000 2.697 173 R HA -0.088 4.266 4.340 0.024 0.000 0.265 173 R C -0.163 176.050 176.300 -0.145 0.000 1.009 173 R CA 0.213 56.268 56.100 -0.075 0.000 1.099 173 R CB 0.179 30.459 30.300 -0.033 0.000 0.965 173 R HN 0.342 nan 8.270 nan 0.000 0.428 174 Q N 1.232 120.939 119.800 -0.156 0.000 2.439 174 Q HA -0.169 4.186 4.340 0.024 0.000 0.361 174 Q C -0.091 175.559 176.000 -0.582 0.000 1.408 174 Q CA 1.609 57.269 55.803 -0.238 0.000 1.052 174 Q CB -1.226 27.443 28.738 -0.115 0.000 1.233 174 Q HN 0.898 nan 8.270 nan 0.000 0.347 175 T N -4.474 109.694 114.554 -0.644 0.000 3.170 175 T HA 0.453 4.817 4.350 0.024 0.000 0.288 175 T C 1.010 175.254 174.700 -0.759 0.000 0.992 175 T CA 0.450 61.918 62.100 -1.053 0.000 0.909 175 T CB 1.084 69.612 68.868 -0.568 0.000 1.133 175 T HN 0.868 nan 8.240 nan 0.000 0.530 176 G N 2.252 110.810 108.800 -0.405 0.000 2.137 176 G HA2 -0.300 3.675 3.960 0.024 0.000 0.237 176 G HA3 -0.300 3.675 3.960 0.024 0.000 0.237 176 G C 0.815 175.681 174.900 -0.056 0.000 1.002 176 G CA 0.433 45.511 45.100 -0.037 0.000 0.702 176 G HN 0.542 nan 8.290 nan 0.000 0.515 177 K N -0.436 119.903 120.400 -0.102 0.000 1.991 177 K HA -0.106 4.229 4.320 0.024 0.000 0.212 177 K C 2.570 179.159 176.600 -0.019 0.000 1.049 177 K CA 1.983 58.234 56.287 -0.059 0.000 0.932 177 K CB -0.512 31.951 32.500 -0.062 0.000 0.717 177 K HN 0.356 nan 8.250 nan 0.000 0.441 178 T N 1.426 115.977 114.554 -0.005 0.000 2.803 178 T HA -0.147 4.217 4.350 0.024 0.000 0.269 178 T C 2.048 176.736 174.700 -0.020 0.000 1.052 178 T CA 1.260 63.377 62.100 0.028 0.000 1.136 178 T CB -0.338 68.559 68.868 0.048 0.000 0.864 178 T HN 0.354 nan 8.240 nan 0.000 0.467 179 A N 1.241 124.033 122.820 -0.047 0.000 1.892 179 A HA -0.111 4.223 4.320 0.024 0.000 0.218 179 A C 2.604 180.130 177.584 -0.097 0.000 1.188 179 A CA 1.714 53.688 52.037 -0.105 0.000 0.631 179 A CB -1.154 17.795 19.000 -0.085 0.000 0.822 179 A HN 0.378 nan 8.150 nan 0.000 0.447 180 V N -0.324 119.562 119.914 -0.047 0.000 2.343 180 V HA -0.237 3.898 4.120 0.024 0.000 0.247 180 V C 3.030 179.114 176.094 -0.016 0.000 1.051 180 V CA 1.954 64.238 62.300 -0.027 0.000 1.036 180 V CB -1.250 30.567 31.823 -0.009 0.000 0.654 180 V HN 0.641 nan 8.190 nan 0.000 0.451 181 A N -0.350 122.469 122.820 -0.001 0.000 1.898 181 A HA -0.164 4.170 4.320 0.024 0.000 0.216 181 A C 2.148 179.728 177.584 -0.007 0.000 1.181 181 A CA 1.916 53.968 52.037 0.024 0.000 0.620 181 A CB -0.530 18.524 19.000 0.090 0.000 0.819 181 A HN 0.426 nan 8.150 nan 0.000 0.442 182 L N 0.041 121.230 121.223 -0.057 0.000 2.056 182 L HA -0.121 4.234 4.340 0.024 0.000 0.207 182 L C 1.618 178.436 176.870 -0.087 0.000 1.078 182 L CA 2.370 57.145 54.840 -0.109 0.000 0.749 182 L CB -0.690 41.279 42.059 -0.150 0.000 0.901 182 L HN 0.317 nan 8.230 nan 0.000 0.433 183 D N -1.318 119.024 120.400 -0.095 0.000 2.144 183 D HA -0.153 4.502 4.640 0.024 0.000 0.199 183 D C 2.084 178.385 176.300 0.000 0.000 0.984 183 D CA 1.588 55.550 54.000 -0.062 0.000 0.834 183 D CB -0.167 40.584 40.800 -0.082 0.000 0.955 183 D HN 0.329 nan 8.370 nan 0.000 0.465 184 T N 0.665 115.223 114.554 0.007 0.000 2.652 184 T HA -0.110 4.255 4.350 0.024 0.000 0.267 184 T C 2.144 176.886 174.700 0.069 0.000 1.039 184 T CA 0.771 62.894 62.100 0.039 0.000 1.153 184 T CB -0.293 68.591 68.868 0.028 0.000 0.863 184 T HN 0.172 nan 8.240 nan 0.000 0.428 185 I N 0.701 121.305 120.570 0.056 0.000 2.286 185 I HA -0.141 4.044 4.170 0.024 0.000 0.248 185 I C 2.227 178.446 176.117 0.171 0.000 1.115 185 I CA 1.071 62.433 61.300 0.104 0.000 1.392 185 I CB -0.459 37.553 38.000 0.019 0.000 1.065 185 I HN 0.211 nan 8.210 nan 0.000 0.418 186 L N 0.247 121.523 121.223 0.088 0.000 2.005 186 L HA -0.219 4.136 4.340 0.024 0.000 0.207 186 L C 2.321 179.292 176.870 0.169 0.000 1.072 186 L CA 1.670 56.582 54.840 0.120 0.000 0.744 186 L CB -0.855 41.223 42.059 0.032 0.000 0.895 186 L HN 0.264 nan 8.230 nan 0.000 0.433 187 N N -0.349 118.421 118.700 0.117 0.000 2.247 187 N HA -0.240 4.514 4.740 0.024 0.000 0.189 187 N C 1.842 177.427 175.510 0.124 0.000 1.009 187 N CA 1.045 54.158 53.050 0.105 0.000 0.872 187 N CB 0.063 38.623 38.487 0.121 0.000 0.980 187 N HN 0.226 nan 8.380 nan 0.000 0.436 188 Q N 0.331 120.219 119.800 0.146 0.000 2.364 188 Q HA -0.108 4.246 4.340 0.024 0.000 0.207 188 Q C 1.682 177.544 176.000 -0.229 0.000 0.970 188 Q CA 0.680 56.510 55.803 0.044 0.000 0.888 188 Q CB -0.239 28.479 28.738 -0.034 0.000 0.951 188 Q HN 0.527 nan 8.270 nan 0.000 0.469 189 K N 0.971 121.306 120.400 -0.108 0.000 2.113 189 K HA -0.196 4.139 4.320 0.024 0.000 0.208 189 K C 1.928 178.409 176.600 -0.198 0.000 1.047 189 K CA 1.115 57.332 56.287 -0.117 0.000 0.928 189 K CB 0.085 32.664 32.500 0.132 0.000 0.716 189 K HN 0.077 nan 8.250 nan 0.000 0.446 190 R N -0.432 119.912 120.500 -0.260 0.000 2.122 190 R HA -0.183 4.172 4.340 0.024 0.000 0.236 190 R C 2.042 178.048 176.300 -0.490 0.000 1.129 190 R CA 2.235 58.022 56.100 -0.523 0.000 0.925 190 R CB -0.326 29.327 30.300 -1.078 0.000 0.850 190 R HN 0.439 nan 8.270 nan 0.000 0.431 191 W N -0.088 121.101 121.300 -0.185 0.000 3.139 191 W HA 0.100 4.774 4.660 0.024 0.000 0.260 191 W C 0.793 177.169 176.519 -0.238 0.000 1.312 191 W CA -0.055 57.179 57.345 -0.185 0.000 1.606 191 W CB -0.148 29.204 29.460 -0.180 0.000 1.118 191 W HN 0.177 nan 8.180 nan 0.000 0.675 192 N N 0.618 119.211 118.700 -0.178 0.000 2.322 192 N HA -0.035 4.720 4.740 0.024 0.000 0.194 192 N C 0.360 175.776 175.510 -0.157 0.000 1.126 192 N CA 0.498 53.367 53.050 -0.301 0.000 0.845 192 N CB -0.232 37.814 38.487 -0.734 0.000 0.976 192 N HN 0.110 nan 8.380 nan 0.000 0.475 193 N N 0.160 118.799 118.700 -0.103 0.000 2.328 193 N HA 0.194 4.948 4.740 0.024 0.000 0.247 193 N C 0.355 175.846 175.510 -0.032 0.000 1.165 193 N CA 0.035 53.054 53.050 -0.052 0.000 0.873 193 N CB 1.465 39.917 38.487 -0.058 0.000 1.125 193 N HN 0.104 nan 8.380 nan 0.000 0.513 194 G N -1.061 107.729 108.800 -0.017 0.000 2.725 194 G HA2 0.337 4.312 3.960 0.024 0.000 0.288 194 G HA3 0.337 4.312 3.960 0.024 0.000 0.288 194 G C 0.359 175.277 174.900 0.030 0.000 1.399 194 G CA -0.363 44.741 45.100 0.006 0.000 0.859 194 G HN 0.003 nan 8.290 nan 0.000 0.479 195 S N -0.481 115.242 115.700 0.038 0.000 2.402 195 S HA -0.025 4.460 4.470 0.024 0.000 0.229 195 S C 0.696 175.336 174.600 0.066 0.000 1.021 195 S CA 0.644 58.875 58.200 0.052 0.000 0.974 195 S CB -0.070 63.156 63.200 0.043 0.000 0.800 195 S HN 0.533 nan 8.310 nan 0.000 0.484 196 D N 2.043 122.480 120.400 0.062 0.000 2.349 196 D HA 0.113 4.768 4.640 0.024 0.000 0.266 196 D C 0.904 177.253 176.300 0.082 0.000 1.293 196 D CA 0.041 54.081 54.000 0.066 0.000 0.926 196 D CB 0.469 41.305 40.800 0.060 0.000 1.090 196 D HN 0.094 nan 8.370 nan 0.000 0.502 197 E N 1.010 121.278 120.200 0.114 0.000 2.152 197 E HA -0.131 4.233 4.350 0.024 0.000 0.192 197 E C 1.925 178.626 176.600 0.169 0.000 0.983 197 E CA 0.520 57.027 56.400 0.177 0.000 0.818 197 E CB -0.167 29.653 29.700 0.200 0.000 0.758 197 E HN 0.511 nan 8.360 nan 0.000 0.467 198 S N 0.792 116.560 115.700 0.113 0.000 2.423 198 S HA -0.070 4.414 4.470 0.024 0.000 0.231 198 S C 1.709 176.269 174.600 -0.067 0.000 1.014 198 S CA 0.765 59.016 58.200 0.085 0.000 0.965 198 S CB -0.008 63.226 63.200 0.056 0.000 0.785 198 S HN 0.105 nan 8.310 nan 0.000 0.495 199 K N 0.836 121.198 120.400 -0.062 0.000 2.323 199 K HA 0.223 4.557 4.320 0.024 0.000 0.197 199 K C 0.406 176.904 176.600 -0.170 0.000 1.043 199 K CA 0.154 56.338 56.287 -0.172 0.000 0.997 199 K CB 0.092 32.566 32.500 -0.042 0.000 0.807 199 K HN 0.372 nan 8.250 nan 0.000 0.497 200 K N 1.485 121.846 120.400 -0.065 0.000 2.326 200 K HA 0.103 4.437 4.320 0.024 0.000 0.275 200 K C -0.503 176.017 176.600 -0.133 0.000 1.018 200 K CA -0.146 56.058 56.287 -0.138 0.000 0.962 200 K CB 0.546 32.934 32.500 -0.187 0.000 0.953 200 K HN -0.131 nan 8.250 nan 0.000 0.475 201 L N 4.835 125.917 121.223 -0.234 0.000 2.454 201 L HA 0.266 4.621 4.340 0.024 0.000 0.258 201 L C -1.408 175.364 176.870 -0.163 0.000 1.025 201 L CA -0.409 54.361 54.840 -0.117 0.000 0.901 201 L CB 0.284 42.277 42.059 -0.110 0.000 1.210 201 L HN 0.450 nan 8.230 nan 0.000 0.457 202 Y N 2.200 122.436 120.300 -0.106 0.000 2.550 202 Y HA 0.268 4.833 4.550 0.024 0.000 0.343 202 Y C 0.710 176.527 175.900 -0.139 0.000 1.245 202 Y CA 0.184 58.187 58.100 -0.163 0.000 1.462 202 Y CB 0.510 38.605 38.460 -0.609 0.000 1.340 202 Y HN 0.453 nan 8.280 nan 0.000 0.604 203 C N 2.344 121.703 119.300 0.099 0.000 2.408 203 C HA 0.643 5.118 4.460 0.024 0.000 0.321 203 C C -0.602 174.382 174.990 -0.009 0.000 1.245 203 C CA -1.180 57.864 59.018 0.043 0.000 1.523 203 C CB 0.475 28.276 27.740 0.102 0.000 2.178 203 C HN 0.520 nan 8.230 nan 0.000 0.488 204 V N 3.572 123.461 119.914 -0.041 0.000 2.384 204 V HA 0.361 4.495 4.120 0.024 0.000 0.287 204 V C -0.839 175.230 176.094 -0.042 0.000 1.020 204 V CA -0.592 61.679 62.300 -0.048 0.000 0.850 204 V CB 1.010 32.779 31.823 -0.089 0.000 0.987 204 V HN 0.806 nan 8.190 nan 0.000 0.436 205 Y N 4.733 124.960 120.300 -0.123 0.000 2.335 205 Y HA 0.687 5.252 4.550 0.024 0.000 0.338 205 Y C -0.473 175.361 175.900 -0.110 0.000 0.977 205 Y CA -0.760 57.264 58.100 -0.126 0.000 1.114 205 Y CB 1.857 40.263 38.460 -0.090 0.000 1.182 205 Y HN 0.431 nan 8.280 nan 0.000 0.463 206 V N 6.134 125.639 119.914 -0.682 0.000 2.328 206 V HA 0.631 4.766 4.120 0.024 0.000 0.278 206 V C -0.099 175.672 176.094 -0.538 0.000 1.021 206 V CA -0.705 61.331 62.300 -0.441 0.000 0.838 206 V CB 0.868 32.514 31.823 -0.294 0.000 0.999 206 V HN 0.929 nan 8.190 nan 0.000 0.447 207 A N 5.278 127.937 122.820 -0.267 0.000 2.444 207 A HA 0.684 5.018 4.320 0.024 0.000 0.332 207 A C -0.349 177.206 177.584 -0.050 0.000 1.430 207 A CA -0.368 51.593 52.037 -0.127 0.000 0.975 207 A CB 0.382 19.424 19.000 0.071 0.000 1.147 207 A HN 0.675 nan 8.150 nan 0.000 0.524 208 V N 2.594 122.476 119.914 -0.053 0.000 2.311 208 V HA 0.571 4.706 4.120 0.024 0.000 0.275 208 V C 1.263 177.373 176.094 0.026 0.000 1.022 208 V CA 0.634 62.933 62.300 -0.002 0.000 0.830 208 V CB 0.334 32.154 31.823 -0.005 0.000 1.012 208 V HN 1.632 nan 8.190 nan 0.000 0.452 209 G N 3.866 112.692 108.800 0.044 0.000 2.148 209 G HA2 -0.236 3.738 3.960 0.024 0.000 0.254 209 G HA3 -0.236 3.738 3.960 0.024 0.000 0.254 209 G C 0.201 175.129 174.900 0.048 0.000 0.981 209 G CA 0.259 45.390 45.100 0.053 0.000 0.670 209 G HN 0.617 nan 8.290 nan 0.000 0.528 210 Q N -0.116 119.712 119.800 0.047 0.000 2.396 210 Q HA 0.456 4.811 4.340 0.024 0.000 0.221 210 Q C 0.551 176.581 176.000 0.050 0.000 1.025 210 Q CA -0.235 55.600 55.803 0.053 0.000 0.946 210 Q CB 0.671 29.451 28.738 0.071 0.000 1.224 210 Q HN 0.353 nan 8.270 nan 0.000 0.539 211 K N 0.989 121.417 120.400 0.048 0.000 2.401 211 K HA -0.017 4.318 4.320 0.024 0.000 0.278 211 K C 0.947 177.574 176.600 0.044 0.000 1.018 211 K CA 0.145 56.457 56.287 0.042 0.000 0.981 211 K CB 0.555 33.077 32.500 0.037 0.000 0.933 211 K HN 0.446 nan 8.250 nan 0.000 0.477 212 R N 1.176 121.699 120.500 0.039 0.000 2.091 212 R HA -0.188 4.166 4.340 0.024 0.000 0.238 212 R C 2.219 178.539 176.300 0.034 0.000 1.136 212 R CA 2.240 58.363 56.100 0.037 0.000 0.959 212 R CB -0.113 30.207 30.300 0.032 0.000 0.856 212 R HN 0.817 nan 8.270 nan 0.000 0.437 213 S N -0.827 114.891 115.700 0.029 0.000 2.382 213 S HA -0.127 4.358 4.470 0.024 0.000 0.228 213 S C 1.877 176.493 174.600 0.026 0.000 1.027 213 S CA 1.674 59.889 58.200 0.024 0.000 0.991 213 S CB -0.457 62.757 63.200 0.022 0.000 0.823 213 S HN 0.256 nan 8.310 nan 0.000 0.469 214 T N 2.628 117.202 114.554 0.033 0.000 2.674 214 T HA -0.058 4.306 4.350 0.024 0.000 0.265 214 T C 1.953 176.673 174.700 0.032 0.000 1.039 214 T CA 1.632 63.754 62.100 0.035 0.000 1.150 214 T CB -0.725 68.171 68.868 0.047 0.000 0.864 214 T