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 3fks_1_J DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AXXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.490 175.510 -0.033 0.000 1.280 26 N CA 0.000 53.041 53.050 -0.015 0.000 0.885 26 N CB 0.000 38.475 38.487 -0.020 0.000 1.341 27 L N -0.239 120.954 121.223 -0.051 0.000 4.808 27 L HA -0.322 4.018 4.340 0.000 0.000 0.396 27 L C 0.555 177.347 176.870 -0.130 0.000 0.811 27 L CA 1.398 56.172 54.840 -0.111 0.000 2.140 27 L CB -1.599 40.390 42.059 -0.117 0.000 1.363 27 L HN 0.264 nan 8.230 nan 0.000 0.611 28 N N 0.013 118.662 118.700 -0.085 0.000 2.258 28 N HA -0.031 4.709 4.740 0.000 0.000 0.183 28 N C 1.534 177.000 175.510 -0.073 0.000 1.029 28 N CA 1.476 54.479 53.050 -0.077 0.000 0.857 28 N CB -0.006 38.450 38.487 -0.053 0.000 1.008 28 N HN 0.426 nan 8.380 nan 0.000 0.433 29 E N 0.323 120.487 120.200 -0.060 0.000 2.276 29 E HA 0.045 4.395 4.350 0.000 0.000 0.193 29 E C 0.462 177.023 176.600 -0.065 0.000 0.983 29 E CA 0.394 56.761 56.400 -0.056 0.000 0.861 29 E CB 0.056 29.732 29.700 -0.041 0.000 0.817 29 E HN 0.419 nan 8.360 nan 0.000 0.485 30 T N -1.111 113.404 114.554 -0.064 0.000 2.934 30 T HA 0.703 5.053 4.350 0.000 0.000 0.283 30 T C 0.361 175.014 174.700 -0.079 0.000 1.005 30 T CA -0.660 61.404 62.100 -0.061 0.000 1.041 30 T CB 2.269 71.116 68.868 -0.034 0.000 1.042 30 T HN 0.033 nan 8.240 nan 0.000 0.505 31 G N 0.865 109.625 108.800 -0.065 0.000 2.706 31 G HA2 0.603 4.563 3.960 0.000 0.000 0.297 31 G HA3 0.603 4.563 3.960 0.000 0.000 0.297 31 G C -1.310 173.597 174.900 0.013 0.000 1.403 31 G CA -1.008 44.060 45.100 -0.053 0.000 0.954 31 G HN 0.613 nan 8.290 nan 0.000 0.500 32 R N 0.858 121.409 120.500 0.086 0.000 2.562 32 R HA 0.467 4.807 4.340 0.000 0.000 0.298 32 R C -0.364 176.023 176.300 0.146 0.000 0.961 32 R CA -0.792 55.379 56.100 0.119 0.000 0.881 32 R CB 2.181 32.563 30.300 0.137 0.000 1.159 32 R HN 0.355 nan 8.270 nan 0.000 0.450 33 V N 4.797 124.795 119.914 0.139 0.000 2.529 33 V HA -0.028 4.092 4.120 0.000 0.000 0.292 33 V C 1.796 177.951 176.094 0.102 0.000 1.028 33 V CA 0.401 62.786 62.300 0.141 0.000 1.074 33 V CB 0.707 32.618 31.823 0.145 0.000 0.958 33 V HN 0.708 nan 8.190 nan 0.000 0.481 34 L N 4.722 126.005 121.223 0.099 0.000 2.168 34 L HA 0.483 4.823 4.340 0.000 0.000 0.203 34 L C 0.886 177.776 176.870 0.033 0.000 1.078 34 L CA 1.209 56.085 54.840 0.061 0.000 0.780 34 L CB 0.250 42.352 42.059 0.071 0.000 0.939 34 L HN 0.780 nan 8.230 nan 0.000 0.451 35 A N -1.375 121.467 122.820 0.036 0.000 2.604 35 A HA 0.622 4.942 4.320 0.000 0.000 0.295 35 A C -1.740 175.849 177.584 0.009 0.000 1.067 35 A CA -0.343 51.702 52.037 0.015 0.000 0.683 35 A CB 1.712 20.715 19.000 0.005 0.000 1.281 35 A HN -0.108 nan 8.150 nan 0.000 0.407 36 V N -0.182 119.725 119.914 -0.012 0.000 3.147 36 V HA 0.959 5.080 4.120 0.000 0.000 0.306 36 V C 0.007 176.076 176.094 -0.042 0.000 1.209 36 V CA 0.864 63.143 62.300 -0.035 0.000 1.023 36 V CB 2.231 34.018 31.823 -0.059 0.000 1.059 36 V HN 2.752 nan 8.190 nan 0.000 0.435 37 G N 2.426 111.193 108.800 -0.056 0.000 2.333 37 G HA2 0.395 4.355 3.960 0.000 0.000 0.330 37 G HA3 0.395 4.355 3.960 0.000 0.000 0.330 37 G C -0.823 174.046 174.900 -0.051 0.000 1.465 37 G CA 0.023 45.093 45.100 -0.050 0.000 0.996 37 G HN 1.155 nan 8.290 nan 0.000 0.655 38 D N -1.008 119.365 120.400 -0.046 0.000 2.772 