HN 0.326 nan 8.240 nan 0.000 0.427 215 V N 2.036 121.979 119.914 0.048 0.000 2.255 215 V HA -0.196 3.939 4.120 0.024 0.000 0.247 215 V C 2.946 179.050 176.094 0.016 0.000 1.051 215 V CA 1.692 64.023 62.300 0.051 0.000 1.018 215 V CB -1.484 30.389 31.823 0.083 0.000 0.641 215 V HN 0.545 nan 8.190 nan 0.000 0.445 216 A N -0.404 122.426 122.820 0.018 0.000 1.884 216 A HA -0.382 3.953 4.320 0.024 0.000 0.219 216 A C 2.193 179.775 177.584 -0.005 0.000 1.197 216 A CA 2.583 54.624 52.037 0.007 0.000 0.637 216 A CB -0.704 18.303 19.000 0.011 0.000 0.827 216 A HN 0.655 nan 8.150 nan 0.000 0.450 217 Q N -1.388 118.412 119.800 -0.001 0.000 2.170 217 Q HA -0.067 4.287 4.340 0.024 0.000 0.203 217 Q C 2.071 178.058 176.000 -0.022 0.000 0.976 217 Q CA 1.302 57.101 55.803 -0.006 0.000 0.858 217 Q CB -0.222 28.519 28.738 0.006 0.000 0.907 217 Q HN 0.655 nan 8.270 nan 0.000 0.433 218 L N -0.465 120.735 121.223 -0.038 0.000 2.131 218 L HA -0.103 4.252 4.340 0.024 0.000 0.206 218 L C 2.027 178.826 176.870 -0.118 0.000 1.087 218 L CA 0.813 55.597 54.840 -0.094 0.000 0.767 218 L CB 0.006 41.974 42.059 -0.153 0.000 0.917 218 L HN -0.017 nan 8.230 nan 0.000 0.441 219 V N -0.451 119.412 119.914 -0.085 0.000 2.358 219 V HA -0.289 3.846 4.120 0.024 0.000 0.246 219 V C 2.500 178.558 176.094 -0.059 0.000 1.047 219 V CA 1.779 64.033 62.300 -0.078 0.000 1.035 219 V CB -0.423 31.375 31.823 -0.042 0.000 0.658 219 V HN 0.574 nan 8.190 nan 0.000 0.452 220 Q N 0.500 120.276 119.800 -0.040 0.000 2.096 220 Q HA -0.205 4.150 4.340 0.024 0.000 0.204 220 Q C 2.065 178.054 176.000 -0.020 0.000 0.982 220 Q CA 2.720 58.507 55.803 -0.026 0.000 0.850 220 Q CB -0.678 28.049 28.738 -0.018 0.000 0.901 220 Q HN 0.621 nan 8.270 nan 0.000 0.422 221 T N 0.778 115.315 114.554 -0.029 0.000 2.867 221 T HA -0.054 4.311 4.350 0.024 0.000 0.268 221 T C 1.683 176.373 174.700 -0.017 0.000 1.057 221 T CA 1.190 63.279 62.100 -0.017 0.000 1.136 221 T CB -0.186 68.658 68.868 -0.040 0.000 0.874 221 T HN 0.225 nan 8.240 nan 0.000 0.466 222 L N 0.535 121.713 121.223 -0.075 0.000 2.083 222 L HA -0.077 4.278 4.340 0.024 0.000 0.209 222 L C 2.763 179.609 176.870 -0.041 0.000 1.083 222 L CA 1.264 56.045 54.840 -0.098 0.000 0.752 222 L CB -0.390 41.574 42.059 -0.159 0.000 0.899 222 L HN 0.224 nan 8.230 nan 0.000 0.433 223 E N 0.103 120.286 120.200 -0.028 0.000 2.150 223 E HA -0.232 4.133 4.350 0.024 0.000 0.193 223 E C 2.052 178.659 176.600 0.012 0.000 0.985 223 E CA 0.924 57.314 56.400 -0.018 0.000 0.814 223 E CB 0.096 29.782 29.700 -0.023 0.000 0.752 223 E HN 0.370 nan 8.360 nan 0.000 0.466 224 Q N -1.250 118.584 119.800 0.056 0.000 2.482 224 Q HA -0.047 4.308 4.340 0.024 0.000 0.209 224 Q C 0.270 176.257 176.000 -0.023 0.000 0.961 224 Q CA 0.586 56.409 55.803 0.033 0.000 0.945 224 Q CB 0.224 28.987 28.738 0.043 0.000 1.012 224 Q HN 0.358 nan 8.270 nan 0.000 0.515 225 H N -1.595 117.444 119.070 -0.051 0.000 2.916 225 H HA 0.089 4.659 4.556 0.024 0.000 0.262 225 H C -0.634 174.686 175.328 -0.014 0.000 1.178 225 H CA -0.293 55.738 56.048 -0.028 0.000 1.090 225 H CB 0.773 30.529 29.762 -0.011 0.000 1.657 225 H HN 0.044 nan 8.280 nan 0.000 0.601 226 D N 0.359 120.791 120.400 0.054 0.000 2.751 226 D HA -0.199 4.456 4.640 0.024 0.000 0.233 226 D C 1.012 177.321 176.300 0.015 0.000 1.149 226 D CA 0.799 54.818 54.000 0.030 0.000 0.682 226 D CB -0.937 39.889 40.800 0.043 0.000 1.068 226 D HN 0.568 nan 8.370 nan 0.000 0.429 227 A N -0.708 122.043 122.820 -0.115 0.000 2.085 227 A HA 0.112 4.446 4.320 0.024 0.000 0.208 227 A C 2.009 179.138 177.584 -0.759 0.000 1.191 227 A CA 1.010 52.729 52.037 -0.531 0.000 0.799 227 A CB -0.098 18.711 19.000 -0.318 0.000 0.877 227 A HN 0.272 nan 8.150 nan 0.000 0.473 228 M N 1.612 121.008 119.600 -0.341 0.000 2.144 228 M HA -0.232 4.263 4.480 0.024 0.000 0.260 228 M C 1.975 178.158 176.300 -0.195 0.000 1.067 228 M CA 2.336 57.495 55.300 -0.235 0.000 1.095 228 M CB -0.533 31.996 32.600 -0.118 0.000 1.365 228 M HN 0.513 nan 8.290 nan 0.000 0.406 229 K N -0.624 119.691 120.400 -0.143 0.000 2.281 229 K HA -0.195 4.140 4.320 0.024 0.000 0.203 229 K C 0.757 177.417 176.600 0.101 0.000 1.046 229 K CA 1.813 58.102 56.287 0.003 0.000 0.938 229 K CB -0.822 31.719 32.500 0.068 0.000 0.737 229 K HN 0.669 nan 8.250 nan 0.000 0.458 230 Y N -0.111 120.220 120.300 0.051 0.000 2.660 230 Y HA 0.432 4.997 4.550 0.024 0.000 0.254 230 Y C -0.587 175.354 175.900 0.068 0.000 1.176 230 Y CA -1.056 57.087 58.100 0.073 0.000 1.195 230 Y CB 0.106 38.530 38.460 -0.059 0.000 1.190 230 Y HN 0.078 nan 8.280 nan 0.000 0.535 231 S N 0.275 115.941 115.700 -0.056 0.000 2.549 231 S HA 0.768 5.253 4.470 0.024 0.000 0.280 231 S C -1.048 173.546 174.600 -0.011 0.000 1.109 231 S CA -0.734 57.440 58.200 -0.043 0.000 0.905 231 S CB 2.028 65.137 63.200 -0.151 0.000 1.081 231 S HN 0.249 nan 8.310 nan 0.000 0.477 232 I N 2.013 122.591 120.570 0.013 0.000 2.474 232 I HA 0.437 4.622 4.170 0.024 0.000 0.294 232 I C -0.893 175.244 176.117 0.032 0.000 1.005 232 I CA -0.961 60.353 61.300 0.024 0.000 1.113 232 I CB 1.538 39.562 38.000 0.041 0.000 1.289 232 I HN 0.505 nan 8.210 nan 0.000 0.436 233 I N 6.831 127.424 120.570 0.037 0.000 2.355 233 I HA 0.318 4.502 4.170 0.024 0.000 0.288 233 I C -0.231 175.913 176.117 0.045 0.000 0.999 233 I CA -0.641 60.704 61.300 0.074 0.000 1.163 233 I CB 1.453 39.498 38.000 0.076 0.000 1.316 233 I HN 0.135 nan 8.210 nan 0.000 0.454 234 V N 5.674 125.603 119.914 0.025 0.000 2.370 234 V HA 0.738 4.872 4.120 0.024 0.000 0.279 234 V C 0.384 176.478 176.094 -0.001 0.000 1.029 234 V CA -0.551 61.748 62.300 -0.002 0.000 0.870 234 V CB 1.413 33.219 31.823 -0.028 0.000 0.984 234 V HN 0.858 nan 8.190 nan 0.000 0.451 235 A N 4.248 127.077 122.820 0.015 0.000 2.411 235 A HA 0.849 5.183 4.320 0.024 0.000 0.285 235 A C -0.175 177.427 177.584 0.029 0.000 1.129 235 A CA -0.290 51.763 52.037 0.026 0.000 0.736 235 A CB 1.264 20.293 19.000 0.048 0.000 1.186 235 A HN 1.246 nan 8.150 nan 0.000 0.445 236 A N 3.016 125.856 122.820 0.033 0.000 2.316 236 A HA 0.680 5.015 4.320 0.024 0.000 0.324 236 A C 0.616 178.233 177.584 0.055 0.000 1.375 236 A CA 0.127 52.196 52.037 0.053 0.000 0.882 236 A CB -0.196 18.848 19.000 0.073 0.000 1.152 236 A HN 1.235 nan 8.150 nan 0.000 0.512 237 T N -0.571 114.016 114.554 0.053 0.000 2.833 237 T HA 0.544 4.908 4.350 0.024 0.000 0.292 237 T C 1.591 176.324 174.700 0.054 0.000 1.031 237 T CA 0.089 62.220 62.100 0.051 0.000 0.937 237 T CB 0.646 69.542 68.868 0.047 0.000 1.256 237 T HN 1.005 nan 8.240 nan 0.000 0.551 238 A N 0.586 123.435 122.820 0.049 0.000 2.024 238 A HA -0.028 4.307 4.320 0.024 0.000 0.220 238 A C 2.354 179.965 177.584 0.045 0.000 1.164 238 A CA 1.796 53.862 52.037 0.047 0.000 0.643 238 A CB -1.303 17.721 19.000 0.042 0.000 0.806 238 A HN 0.975 nan 8.150 nan 0.000 0.451 239 S N -0.685 115.040 115.700 0.042 0.000 2.575 239 S HA 0.175 4.659 4.470 0.024 0.000 0.215 239 S C 0.341 174.968 174.600 0.044 0.000 0.966 239 S CA -0.361 57.862 58.200 0.038 0.000 0.911 239 S CB 0.023 63.242 63.200 0.032 0.000 0.780 239 S HN 0.620 nan 8.310 nan 0.000 0.514 240 E N 1.666 121.900 120.200 0.056 0.000 2.313 240 E HA 0.558 4.922 4.350 0.024 0.000 0.272 240 E C -0.021 176.627 176.600 0.081 0.000 1.038 240 E CA -0.534 55.907 56.400 0.069 0.000 0.863 240 E CB 1.040 30.787 29.700 0.079 0.000 1.060 240 E HN 0.426 nan 8.360 nan 0.000 0.402 241 A N 2.094 124.966 122.820 0.088 0.000 2.584 241 A HA 0.068 4.402 4.320 0.024 0.000 0.239 241 A C 1.321 178.977 177.584 0.119 0.000 1.043 241 A CA 0.799 52.888 52.037 0.086 0.000 0.756 241 A CB 0.141 19.192 19.000 0.085 0.000 0.963 241 A HN 0.832 nan 8.150 nan 0.000 0.511 242 A N 4.330 127.207 122.820 0.095 0.000 1.927 242 A HA -0.109 4.225 4.320 0.024 0.000 0.220 242 A C -0.122 177.590 177.584 0.214 0.000 1.185 242 A CA 2.177 54.293 52.037 0.131 0.000 0.639 242 A CB -1.617 17.432 19.000 0.082 0.000 0.820 242 A HN 0.656 nan 8.150 nan 0.000 0.451 243 P HA -0.070 nan 4.420 nan 0.000 0.222 243 P C 1.252 178.876 177.300 0.541 0.000 1.147 243 P CA 0.680 63.955 63.100 0.292 0.000 0.790 243 P CB -0.074 31.573 31.700 -0.089 0.000 0.780 244 L N -1.113 120.373 121.223 0.438 0.000 2.240 244 L HA -0.110 4.244 4.340 0.024 0.000 0.211 244 L C 2.437 179.454 176.870 0.244 0.000 1.106 244 L CA 1.235 56.303 54.840 0.380 0.000 0.793 244 L CB -0.540 41.682 42.059 0.273 0.000 0.927 244 L HN 0.037 nan 8.230 nan 0.000 0.446 245 Q N -1.111 118.833 119.800 0.240 0.000 2.123 245 Q HA -0.195 4.160 4.340 0.024 0.000 0.196 245 Q C 2.070 178.197 176.000 0.212 0.000 0.958 245 Q CA 1.371 57.284 55.803 0.183 0.000 0.841 245 Q CB -0.274 28.564 28.738 0.167 0.000 0.915 245 Q HN 0.511 nan 8.270 nan 0.000 0.455 246 Y N 1.565 121.979 120.300 0.190 0.000 2.181 246 Y HA -0.240 4.325 4.550 0.024 0.000 0.288 246 Y C 1.962 178.030 175.900 0.279 0.000 1.146 246 Y CA 1.171 59.403 58.100 0.221 0.000 1.164 246 Y CB -0.244 38.390 38.460 0.290 0.000 0.982 246 Y HN 0.088 nan 8.280 nan 0.000 0.515 247 L N 1.127 122.343 121.223 -0.011 0.000 2.072 247 L HA 0.047 4.401 4.340 0.024 0.000 0.205 247 L C 2.576 179.448 176.870 0.003 0.000 1.079 247 L CA 1.924 56.728 54.840 -0.060 0.000 0.752 247 L CB -1.357 40.798 42.059 0.159 0.000 0.906 247 L HN 0.310 nan 8.230 nan 0.000 0.436 248 A N 0.483 123.308 122.820 0.008 0.000 1.896 248 A HA -0.204 4.130 4.320 0.024 0.000 0.220 248 A C 0.049 177.605 177.584 -0.047 0.000 1.206 248 A CA 2.435 54.464 52.037 -0.014 0.000 0.647 248 A CB -2.250 16.749 19.000 -0.001 0.000 0.828 248 A HN 0.473 nan 8.150 nan 0.000 0.455 249 P HA -0.066 nan 4.420 nan 0.000 0.222 249 P C 0.854 178.037 177.300 -0.196 0.000 1.147 249 P CA 0.836 63.859 63.100 -0.127 0.000 0.790 249 P CB -0.114 31.334 31.700 -0.421 0.000 0.780 250 F N -0.128 119.761 119.950 -0.102 0.000 2.219 250 F HA -0.093 4.449 4.527 0.024 0.000 0.294 250 F C 2.459 178.221 175.800 -0.062 0.000 1.086 250 F CA 1.763 59.692 58.000 -0.119 0.000 1.330 250 F CB -1.875 36.988 39.000 -0.229 0.000 1.047 250 F HN -0.060 nan 8.300 nan 0.000 0.495 251 T N -1.623 112.998 114.554 0.113 0.000 2.821 251 T HA -0.115 4.249 4.350 0.024 0.000 0.267 251 T C 2.220 176.947 174.700 0.045 0.000 1.046 251 T CA 0.977 63.108 62.100 0.051 0.000 1.139 251 T CB -0.969 67.900 68.868 0.000 0.000 0.871 251 T HN 0.167 nan 8.240 nan 0.000 0.454 252 A N 2.334 125.172 122.820 0.030 0.000 1.892 252 A HA 0.157 4.491 4.320 0.024 0.000 0.218 252 A C 2.883 180.490 177.584 0.039 0.000 1.188 252 A CA 2.339 54.383 52.037 0.012 0.000 0.631 252 A CB -1.555 17.424 19.000 -0.035 0.000 0.822 252 A HN 0.793 nan 8.150 nan 0.000 0.447 253 A N -0.542 122.328 122.820 0.083 0.000 1.917 253 A HA -0.134 4.201 4.320 0.024 0.000 0.219 253 A C 2.446 180.093 177.584 0.105 0.000 1.182 253 A CA 2.295 54.396 52.037 0.108 0.000 0.633 253 A CB -0.955 18.127 19.000 0.137 0.000 0.819 253 A HN 0.498 nan 8.150 nan 0.000 0.448 254 S N -0.305 115.455 115.700 0.101 0.000 2.368 254 S HA -0.136 4.349 4.470 0.024 0.000 0.225 254 S C 1.797 176.477 174.600 0.134 0.000 1.030 254 S CA 1.521 59.782 58.200 0.102 0.000 0.999 254 S CB -0.489 62.757 63.200 0.076 0.000 0.844 254 S HN 0.523 nan 8.310 nan 0.000 0.459 255 I N 1.637 122.279 120.570 0.119 0.000 2.163 255 I HA -0.166 4.018 4.170 0.024 0.000 0.243 255 I C 2.653 178.947 176.117 0.295 0.000 1.085 255 I CA 1.314 62.711 61.300 0.162 0.000 1.347 255 I CB -0.764 37.296 38.000 0.101 0.000 1.044 255 I HN 0.376 nan 8.210 nan 0.000 0.408 256 G N -0.281 108.642 108.800 0.206 0.000 2.440 256 G HA2 -0.258 3.716 3.960 0.024 0.000 0.218 256 G HA3 -0.258 3.716 3.960 0.024 0.000 0.218 256 G C 1.546 176.627 174.900 0.302 0.000 1.154 256 G CA 0.696 45.927 45.100 0.217 0.000 0.767 256 G HN 0.390 nan 8.290 nan 0.000 0.552 257 E N -0.798 119.528 120.200 0.210 0.000 2.160 257 E HA -0.179 4.186 4.350 0.024 0.000 0.195 257 E C 1.933 178.620 176.600 0.145 0.000 0.991 257 E CA 0.714 57.203 56.400 0.148 0.000 0.810 257 E CB -0.223 29.537 29.700 0.100 0.000 0.742 257 E HN 0.676 nan 8.360 nan 0.000 0.466 258 W N 0.074 121.389 121.300 0.025 0.000 2.342 258 W HA -0.211 4.463 4.660 0.024 0.000 0.297 258 W C 1.372 177.752 176.519 -0.232 0.000 1.213 258 W CA 1.494 58.755 57.345 -0.141 0.000 1.251 258 W CB -0.237 29.063 29.460 -0.266 0.000 1.136 258 W HN 0.024 nan 8.180 nan 0.000 0.526 259 F N -0.285 119.736 119.950 0.117 0.000 2.259 259 F HA -0.036 4.505 4.527 0.024 0.000 0.298 259 F C 2.686 178.384 175.800 -0.171 0.000 1.088 259 F CA 1.725 59.701 58.000 -0.040 0.000 1.358 259 F CB -0.943 38.095 39.000 0.064 0.000 1.040 259 F HN -0.242 nan 8.300 nan 0.000 0.505 260 R N 0.714 121.242 120.500 0.048 0.000 2.062 260 R HA -0.144 4.210 4.340 0.024 0.000 0.231 260 R C 1.217 177.423 176.300 -0.157 0.000 1.136 260 R CA 1.886 57.947 56.100 -0.066 0.000 0.948 260 R CB -0.374 29.915 30.300 -0.019 0.000 0.845 260 R HN 0.128 nan 8.270 nan 0.000 0.430 261 D N 0.167 120.447 120.400 -0.200 0.000 2.378 261 D HA -0.040 4.614 4.640 0.024 0.000 0.227 261 D C 0.180 176.259 176.300 -0.368 0.000 1.012 261 D CA 0.615 54.468 54.000 -0.246 0.000 0.905 261 D CB 0.008 40.674 40.800 -0.223 0.000 0.895 261 D HN 0.210 nan 8.370 nan 0.000 0.532 262 N N -0.430 117.987 118.700 -0.471 0.000 2.351 262 N HA 0.150 4.905 4.740 0.024 0.000 0.254 262 N C 0.960 176.281 175.510 -0.315 0.000 1.241 262 N CA 0.161 52.889 53.050 -0.537 0.000 0.883 262 N CB 1.538 39.386 38.487 -1.066 0.000 1.202 262 N HN 0.097 nan 8.380 nan 0.000 0.512 263 G N 1.129 109.798 108.800 -0.219 0.000 2.189 263 G HA2 -0.319 3.655 3.960 0.024 0.000 0.267 263 G HA3 -0.319 3.655 3.960 0.024 0.000 0.267 263 G C 0.192 175.034 174.900 -0.097 0.000 0.975 263 G CA 0.658 45.675 45.100 -0.140 0.000 0.644 263 G HN 0.344 nan 8.290 nan 0.000 0.537 264 K N -0.238 120.113 120.400 -0.082 0.000 2.245 264 K HA 0.702 5.036 4.320 0.024 0.000 0.234 264 K C 0.015 176.597 176.600 -0.029 0.000 1.021 264 K CA -0.953 55.390 56.287 0.094 0.000 0.898 264 K CB 1.005 33.674 32.500 0.282 0.000 1.163 264 K HN 0.332 nan 8.250 nan 0.000 0.459 265 H N -0.698 118.492 119.070 0.200 0.000 2.616 265 H HA 0.690 5.261 4.556 0.024 0.000 0.353 265 H C -0.932 174.478 175.328 0.136 0.000 1.170 265 H CA -0.899 55.220 56.048 0.117 0.000 1.212 265 H CB 2.101 31.875 29.762 0.020 0.000 1.653 265 H HN 0.677 nan 8.280 nan 0.000 0.537 266 A N 1.921 124.832 122.820 0.152 0.000 2.589 266 A HA 0.435 4.769 4.320 0.024 0.000 0.296 266 A C -1.905 175.686 177.584 0.012 0.000 1.062 266 A CA -0.562 51.492 52.037 0.028 0.000 0.686 266 A CB 1.809 20.787 19.000 -0.038 0.000 1.282 266 A HN 0.447 nan 8.150 nan 0.000 0.404 267 L N 2.054 123.265 121.223 -0.021 0.000 2.333 267 L HA 0.821 5.176 4.340 0.024 0.000 0.280 267 L C -1.086 175.736 176.870 -0.081 0.000 1.004 267 L CA -0.478 54.342 54.840 -0.034 0.000 0.820 267 L CB 1.304 43.355 42.059 -0.013 0.000 1.247 267 L HN 0.698 nan 8.230 nan 0.000 0.416 268 I N 5.522 126.005 120.570 -0.144 0.000 2.389 268 I HA 0.522 4.707 4.170 0.024 0.000 0.288 268 I C -1.211 174.646 176.117 -0.433 0.000 0.999 268 I CA -0.607 60.505 61.300 -0.313 0.000 1.129 268 I CB 1.541 39.298 38.000 -0.405 0.000 1.288 268 I HN 0.372 nan 8.210 nan 0.000 0.444 269 V N 8.125 127.802 119.914 -0.394 0.000 2.347 269 V HA 0.293 4.428 4.120 0.024 0.000 0.280 269 V C -0.964 174.817 176.094 -0.521 0.000 1.021 269 V CA -0.489 61.620 62.300 -0.317 0.000 0.847 269 V CB 0.924 32.733 31.823 -0.024 0.000 0.990 269 V HN 0.475 nan 8.190 nan 0.000 0.444 270 Y N 2.486 122.650 120.300 -0.227 0.000 2.518 270 Y HA 0.477 5.041 4.550 0.024 0.000 0.344 270 Y C 0.244 175.984 175.900 -0.268 0.000 0.982 270 Y CA -0.784 57.147 58.100 -0.283 0.000 1.234 270 Y CB 0.780 39.075 38.460 -0.274 0.000 1.114 270 Y HN 0.550 nan 8.280 nan 0.000 0.515 271 D N 3.445 123.708 120.400 -0.229 0.000 2.446 271 D HA 0.183 4.837 4.640 0.024 0.000 0.251 271 D C -1.070 175.168 176.300 -0.102 0.000 1.137 271 D CA -0.471 53.426 54.000 -0.171 0.000 0.890 271 D CB 0.439 41.099 40.800 -0.234 0.000 1.071 271 D HN 0.620 nan 8.370 nan 0.000 0.528 272 D N 1.063 121.438 120.400 -0.042 0.000 2.553 272 D HA 0.238 4.893 4.640 0.024 0.000 0.249 272 D C 0.921 177.193 176.300 -0.048 0.000 1.062 272 D CA -0.717 53.261 54.000 -0.038 0.000 1.085 272 D CB 0.920 41.712 40.800 -0.012 0.000 1.350 272 D HN 0.159 nan 8.370 nan 0.000 0.575 273 L N -0.063 121.107 121.223 -0.088 0.000 2.446 273 L HA 0.005 4.360 4.340 0.024 0.000 0.219 273 L C 1.817 178.715 176.870 0.045 0.000 1.116 273 L CA 0.303 55.050 54.840 -0.155 0.000 0.844 273 L CB -0.220 41.543 42.059 -0.494 0.000 0.970 273 L HN 0.364 nan 8.230 nan 0.000 0.457 274 S N 0.421 116.154 115.700 0.055 0.000 2.343 274 S HA -0.198 4.286 4.470 0.024 0.000 0.219 274 S C 1.883 176.566 174.600 0.137 0.000 1.033 274 S CA 1.339 59.602 58.200 0.105 0.000 1.014 274 S CB -0.112 63.137 63.200 0.080 0.000 0.915 274 S HN 0.348 nan 8.310 nan 0.000 0.435 275 K N 1.045 121.506 120.400 0.102 0.000 2.103 275 K HA -0.136 4.199 4.320 0.024 0.000 0.207 275 K C 2.501 179.185 176.600 0.140 0.000 1.048 275 K CA 1.052 57.405 56.287 0.109 0.000 0.930 275 K CB -0.182 32.363 32.500 0.074 0.000 0.716 275 K HN 0.340 nan 8.250 nan 0.000 0.444 276 Q N 0.509 120.389 119.800 0.133 0.000 2.061 276 Q HA -0.206 4.149 4.340 0.024 0.000 0.204 276 Q C 2.105 178.271 176.000 0.277 0.000 0.984 276 Q CA 1.839 57.749 55.803 0.179 0.000 0.846 276 Q CB -0.132 28.673 28.738 0.111 0.000 0.902 276 Q HN 0.359 nan 8.270 nan 0.000 0.421 277 A N -0.076 122.915 122.820 0.285 0.000 1.902 277 A HA -0.147 4.188 4.320 0.024 0.000 0.217 277 A C 2.226 180.061 177.584 0.418 0.000 1.181 277 A CA 1.676 53.890 52.037 0.294 0.000 0.623 277 A CB -0.733 18.335 19.000 0.113 0.000 0.818 277 A HN 0.306 nan 8.150 nan 0.000 0.443 278 V N -0.154 119.963 119.914 0.339 0.000 2.343 278 V HA -0.234 3.900 4.120 0.024 0.000 0.247 278 V C 3.031 179.223 176.094 0.164 0.000 1.051 278 V CA 1.876 64.321 62.300 0.242 0.000 1.036 278 V CB -1.329 30.594 31.823 0.167 0.000 0.654 278 V HN 0.613 nan 8.190 nan 0.000 0.451 279 A N -0.789 122.145 122.820 0.189 0.000 1.902 279 A HA -0.269 4.066 4.320 0.024 0.000 0.217 279 A C 2.186 179.887 177.584 0.195 0.000 1.181 279 A CA 2.073 54.215 52.037 0.174 0.000 0.623 279 A CB -0.739 18.382 19.000 0.203 0.000 0.818 279 A HN 0.641 nan 8.150 nan 0.000 0.443 280 Y N 0.177 120.557 120.300 0.133 0.000 2.457 280 Y HA -0.020 4.545 4.550 0.024 0.000 0.292 280 Y C 2.334 178.257 175.900 0.038 0.000 1.125 280 Y CA 1.326 59.465 58.100 0.064 0.000 1.254 280 Y CB -0.315 38.228 38.460 0.139 0.000 1.012 280 Y HN 0.344 nan 8.280 nan 0.000 0.555 281 R N 0.224 120.731 120.500 0.011 0.000 2.073 281 R HA -0.189 4.166 4.340 0.024 0.000 0.229 281 R C 2.402 178.608 176.300 -0.156 0.000 1.120 281 R CA 1.649 57.680 56.100 -0.115 0.000 0.967 281 R CB -0.352 29.869 30.300 -0.132 0.000 0.862 281 R HN 0.513 nan 8.270 nan 0.000 0.436 282 Q N 0.716 120.466 119.800 -0.084 0.000 2.045 282 Q HA -0.231 4.123 4.340 0.024 0.000 0.206 282 Q C 2.203 178.136 176.000 -0.111 0.000 0.991 282 Q CA 2.043 57.800 55.803 -0.077 0.000 0.851 282 Q CB -0.254 28.469 28.738 -0.024 0.000 0.911 282 Q HN 0.503 nan 8.270 nan 0.000 0.418 283 L N 0.222 121.369 121.223 -0.128 0.000 2.013 283 L HA -0.246 4.108 4.340 0.024 0.000 0.212 283 L C 2.374 179.103 176.870 -0.235 0.000 1.073 283 L CA 1.887 56.624 54.840 -0.172 0.000 0.753 283 L CB -0.296 41.651 42.059 -0.186 0.000 0.890 283 L HN 0.280 nan 8.230 nan 0.000 0.432 284 S N -0.201 115.285 115.700 -0.357 0.000 2.355 284 S HA -0.149 4.336 4.470 0.024 0.000 0.222 284 S C 1.850 176.332 174.600 -0.197 0.000 1.031 284 S CA 1.314 59.309 58.200 -0.341 0.000 0.993 284 S CB -0.319 62.604 63.200 -0.461 0.000 0.859 284 S HN 0.356 nan 8.310 nan 0.000 0.453 285 L N 1.009 122.130 121.223 -0.171 0.000 2.056 285 L HA -0.050 4.305 4.340 0.024 0.000 0.207 285 L C 2.102 178.915 176.870 -0.096 0.000 1.078 285 L CA 1.017 55.785 54.840 -0.119 0.000 0.749 285 L CB -0.510 41.480 42.059 -0.115 0.000 0.901 285 L HN 0.289 nan 8.230 nan 0.000 0.433 286 L N -0.730 120.434 121.223 -0.097 0.000 2.275 286 L HA -0.182 4.173 4.340 0.024 0.000 0.215 286 L C 2.184 179.010 176.870 -0.074 0.000 1.119 286 L CA 0.710 55.503 54.840 -0.077 0.000 0.790 286 L CB -0.240 41.775 42.059 -0.073 0.000 0.919 286 L HN 0.293 nan 8.230 nan 0.000 0.443 287 L N -0.598 120.571 121.223 -0.090 0.000 2.599 287 L HA 0.053 4.408 4.340 0.024 0.000 0.230 287 L C 0.991 177.823 176.870 -0.062 0.000 1.141 287 L CA 0.187 54.980 54.840 -0.077 0.000 0.877 287 L CB 0.029 42.032 42.059 -0.094 0.000 1.009 287 L HN 0.328 nan 8.230 nan 0.000 0.447 288 R N -0.556 119.905 120.500 -0.064 0.000 3.804 288 R HA -0.112 4.243 4.340 0.024 0.000 0.459 288 R C -0.075 176.196 176.300 -0.048 0.000 1.009 288 R CA 0.426 56.496 56.100 -0.050 0.000 1.210 288 R CB -1.346 28.932 30.300 -0.036 0.000 1.860 288 R HN 0.344 nan 8.270 nan 0.000 0.526 289 R N 1.948 122.412 120.500 -0.061 0.000 2.401 289 R HA 0.162 4.516 4.340 0.024 0.000 0.299 289 R C -2.137 174.137 176.300 -0.044 0.000 1.064 289 R CA -1.509 54.561 56.100 -0.050 0.000 1.000 289 R CB 0.109 30.372 30.300 -0.063 0.000 0.973 289 R HN -0.135 nan 8.270 nan 0.000 0.438 290 P HA -0.054 nan 4.420 nan 0.000 0.257 290 P C -2.209 175.080 177.300 -0.019 0.000 1.162 290 P CA -0.453 62.635 63.100 -0.021 0.000 0.762 290 P CB -0.066 31.629 31.700 -0.009 0.000 0.753 291 P HA 0.079 nan 4.420 nan 0.000 0.271 291 P C 0.512 177.807 177.300 -0.010 0.000 1.226 291 P CA 0.367 63.451 63.100 -0.026 0.000 0.765 291 P CB 0.988 32.661 31.700 -0.046 0.000 0.835 292 G N 3.315 112.125 108.800 0.017 0.000 3.227 292 G HA2 0.233 4.208 3.960 0.024 0.000 0.171 292 G HA3 0.233 4.208 3.960 0.024 0.000 0.171 292 G C -0.248 174.630 174.900 -0.036 0.000 1.463 292 G CA -0.630 44.469 45.100 -0.001 0.000 1.016 292 G HN 0.511 nan 8.290 nan 0.000 0.594 293 R N 0.863 121.291 120.500 -0.119 0.000 2.585 293 R HA 0.077 4.432 4.340 0.024 0.000 0.275 293 R C 0.148 176.452 176.300 0.006 0.000 1.018 293 R CA 0.660 56.638 56.100 -0.203 0.000 1.072 293 R CB -0.145 29.756 30.300 -0.665 0.000 0.953 293 R HN 0.667 nan 8.270 nan 0.000 0.419 294 E N 2.626 122.845 120.200 0.032 0.000 2.365 294 E HA -0.336 4.029 4.350 0.024 0.000 0.237 294 E C 0.280 176.865 176.600 -0.024 0.000 1.238 294 E CA 0.499 56.957 56.400 0.097 0.000 0.718 294 E CB -1.474 28.415 29.700 0.316 0.000 1.218 294 E HN 0.859 nan 8.360 nan 0.000 0.387 295 A N -1.671 121.124 122.820 -0.042 0.000 2.790 295 A HA -0.293 4.041 4.320 0.024 0.000 0.277 295 A C -0.076 177.427 177.584 -0.134 0.000 1.435 295 A CA 1.769 53.747 52.037 -0.098 0.000 0.877 295 A CB -1.981 16.934 19.000 -0.141 0.000 1.007 295 A HN 0.446 nan 8.150 nan 0.000 0.613 296 Y N 0.285 120.622 120.300 0.062 0.000 2.299 296 Y HA 0.460 5.024 4.550 0.024 0.000 0.326 296 Y C -1.249 174.701 175.900 0.082 0.000 1.164 296 Y CA -1.517 56.645 58.100 0.103 0.000 1.234 296 Y CB 0.572 39.182 38.460 0.250 0.000 1.219 296 Y HN 0.234 nan 8.280 nan 0.000 0.497 297 P HA -0.011 nan 4.420 nan 0.000 0.271 297 P C 0.603 178.024 177.300 0.202 0.000 1.233 297 P CA 0.240 63.405 63.100 0.108 0.000 0.789 297 P CB 0.840 32.523 31.700 -0.029 0.000 0.951 298 G N 1.538 110.431 108.800 0.155 0.000 2.442 298 G HA2 -0.219 3.755 3.960 0.024 0.000 0.219 298 G HA3 -0.219 3.755 3.960 0.024 0.000 0.219 298 G C 0.672 175.716 174.900 0.239 0.000 1.141 298 G CA 0.744 45.950 45.100 0.176 0.000 0.763 298 G HN 0.655 nan 8.290 nan 0.000 0.554 299 D N 0.372 120.934 120.400 0.270 0.000 2.491 299 D HA 0.121 4.776 4.640 0.024 0.000 0.228 299 D C 1.640 178.154 176.300 0.356 0.000 1.183 299 D CA -0.404 53.798 54.000 0.337 0.000 0.827 299 D CB 0.316 41.328 40.800 0.354 0.000 0.989 299 D HN 0.129 nan 8.370 nan 0.000 0.494 300 V N -0.123 