38 D HA -0.091 4.549 4.640 0.000 0.000 0.233 38 D C 1.734 178.003 176.300 -0.052 0.000 1.143 38 D CA 3.079 57.053 54.000 -0.044 0.000 0.700 38 D CB -1.295 39.480 40.800 -0.042 0.000 1.076 38 D HN 2.410 nan 8.370 nan 0.000 0.430 39 G N -0.857 107.907 108.800 -0.060 0.000 2.186 39 G HA2 -0.338 3.622 3.960 0.000 0.000 0.266 39 G HA3 -0.338 3.622 3.960 0.000 0.000 0.266 39 G C 0.442 175.290 174.900 -0.087 0.000 0.982 39 G CA 0.714 45.772 45.100 -0.070 0.000 0.670 39 G HN 0.583 nan 8.290 nan 0.000 0.533 40 I N 0.303 120.826 120.570 -0.078 0.000 2.562 40 I HA 0.672 4.842 4.170 0.000 0.000 0.301 40 I C 0.293 176.375 176.117 -0.059 0.000 1.003 40 I CA -0.721 60.538 61.300 -0.068 0.000 1.127 40 I CB 2.178 40.145 38.000 -0.055 0.000 1.304 40 I HN 0.219 nan 8.210 nan 0.000 0.446 41 A N 5.411 128.218 122.820 -0.022 0.000 2.375 41 A HA 0.600 4.920 4.320 0.000 0.000 0.291 41 A C -0.631 176.993 177.584 0.066 0.000 1.160 41 A CA -0.652 51.401 52.037 0.026 0.000 0.747 41 A CB 0.702 19.751 19.000 0.082 0.000 1.170 41 A HN 0.739 nan 8.150 nan 0.000 0.458 42 R N 1.758 122.289 120.500 0.052 0.000 2.205 42 R HA 0.486 4.826 4.340 0.000 0.000 0.342 42 R C -0.760 175.596 176.300 0.093 0.000 1.058 42 R CA -0.144 55.992 56.100 0.059 0.000 0.904 42 R CB 1.146 31.470 30.300 0.039 0.000 1.089 42 R HN 0.467 nan 8.270 nan 0.000 0.471 43 V N 4.049 124.024 119.914 0.102 0.000 2.630 43 V HA 0.385 4.505 4.120 0.000 0.000 0.305 43 V C -0.513 175.669 176.094 0.146 0.000 1.046 43 V CA -0.872 61.501 62.300 0.121 0.000 0.934 43 V CB 1.607 33.481 31.823 0.085 0.000 1.003 43 V HN 0.490 nan 8.190 nan 0.000 0.451 44 F N 2.811 122.769 119.950 0.014 0.000 2.420 44 F HA 0.819 5.346 4.527 0.000 0.000 0.342 44 F C 0.595 176.393 175.800 -0.002 0.000 1.113 44 F CA 0.928 58.930 58.000 0.004 0.000 1.059 44 F CB 1.106 40.109 39.000 0.006 0.000 1.128 44 F HN 0.908 nan 8.300 nan 0.000 0.475 45 G N 4.142 112.465 108.800 -0.796 0.000 2.418 45 G HA2 -0.098 3.862 3.960 0.000 0.000 0.206 45 G HA3 -0.098 3.862 3.960 0.000 0.000 0.206 45 G C -0.294 174.424 174.900 -0.302 0.000 1.202 45 G CA -0.553 44.197 45.100 -0.583 0.000 1.061 45 G HN 1.362 nan 8.290 nan 0.000 0.563 46 L N -0.084 121.020 121.223 -0.199 0.000 3.795 46 L HA -0.217 4.123 4.340 0.000 0.000 0.489 46 L C 1.418 178.211 176.870 -0.129 0.000 1.259 46 L CA 0.450 55.207 54.840 -0.137 0.000 0.765 46 L CB -1.437 40.552 42.059 -0.116 0.000 1.519 46 L HN 0.629 nan 8.230 nan 0.000 0.842 47 N N 0.697 119.317 118.700 -0.134 0.000 2.135 47 N HA -0.069 4.671 4.740 0.000 0.000 0.186 47 N C 1.168 176.635 175.510 -0.071 0.000 1.027 47 N CA 1.489 54.474 53.050 -0.109 0.000 0.849 47 N CB -0.125 38.297 38.487 -0.109 0.000 1.002 47 N HN 0.557 nan 8.380 nan 0.000 0.425 48 N N 0.972 119.635 118.700 -0.062 0.000 2.485 48 N HA 0.007 4.747 4.740 0.000 0.000 0.199 48 N C 0.160 175.646 175.510 -0.039 0.000 1.236 48 N CA -0.082 52.941 53.050 -0.044 0.000 0.852 48 N CB -0.262 38.202 38.487 -0.038 0.000 1.018 48 N HN 0.271 nan 8.380 nan 0.000 0.457 49 I N 0.950 121.492 120.570 -0.046 0.000 2.696 49 I HA -0.029 4.141 4.170 0.000 0.000 0.284 49 I C 0.363 176.466 176.117 -0.024 0.000 1.129 49 I CA -0.164 61.113 61.300 -0.039 0.000 1.410 49 I CB 0.601 38.572 38.000 -0.048 0.000 1.399 49 I HN 0.075 nan 8.210 nan 0.000 0.579 50 Q N 4.822 124.614 119.800 -0.014 0.000 2.214 50 Q HA 0.656 4.996 4.340 0.000 0.000 0.251 50 Q C -0.473 175.529 176.000 0.004 0.000 0.936 50 Q CA -1.086 54.715 55.803 -0.004 0.000 0.894 50 Q CB 1.391 30.130 28.738 0.002 0.000 1.252 50 Q HN 0.802 nan 8.270 nan 0.000 0.448 51 A N 2.053 124.879 122.820 0.010 0.000 2.491 51 A HA 0.076 4.396 4.320 0.000 0.000 0.261 51 A C -0.017 177.584 177.584 0.029 0.000 1.101 51 A CA 0.268 52.316 52.037 0.019 0.000 0.772 51 A CB -0.242 18.771 19.000 0.023 0.000 1.043 51 A HN 0.933 nan 8.150 nan 0.000 0.501 52 E N -0.084 120.138 120.200 0.037 0.000 2.759 52 E HA -0.172 4.178 4.350 0.000 0.000 0.280 52 E C -0.076 176.561 176.600 0.061 0.000 1.009 52 E CA 1.092 57.528 56.400 0.059 0.000 0.849 52 E CB -1.271 28.468 29.700 0.064 0.000 1.415 52 E HN 0.907 nan 8.360 nan 0.000 0.412 53 E N 1.000 121.226 120.200 0.043 0.000 2.175 53 E HA 0.359 4.709 4.350 0.000 0.000 0.278 53 E C -0.245 176.385 176.600 0.050 0.000 0.969 53 E CA -0.759 55.666 56.400 0.041 0.000 0.796 53 E CB 0.824 30.533 29.700 0.015 0.000 1.104 53 E HN 0.007 nan 8.360 nan 0.000 0.395 54 L N 3.283 124.554 121.223 0.081 0.000 2.476 54 L HA 0.223 4.563 4.340 0.000 0.000 0.264 54 L C -0.175 176.712 176.870 0.030 0.000 1.224 54 L CA 0.137 55.044 54.840 0.111 0.000 0.821 54 L CB 1.002 43.165 42.059 0.172 0.000 1.101 54 L HN 0.439 nan 8.230 nan 0.000 0.488 55 V N -1.772 118.144 119.914 0.004 0.000 3.012 55 V HA 0.627 4.747 4.120 0.000 0.000 0.307 55 V C -0.916 175.090 176.094 -0.147 0.000 1.166 55 V CA -0.882 61.345 62.300 -0.123 0.000 0.974 55 V CB 1.750 33.419 31.823 -0.256 0.000 1.040 55 V HN 0.736 nan 8.190 nan 0.000 0.428 56 E N 1.631 121.722 120.200 -0.182 0.000 2.183 56 E HA 0.670 5.020 4.350 0.000 0.000 0.271 56 E C -1.520 174.958 176.600 -0.203 0.000 0.919 56 E CA -0.655 55.694 56.400 -0.086 0.000 0.781 56 E CB 1.611 31.310 29.700 -0.002 0.000 1.140 56 E HN 0.609 nan 8.360 nan 0.000 0.402 57 F N 1.009 120.979 119.950 0.033 0.000 2.375 57 F HA 0.191 4.718 4.527 0.000 0.000 0.317 57 F C 1.738 177.552 175.800 0.023 0.000 1.124 57 F CA -0.371 57.644 58.000 0.024 0.000 1.050 57 F CB 1.219 40.232 39.000 0.021 0.000 1.314 57 F HN 0.465 nan 8.300 nan 0.000 0.511 58 S N -0.507 115.337 115.700 0.239 0.000 2.447 58 S HA -0.146 4.324 4.470 0.000 0.000 0.233 58 S C 2.012 176.678 174.600 0.110 0.000 1.006 58 S CA 1.236 59.514 58.200 0.130 0.000 0.957 58 S CB -0.450 62.814 63.200 0.107 0.000 0.773 58 S HN 0.683 nan 8.310 nan 0.000 0.507 59 S N 0.336 116.113 115.700 0.129 0.000 2.425 59 S HA 0.343 4.813 4.470 0.000 0.000 0.225 59 S C 1.628 176.279 174.600 0.085 0.000 1.024 59 S CA 0.872 59.122 58.200 0.082 0.000 0.951 59 S CB -0.013 63.218 63.200 0.052 0.000 0.796 59 S HN 0.684 nan 8.310 nan 0.000 0.498 60 G N 0.136 109.009 108.800 0.122 0.000 2.367 60 G HA2 -0.146 3.814 3.960 0.000 0.000 0.181 60 G HA3 -0.146 3.814 3.960 0.000 0.000 0.181 60 G C 0.005 174.989 174.900 0.139 0.000 1.000 60 G CA -0.156 45.009 45.100 0.109 0.000 0.693 60 G HN 0.921 nan 8.290 nan 0.000 0.480 61 V N 2.207 122.219 119.914 0.164 0.000 2.508 61 V HA 0.620 4.740 4.120 0.000 0.000 0.281 61 V C 0.583 176.888 176.094 0.352 0.000 1.041 61 V CA 0.013 62.425 62.300 0.188 0.000 1.016 61 V CB 0.883 32.754 31.823 0.081 0.000 0.984 61 V HN 0.317 nan 8.190 nan 0.000 0.478 62 K N 4.503 125.109 120.400 0.343 0.000 2.419 62 K HA 0.900 5.220 4.320 0.000 0.000 0.246 62 K C 0.040 176.918 176.600 0.463 0.000 1.037 62 K CA -0.132 56.395 56.287 0.401 0.000 0.982 62 K CB 1.628 