119.973 119.914 0.304 0.000 2.667 300 V HA -0.107 4.028 4.120 0.024 0.000 0.252 300 V C 1.737 177.797 176.094 -0.057 0.000 1.065 300 V CA 1.023 63.415 62.300 0.153 0.000 1.083 300 V CB -0.721 31.168 31.823 0.111 0.000 0.692 300 V HN 0.242 nan 8.190 nan 0.000 0.468 301 F N 0.357 120.265 119.950 -0.071 0.000 2.102 301 F HA -0.211 4.330 4.527 0.024 0.000 0.298 301 F C 2.149 177.971 175.800 0.036 0.000 1.105 301 F CA 2.384 60.341 58.000 -0.073 0.000 1.239 301 F CB -0.789 38.209 39.000 -0.004 0.000 0.991 301 F HN 0.345 nan 8.300 nan 0.000 0.474 302 Y N 0.690 120.908 120.300 -0.137 0.000 2.274 302 Y HA -0.146 4.419 4.550 0.024 0.000 0.290 302 Y C 2.112 177.915 175.900 -0.161 0.000 1.145 302 Y CA 1.489 59.462 58.100 -0.212 0.000 1.203 302 Y CB -0.772 37.706 38.460 0.030 0.000 0.984 302 Y HN 0.257 nan 8.280 nan 0.000 0.533 303 L N -0.088 121.015 121.223 -0.200 0.000 1.990 303 L HA -0.284 4.071 4.340 0.024 0.000 0.213 303 L C 2.205 178.993 176.870 -0.138 0.000 1.072 303 L CA 2.431 57.123 54.840 -0.245 0.000 0.755 303 L CB -0.989 40.875 42.059 -0.325 0.000 0.889 303 L HN 0.381 nan 8.230 nan 0.000 0.432 304 H N -1.511 117.377 119.070 -0.303 0.000 2.384 304 H HA -0.055 4.515 4.556 0.024 0.000 0.300 304 H C 2.405 177.495 175.328 -0.396 0.000 1.057 304 H CA 0.804 56.638 56.048 -0.358 0.000 1.370 304 H CB 0.050 29.623 29.762 -0.315 0.000 1.417 304 H HN 0.588 nan 8.280 nan 0.000 0.527 305 S N 2.045 117.510 115.700 -0.392 0.000 2.392 305 S HA -0.328 4.156 4.470 0.024 0.000 0.225 305 S C 2.177 176.626 174.600 -0.251 0.000 1.041 305 S CA 1.742 59.695 58.200 -0.413 0.000 1.100 305 S CB -0.567 62.246 63.200 -0.645 0.000 1.029 305 S HN 0.585 nan 8.310 nan 0.000 0.424 306 R N 1.149 121.468 120.500 -0.301 0.000 2.139 306 R HA -0.052 4.303 4.340 0.024 0.000 0.243 306 R C 2.392 178.658 176.300 -0.057 0.000 1.145 306 R CA 1.526 57.509 56.100 -0.195 0.000 0.976 306 R CB -0.852 29.213 30.300 -0.391 0.000 0.866 306 R HN 0.499 nan 8.270 nan 0.000 0.449 307 L N 1.156 122.348 121.223 -0.052 0.000 1.988 307 L HA -0.037 4.317 4.340 0.024 0.000 0.207 307 L C 2.192 178.948 176.870 -0.191 0.000 1.071 307 L CA 1.614 56.357 54.840 -0.162 0.000 0.744 307 L CB -0.280 41.412 42.059 -0.612 0.000 0.893 307 L HN 0.229 nan 8.230 nan 0.000 0.433 308 L N -0.622 120.462 121.223 -0.232 0.000 2.376 308 L HA -0.071 4.284 4.340 0.024 0.000 0.219 308 L C 2.350 179.181 176.870 -0.066 0.000 1.133 308 L CA 0.505 55.249 54.840 -0.161 0.000 0.816 308 L CB -0.447 41.500 42.059 -0.186 0.000 0.933 308 L HN 0.387 nan 8.230 nan 0.000 0.449 309 E N 0.171 120.336 120.200 -0.059 0.000 2.285 309 E HA -0.120 4.245 4.350 0.024 0.000 0.194 309 E C 2.002 178.603 176.600 0.002 0.000 0.997 309 E CA 0.406 56.795 56.400 -0.019 0.000 0.845 309 E CB 0.176 29.869 29.700 -0.012 0.000 0.782 309 E HN 0.443 nan 8.360 nan 0.000 0.491 310 R N 0.462 120.966 120.500 0.007 0.000 2.237 310 R HA 0.021 4.376 4.340 0.024 0.000 0.219 310 R C 0.702 177.023 176.300 0.036 0.000 1.080 310 R CA 0.420 56.537 56.100 0.029 0.000 0.995 310 R CB 0.119 30.449 30.300 0.049 0.000 0.875 310 R HN -0.089 nan 8.270 nan 0.000 0.462 311 A N 0.933 123.774 122.820 0.036 0.000 2.269 311 A HA 0.681 5.016 4.320 0.024 0.000 0.302 311 A C -0.548 177.049 177.584 0.022 0.000 1.266 311 A CA -0.238 51.821 52.037 0.036 0.000 0.894 311 A CB 0.738 19.769 19.000 0.051 0.000 1.147 311 A HN 0.238 nan 8.150 nan 0.000 0.537 312 A N 2.465 125.294 122.820 0.015 0.000 2.604 312 A HA 0.669 5.003 4.320 0.024 0.000 0.295 312 A C -0.718 176.866 177.584 -0.000 0.000 1.067 312 A CA -0.816 51.226 52.037 0.009 0.000 0.683 312 A CB 0.983 19.988 19.000 0.009 0.000 1.281 312 A HN 0.843 nan 8.150 nan 0.000 0.407 313 K N 1.969 122.371 120.400 0.003 0.000 2.316 313 K HA 0.553 4.888 4.320 0.024 0.000 0.289 313 K C -0.740 175.858 176.600 -0.004 0.000 1.070 313 K CA 0.000 56.286 56.287 -0.003 0.000 0.928 313 K CB -0.281 32.225 32.500 0.009 0.000 1.039 313 K HN 0.577 nan 8.250 nan 0.000 0.480 314 L N 2.973 124.179 121.223 -0.028 0.000 2.472 314 L HA 0.176 4.531 4.340 0.024 0.000 0.260 314 L C 0.726 177.594 176.870 -0.004 0.000 1.209 314 L CA -0.189 54.637 54.840 -0.025 0.000 0.817 314 L CB 0.867 42.894 42.059 -0.052 0.000 1.106 314 L HN 0.937 nan 8.230 nan 0.000 0.479 315 S N -0.391 115.308 115.700 -0.002 0.000 2.634 315 S HA 0.071 4.555 4.470 0.024 0.000 0.261 315 S C 0.855 175.461 174.600 0.010 0.000 1.271 315 S CA -0.533 57.674 58.200 0.012 0.000 0.985 315 S CB 1.123 64.327 63.200 0.006 0.000 0.968 315 S HN 0.682 nan 8.310 nan 0.000 0.568 316 E N 0.753 120.963 120.200 0.017 0.000 2.058 316 E HA -0.200 4.165 4.350 0.024 0.000 0.194 316 E C 1.868 178.467 176.600 -0.001 0.000 0.997 316 E CA 1.319 57.727 56.400 0.013 0.000 0.801 316 E CB -0.287 29.419 29.700 0.010 0.000 0.746 316 E HN 0.746 nan 8.360 nan 0.000 0.450 317 K N 0.274 120.671 120.400 -0.005 0.000 2.209 317 K HA -0.120 4.215 4.320 0.024 0.000 0.204 317 K C 1.024 177.611 176.600 -0.022 0.000 1.048 317 K CA 0.994 57.273 56.287 -0.012 0.000 0.940 317 K CB 0.182 32.676 32.500 -0.010 0.000 0.729 317 K HN 0.008 nan 8.250 nan 0.000 0.451 318 E N -0.566 119.619 120.200 -0.025 0.000 2.370 318 E HA 0.071 4.435 4.350 0.024 0.000 0.194 318 E C 0.615 177.180 176.600 -0.057 0.000 1.057 318 E CA 0.427 56.802 56.400 -0.041 0.000 1.011 318 E CB 0.846 30.523 29.700 -0.040 0.000 1.132 318 E HN 0.537 nan 8.360 nan 0.000 0.450 319 G N 1.296 110.068 108.800 -0.047 0.000 2.179 319 G HA2 -0.387 3.588 3.960 0.024 0.000 0.260 319 G HA3 -0.387 3.588 3.960 0.024 0.000 0.260 319 G C 0.696 175.564 174.900 -0.053 0.000 0.977 319 G CA 0.462 45.528 45.100 -0.056 0.000 0.641 319 G HN 0.207 nan 8.290 nan 0.000 0.533 320 S N -1.469 114.205 115.700 -0.043 0.000 3.270 320 S HA -0.177 4.308 4.470 0.024 0.000 0.293 320 S C 1.589 176.105 174.600 -0.140 0.000 1.278 320 S CA 1.604 59.785 58.200 -0.031 0.000 1.038 320 S CB -1.349 61.875 63.200 0.039 0.000 1.218 320 S HN 2.263 nan 8.310 nan 0.000 0.659 321 G N 1.373 110.057 108.800 -0.194 0.000 2.491 321 G HA2 0.468 4.442 3.960 0.024 0.000 0.242 321 G HA3 0.468 4.442 3.960 0.024 0.000 0.242 321 G C -0.083 174.629 174.900 -0.313 0.000 1.266 321 G CA 0.513 45.417 45.100 -0.326 0.000 0.844 321 G HN 1.002 nan 8.290 nan 0.000 0.571 322 S N 0.573 116.019 115.700 -0.423 0.000 2.570 322 S HA 0.694 5.179 4.470 0.024 0.000 0.286 322 S C -1.250 173.321 174.600 -0.049 0.000 1.099 322 S CA -0.881 57.213 58.200 -0.178 0.000 0.913 322 S CB 2.077 65.237 63.200 -0.066 0.000 1.085 322 S HN 0.788 nan 8.310 nan 0.000 0.480 323 L N 2.095 123.317 121.223 -0.002 0.000 2.356 323 L HA 0.719 5.074 4.340 0.024 0.000 0.277 323 L C -0.860 176.024 176.870 0.024 0.000 0.996 323 L CA 0.156 55.011 54.840 0.025 0.000 0.822 323 L CB 2.030 44.110 42.059 0.034 0.000 1.256 323 L HN 0.935 nan 8.230 nan 0.000 0.413 324 T N 4.645 119.210 114.554 0.018 0.000 2.833 324 T HA 0.773 5.138 4.350 0.024 0.000 0.297 324 T C -0.287 174.411 174.700 -0.002 0.000 1.015 324 T CA -0.360 61.746 62.100 0.011 0.000 0.963 324 T CB 1.212 70.083 68.868 0.005 0.000 0.955 324 T HN 0.756 nan 8.240 nan 0.000 0.449 325 A N 3.803 126.635 122.820 0.021 0.000 2.301 325 A HA 0.799 5.133 4.320 0.024 0.000 0.312 325 A C -0.359 177.246 177.584 0.035 0.000 1.182 325 A CA -0.687 51.373 52.037 0.038 0.000 0.826 325 A CB 0.364 19.469 19.000 0.175 0.000 1.134 325 A HN 0.873 nan 8.150 nan 0.000 0.501 326 L N 4.834 126.061 121.223 0.006 0.000 2.384 326 L HA 0.349 4.704 4.340 0.024 0.000 0.261 326 L C -2.331 174.576 176.870 0.061 0.000 1.024 326 L CA -1.725 53.128 54.840 0.022 0.000 0.899 326 L CB 1.880 43.938 42.059 -0.001 0.000 1.243 326 L HN 0.505 nan 8.230 nan 0.000 0.449 327 P HA 0.215 nan 4.420 nan 0.000 0.284 327 P C -0.698 176.606 177.300 0.007 0.000 1.253 327 P CA -0.300 62.846 63.100 0.077 0.000 0.800 327 P CB 2.157 33.826 31.700 -0.052 0.000 0.961 328 V N 4.506 124.413 119.914 -0.011 0.000 2.459 328 V HA 0.418 4.552 4.120 0.024 0.000 0.295 328 V C 0.317 176.398 176.094 -0.021 0.000 1.029 328 V CA -0.545 61.748 62.300 -0.011 0.000 0.874 328 V CB 1.628 33.448 31.823 -0.006 0.000 0.985 328 V HN 0.436 nan 8.190 nan 0.000 0.438 329 I N 3.606 124.176 120.570 0.000 0.000 2.499 329 I HA 0.409 4.594 4.170 0.024 0.000 0.288 329 I C -0.134 176.004 176.117 0.035 0.000 1.048 329 I CA -0.373 60.936 61.300 0.015 0.000 1.062 329 I CB 2.149 40.161 38.000 0.020 0.000 1.238 329 I HN 0.804 nan 8.210 nan 0.000 0.426 330 E N 5.161 125.383 120.200 0.037 0.000 2.109 330 E HA 0.363 4.728 4.350 0.024 0.000 0.278 330 E C -0.422 176.215 176.600 0.061 0.000 0.954 330 E CA -0.415 56.008 56.400 0.038 0.000 0.779 330 E CB 1.018 30.735 29.700 0.028 0.000 1.093 330 E HN 0.674 nan 8.360 nan 0.000 0.401 331 T N 2.064 116.666 114.554 0.080 0.000 2.922 331 T HA 0.289 4.654 4.350 0.024 0.000 0.285 331 T C 0.002 174.749 174.700 0.078 0.000 1.005 331 T CA -1.009 61.150 62.100 0.098 0.000 1.061 331 T CB 1.511 70.474 68.868 0.157 0.000 1.007 331 T HN 0.358 nan 8.240 nan 0.000 0.502 332 Q N 0.859 120.704 119.800 0.075 0.000 2.278 332 Q HA 0.438 4.792 4.340 0.024 0.000 0.257 332 Q C 1.225 177.259 176.000 0.058 0.000 0.928 332 Q CA 0.191 56.029 55.803 0.060 0.000 0.932 332 Q CB 1.231 30.004 28.738 0.059 0.000 1.221 332 Q HN 1.296 nan 8.270 nan 0.000 0.434 333 G N 2.049 110.877 108.800 0.046 0.000 2.296 333 G HA2 -0.295 3.680 3.960 0.024 0.000 0.282 333 G HA3 -0.295 3.680 3.960 0.024 0.000 0.282 333 G C 0.764 175.704 174.900 0.066 0.000 1.014 333 G CA 0.979 46.105 45.100 0.043 0.000 0.812 333 G HN 1.289 nan 8.290 nan 0.000 0.508 334 G N -0.693 108.168 108.800 0.102 0.000 2.295 334 G HA2 -0.095 3.879 3.960 0.024 0.000 0.287 334 G HA3 -0.095 3.879 3.960 0.024 0.000 0.287 334 G C -0.028 174.938 174.900 0.110 0.000 1.055 334 G CA 0.986 46.194 45.100 0.180 0.000 0.922 334 G HN 1.536 nan 8.290 nan 0.000 0.503 335 D N -0.310 120.135 120.400 0.075 0.000 2.443 335 D HA 0.448 5.103 4.640 0.024 0.000 0.221 335 D C 1.506 177.815 176.300 0.016 0.000 1.097 335 D CA -0.038 53.981 54.000 0.032 0.000 0.865 335 D CB 0.993 41.815 40.800 0.037 0.000 1.034 335 D HN 0.452 nan 8.370 nan 0.000 0.511 336 V N 1.294 121.175 119.914 -0.054 0.000 3.461 336 V HA 0.073 4.207 4.120 0.024 0.000 0.267 336 V C 1.367 177.434 176.094 -0.044 0.000 1.186 336 V CA 0.448 62.696 62.300 -0.087 0.000 1.154 336 V CB -0.209 31.462 31.823 -0.253 0.000 0.802 336 V HN 0.377 nan 8.190 nan 0.000 0.474 337 S N 0.812 116.499 115.700 -0.021 0.000 2.605 337 S HA 0.555 5.040 4.470 0.024 0.000 0.217 337 S C 1.230 175.854 174.600 0.040 0.000 0.958 337 S CA 0.326 58.527 58.200 0.003 0.000 0.919 337 S CB -0.106 63.092 63.200 -0.003 0.000 0.780 337 S HN 0.812 nan 8.310 nan 0.000 0.507 338 A N 0.702 123.553 122.820 0.052 0.000 2.409 338 A HA 0.281 4.615 4.320 0.024 0.000 0.246 338 A C 0.924 178.590 177.584 0.136 0.000 1.099 338 A CA -0.063 52.031 52.037 0.095 0.000 0.789 338 A CB -0.140 18.914 19.000 0.091 0.000 1.053 338 A HN 0.354 nan 8.150 nan 0.000 0.503 339 Y N 0.687 120.994 120.300 0.012 0.000 2.133 339 Y HA -0.172 4.392 4.550 0.024 0.000 0.287 339 Y C 1.927 177.800 175.900 -0.044 0.000 1.134 339 Y CA 2.034 60.127 58.100 -0.012 0.000 1.133 339 Y CB -0.158 38.301 38.460 -0.001 0.000 0.987 339 Y HN 0.478 nan 8.280 nan 0.000 0.502 340 I N 0.469 120.924 120.570 -0.193 0.000 2.252 340 I HA -0.146 4.038 4.170 0.024 0.000 0.245 340 I C -0.449 175.601 176.117 -0.111 0.000 1.102 340 I CA 1.074 62.194 61.300 -0.301 0.000 1.385 340 I CB -2.672 35.160 38.000 -0.280 0.000 1.064 340 I HN 0.162 nan 8.210 nan 0.000 0.414 341 P HA -0.158 nan 4.420 nan 0.000 0.213 341 P C 1.874 179.175 177.300 0.000 0.000 1.170 341 P CA 2.583 65.687 63.100 0.007 0.000 0.902 341 P CB -0.278 31.438 31.700 0.027 0.000 0.789 342 T N -3.339 111.215 114.554 0.001 0.000 2.746 342 T HA -0.174 4.190 4.350 0.024 0.000 0.267 342 T C 1.729 176.436 174.700 0.012 0.000 