34.323 32.500 0.325 0.000 1.283 62 K HN 0.984 nan 8.250 nan 0.000 0.500 63 G N 0.109 109.117 108.800 0.347 0.000 2.368 63 G HA2 0.363 4.323 3.960 0.000 0.000 0.293 63 G HA3 0.363 4.323 3.960 0.000 0.000 0.293 63 G C -1.490 173.385 174.900 -0.041 0.000 1.467 63 G CA -0.979 44.050 45.100 -0.119 0.000 0.804 63 G HN 0.506 nan 8.290 nan 0.000 0.535 64 M N -0.136 119.325 119.600 -0.232 0.000 2.664 64 M HA 0.879 5.359 4.480 0.000 0.000 0.314 64 M C -0.180 176.092 176.300 -0.046 0.000 1.200 64 M CA -1.143 54.144 55.300 -0.022 0.000 0.916 64 M CB 2.493 35.160 32.600 0.112 0.000 1.717 64 M HN 1.094 nan 8.290 nan 0.000 0.470 65 A N 2.477 125.292 122.820 -0.008 0.000 2.249 65 A HA 0.646 4.967 4.320 0.000 0.000 0.314 65 A C 0.175 177.757 177.584 -0.002 0.000 1.290 65 A CA -0.761 51.269 52.037 -0.012 0.000 0.893 65 A CB 0.209 19.201 19.000 -0.014 0.000 1.165 65 A HN 1.037 nan 8.150 nan 0.000 0.530 66 L N 1.403 122.618 121.223 -0.014 0.000 2.425 66 L HA 0.166 4.506 4.340 0.000 0.000 0.215 66 L C 0.114 176.982 176.870 -0.002 0.000 1.065 66 L CA 0.260 55.097 54.840 -0.005 0.000 0.842 66 L CB 0.111 42.151 42.059 -0.032 0.000 1.033 66 L HN 0.577 nan 8.230 nan 0.000 0.474 67 N N 1.037 119.730 118.700 -0.012 0.000 2.609 67 N HA 0.340 5.080 4.740 0.000 0.000 0.234 67 N C -0.991 174.518 175.510 -0.002 0.000 1.001 67 N CA -0.013 53.033 53.050 -0.007 0.000 0.926 67 N CB 0.848 39.325 38.487 -0.015 0.000 1.130 67 N HN 0.030 nan 8.380 nan 0.000 0.510 68 L N 2.092 123.316 121.223 0.001 0.000 2.312 68 L HA 0.300 4.640 4.340 0.000 0.000 0.287 68 L C 0.518 177.389 176.870 0.002 0.000 1.091 68 L CA -0.144 54.695 54.840 -0.002 0.000 0.846 68 L CB 0.212 42.270 42.059 -0.003 0.000 1.219 68 L HN 0.331 nan 8.230 nan 0.000 0.439 69 E N 3.708 123.911 120.200 0.005 0.000 2.232 69 E HA 0.290 4.640 4.350 0.000 0.000 0.264 69 E C -1.620 174.990 176.600 0.016 0.000 0.973 69 E CA -1.829 54.578 56.400 0.012 0.000 0.849 69 E CB 1.304 31.014 29.700 0.017 0.000 1.198 69 E HN 0.270 nan 8.360 nan 0.000 0.407 70 P HA -0.174 nan 4.420 nan 0.000 0.216 70 P C 0.926 178.252 177.300 0.043 0.000 1.157 70 P CA 1.442 64.557 63.100 0.025 0.000 0.880 70 P CB 0.173 31.888 31.700 0.026 0.000 0.791 71 G N -2.283 106.559 108.800 0.069 0.000 2.850 71 G HA2 0.097 4.057 3.960 0.000 0.000 0.211 71 G HA3 0.097 4.057 3.960 0.000 0.000 0.211 71 G C 0.335 175.345 174.900 0.184 0.000 1.124 71 G CA -0.031 45.152 45.100 0.138 0.000 0.769 71 G HN 0.434 nan 8.290 nan 0.000 0.535 72 Q N -0.714 119.150 119.800 0.107 0.000 2.605 72 Q HA 0.747 5.087 4.340 0.000 0.000 0.296 72 Q C -1.771 174.254 176.000 0.041 0.000 1.056 72 Q CA -0.955 54.910 55.803 0.104 0.000 0.778 72 Q CB 2.544 31.343 28.738 0.102 0.000 1.497 72 Q HN -0.084 nan 8.270 nan 0.000 0.443 73 V N -0.202 119.733 119.914 0.034 0.000 2.823 73 V HA 0.731 4.851 4.120 0.000 0.000 0.312 73 V C -0.181 175.925 176.094 0.019 0.000 1.072 73 V CA -0.540 61.766 62.300 0.010 0.000 0.937 73 V CB 1.984 33.799 31.823 -0.013 0.000 1.013 73 V HN 0.906 nan 8.190 nan 0.000 0.430 74 G N 3.400 112.204 108.800 0.006 0.000 2.603 74 G HA2 0.645 4.605 3.960 0.000 0.000 0.324 74 G HA3 0.645 4.605 3.960 0.000 0.000 0.324 74 G C -0.965 173.931 174.900 -0.006 0.000 1.178 74 G CA -0.201 44.899 45.100 0.001 0.000 1.023 74 G HN 0.456 nan 8.290 nan 0.000 0.482 75 I N 2.276 122.856 120.570 0.017 0.000 2.359 75 I HA 0.297 4.467 4.170 0.000 0.000 0.294 75 