1.039 342 T CA 1.535 63.640 62.100 0.008 0.000 1.142 342 T CB -1.343 67.543 68.868 0.029 0.000 0.866 342 T HN -0.037 nan 8.240 nan 0.000 0.444 343 N N 1.373 120.056 118.700 -0.029 0.000 2.021 343 N HA -0.088 4.667 4.740 0.024 0.000 0.198 343 N C 1.901 177.478 175.510 0.112 0.000 1.041 343 N CA 1.455 54.523 53.050 0.030 0.000 0.862 343 N CB -0.936 37.474 38.487 -0.128 0.000 1.048 343 N HN 0.342 nan 8.380 nan 0.000 0.427 344 V N 1.003 120.948 119.914 0.053 0.000 2.548 344 V HA -0.078 4.056 4.120 0.024 0.000 0.249 344 V C 2.146 178.261 176.094 0.035 0.000 1.055 344 V CA 0.872 63.198 62.300 0.044 0.000 1.065 344 V CB -0.372 31.459 31.823 0.014 0.000 0.681 344 V HN 0.270 nan 8.190 nan 0.000 0.462 345 I N 1.318 121.909 120.570 0.035 0.000 2.264 345 I HA -0.232 3.952 4.170 0.024 0.000 0.248 345 I C 2.531 178.678 176.117 0.049 0.000 1.111 345 I CA 1.928 63.247 61.300 0.032 0.000 1.382 345 I CB -0.383 37.626 38.000 0.016 0.000 1.060 345 I HN 0.493 nan 8.210 nan 0.000 0.418 346 S N 0.136 115.883 115.700 0.078 0.000 2.561 346 S HA 0.051 4.535 4.470 0.024 0.000 0.225 346 S C 1.611 176.305 174.600 0.157 0.000 0.977 346 S CA 0.405 58.672 58.200 0.111 0.000 0.926 346 S CB -0.363 62.906 63.200 0.115 0.000 0.769 346 S HN 0.426 nan 8.310 nan 0.000 0.533 347 I N 1.670 122.315 120.570 0.124 0.000 2.681 347 I HA 0.060 4.244 4.170 0.024 0.000 0.247 347 I C 1.598 177.736 176.117 0.034 0.000 1.091 347 I CA 0.598 61.943 61.300 0.075 0.000 1.442 347 I CB -0.813 37.182 38.000 -0.008 0.000 1.219 347 I HN 0.313 nan 8.210 nan 0.000 0.451 348 T N -0.857 113.708 114.554 0.017 0.000 2.724 348 T HA -0.039 4.325 4.350 0.024 0.000 0.324 348 T C 0.410 175.124 174.700 0.023 0.000 1.071 348 T CA -0.173 61.934 62.100 0.011 0.000 1.061 348 T CB 0.382 69.254 68.868 0.007 0.000 0.990 348 T HN 0.120 nan 8.240 nan 0.000 0.543 349 D N 0.834 121.246 120.400 0.021 0.000 2.434 349 D HA 0.381 5.035 4.640 0.024 0.000 0.232 349 D C 0.973 177.289 176.300 0.026 0.000 1.166 349 D CA 0.592 54.607 54.000 0.024 0.000 0.830 349 D CB -0.359 40.453 40.800 0.021 0.000 0.960 349 D HN 1.006 nan 8.370 nan 0.000 0.497 350 G N 0.742 109.558 108.800 0.028 0.000 2.340 350 G HA2 0.151 4.125 3.960 0.024 0.000 0.527 350 G HA3 0.151 4.125 3.960 0.024 0.000 0.527 350 G C -1.806 173.117 174.900 0.038 0.000 1.381 350 G CA -1.077 44.042 45.100 0.032 0.000 1.001 350 G HN 0.052 nan 8.290 nan 0.000 0.626 351 Q N -0.659 119.171 119.800 0.050 0.000 2.305 351 Q HA 0.704 5.059 4.340 0.024 0.000 0.271 351 Q C -0.444 175.613 176.000 0.094 0.000 1.046 351 Q CA -0.615 55.231 55.803 0.072 0.000 0.798 351 Q CB 2.401 31.188 28.738 0.082 0.000 1.286 351 Q HN 0.657 nan 8.270 nan 0.000 0.435 352 I N 2.775 123.400 120.570 0.093 0.000 2.291 352 I HA 0.302 4.487 4.170 0.024 0.000 0.292 352 I C -0.878 175.322 176.117 0.138 0.000 1.064 352 I CA -0.580 60.778 61.300 0.097 0.000 1.269 352 I CB 0.289 38.322 38.000 0.055 0.000 1.418 352 I HN 0.541 nan 8.210 nan 0.000 0.485 353 F N 8.117 128.078 119.950 0.018 0.000 2.415 353 F HA 0.532 5.073 4.527 0.024 0.000 0.348 353 F C -0.701 175.112 175.800 0.022 0.000 1.119 353 F CA -0.678 57.331 58.000 0.015 0.000 1.069 353 F CB 0.769 39.777 39.000 0.013 0.000 1.124 353 F HN 0.185 nan 8.300 nan 0.000 0.472 354 L N 6.230 126.971 121.223 -0.804 0.000 2.272 354 L HA 0.385 4.740 4.340 0.024 0.000 0.289 354 L C 0.012 176.344 176.870 -0.898 0.000 1.032 354 L CA -0.652 53.832 54.840 -0.594 0.000 0.810 354 L CB 1.100 42.961 42.059 -0.331 0.000 1.205 354 L HN 0.559 nan 8.230 nan 0.000 0.422 355 E N 1.494 121.430 120.200 -0.440 0.000 2.338 355 E HA 0.157 4.521 4.350 0.024 0.000 0.272 355 E C 0.513 177.064 176.600 -0.082 0.000 1.029 355 E CA -0.072 56.213 56.400 -0.192 0.000 0.872 355 E CB 1.910 31.628 29.700 0.030 0.000 1.015 355 E HN 0.771 nan 8.360 nan 0.000 0.417 356 A N 3.535 126.327 122.820 -0.046 0.000 1.968 356 A HA -0.192 4.142 4.320 0.024 0.000 0.217 356 A C 1.967 179.640 177.584 0.148 0.000 1.169 356 A CA 1.480 53.537 52.037 0.034 0.000 0.638 356 A CB -0.241 18.756 19.000 -0.006 0.000 0.812 356 A HN 0.710 nan 8.150 nan 0.000 0.446 357 E N 0.730 120.990 120.200 0.099 0.000 2.070 357 E HA -0.200 4.165 4.350 0.024 0.000 0.197 357 E C 1.678 178.374 176.600 0.160 0.000 1.004 357 E CA 1.879 58.345 56.400 0.110 0.000 0.805 357 E CB -0.498 29.243 29.700 0.069 0.000 0.744 357 E HN 0.597 nan 8.360 nan 0.000 0.451 358 L N -0.712 120.594 121.223 0.138 0.000 2.179 358 L HA 0.046 4.400 4.340 0.024 0.000 0.208 358 L C 2.342 179.300 176.870 0.147 0.000 1.096 358 L CA 0.712 55.624 54.840 0.121 0.000 0.779 358 L CB -0.441 41.672 42.059 0.090 0.000 0.922 358 L HN 0.154 nan 8.230 nan 0.000 0.443 359 F N -0.021 119.955 119.950 0.043 0.000 2.186 359 F HA -0.264 4.277 4.527 0.024 0.000 0.299 359 F C 2.480 178.323 175.800 0.072 0.000 1.090 359 F CA 1.307 59.328 58.000 0.036 0.000 1.307 359 F CB -0.172 38.836 39.000 0.014 0.000 1.019 359 F HN -0.030 nan 8.300 nan 0.000 0.489 360 Y N 0.900 121.314 120.300 0.190 0.000 2.439 360 Y HA 0.006 4.570 4.550 0.024 0.000 0.292 360 Y C 1.789 177.694 175.900 0.007 0.000 1.130 360 Y CA 1.261 59.420 58.100 0.099 0.000 1.254 360 Y CB -0.267 38.266 38.460 0.122 0.000 1.000 360 Y HN -0.095 nan 8.280 nan 0.000 0.554 361 K N -0.174 120.300 120.400 0.122 0.000 2.458 361 K HA 0.154 4.489 4.320 0.024 0.000 0.194 361 K C 1.102 177.665 176.600 -0.061 0.000 1.024 361 K CA 0.596 56.903 56.287 0.034 0.000 1.108 361 K CB -0.082 32.470 32.500 0.086 0.000 0.846 361 K HN 0.525 nan 8.250 nan 0.000 0.518 362 G N 1.720 110.433 108.800 -0.145 0.000 2.179 362 G HA2 -0.254 3.721 3.960 0.024 0.000 0.260 362 G HA3 -0.254 3.721 3.960 0.024 0.000 0.260 362 G C 0.165 174.980 174.900 -0.142 0.000 0.977 362 G CA -0.216 44.772 45.100 -0.186 0.000 0.641 362 G HN 0.293 nan 8.290 nan 0.000 0.533 363 I N 1.512 122.030 120.570 -0.087 0.000 2.256 363 I HA 0.373 4.557 4.170 0.024 0.000 0.294 363 I C 0.649 176.744 176.117 -0.036 0.000 1.127 363 I CA -0.179 61.102 61.300 -0.032 0.000 1.247 363 I CB 0.364 38.379 38.000 0.024 0.000 1.460 363 I HN 0.031 nan 8.210 nan 0.000 0.511 364 R N 6.456 126.918 120.500 -0.064 0.000 2.439 364 R HA 0.456 4.810 4.340 0.024 0.000 0.310 364 R C -2.626 173.673 176.300 -0.000 0.000 0.955 364 R CA -1.761 54.313 56.100 -0.043 0.000 0.853 364 R CB 1.484 31.689 30.300 -0.158 0.000 1.171 364 R HN 0.189 nan 8.270 nan 0.000 0.449 365 P HA 0.028 nan 4.420 nan 0.000 0.269 365 P C -0.288 177.058 177.300 0.077 0.000 1.215 365 P CA -0.079 63.059 63.100 0.065 0.000 0.780 365 P CB 0.907 32.633 31.700 0.043 0.000 0.898 366 A N 2.882 125.768 122.820 0.110 0.000 2.462 366 A HA 0.177 4.512 4.320 0.024 0.000 0.261 366 A C 0.713 178.316 177.584 0.032 0.000 1.323 366 A CA -0.304 51.788 52.037 0.093 0.000 0.913 366 A CB -1.142 17.960 19.000 0.169 0.000 1.028 366 A HN 0.521 nan 8.150 nan 0.000 0.511 367 I N 1.825 122.416 120.570 0.034 0.000 3.136 367 I HA -0.156 4.029 4.170 0.024 0.000 0.298 367 I C 0.481 176.642 176.117 0.075 0.000 1.232 367 I CA 0.140 61.466 61.300 0.044 0.000 1.379 367 I CB -0.239 37.796 38.000 0.058 0.000 1.411 367 I HN 0.293 nan 8.210 nan 0.000 0.532 368 N N 6.949 125.717 118.700 0.114 0.000 2.406 368 N HA 0.024 4.779 4.740 0.024 0.000 0.265 368 N C 0.764 176.359 175.510 0.141 0.000 1.203 368 N CA 0.054 53.205 53.050 0.167 0.000 0.945 368 N CB 1.291 39.985 38.487 0.344 0.000 1.165 368 N HN 0.395 nan 8.380 nan 0.000 0.485 369 V N 3.542 123.512 119.914 0.094 0.000 2.626 369 V HA -0.100 4.035 4.120 0.024 0.000 0.252 369 V C 2.226 178.357 176.094 0.062 0.000 1.067 369 V CA 2.007 64.353 62.300 0.076 0.000 1.081 369 V CB -0.785 31.078 31.823 0.067 0.000 0.686 369 V HN 0.765 nan 8.190 nan 0.000 0.468 370 G N -0.129 108.702 108.800 0.052 0.000 2.408 370 G HA2 -0.144 3.831 3.960 0.024 0.000 0.217 370 G HA3 -0.144 3.831 3.960 0.024 0.000 0.217 370 G C 1.115 176.031 174.900 0.026 0.000 1.150 370 G CA 0.571 45.688 45.100 0.029 0.000 0.776 370 G HN 0.463 nan 8.290 nan 0.000 0.542 371 L N 1.087 122.341 121.223 0.052 0.000 2.769 371 L HA 0.407 4.762 4.340 0.024 0.000 0.240 371 L C 0.429 177.339 176.870 0.068 0.000 1.163 371 L CA -0.156 54.689 54.840 0.009 0.000 0.962 371 L CB 0.529 42.526 42.059 -0.103 0.000 1.258 371 L HN -0.065 nan 8.230 nan 0.000 0.513 372 S N -0.816 114.940 115.700 0.093 0.000 2.482 372 S HA 0.768 5.252 4.470 0.024 0.000 0.303 372 S C -0.783 173.855 174.600 0.063 0.000 1.091 372 S CA -0.538 57.720 58.200 0.096 0.000 1.057 372 S CB 2.884 66.154 63.200 0.116 0.000 1.031 372 S HN -0.128 nan 8.310 nan 0.000 0.485 373 V N 2.293 122.241 119.914 0.055 0.000 2.932 373 V HA 0.695 4.830 4.120 0.024 0.000 0.307 373 V C -0.857 175.261 176.094 0.040 0.000 1.147 373 V CA -0.426 61.899 62.300 0.043 0.000 0.951 373 V CB 2.424 34.267 31.823 0.032 0.000 1.031 373 V HN 0.812 nan 8.190 nan 0.000 0.426 374 S N 5.161 120.883 115.700 0.036 0.000 2.437 374 S HA 0.529 5.014 4.470 0.024 0.000 0.305 374 S C 0.721 175.337 174.600 0.028 0.000 1.109 374 S CA -0.586 57.633 58.200 0.031 0.000 1.099 374 S CB 1.169 64.386 63.200 0.028 0.000 1.004 374 S HN 0.778 nan 8.310 nan 0.000 0.475 375 R N 2.483 122.998 120.500 0.026 0.000 2.276 375 R HA 0.101 4.455 4.340 0.024 0.000 0.196 375 R C 0.947 177.261 176.300 0.024 0.000 0.961 375 R CA 0.925 57.040 56.100 0.025 0.000 1.024 375 R CB 0.151 30.466 30.300 0.025 0.000 0.940 375 R HN 0.609 nan 8.270 nan 0.000 0.480 376 V N -5.508 114.420 119.914 0.023 0.000 3.261 376 V HA 0.399 4.533 4.120 0.024 0.000 0.330 376 V C 1.114 177.220 176.094 0.020 0.000 1.461 376 V CA 0.160 62.473 62.300 0.023 0.000 1.127 376 V CB 0.661 32.497 31.823 0.022 0.000 1.044 376 V HN 0.113 nan 8.190 nan 0.000 0.499 377 G N 1.675 110.487 108.800 0.020 0.000 2.396 377 G HA2 -0.112 3.863 3.960 0.024 0.000 0.214 377 G HA3 -0.112 3.863 3.960 0.024 0.000 0.214 377 G C 1.429 176.341 174.900 0.019 0.000 1.166 377 G CA 1.261 46.371 45.100 0.017 0.000 0.793 377 G HN 0.600 nan 8.290 nan 0.000 0.533 378 S N 1.286 117.001 115.700 0.024 0.000 2.440 378 S HA -0.018 4.467 4.470 0.024 0.000 0.238 378 S C 2.388 177.004 174.600 0.026 0.000 1.010 378 S CA 1.153 59.368 58.200 0.025 0.000 0.972 378 S CB -0.163 63.052 63.200 0.026 0.000 0.774 378 S HN 0.558 nan 8.310 nan 0.000 0.501 379 A N 0.533 123.370 122.820 0.028 0.000 2.147 379 A HA 0.652 4.986 4.320 0.024 0.000 0.211 379 A C 2.094 179.705 177.584 0.045 0.000 1.160 379 A CA 0.717 52.776 52.037 0.038 0.000 0.781 379 A CB -0.395 18.631 19.000 0.043 0.000 0.842 379 A HN 0.507 nan 8.150 nan 0.000 0.475 380 A N -0.965 121.870 122.820 0.025 0.000 2.044 380 A HA 0.183 4.517 4.320 0.024 0.000 0.213 380 A C 1.242 178.820 177.584 -0.010 0.000 1.169 380 A CA 0.210 52.249 52.037 0.002 0.000 0.724 380 A CB -0.311 18.675 19.000 -0.022 0.000 0.840 380 A HN 0.540 nan 8.150 nan 0.000 0.463 381 Q N 0.566 120.367 119.800 0.001 0.000 2.333 381 Q HA 0.165 4.520 4.340 0.024 0.000 0.299 381 Q C -0.593 175.407 176.000 0.001 0.000 1.067 381 Q CA -0.093 55.710 55.803 0.001 0.000 0.943 381 Q CB 0.476 29.223 28.738 0.015 0.000 1.233 381 Q HN 0.237 nan 8.270 nan 0.000 0.401 382 V N 5.882 125.794 119.914 -0.003 0.000 2.509 382 V HA -0.128 4.007 4.120 0.024 0.000 0.297 382 V C 1.218 177.321 176.094 0.016 0.000 1.014 382 V CA 0.589 62.890 62.300 0.002 0.000 1.127 382 V CB 0.504 32.332 31.823 0.009 0.000 0.925 382 V HN 0.863 nan 8.190 nan 0.000 0.480 383 K N 4.164 124.573 120.400 0.016 0.000 2.218 383 K HA -0.217 4.118 4.320 0.024 0.000 0.205 383 K C 2.052 178.667 176.600 0.025 0.000 1.046 383 K CA 1.499 57.798 56.287 0.020 0.000 0.933 383 K CB -0.157 32.353 32.500 0.017 0.000 0.728 383 K HN 0.807 nan 8.250 nan 0.000 0.454 384 A N 1.539 124.374 122.820 0.025 0.000 1.897 384 A HA -0.079 4.255 4.320 0.024 0.000 0.215 384 A C 2.173 179.782 177.584 0.041 0.000 1.181 384 A CA 0.862 52.917 52.037 0.030 0.000 0.620 384 A CB -0.457 18.556 19.000 0.022 0.000 