I C 0.435 176.535 176.117 -0.029 0.000 0.987 75 I CA -0.858 60.450 61.300 0.014 0.000 1.225 75 I CB 2.109 40.176 38.000 0.111 0.000 1.366 75 I HN 0.341 nan 8.210 nan 0.000 0.466 76 V N 5.498 125.341 119.914 -0.118 0.000 2.407 76 V HA 0.543 4.663 4.120 0.000 0.000 0.278 76 V C -0.079 175.830 176.094 -0.308 0.000 1.037 76 V CA -0.840 61.352 62.300 -0.181 0.000 0.900 76 V CB 0.875 32.585 31.823 -0.188 0.000 0.983 76 V HN 0.479 nan 8.190 nan 0.000 0.459 77 L N 4.467 125.559 121.223 -0.218 0.000 2.367 77 L HA 0.340 4.681 4.340 0.000 0.000 0.275 77 L C 0.754 177.518 176.870 -0.176 0.000 1.129 77 L CA -0.137 54.579 54.840 -0.207 0.000 0.839 77 L CB 0.544 42.505 42.059 -0.164 0.000 1.133 77 L HN 0.632 nan 8.230 nan 0.000 0.453 78 F N 1.083 121.073 119.950 0.067 0.000 2.710 78 F HA 0.171 4.698 4.527 0.000 0.000 0.298 78 F C 1.413 177.239 175.800 0.043 0.000 1.137 78 F CA 0.052 58.092 58.000 0.067 0.000 1.444 78 F CB -0.150 38.900 39.000 0.083 0.000 1.111 78 F HN 0.514 nan 8.300 nan 0.000 0.580 79 G N -1.402 107.493 108.800 0.157 0.000 3.222 79 G HA2 0.356 4.316 3.960 0.000 0.000 0.263 79 G HA3 0.356 4.316 3.960 0.000 0.000 0.263 79 G C -0.870 174.040 174.900 0.018 0.000 1.312 79 G CA -0.567 44.586 45.100 0.089 0.000 0.934 79 G HN -0.081 nan 8.290 nan 0.000 0.577 80 S N -0.726 114.976 115.700 0.003 0.000 2.560 80 S HA 0.141 4.611 4.470 0.000 0.000 0.284 80 S C 1.025 175.583 174.600 -0.070 0.000 1.327 80 S CA 0.617 58.803 58.200 -0.024 0.000 1.055 80 S CB 0.613 63.804 63.200 -0.015 0.000 0.868 80 S HN 0.551 nan 8.310 nan 0.000 0.506 81 D N 2.967 123.320 120.400 -0.078 0.000 2.339 81 D HA 0.024 4.664 4.640 0.000 0.000 0.217 81 D C 1.626 177.868 176.300 -0.098 0.000 1.050 81 D CA 0.024 53.954 54.000 -0.117 0.000 0.856 81 D CB -0.102 40.638 40.800 -0.101 0.000 0.922 81 D HN 0.595 nan 8.370 nan 0.000 0.518 82 R N 0.854 121.315 120.500 -0.066 0.000 2.115 82 R HA -0.025 4.315 4.340 0.000 0.000 0.230 82 R C 1.591 177.859 176.300 -0.053 0.000 1.111 82 R CA 0.793 56.863 56.100 -0.049 0.000 0.976 82 R CB -0.238 30.044 30.300 -0.030 0.000 0.870 82 R HN 0.248 nan 8.270 nan 0.000 0.445 83 L N 0.803 121.987 121.223 -0.065 0.000 2.156 83 L HA 0.019 4.359 4.340 0.000 0.000 0.208 83 L C 0.569 177.392 176.870 -0.079 0.000 1.095 83 L CA 0.252 55.058 54.840 -0.057 0.000 0.770 83 L CB 0.032 42.062 42.059 -0.049 0.000 0.914 83 L HN -0.053 nan 8.230 nan 0.000 0.439 84 V N 1.219 121.046 119.914 -0.145 0.000 2.432 84 V HA 0.145 4.265 4.120 0.000 0.000 0.271 84 V C 0.146 176.190 176.094 -0.084 0.000 1.046 84 V CA -0.312 61.888 62.300 -0.168 0.000 0.945 84 V CB 0.986 32.586 31.823 -0.371 0.000 0.992 84 V HN 0.191 nan 8.190 nan 0.000 0.471 85 K N 2.839 123.220 120.400 -0.031 0.000 2.258 85 K HA 0.477 4.797 4.320 0.000 0.000 0.236 85 K C -0.160 176.447 176.600 0.012 0.000 1.008 85 K CA -0.889 55.392 56.287 -0.010 0.000 0.869 85 K CB 1.874 34.375 32.500 0.001 0.000 1.171 85 K HN 0.709 nan 8.250 nan 0.000 0.447 86 E N 0.458 120.665 120.200 0.011 0.000 2.376 86 E HA 0.054 4.404 4.350 0.000 0.000 0.266 86 E C 0.083 176.704 176.600 0.035 0.000 1.009 86 E CA 0.540 56.953 56.400 0.022 0.000 0.902 86 E CB 0.132 29.838 29.700 0.011 0.000 0.972 86 E HN 0.748 nan 8.360 nan 0.000 0.439 87 G N 3.641 112.473 108.800 0.053 0.000 2.248 87 G HA2 -0.268 3.692 3.960 0.000 0.000 0.252 87 G HA3 -0.268 3.692 3.960 0.000 0.000 0.252 87 G C -0.135 174.808 174.900 