0.821 384 A HN 0.142 nan 8.150 nan 0.000 0.443 385 L N -0.599 120.647 121.223 0.039 0.000 1.994 385 L HA -0.217 4.137 4.340 0.024 0.000 0.208 385 L C 2.655 179.553 176.870 0.047 0.000 1.071 385 L CA 2.031 56.898 54.840 0.046 0.000 0.745 385 L CB -0.348 41.735 42.059 0.041 0.000 0.892 385 L HN 0.457 nan 8.230 nan 0.000 0.431 386 K N -0.301 120.122 120.400 0.039 0.000 2.074 386 K HA -0.283 4.052 4.320 0.024 0.000 0.209 386 K C 2.084 178.707 176.600 0.038 0.000 1.048 386 K CA 1.811 58.120 56.287 0.036 0.000 0.926 386 K CB -0.015 32.503 32.500 0.031 0.000 0.713 386 K HN 0.384 nan 8.250 nan 0.000 0.444 387 Q N -0.259 119.567 119.800 0.043 0.000 2.079 387 Q HA -0.123 4.231 4.340 0.024 0.000 0.200 387 Q C 2.074 178.107 176.000 0.055 0.000 0.974 387 Q CA 1.763 57.595 55.803 0.047 0.000 0.840 387 Q CB 0.075 28.845 28.738 0.053 0.000 0.898 387 Q HN 0.389 nan 8.270 nan 0.000 0.430 388 V N -3.151 116.808 119.914 0.075 0.000 3.129 388 V HA 0.209 4.343 4.120 0.024 0.000 0.259 388 V C 1.708 177.824 176.094 0.036 0.000 1.116 388 V CA 1.104 63.454 62.300 0.083 0.000 1.127 388 V CB -0.346 31.579 31.823 0.170 0.000 0.742 388 V HN 0.199 nan 8.190 nan 0.000 0.474 389 A N 1.121 123.965 122.820 0.040 0.000 2.238 389 A HA 0.456 4.791 4.320 0.024 0.000 0.208 389 A C 1.623 179.222 177.584 0.024 0.000 1.177 389 A CA 0.497 52.556 52.037 0.036 0.000 0.804 389 A CB -1.261 17.768 19.000 0.049 0.000 0.823 389 A HN 0.940 nan 8.150 nan 0.000 0.482 390 G N -0.148 108.658 108.800 0.010 0.000 2.420 390 G HA2 0.177 4.152 3.960 0.024 0.000 0.273 390 G HA3 0.177 4.152 3.960 0.024 0.000 0.273 390 G C 0.655 175.560 174.900 0.009 0.000 0.671 390 G CA 0.724 45.827 45.100 0.005 0.000 1.054 390 G HN 0.830 nan 8.290 nan 0.000 0.295 391 S N 0.723 116.446 115.700 0.037 0.000 3.486 391 S HA -0.227 4.257 4.470 0.024 0.000 0.371 391 S C 1.525 176.198 174.600 0.123 0.000 1.001 391 S CA 0.793 59.036 58.200 0.071 0.000 1.164 391 S CB -0.842 62.395 63.200 0.063 0.000 0.911 391 S HN 0.946 nan 8.310 nan 0.000 0.472 392 L N 1.030 122.323 121.223 0.116 0.000 2.127 392 L HA 0.206 4.560 4.340 0.024 0.000 0.203 392 L C 2.037 179.034 176.870 0.211 0.000 1.080 392 L CA 2.395 57.347 54.840 0.186 0.000 0.768 392 L CB -0.556 41.576 42.059 0.122 0.000 0.924 392 L HN 0.272 nan 8.230 nan 0.000 0.444 393 K N 0.152 120.634 120.400 0.136 0.000 2.015 393 K HA -0.199 4.136 4.320 0.024 0.000 0.216 393 K C 1.936 178.604 176.600 0.112 0.000 1.052 393 K CA 2.477 58.830 56.287 0.110 0.000 0.937 393 K CB -0.796 31.752 32.500 0.081 0.000 0.719 393 K HN 0.411 nan 8.250 nan 0.000 0.446 394 L N -0.170 121.123 121.223 0.116 0.000 2.201 394 L HA -0.058 4.297 4.340 0.024 0.000 0.212 394 L C 2.282 179.239 176.870 0.145 0.000 1.105 394 L CA 0.851 55.755 54.840 0.106 0.000 0.775 394 L CB -0.471 41.644 42.059 0.093 0.000 0.913 394 L HN 0.195 nan 8.230 nan 0.000 0.440 395 F N 0.698 120.679 119.950 0.052 0.000 2.098 395 F HA -0.143 4.398 4.527 0.022 0.000 0.294 395 F C 2.114 177.982 175.800 0.114 0.000 1.107 395 F CA 1.394 59.433 58.000 0.066 0.000 1.234 395 F CB -0.276 38.751 39.000 0.045 0.000 1.002 395 F HN -0.161 nan 8.300 nan 0.000 0.472 396 L N 0.369 121.547 121.223 -0.075 0.000 2.042 396 L HA -0.224 4.131 4.340 0.024 0.000 0.210 396 L C 2.804 179.612 176.870 -0.105 0.000 1.076 396 L CA 1.371 56.145 54.840 -0.109 0.000 0.749 396 L CB -1.233 40.883 42.059 0.095 0.000 0.893 396 L HN 0.282 nan 8.230 nan 0.000 0.432 397 A N -0.782 122.005 122.820 -0.055 0.000 2.019 397 A HA -0.245 4.089 4.320 0.024 0.000 0.219 397 A C 2.216 179.742 177.584 -0.095 0.000 1.164 397 A CA 1.575 53.577 52.037 -0.058 0.000 0.644 397 A CB -0.374 18.618 19.000 -0.014 0.000 0.805 397 A HN 0.511 nan 8.150 nan 0.000 0.449 398 Q N -2.099 117.633 119.800 -0.113 0.000 2.096 398 Q HA -0.126 4.228 4.340 0.024 0.000 0.197 398 Q C 2.012 177.927 176.000 -0.142 0.000 0.964 398 Q CA 1.545 57.288 55.803 -0.100 0.000 0.838 398 Q CB -0.335 28.380 28.738 -0.038 0.000 0.906 398 Q HN 0.891 nan 8.270 nan 0.000 0.444 399 Y N 1.282 121.326 120.300 -0.426 0.000 2.145 399 Y HA -0.155 4.408 4.550 0.022 0.000 0.286 399 Y C 1.895 177.682 175.900 -0.188 0.000 1.145 399 Y CA 1.489 59.359 58.100 -0.383 0.000 1.148 399 Y CB -0.160 37.905 38.460 -0.659 0.000 0.981 399 Y HN -0.162 nan 8.280 nan 0.000 0.507 400 R N 0.419 120.510 120.500 -0.682 0.000 2.152 400 R HA -0.127 4.228 4.340 0.024 0.000 0.232 400 R C 2.210 178.311 176.300 -0.332 0.000 1.117 400 R CA 1.591 57.303 56.100 -0.647 0.000 0.981 400 R CB -0.180 29.886 30.300 -0.389 0.000 0.870 400 R HN 0.563 nan 8.270 nan 0.000 0.451 401 E N -0.219 119.854 120.200 -0.212 0.000 2.072 401 E HA -0.119 4.246 4.350 0.024 0.000 0.190 401 E C 1.981 178.539 176.600 -0.071 0.000 0.982 401 E CA 1.046 57.378 56.400 -0.113 0.000 0.803 401 E CB 0.143 29.797 29.700 -0.076 0.000 0.755 401 E HN 0.091 nan 8.360 nan 0.000 0.453 402 V N 1.502 121.378 119.914 -0.064 0.000 2.343 402 V HA -0.251 3.883 4.120 0.024 0.000 0.247 402 V C 2.264 178.367 176.094 0.015 0.000 1.051 402 V CA 1.872 64.188 62.300 0.027 0.000 1.036 402 V CB -0.575 31.290 31.823 0.071 0.000 0.654 402 V HN 0.293 nan 8.190 nan 0.000 0.451 403 A N -0.614 122.144 122.820 -0.102 0.000 2.216 403 A HA 0.117 4.451 4.320 0.024 0.000 0.214 403 A C 2.247 179.759 177.584 -0.120 0.000 1.160 403 A CA 1.527 53.491 52.037 -0.121 0.000 0.725 403 A CB -0.416 18.426 19.000 -0.264 0.000 0.784 403 A HN 0.551 nan 8.150 nan 0.000 0.472 404 A N -1.147 121.616 122.820 -0.095 0.000 1.878 404 A HA 0.136 4.470 4.320 0.024 0.000 0.213 404 A C 1.756 179.303 177.584 -0.061 0.000 1.192 404 A CA 1.100 53.093 52.037 -0.073 0.000 0.619 404 A CB -0.554 18.417 19.000 -0.049 0.000 0.837 404 A HN 0.650 nan 8.150 nan 0.000 0.446 405 F N 1.121 120.969 119.950 -0.170 0.000 2.771 405 F HA 0.272 4.794 4.527 -0.007 0.000 0.299 405 F C 1.829 177.397 175.800 -0.387 0.000 1.177 405 F CA 0.317 58.178 58.000 -0.232 0.000 1.450 405 F CB -0.104 38.830 39.000 -0.109 0.000 1.114 405 F HN 0.183 nan 8.300 nan 0.000 0.587 406 A N -0.073 122.541 122.820 -0.344 0.000 2.268 406 A HA -0.011 4.323 4.320 0.024 0.000 0.221 406 A C 1.865 179.166 177.584 -0.472 0.000 1.287 406 A CA 0.322 52.135 52.037 -0.373 0.000 0.902 406 A CB -0.784 18.134 19.000 -0.136 0.000 0.877 406 A HN 0.439 nan 8.150 nan 0.000 0.487 407 Q N 0.174 119.547 119.800 -0.711 0.000 2.181 407 Q HA -0.076 4.279 4.340 0.024 0.000 0.205 407 Q C 0.133 175.879 176.000 -0.424 0.000 0.980 407 Q CA 1.323 56.807 55.803 -0.533 0.000 0.862 407 Q CB -0.492 27.943 28.738 -0.505 0.000 0.905 407 Q HN 0.735 nan 8.270 nan 0.000 0.429 408 F N -2.809 117.019 119.950 -0.203 0.000 2.470 408 F HA 0.740 5.288 4.527 0.035 0.000 0.329 408 F C 1.119 176.843 175.800 -0.127 0.000 1.072 408 F CA -0.429 57.480 58.000 -0.152 0.000 0.989 408 F CB 1.227 40.129 39.000 -0.163 0.000 1.193 408 F HN 0.027 nan 8.300 nan 0.000 0.481 409 G N 1.260 110.137 108.800 0.129 0.000 2.731 409 G HA2 -0.227 3.747 3.960 0.024 0.000 0.218 409 G HA3 -0.227 3.747 3.960 0.024 0.000 0.218 409 G C 0.646 175.597 174.900 0.085 0.000 1.349 409 G CA -0.062 45.109 45.100 0.118 0.000 1.225 409 G HN 1.299 nan 8.290 nan 0.000 0.526 410 S N 0.156 115.896 115.700 0.066 0.000 2.603 410 S HA 0.388 4.873 4.470 0.024 0.000 0.220 410 S C 0.523 175.092 174.600 -0.052 0.000 0.967 410 S CA 1.525 59.721 58.200 -0.007 0.000 0.920 410 S CB 0.376 63.554 63.200 -0.037 0.000 0.773 410 S HN 0.739 nan 8.310 nan 0.000 0.529 411 D N 0.913 121.298 120.400 -0.024 0.000 2.739 411 D HA 0.303 4.958 4.640 0.024 0.000 0.335 411 D C -0.853 175.500 176.300 0.088 0.000 1.216 411 D CA -0.375 53.594 54.000 -0.051 0.000 0.808 411 D CB -0.063 40.531 40.800 -0.343 0.000 1.121 411 D HN 0.264 nan 8.370 nan 0.000 0.499 412 L N 1.771 123.032 121.223 0.064 0.000 2.385 412 L HA 0.260 4.615 4.340 0.024 0.000 0.281 412 L C 0.546 177.456 176.870 0.067 0.000 1.106 412 L CA -0.406 54.476 54.840 0.070 0.000 0.856 412 L CB 0.550 42.637 42.059 0.047 0.000 1.186 412 L HN 0.262 nan 8.230 nan 0.000 0.453 413 D N 2.425 122.879 120.400 0.090 0.000 2.339 413 D HA 0.294 4.949 4.640 0.024 0.000 0.245 413 D C 0.605 176.947 176.300 0.069 0.000 1.115 413 D CA 0.179 54.234 54.000 0.092 0.000 0.917 413 D CB 1.779 42.658 40.800 0.132 0.000 1.192 413 D HN 0.502 nan 8.370 nan 0.000 0.428 414 A N 2.320 125.176 122.820 0.059 0.000 2.014 414 A HA 0.051 4.385 4.320 0.024 0.000 0.210 414 A C 1.975 179.588 177.584 0.049 0.000 1.188 414 A CA 0.959 53.023 52.037 0.045 0.000 0.731 414 A CB -0.610 18.410 19.000 0.034 0.000 0.858 414 A HN 0.527 nan 8.150 nan 0.000 0.464 415 S N 0.651 116.386 115.700 0.058 0.000 2.406 415 S HA -0.163 4.321 4.470 0.024 0.000 0.211 415 S C 2.067 176.709 174.600 0.070 0.000 1.045 415 S CA 2.610 60.845 58.200 0.059 0.000 1.058 415 S CB -0.927 62.310 63.200 0.063 0.000 1.044 415 S HN 0.754 nan 8.310 nan 0.000 0.413 416 T N -0.986 113.623 114.554 0.091 0.000 3.160 416 T HA 0.211 4.576 4.350 0.024 0.000 0.257 416 T C 1.431 176.197 174.700 0.110 0.000 1.147 416 T CA 0.562 62.727 62.100 0.109 0.000 1.064 416 T CB -0.306 68.638 68.868 0.127 0.000 0.949 416 T HN 0.437 nan 8.240 nan 0.000 0.526 417 K N 0.655 121.109 120.400 0.089 0.000 2.362 417 K HA -0.042 4.292 4.320 0.024 0.000 0.200 417 K C 2.335 178.974 176.600 0.065 0.000 1.046 417 K CA 0.758 57.091 56.287 0.078 0.000 0.952 417 K CB -0.052 32.485 32.500 0.060 0.000 0.753 417 K HN 0.497 nan 8.250 nan 0.000 0.466 418 Q N -0.372 119.464 119.800 0.060 0.000 2.302 418 Q HA -0.069 4.285 4.340 0.024 0.000 0.202 418 Q C 1.583 177.618 176.000 0.058 0.000 0.936 418 Q CA 1.388 57.214 55.803 0.038 0.000 0.886 418 Q CB 0.316 29.066 28.738 0.019 0.000 0.986 418 Q HN 0.379 nan 8.270 nan 0.000 0.487 419 T N -1.368 113.256 114.554 0.117 0.000 2.995 419 T HA -0.082 4.282 4.350 0.024 0.000 0.269 419 T C 1.612 176.404 174.700 0.153 0.000 1.091 419 T CA 0.454 62.685 62.100 0.219 0.000 1.128 419 T CB -0.051 69.005 68.868 0.313 0.000 0.891 419 T HN 0.177 nan 8.240 nan 0.000 0.492 420 L N 0.955 122.255 121.223 0.128 0.000 2.217 420 L HA 0.171 4.526 4.340 0.024 0.000 0.211 420 L C 2.494 179.374 176.870 0.017 0.000 1.107 420 L CA 0.885 55.808 54.840 0.137 0.000 0.783 420 L CB -0.194 41.953 42.059 0.146 0.000 0.919 420 L HN 0.165 nan 8.230 nan 0.000 0.442 421 V N -1.249 118.665 119.914 -0.001 0.000 2.302 421 V HA -0.126 4.009 4.120 0.024 0.000 0.243 421 V C 2.650 178.694 176.094 -0.084 0.000 1.036 421 V CA 1.049 63.329 62.300 -0.034 0.000 1.020 421 V CB -0.676 31.133 31.823 -0.022 0.000 0.657 421 V HN 0.314 nan 8.190 nan 0.000 0.453 422 R N 0.742 121.204 120.500 -0.063 0.000 2.112 422 R HA -0.184 4.171 4.340 0.024 0.000 0.242 422 R C 2.442 178.669 176.300 -0.121 0.000 1.137 422 R CA 1.932 57.997 56.100 -0.059 0.000 0.944 422 R CB -1.384 28.919 30.300 0.005 0.000 0.857 422 R HN 0.585 nan 8.270 nan 0.000 0.435 423 G N 0.944 109.508 108.800 -0.394 0.000 2.545 423 G HA2 -0.305 3.670 3.960 0.024 0.000 0.217 423 G HA3 -0.305 3.670 3.960 0.024 0.000 0.217 423 G C 1.317 175.804 174.900 -0.687 0.000 1.218 423 G CA 0.954 45.276 45.100 -1.296 0.000 0.787 423 G HN 0.403 nan 8.290 nan 0.000 0.571 424 E N -0.217 119.748 120.200 -0.393 0.000 2.160 424 E HA -0.120 4.244 4.350 0.024 0.000 0.195 424 E C 2.864 179.435 176.600 -0.047 0.000 0.991 424 E CA 0.514 56.872 56.400 -0.069 0.000 0.810 424 E CB 0.048 29.755 29.700 0.012 0.000 0.742 424 E HN 0.151 nan 8.360 nan 0.000 0.466 425 R N 0.220 120.673 120.500 -0.079 0.000 2.066 425 R HA -0.069 4.285 4.340 0.024 0.000 0.232 425 R C 2.426 178.712 176.300 -0.023 0.000 1.131 425 R CA 0.877 56.946 56.100 -0.053 0.000 0.955 425 R CB -0.835 29.418 30.300 -0.079 0.000 0.851 425 R HN 0.240 nan 8.270 nan 0.000 0.432 426 L N 0.294 121.504 121.223 -0.021 0.000 2.093 426 L HA -0.115 4.240 4.340 0.024 0.000 0.208 426 L C 2.383 179.290 176.870 0.061 0.000 1.085 426 L CA 1.338 56.200 54.840 0.036 