0.072 0.000 1.085 87 G CA 0.327 45.462 45.100 0.059 0.000 0.845 87 G HN 0.583 nan 8.290 nan 0.000 0.494 88 E N -0.808 119.452 120.200 0.100 0.000 2.313 88 E HA 0.628 4.978 4.350 0.000 0.000 0.272 88 E C 0.492 177.163 176.600 0.120 0.000 1.038 88 E CA -0.895 55.579 56.400 0.123 0.000 0.863 88 E CB 0.795 30.605 29.700 0.183 0.000 1.060 88 E HN 0.358 nan 8.360 nan 0.000 0.402 89 L N 4.742 126.020 121.223 0.093 0.000 2.418 89 L HA 0.227 4.567 4.340 0.000 0.000 0.274 89 L C -1.216 175.663 176.870 0.016 0.000 1.135 89 L CA 0.090 54.960 54.840 0.051 0.000 0.870 89 L CB 0.624 42.705 42.059 0.037 0.000 1.154 89 L HN 0.339 nan 8.230 nan 0.000 0.462 90 V N 6.183 126.067 119.914 -0.051 0.000 2.304 90 V HA 0.379 4.499 4.120 0.000 0.000 0.278 90 V C 0.152 176.144 176.094 -0.169 0.000 1.018 90 V CA -0.860 61.320 62.300 -0.201 0.000 0.814 90 V CB 0.845 32.511 31.823 -0.263 0.000 1.021 90 V HN 0.688 nan 8.190 nan 0.000 0.440 91 K N 3.961 124.264 120.400 -0.160 0.000 2.118 91 K HA 0.630 4.950 4.320 0.000 0.000 0.264 91 K C -0.023 176.499 176.600 -0.129 0.000 1.000 91 K CA -0.743 55.478 56.287 -0.110 0.000 0.929 91 K CB 1.636 34.096 32.500 -0.066 0.000 1.021 91 K HN 0.524 nan 8.250 nan 0.000 0.463 92 R N -0.034 120.412 120.500 -0.089 0.000 2.549 92 R HA 0.154 4.494 4.340 0.000 0.000 0.267 92 R C 0.894 177.166 176.300 -0.046 0.000 1.045 92 R CA -0.226 55.829 56.100 -0.074 0.000 1.115 92 R CB 0.851 31.115 30.300 -0.059 0.000 1.121 92 R HN 0.804 nan 8.270 nan 0.000 0.543 93 T N -3.141 111.395 114.554 -0.029 0.000 3.004 93 T HA 0.171 4.521 4.350 0.000 0.000 0.266 93 T C 1.335 176.033 174.700 -0.003 0.000 0.986 93 T CA 0.210 62.304 62.100 -0.009 0.000 0.902 93 T CB 0.690 69.563 68.868 0.009 0.000 1.118 93 T HN 0.811 nan 8.240 nan 0.000 0.522 94 G N 2.117 110.912 108.800 -0.008 0.000 2.200 94 G HA2 -0.278 3.682 3.960 0.000 0.000 0.268 94 G HA3 -0.278 3.682 3.960 0.000 0.000 0.268 94 G C -0.104 174.800 174.900 0.006 0.000 0.986 94 G CA 0.243 45.340 45.100 -0.004 0.000 0.677 94 G HN 0.619 nan 8.290 nan 0.000 0.532 95 N N -0.140 118.568 118.700 0.014 0.000 2.456 95 N HA 0.631 5.371 4.740 0.000 0.000 0.288 95 N C 0.047 175.576 175.510 0.033 0.000 1.059 95 N CA -0.437 52.625 53.050 0.021 0.000 0.946 95 N CB 1.147 39.647 38.487 0.023 0.000 1.150 95 N HN 0.149 nan 8.380 nan 0.000 0.479 96 I N 0.874 121.461 120.570 0.029 0.000 2.428 96 I HA 0.159 4.329 4.170 0.000 0.000 0.296 96 I C 0.183 176.322 176.117 0.037 0.000 0.985 96 I CA -0.867 60.455 61.300 0.037 0.000 1.260 96 I CB 0.996 39.011 38.000 0.025 0.000 1.389 96 I HN 0.192 nan 8.210 nan 0.000 0.484 97 V N 5.009 124.956 119.914 0.054 0.000 2.611 97 V HA -0.043 4.077 4.120 0.000 0.000 0.296 97 V C -0.226 175.878 176.094 0.017 0.000 1.006 97 V CA 0.229 62.555 62.300 0.043 0.000 1.194 97 V CB -1.577 30.284 31.823 0.064 0.000 0.871 97 V HN 0.894 nan 8.190 nan 0.000 0.470 98 D N 3.676 124.080 120.400 0.007 0.000 2.490 98 D HA 0.672 5.312 4.640 0.000 0.000 0.232 98 D C -0.755 175.541 176.300 -0.006 0.000 1.053 98 D CA -0.835 53.168 54.000 0.004 0.000 0.914 98 D CB 2.292 43.095 40.800 0.005 0.000 1.431 98 D HN 0.378 nan 8.370 nan 0.000 0.483 99 V N 0.086 119.998 119.914 -0.002 0.000 2.709 99 V HA 0.574 4.694 4.120 0.000 0.000 0.308 99 V C -2.667 173.411 176.094 -0.026 0.000 1.062 99 V CA -2.463 59.830 62.300 -0.012 0.000 0.901 99 V CB 2.378 34.203 31.823 0.004 0.000 1.003 99 V HN 0.579 nan 8.190 nan 0.000 0.425 100 P HA 0.117 nan 4.420 nan 0.000 0.264 100 P C -0.219 177.015 177.300 -0.110 0.000 1.236 100 P CA 0.523 63.579 63.100 -0.073 0.000 0.811 100 P CB 0.579 32.238 31.700 -0.069 0.000 0.840 101 V N 1.429 121.250 119.914 -0.155 0.000 3.211 101 V HA 1.000 5.120 4.120 0.000 0.000 0.319 101 V C 0.453 176.199 176.094 -0.580 0.000 1.096 101 V CA -0.050 62.089 62.300 -0.268 0.000 1.029 101 V CB 0.954 32.680 31.823 -0.162 0.000 1.137 101 V HN 0.863 nan 8.190 nan 0.000 0.453 102 G N 1.285 109.451 108.800 -1.056 0.000 2.343 102 G HA2 0.126 4.086 3.960 0.000 0.000 0.465 102 G HA3 0.126 4.086 3.960 0.000 0.000 0.465 102 G C -2.867 171.296 174.900 -1.229 0.000 1.282 102 G CA -0.098 44.007 45.100 -1.660 0.000 0.996 102 G HN 0.603 nan 8.290 nan 0.000 0.521 103 P HA 0.145 nan 4.420 nan 0.000 0.236 103 P C 1.661 178.838 177.300 -0.204 0.000 1.177 103 P CA 1.372 64.195 63.100 -0.462 0.000 0.773 103 P CB 0.134 31.671 31.700 -0.272 0.000 0.878 104 G N -0.628 108.025 108.800 -0.245 0.000 2.990 104 G HA2 -0.014 3.946 3.960 0.000 0.000 0.206 104 G HA3 -0.014 3.946 3.960 0.000 0.000 0.206 104 G C 0.693 175.541 174.900 -0.087 0.000 1.169 104 G CA 0.224 45.245 45.100 -0.131 0.000 0.819 104 G HN 0.205 nan 8.290 nan 0.000 0.517 105 L N -0.472 120.708 121.223 -0.071 0.000 2.858 105 L HA 0.412 4.753 4.340 0.000 0.000 0.251 105 L C 0.701 177.601 176.870 0.049 0.000 1.149 105 L CA 0.036 54.867 54.840 -0.015 0.000 0.955 105 L CB 0.418 42.464 42.059 -0.021 0.000 1.289 105 L HN 0.024 nan 8.230 nan 0.000 0.542 106 L N 0.437 121.710 121.223 0.084 0.000 2.360 106 L HA 0.439 4.779 4.340 0.000 0.000 0.276 106 L C 1.335 178.252 176.870 0.079 0.000 1.121 106 L CA 0.301 55.221 54.840 0.134 0.000 0.845 106 L CB 0.523 42.723 42.059 0.234 0.000 1.143 106 L HN 0.377 nan 8.230 nan 0.000 0.452 107 G N 1.921 110.752 108.800 0.052 0.000 2.143 107 G HA2 -0.201 3.759 3.960 0.000 0.000 0.249 107 G HA3 -0.201 3.759 3.960 0.000 0.000 0.249 107 G C 0.223 175.129 174.900 0.010 0.000 0.981 107 G CA -0.382 44.728 45.100 0.016 0.000 0.665 107 G HN 0.448 nan 8.290 nan 0.000 0.528 108 R N -0.809 119.701 120.500 0.018 0.000 2.873 108 R HA 0.778 5.118 4.340 0.000 0.000 0.264 108 R C -0.455 175.854 176.300 0.015 0.000 1.026 108 R CA -0.856 55.250 56.100 0.011 0.000 1.002 108 R CB 1.874 32.178 30.300 0.006 0.000 1.174 108 R HN 0.302 nan 8.270 nan 0.000 0.488 109 V N 2.126 122.047 119.914 0.011 0.000 2.409 109 V HA 0.393 4.513 4.120 0.000 0.000 0.290 109 V C -0.165 175.938 176.094 0.015 0.000 1.017 109 V CA -0.810 61.501 62.300 0.018 0.000 0.841 109 V CB 1.609 33.442 31.823 0.016 0.000 1.003 109 V HN 0.583 nan 8.190 nan 0.000 0.426 110 V N 0.988 120.912 119.914 0.018 0.000 2.960 110 V HA 0.815 4.935 4.120 0.000 0.000 0.315 110 V C -0.211 175.891 176.094 0.015 0.000 1.087 110 V CA -0.812 61.494 62.300 0.010 0.000 0.982 110 V CB 2.120 33.944 31.823 0.001 0.000 1.039 110 V HN 0.757 nan 8.190 nan 0.000 0.437 111 D N 2.165 122.569 120.400 0.006 0.000 2.425 111 D HA 0.412 5.052 4.640 0.000 0.000 0.274 111 D C 1.306 177.605 176.300 -0.001 0.000 1.242 111 D CA 0.168 54.172 54.000 0.007 0.000 1.060 111 D CB 0.983 41.783 40.800 0.001 0.000 1.112 111 D HN 0.796 nan 8.370 nan 0.000 0.561 112 A N -0.687 122.130 122.820 -0.005 0.000 1.972 112 A HA -0.078 4.242 4.320 0.000 0.000 0.219 112 A C 2.437 179.994 177.584 -0.045 0.000 1.169 112 A CA 1.177 53.207 