0.000 0.755 426 L CB -0.678 41.436 42.059 0.091 0.000 0.904 426 L HN 0.171 nan 8.230 nan 0.000 0.435 427 T N -1.091 113.496 114.554 0.054 0.000 2.635 427 T HA -0.247 4.117 4.350 0.024 0.000 0.267 427 T C 1.937 176.680 174.700 0.072 0.000 1.040 427 T CA 1.271 63.428 62.100 0.096 0.000 1.156 427 T CB -0.167 68.787 68.868 0.142 0.000 0.863 427 T HN 0.257 nan 8.240 nan 0.000 0.430 428 Q N 0.284 120.116 119.800 0.054 0.000 2.135 428 Q HA -0.032 4.323 4.340 0.024 0.000 0.204 428 Q C 2.379 178.418 176.000 0.065 0.000 0.981 428 Q CA 1.026 56.861 55.803 0.053 0.000 0.856 428 Q CB -0.728 28.036 28.738 0.044 0.000 0.902 428 Q HN 0.382 nan 8.270 nan 0.000 0.425 429 L N 0.049 121.313 121.223 0.068 0.000 2.093 429 L HA -0.095 4.260 4.340 0.024 0.000 0.208 429 L C 2.005 178.926 176.870 0.084 0.000 1.085 429 L CA 1.395 56.288 54.840 0.089 0.000 0.755 429 L CB -0.413 41.700 42.059 0.091 0.000 0.904 429 L HN 0.141 nan 8.230 nan 0.000 0.435 430 L N -0.929 120.339 121.223 0.076 0.000 2.341 430 L HA -0.029 4.325 4.340 0.024 0.000 0.214 430 L C 1.061 177.965 176.870 0.057 0.000 1.115 430 L CA 0.097 54.980 54.840 0.070 0.000 0.820 430 L CB -0.429 41.676 42.059 0.077 0.000 0.944 430 L HN 0.059 nan 8.230 nan 0.000 0.452 431 K N 1.487 121.919 120.400 0.052 0.000 2.561 431 K HA -0.027 4.308 4.320 0.024 0.000 0.280 431 K C -0.082 176.538 176.600 0.033 0.000 0.975 431 K CA 0.745 57.053 56.287 0.035 0.000 1.024 431 K CB 0.240 32.757 32.500 0.030 0.000 0.883 431 K HN 0.073 nan 8.250 nan 0.000 0.496 432 Q N 1.896 121.707 119.800 0.018 0.000 2.289 432 Q HA 0.160 4.515 4.340 0.024 0.000 0.270 432 Q C -1.203 174.799 176.000 0.004 0.000 1.038 432 Q CA -0.723 55.090 55.803 0.018 0.000 0.812 432 Q CB 1.509 30.257 28.738 0.017 0.000 1.300 432 Q HN 0.449 nan 8.270 nan 0.000 0.427 433 N N 2.376 121.087 118.700 0.018 0.000 2.454 433 N HA -0.014 4.741 4.740 0.024 0.000 0.254 433 N C -0.677 174.835 175.510 0.003 0.000 1.228 433 N CA 0.348 53.413 53.050 0.025 0.000 0.900 433 N CB 0.849 39.372 38.487 0.061 0.000 1.089 433 N HN 0.595 nan 8.380 nan 0.000 0.449 434 Q N 1.411 121.186 119.800 -0.042 0.000 2.395 434 Q HA -0.080 4.275 4.340 0.024 0.000 0.271 434 Q C -0.266 175.667 176.000 -0.111 0.000 1.026 434 Q CA 0.361 56.012 55.803 -0.253 0.000 0.900 434 Q CB 0.261 28.700 28.738 -0.497 0.000 1.266 434 Q HN 0.649 nan 8.270 nan 0.000 0.430 435 Y N -0.608 119.694 120.300 0.004 0.000 4.490 435 Y HA -0.247 4.318 4.550 0.024 0.000 0.233 435 Y C 0.168 176.094 175.900 0.044 0.000 1.101 435 Y CA 0.632 58.741 58.100 0.014 0.000 2.010 435 Y CB -2.092 36.397 38.460 0.048 0.000 1.622 435 Y HN 0.344 nan 8.280 nan 0.000 0.675 436 S N 1.013 116.782 115.700 0.115 0.000 2.312 436 S HA 0.257 4.741 4.470 0.024 0.000 0.211 436 S C -2.418 172.212 174.600 0.049 0.000 1.315 436 S CA -0.885 57.365 58.200 0.084 0.000 1.267 436 S CB 0.531 63.772 63.200 0.068 0.000 1.072 436 S HN 0.100 nan 8.310 nan 0.000 0.490 437 P HA 0.221 nan 4.420 nan 0.000 0.280 437 P C -0.431 176.881 177.300 0.021 0.000 1.300 437 P CA -0.231 62.890 63.100 0.035 0.000 0.785 437 P CB 0.411 32.137 31.700 0.044 0.000 0.874 438 L N 2.374 123.606 121.223 0.015 0.000 2.418 438 L HA 0.561 4.916 4.340 0.024 0.000 0.265 438 L C 1.177 178.042 176.870 -0.008 0.000 1.143 438 L CA -1.073 53.764 54.840 -0.006 0.000 0.809 438 L CB 0.310 42.366 42.059 -0.006 0.000 1.124 438 L HN 0.305 nan 8.230 nan 0.000 0.456 439 A N 1.016 123.810 122.820 -0.042 0.000 2.406 439 A HA 0.255 4.589 4.320 0.024 0.000 0.243 439 A C 1.238 178.828 177.584 0.009 0.000 1.082 439 A CA -0.128 51.883 52.037 -0.044 0.000 0.786 439 A CB 0.184 19.121 19.000 -0.106 0.000 1.029 439 A HN 0.891 nan 8.150 nan 0.000 0.495 440 T N 0.827 115.423 114.554 0.070 0.000 2.803 440 T HA -0.172 4.193 4.350 0.024 0.000 0.269 440 T C 1.662 176.377 174.700 0.026 0.000 1.052 440 T CA 1.736 63.881 62.100 0.075 0.000 1.136 440 T CB -0.224 68.721 68.868 0.128 0.000 0.864 440 T HN 0.880 nan 8.240 nan 0.000 0.467 441 E N 2.066 122.265 120.200 -0.000 0.000 2.204 441 E HA -0.178 4.187 4.350 0.024 0.000 0.194 441 E C 1.508 178.063 176.600 -0.076 0.000 0.989 441 E CA 1.111 57.487 56.400 -0.040 0.000 0.824 441 E CB -0.324 29.343 29.700 -0.055 0.000 0.756 441 E HN 0.593 nan 8.360 nan 0.000 0.477 442 E N 0.482 120.637 120.200 -0.075 0.000 2.427 442 E HA -0.055 4.310 4.350 0.024 0.000 0.196 442 E C 2.037 178.597 176.600 -0.067 0.000 1.028 442 E CA 0.356 56.696 56.400 -0.102 0.000 0.864 442 E CB 0.141 29.786 29.700 -0.092 0.000 0.813 442 E HN 0.412 nan 8.360 nan 0.000 0.514 443 Q N 0.169 119.954 119.800 -0.025 0.000 2.107 443 Q HA -0.068 4.286 4.340 0.024 0.000 0.195 443 Q C 2.618 178.635 176.000 0.028 0.000 0.964 443 Q CA 1.254 57.064 55.803 0.011 0.000 0.833 443 Q CB -0.084 28.673 28.738 0.031 0.000 0.910 443 Q HN 0.280 nan 8.270 nan 0.000 0.465 444 V N 0.312 120.239 119.914 0.021 0.000 2.392 444 V HA -0.124 4.010 4.120 0.024 0.000 0.249 444 V C -1.039 175.101 176.094 0.077 0.000 1.059 444 V CA 1.459 63.790 62.300 0.051 0.000 1.051 444 V CB -1.543 30.304 31.823 0.040 0.000 0.658 444 V HN 0.147 nan 8.190 nan 0.000 0.455 445 P HA -0.074 nan 4.420 nan 0.000 0.216 445 P C 2.073 179.502 177.300 0.215 0.000 1.153 445 P CA 1.668 64.782 63.100 0.022 0.000 0.848 445 P CB -0.120 31.441 31.700 -0.231 0.000 0.787 446 L N -1.320 119.996 121.223 0.155 0.000 2.017 446 L HA -0.163 4.192 4.340 0.024 0.000 0.208 446 L C 2.481 179.488 176.870 0.229 0.000 1.073 446 L CA 1.496 56.481 54.840 0.243 0.000 0.745 446 L CB -0.894 41.257 42.059 0.154 0.000 0.894 446 L HN -0.098 nan 8.230 nan 0.000 0.432 447 I N -1.509 119.161 120.570 0.165 0.000 2.286 447 I HA -0.337 3.848 4.170 0.024 0.000 0.248 447 I C 2.528 178.728 176.117 0.138 0.000 1.115 447 I CA 1.368 62.747 61.300 0.131 0.000 1.392 447 I CB -0.325 37.735 38.000 0.100 0.000 1.065 447 I HN 0.202 nan 8.210 nan 0.000 0.418 448 Y N 1.633 121.966 120.300 0.055 0.000 2.207 448 Y HA -0.304 4.261 4.550 0.026 0.000 0.287 448 Y C 2.530 178.446 175.900 0.027 0.000 1.156 448 Y CA 1.641 59.760 58.100 0.031 0.000 1.182 448 Y CB -0.111 38.358 38.460 0.015 0.000 0.979 448 Y HN 0.131 nan 8.280 nan 0.000 0.521 449 A N -0.372 122.615 122.820 0.277 0.000 1.968 449 A HA -0.001 4.334 4.320 0.024 0.000 0.217 449 A C 2.337 179.971 177.584 0.084 0.000 1.169 449 A CA 1.455 53.603 52.037 0.185 0.000 0.638 449 A CB -1.403 17.788 19.000 0.320 0.000 0.812 449 A HN 0.575 nan 8.150 nan 0.000 0.446 450 G N -0.557 108.281 108.800 0.065 0.000 2.473 450 G HA2 0.023 3.998 3.960 0.024 0.000 0.212 450 G HA3 0.023 3.998 3.960 0.024 0.000 0.212 450 G C 1.497 176.357 174.900 -0.067 0.000 1.211 450 G CA 0.970 46.069 45.100 -0.002 0.000 0.813 450 G HN 0.215 nan 8.290 nan 0.000 0.541 451 V N 2.068 121.932 119.914 -0.082 0.000 2.220 451 V HA -0.270 3.865 4.120 0.024 0.000 0.250 451 V C 2.675 178.650 176.094 -0.199 0.000 1.056 451 V CA 2.194 64.398 62.300 -0.160 0.000 1.016 451 V CB -0.540 31.200 31.823 -0.137 0.000 0.639 451 V HN 0.353 nan 8.190 nan 0.000 0.446 452 N N 0.051 118.631 118.700 -0.200 0.000 2.309 452 N HA -0.050 4.704 4.740 0.024 0.000 0.182 452 N C 1.501 176.952 175.510 -0.098 0.000 1.018 452 N CA 1.449 54.396 53.050 -0.171 0.000 0.876 452 N CB 0.131 38.464 38.487 -0.255 0.000 0.972 452 N HN 0.703 nan 8.380 nan 0.000 0.434 453 G N -0.144 108.629 108.800 -0.046 0.000 2.143 453 G HA2 -0.183 3.791 3.960 0.024 0.000 0.175 453 G HA3 -0.183 3.791 3.960 0.024 0.000 0.175 453 G C 0.159 174.985 174.900 -0.124 0.000 1.004 453 G CA -0.252 44.781 45.100 -0.112 0.000 0.671 453 G HN 0.526 nan 8.290 nan 0.000 0.512 454 H N -0.205 118.790 119.070 -0.126 0.000 2.574 454 H HA 0.279 4.850 4.556 0.025 0.000 0.277 454 H C 1.875 177.062 175.328 -0.235 0.000 1.058 454 H CA 0.748 56.719 56.048 -0.128 0.000 1.171 454 H CB 0.369 30.097 29.762 -0.056 0.000 1.304 454 H HN 0.414 nan 8.280 nan 0.000 0.620 455 L N -0.717 120.416 121.223 -0.150 0.000 2.920 455 L HA 0.065 4.420 4.340 0.024 0.000 0.257 455 L C 1.015 177.774 176.870 -0.185 0.000 1.150 455 L CA 0.039 54.721 54.840 -0.264 0.000 0.959 455 L CB 0.625 42.520 42.059 -0.272 0.000 1.321 455 L HN -0.031 nan 8.230 nan 0.000 0.555 456 D N 0.463 120.778 120.400 -0.141 0.000 2.309 456 D HA -0.110 4.545 4.640 0.024 0.000 0.212 456 D C 1.976 178.221 176.300 -0.091 0.000 0.968 456 D CA 1.261 55.196 54.000 -0.108 0.000 0.882 456 D CB 0.162 40.901 40.800 -0.101 0.000 0.918 456 D HN 0.336 nan 8.370 nan 0.000 0.503 457 G N -0.066 108.672 108.800 -0.103 0.000 2.490 457 G HA2 0.055 4.030 3.960 0.024 0.000 0.211 457 G HA3 0.055 4.030 3.960 0.024 0.000 0.211 457 G C 0.723 175.586 174.900 -0.062 0.000 1.159 457 G CA -0.309 44.746 45.100 -0.075 0.000 0.819 457 G HN 0.189 nan 8.290 nan 0.000 0.539 458 I N 1.885 122.398 120.570 -0.095 0.000 2.775 458 I HA 0.024 4.208 4.170 0.024 0.000 0.290 458 I C 0.253 176.358 176.117 -0.020 0.000 1.203 458 I CA -0.046 61.221 61.300 -0.054 0.000 1.433 458 I CB 0.610 38.503 38.000 -0.178 0.000 1.354 458 I HN 0.220 nan 8.210 nan 0.000 0.579 459 E N 3.963 124.185 120.200 0.037 0.000 2.404 459 E HA -0.039 4.326 4.350 0.024 0.000 0.261 459 E C 0.586 177.210 176.600 0.040 0.000 1.074 459 E CA -0.508 55.912 56.400 0.034 0.000 0.917 459 E CB 0.735 30.461 29.700 0.043 0.000 0.965 459 E HN 0.418 nan 8.360 nan 0.000 0.433 460 L N 2.328 123.567 121.223 0.028 0.000 2.291 460 L HA -0.110 4.244 4.340 0.024 0.000 0.214 460 L C 1.888 178.788 176.870 0.050 0.000 1.120 460 L CA 1.551 56.409 54.840 0.030 0.000 0.799 460 L CB -0.329 41.743 42.059 0.022 0.000 0.925 460 L HN 0.557 nan 8.230 nan 0.000 0.446 461 S N -2.090 113.643 115.700 0.055 0.000 2.631 461 S HA 0.121 4.605 4.470 0.024 0.000 0.217 461 S C 1.343 175.999 174.600 0.093 0.000 0.958 461 S CA -0.169 58.067 58.200 0.059 0.000 0.920 461 S CB -0.110 63.114 63.200 0.040 0.000 0.776 461 S HN 0.440 nan 8.310 nan 0.000 0.517 462 R N 0.098 120.681 120.500 0.138 0.000 2.582 462 R HA 0.423 4.777 4.340 0.024 0.000 0.453 462 R C 0.488 176.985 176.300 0.328 0.000 0.969 462 R CA -0.092 56.152 56.100 0.239 0.000 1.113 462 R CB 0.366 30.823 30.300 0.262 0.000 1.507 462 R HN 0.324 nan 8.270 nan 0.000 0.587 463 I N -0.924 119.772 120.570 0.210 0.000 2.480 463 I HA 0.019 4.204 4.170 0.024 0.000 0.251 463 I C 2.167 178.436 176.117 0.255 0.000 1.124 463 I CA 1.265 62.688 61.300 0.205 0.000 1.444 463 I CB -0.843 37.221 38.000 0.106 0.000 1.098 463 I HN 0.237 nan 8.210 nan 0.000 0.428 464 G N 0.924 109.840 108.800 0.192 0.000 2.422 464 G HA2 -0.253 3.722 3.960 0.024 0.000 0.218 464 G HA3 -0.253 3.722 3.960 0.024 0.000 0.218 464 G C 1.607 176.624 174.900 0.195 0.000 1.146 464 G CA 0.585 45.783 45.100 0.163 0.000 0.769 464 G HN 0.452 nan 8.290 nan 0.000 0.547 465 E N -0.242 120.115 120.200 0.261 0.000 2.017 465 E HA -0.162 4.202 4.350 0.024 0.000 0.193 465 E C 2.103 178.952 176.600 0.414 0.000 0.997 465 E CA 0.808 57.413 56.400 0.341 0.000 0.804 465 E CB -0.321 29.627 29.700 0.413 0.000 0.757 465 E HN 0.373 nan 8.360 nan 0.000 0.448 466 F N 1.960 122.070 119.950 0.267 0.000 2.147 466 F HA -0.282 4.261 4.527 0.026 0.000 0.301 466 F C 2.202 178.032 175.800 0.050 0.000 1.084 466 F CA 2.259 60.191 58.000 -0.113 0.000 1.268 466 F CB -0.093 38.702 39.000 -0.341 0.000 1.009 466 F HN 0.137 nan 8.300 nan 0.000 0.486 467 E N 0.095 120.338 120.200 0.073 0.000 2.015 467 E HA -0.218 4.147 4.350 0.024 0.000 0.191 467 E C 2.321 178.880 176.600 -0.068 0.000 0.991 467 E CA 1.829 58.220 56.400 -0.015 0.000 0.802 467 E CB -0.269 29.487 29.700 0.092 0.000 0.759 467 E HN 0.518 nan 8.360 nan 0.000 0.447 468 S N -0.165 115.546 115.700 0.018 0.000 2.383 468 S HA -0.091 4.393 4.470 0.024 0.000 0.227 468 S C 2.232 176.844 174.600 0.020 0.000 1.026 468 S CA 1.210 59.419 58.200 0.016 0.000 0.981 468 S CB -0.245 62.991 63.200 0.059 0.000 0.818 468 S HN 0.125 nan 8.310 nan 0.000 0.472 469 S N 1.084 116.844 115.700 0.100 0.000 2.382 469 S HA 0.064 4.548 4.470 0.024 0.000 0.228 469 S C 1.341 175.909 174.600 -0.052 0.000 1.027 469 S CA 1.105 59.442 58.200 0.228 0.000 0.991 469 S CB -0.484 63.084 63.200 0.613 0.000 0.823 469 S HN 0.583 nan 8.310 nan 0.000 0.469 470 F N 1.728 121.250 119.950 -0.712 0.000 2.416 470 F HA 0.274 4.815 4.527 0.025 0.000 0.296 470 F C 1.547 177.006 175.800 -0.568 0.000 1.099 470 F CA 0.141 57.400 58.000 -1.235 0.000 1.427 470 F CB -0.463 37.596 39.000 -1.567 0.000 1.079 470 F HN 0.095 nan 8.300 nan 0.000 0.536 471 L N -1.211 119.785 121.223 -0.378 0.000 2.007 471 L HA -0.179 4.176 4.340 0.024 0.000 0.205 471 L C 2.594 179.332 176.870 -0.219 0.000 1.073 471 L CA 1.332 55.975 54.840 -0.328 0.000 0.744 471 L CB -1.172 40.762 42.059 -0.208 0.000 0.898 471 L HN -0.068 nan 8.230 nan 0.000 0.435 472 S N -0.807 114.826 115.700 -0.111 0.000 2.372 472 S HA -0.306 4.179 4.470 0.024 0.000 0.227 472 S C 1.906 176.493 174.600 -0.022 0.000 1.044 472 S CA 2.013 60.189 58.200 -0.041 0.000 1.050 472 S CB -0.509 62.709 63.200 0.031 0.000 0.901 472 S HN 0.445 nan 8.310 nan 0.000 0.447 473 Y N 1.653 121.888 120.300 -0.108 0.000 2.165 473 Y HA -0.124 4.441 4.550 0.024 0.000 0.286 473 Y C 1.894 177.750 175.900 -0.075 0.000 1.155 473 Y CA 1.509 59.588 58.100 -0.034 0.000 1.164 473 Y CB -0.425 38.036 38.460 0.001 0.000 0.978 473 Y HN 0.186 nan 8.280 nan 0.000 0.513 474 L N -0.079 120.945 121.223 -0.331 0.000 2.072 474 L HA -0.172 4.182 4.340 0.024 0.000 0.205 474 L C 2.473 179.168 176.870 -0.292 0.000 1.079 474 L CA 1.427 56.032 54.840 -0.391 0.000 0.752 474 L CB -0.466 41.308 42.059 -0.475 0.000 0.906 474 L HN 0.111 nan 8.230 nan 0.000 0.436 475 K N -0.114 120.144 120.400 -0.237 0.000 2.074 475 K HA -0.196 4.138 4.320 0.024 0.000 0.209 475 K C 2.341 178.843 176.600 -0.163 0.000 1.048 475 K CA 1.924 58.105 56.287 -0.176 0.000 0.926 475 K CB -0.177 32.240 32.500 -0.140 0.000 0.713 475 K HN 0.407 nan 8.250 nan 0.000 0.444 476 S N 0.581 116.177 115.700 -0.174 0.000 2.356 476 S HA -0.040 4.445 4.470 0.024 0.000 0.219 476 S C 1.694 176.156 174.600 -0.229 0.000 1.036 476 S CA 0.930 59.034 58.200 -0.159 0.000 0.965 476 S CB -0.295 62.840 63.200 -0.108 0.000 0.864 476 S HN 0.168 nan 8.310 nan 0.000 0.471 477 N N 1.604 120.083 118.700 -0.368 0.000 2.131 477 N HA 0.043 4.798 4.740 0.024 0.000 0.190 477 N C 0.637 175.815 175.510 -0.553 0.000 1.055 477 N CA 1.346 54.075 53.050 -0.536 0.000 0.853 477 N CB -0.518 37.456 38.487 -0.856 0.000 1.035 477 N HN 0.521 nan 8.380 nan 0.000 0.440 478 H N 0.259 119.135 119.070 -0.323 0.000 2.595 478 H HA 0.201 4.772 4.556 0.025 0.000 0.264 478 H C 0.288 175.499 175.328 -0.194 0.000 1.503 478 H CA -0.131 55.785 56.048 -0.220 0.000 1.142 478 H CB -0.280 29.360 29.762 -0.203 0.000 1.554 478 H HN 0.270 nan 8.280 nan 0.000 0.501 479 N N 1.379 120.009 118.700 -0.117 0.000 2.309 479 N HA -0.159 4.596 4.740 0.024 0.000 0.182 479 N C 1.893 177.358 175.510 -0.075 0.000 1.018 479 N CA 0.847 53.834 53.050 -0.106 0.000 0.876 479 N CB 0.402 38.823 38.487 -0.110 0.000 0.972 479 N HN 0.446 nan 8.380 nan 0.000 0.434 480 E N 0.639 120.805 120.200 -0.057 0.000 2.160 480 E HA -0.202 4.162 4.350 0.024 0.000 0.195 480 E C 1.837 178.414 176.600 -0.038 0.000 0.991 480 E CA 0.892 57.268 56.400 -0.040 0.000 0.810 480 E CB -0.540 29.144 29.700 -0.026 0.000 0.742 480 E HN 0.512 nan 8.360 nan 0.000 0.466 481 L N 0.421 121.621 121.223 -0.039 0.000 2.068 481 L HA -0.032 4.323 4.340 0.024 0.000 0.204 481 L C 2.823 179.648 176.870 -0.075 0.000 1.076 481 L CA 0.743 55.547 54.840 -0.060 0.000 0.753 481 L CB -0.677 41.330 42.059 -0.086 0.000 0.910 481 L HN 0.040 nan 8.230 nan 0.000 0.439 482 L N -0.408 120.761 121.223 -0.091 0.000 2.191 482 L HA -0.155 4.200 4.340 0.024 0.000 0.212 482 L C 2.425 179.250 176.870 -0.074 0.000 1.103 482 L CA 1.174 55.954 54.840 -0.100 0.000 0.769 482 L CB -0.987 40.996 42.059 -0.125 0.000 0.908 482 L HN 0.285 nan 8.230 nan 0.000 0.438 483 T N -1.385 113.131 114.554 -0.063 0.000 3.014 483 T HA -0.105 4.259 4.350 0.024 0.000 0.263 483 T C 1.801 176.480 174.700 -0.034 0.000 1.078 483 T CA 0.680 62.751 62.100 -0.049 0.000 1.135 483 T CB 0.165 69.005 68.868 -0.048 0.000 0.895 483 T HN 0.319 nan 8.240 nan 0.000 0.480 484 E N 0.532 120.711 120.200 -0.036 0.000 2.112 484 E HA 0.012 4.376 4.350 0.024 0.000 0.190 484 E C 2.001 178.588 176.600 -0.022 0.000 0.979 484 E CA 0.497 56.881 56.400 -0.026 0.000 0.814 484 E CB -0.040 29.643 29.700 -0.028 0.000 0.762 484 E HN 0.455 nan 8.360 nan 0.000 0.460 485 I N 0.721 121.272 120.570 -0.031 0.000 2.179 485 I HA -0.283 3.901 4.170 0.024 0.000 0.242 485 I C 2.788 178.904 176.117 -0.002 0.000 1.088 485 I CA 1.018 62.305 61.300 -0.022 0.000 1.357 485 I CB -0.312 37.666 38.000 -0.037 0.000 1.051 485 I HN 0.052 nan 8.210 nan 0.000 0.409 486 R N 0.926 121.423 120.500 -0.004 0.000 2.096 486 R HA -0.185 4.170 4.340 0.024 0.000 0.235 486 R C 1.885 178.206 176.300 0.035 0.000 1.127 486 R CA 1.730 57.843 56.100 0.021 0.000 0.968 486 R CB 0.026 30.326 30.300 -0.000 0.000 0.861 486 R HN 0.472 nan 8.270 nan 0.000 0.440 487 E N -0.938 119.271 120.200 0.015 0.000 2.290 487 E HA -0.009 4.356 4.350 0.024 0.000 0.197 487 E C 1.814 178.422 176.600 0.013 0.000 0.948 487 E CA 0.226 56.636 56.400 0.017 0.000 0.895 487 E CB 0.347 30.051 29.700 0.006 0.000 0.865 487 E HN 0.162 nan 8.360 nan 0.000 0.486 488 K N -0.253 120.151 120.400 0.007 0.000 2.031 488 K HA -0.055 4.279 4.320 0.024 0.000 0.205 488 K C 1.369 177.975 176.600 0.009 0.000 1.049 488 K CA 1.131 57.421 56.287 0.005 0.000 0.939 488 K CB 0.081 32.581 32.500 -0.000 0.000 0.717 488 K HN 0.260 nan 8.250 nan 0.000 0.438 489 G N 0.900 109.707 108.800 0.012 0.000 2.225 489 G HA2 -0.268 3.706 3.960 0.024 0.000 0.254 489 G HA3 -0.268 3.706 3.960 0.024 0.000 0.254 489 G C -0.000 174.907 174.900 0.013 0.000 0.988 489 G CA 0.710 45.819 45.100 0.015 0.000 0.625 489 G HN 0.428 nan 8.290 nan 0.000 0.527 490 E N -0.965 119.241 120.200 0.009 0.000 2.469 490 E HA 0.801 5.165 4.350 0.024 0.000 0.246 490 E C -0.443 176.162 176.600 0.007 0.000 0.969 490 E CA -1.007 55.400 56.400 0.011 0.000 0.881 490 E CB 1.370 31.076 29.700 0.009 0.000 1.320 490 E HN 0.150 nan 8.360 nan 0.000 0.421 491 L N 1.728 122.958 121.223 0.012 0.000 2.457 491 L HA 0.233 4.588 4.340 0.024 0.000 0.266 491 L C -0.348 176.528 176.870 0.011 0.000 0.979 491 L CA -0.670 54.175 54.840 0.007 0.000 0.857 491 L CB 1.708 43.777 42.059 0.017 0.000 1.213 491 L HN 0.540 nan 8.230 nan 0.000 0.418 492 S N 1.424 117.126 115.700 0.003 0.000 2.579 492 S HA 0.207 4.691 4.470 0.024 0.000 0.275 492 S C 0.994 175.600 174.600 0.009 0.000 1.345 492 S CA -0.655 57.549 58.200 0.006 0.000 1.031 492 S CB 1.294 64.495 63.200 0.002 0.000 0.892 492 S HN 0.595 nan 8.310 nan 0.000 0.529 493 K N 1.372 121.781 120.400 0.015 0.000 2.152 493 K HA -0.163 4.171 4.320 0.024 0.000 0.206 493 K C 1.791 178.399 176.600 0.014 0.000 1.048 493 K CA 1.735 58.035 56.287 0.022 0.000 0.933 493 K CB -0.266 32.248 32.500 0.024 0.000 0.721 493 K HN 0.688 nan 8.250 nan 0.000 0.447 494 E N 0.788 120.992 120.200 0.006 0.000 2.150 494 E HA -0.143 4.221 4.350 0.024 0.000 0.193 494 E C 1.681 178.274 176.600 -0.013 0.000 0.985 494 E CA 0.652 57.053 56.400 0.001 0.000 0.814 494 E CB 0.047 29.748 29.700 0.001 0.000 0.752 494 E HN 0.063 nan 8.360 nan 0.000 0.466 495 L N -0.234 120.976 121.223 -0.020 0.000 2.375 495 L HA 0.110 4.464 4.340 0.024 0.000 0.215 495 L C 1.657 178.482 176.870 -0.075 0.000 1.108 495 L CA 0.707 55.520 54.840 -0.045 0.000 0.830 495 L CB 0.090 42.126 42.059 -0.039 0.000 0.959 495 L HN 0.126 nan 8.230 nan 0.000 0.457 496 L N -0.559 120.638 121.223 -0.043 0.000 2.068 496 L HA 0.046 4.400 4.340 0.024 0.000 0.204 496 L C 2.450 179.289 176.870 -0.051 0.000 1.076 496 L CA 1.750 56.565 54.840 -0.042 0.000 0.753 496 L CB -0.583 41.507 42.059 0.051 0.000 0.910 496 L HN 0.219 nan 8.230 nan 0.000 0.439 497 A N -2.094 120.723 122.820 -0.007 0.000 2.067 497 A HA -0.150 4.184 4.320 0.024 0.000 0.219 497 A C 2.468 180.032 177.584 -0.034 0.000 1.158 497 A CA 1.585 53.627 52.037 0.008 0.000 0.661 497 A CB -0.710 18.306 19.000 0.026 0.000 0.801 497 A HN 0.447 nan 8.150 nan 0.000 0.452 498 S N -0.788 114.873 115.700 -0.064 0.000 2.355 498 S HA -0.097 4.387 4.470 0.024 0.000 0.222 498 S C 1.874 176.371 174.600 -0.173 0.000 1.031 498 S CA 1.360 59.508 58.200 -0.086 0.000 0.993 498 S CB -0.370 62.790 63.200 -0.068 0.000 0.859 498 S HN 0.442 nan 8.310 nan 0.000 0.453 499 L N 2.190 123.269 121.223 -0.240 0.000 1.994 499 L HA -0.032 4.322 4.340 0.024 0.000 0.208 499 L C 2.329 178.983 176.870 -0.361 0.000 1.071 499 L CA 2.037 56.655 54.840 -0.369 0.000 0.745 499 L CB -0.754 40.970 42.059 -0.559 0.000 0.892 499 L HN 0.239 nan 8.230 nan 0.000 0.431 500 K N -1.191 119.014 120.400 -0.324 0.000 2.032 500 K HA -0.297 4.037 4.320 0.024 0.000 0.218 500 K C 2.366 178.977 176.600 0.018 0.000 1.054 500 K CA 2.207 58.472 56.287 -0.037 0.000 0.941 500 K CB -0.523 32.055 32.500 0.131 0.000 0.720 500 K HN 0.401 nan 8.250 nan 0.000 0.449 501 S N -0.342 115.359 115.700 0.001 0.000 2.351 501 S HA -0.178 4.307 4.470 0.024 0.000 0.220 501 S C 1.955 176.581 174.600 0.043 0.000 1.035 501 S CA 1.569 59.791 58.200 0.037 0.000 1.031 501 S CB -0.449 62.769 63.200 0.030 0.000 0.928 501 S HN 0.500 nan 8.310 nan 0.000 0.433 502 A N 0.173 122.958 122.820 -0.058 0.000 2.076 502 A HA -0.064 4.270 4.320 0.024 0.000 0.220 502 A C 2.210 179.930 177.584 0.228 0.000 1.160 502 A CA 2.165 54.202 52.037 -0.001 0.000 0.653 502 A CB -1.157 17.555 19.000 -0.481 0.000 0.801 502 A HN 0.659 nan 8.150 nan 0.000 0.455 503 T N 0.035 114.654 114.554 0.110 0.000 2.770 503 T HA -0.074 4.291 4.350 0.024 0.000 0.258 503 T C 1.700 176.435 174.700 0.058 0.000 1.039 503 T CA 1.458 63.579 62.100 0.035 0.000 1.143 503 T CB -0.252 68.532 68.868 -0.141 0.000 0.866 503 T HN 0.712 nan 8.240 nan 0.000 0.428 504 E N 1.646 121.930 120.200 0.140 0.000 2.150 504 E HA -0.075 4.290 4.350 0.024 0.000 0.193 504 E C 2.385 179.043 176.600 0.097 0.000 0.985 504 E CA 1.046 57.549 56.400 0.172 0.000 0.814 504 E CB -0.204 29.604 29.700 0.180 0.000 0.752 504 E HN 0.389 nan 8.360 nan 0.000 0.466 505 S N 0.474 116.242 115.700 0.114 0.000 2.359 505 S HA -0.207 4.277 4.470 0.024 0.000 0.224 505 S C 1.766 176.385 174.600 0.031 0.000 1.035 505 S CA 1.018 59.288 58.200 0.117 0.000 1.018 505 S CB -0.274 63.064 63.200 0.231 0.000 0.876 505 S HN 0.365 nan 8.310 nan 0.000 0.448 506 F N 1.576 121.408 119.950 -0.197 0.000 2.367 506 F HA 0.140 4.681 4.527 0.024 0.000 0.298 506 F C 2.050 177.726 175.800 -0.207 0.000 1.094 506 F CA 0.799 58.557 58.000 -0.402 0.000 1.409 506 F CB -0.250 38.354 39.000 -0.660 0.000 1.064 506 F HN 0.071 nan 8.300 nan 0.000 0.528 507 V N 0.375 120.239 119.914 -0.085 0.000 2.343 507 V HA -0.298 3.837 4.120 0.024 0.000 0.247 507 V C 2.708 178.742 176.094 -0.100 0.000 1.051 507 V CA 1.764 64.016 62.300 -0.080 0.000 1.036 507 V CB -1.430 30.398 31.823 0.008 0.000 0.654 507 V HN 0.415 nan 8.190 nan 0.000 0.451 508 A N -1.239 121.536 122.820 -0.075 0.000 2.131 508 A HA -0.153 4.181 4.320 0.024 0.000 0.220 508 A C 1.709 179.237 177.584 -0.094 0.000 1.158 508 A CA 1.903 53.904 52.037 -0.060 0.000 0.665 508 A CB -0.359 18.625 19.000 -0.026 0.000 0.795 508 A HN 0.489 nan 8.150 nan 0.000 0.460 509 T N -1.032 113.408 114.554 -0.191 0.000 3.064 509 T HA 0.561 4.925 4.350 0.024 0.000 0.367 509 T C -1.218 173.313 174.700 -0.282 0.000 1.202 509 T CA -0.507 61.462 62.100 -0.219 0.000 1.133 509 T CB -0.406 68.335 68.868 -0.212 0.000 1.074 509 T HN 0.261 nan 8.240 nan 0.000 0.519 510 F N 0.000 119.758 119.950 -0.319 0.000 2.286 510 F HA 0.000 4.541 4.527 0.024 0.000 0.279 510 F CA 0.000 57.843 58.000 -0.263 0.000 1.383 510 F CB 0.000 38.859 39.000 -0.235 0.000 1.145 510 F HN 0.000 nan 8.300 nan 0.000 0.574