52.037 -0.011 0.000 0.635 112 A CB -0.885 18.116 19.000 0.002 0.000 0.810 112 A HN 0.540 nan 8.150 nan 0.000 0.446 113 L N -1.896 119.277 121.223 -0.083 0.000 2.395 113 L HA 0.167 4.507 4.340 0.000 0.000 0.218 113 L C 1.686 178.518 176.870 -0.062 0.000 1.130 113 L CA 0.683 55.457 54.840 -0.110 0.000 0.826 113 L CB -0.175 41.788 42.059 -0.160 0.000 0.941 113 L HN 0.596 nan 8.230 nan 0.000 0.451 114 G N -0.403 108.372 108.800 -0.041 0.000 2.154 114 G HA2 -0.199 3.761 3.960 0.000 0.000 0.186 114 G HA3 -0.199 3.761 3.960 0.000 0.000 0.186 114 G C -0.301 174.582 174.900 -0.028 0.000 1.000 114 G CA -0.560 44.522 45.100 -0.030 0.000 0.664 114 G HN 0.281 nan 8.290 nan 0.000 0.513 115 N N 1.587 120.271 118.700 -0.027 0.000 2.472 115 N HA 0.516 5.256 4.740 0.000 0.000 0.277 115 N C -2.780 172.723 175.510 -0.011 0.000 1.081 115 N CA -1.698 51.340 53.050 -0.020 0.000 0.973 115 N CB 1.261 39.736 38.487 -0.020 0.000 1.105 115 N HN 0.041 nan 8.380 nan 0.000 0.470 116 P HA 0.105 nan 4.420 nan 0.000 0.265 116 P C 0.685 177.985 177.300 -0.000 0.000 1.222 116 P CA 0.035 63.132 63.100 -0.005 0.000 0.767 116 P CB 0.240 31.935 31.700 -0.007 0.000 0.801 117 I N 0.786 121.358 120.570 0.004 0.000 4.057 117 I HA 0.133 4.303 4.170 0.000 0.000 0.334 117 I C 0.699 176.820 176.117 0.007 0.000 1.308 117 I CA 0.191 61.495 61.300 0.007 0.000 1.125 117 I CB 0.026 38.033 38.000 0.013 0.000 1.034 117 I HN 0.083 nan 8.210 nan 0.000 0.401 118 D N 1.720 122.123 120.400 0.005 0.000 2.339 118 D HA 0.056 4.696 4.640 0.000 0.000 0.217 118 D C 1.482 177.782 176.300 0.001 0.000 1.050 118 D CA 0.536 54.537 54.000 0.003 0.000 0.856 118 D CB -0.135 40.665 40.800 0.001 0.000 0.922 118 D HN 0.429 nan 8.370 nan 0.000 0.518 119 G N 1.411 110.211 108.800 0.000 0.000 2.350 119 G HA2 -0.326 3.634 3.960 0.000 0.000 0.298 119 G HA3 -0.326 3.634 3.960 0.000 0.000 0.298 119 G C 0.450 175.349 174.900 -0.002 0.000 1.037 119 G CA 0.319 45.419 45.100 -0.001 0.000 1.074 119 G HN 0.446 nan 8.290 nan 0.000 0.511 120 K N -0.223 120.175 120.400 -0.003 0.000 2.478 120 K HA 0.474 4.794 4.320 0.000 0.000 0.205 120 K C 1.211 177.808 176.600 -0.005 0.000 1.033 120 K CA 0.238 56.522 56.287 -0.004 0.000 1.091 120 K CB 0.748 33.245 32.500 -0.004 0.000 0.844 120 K HN 1.494 nan 8.250 nan 0.000 0.507 121 G N 2.016 110.813 108.800 -0.005 0.000 2.434 121 G HA2 -0.148 3.812 3.960 0.000 0.000 0.671 121 G HA3 -0.148 3.812 3.960 0.000 0.000 0.671 121 G C -3.011 171.883 174.900 -0.010 0.000 1.280 121 G CA -1.256 43.840 45.100 -0.007 0.000 0.975 121 G HN -0.068 nan 8.290 nan 0.000 0.510 122 P HA 0.635 nan 4.420 nan 0.000 0.277 122 P C -0.139 177.147 177.300 -0.023 0.000 1.276 122 P CA -0.655 62.435 63.100 -0.017 0.000 0.788 122 P CB 0.501 32.190 31.700 -0.017 0.000 1.114 123 I N 0.975 121.527 120.570 -0.031 0.000 2.377 123 I HA 0.170 4.340 4.170 0.000 0.000 0.293 123 I C -0.369 175.714 176.117 -0.057 0.000 0.987 123 I CA -0.539 60.734 61.300 -0.044 0.000 1.185 123 I CB 0.953 38.925 38.000 -0.047 0.000 1.341 123 I HN 0.235 nan 8.210 nan 0.000 0.455 124 D N 5.556 125.914 120.400 -0.071 0.000 2.522 124 D HA 0.331 4.971 4.640 0.000 0.000 0.218 124 D C 0.516 176.740 176.300 -0.127 0.000 1.149 124 D CA -0.068 53.882 54.000 -0.084 0.000 0.981 124 D CB 0.631 41.385 40.800 -0.076 0.000 1.041 124 D HN 0.529 nan 8.370 nan 0.000 0.518 125 A N 1.601 124.352 122.820 -0.115 0.000 2.484 125 A HA 0.412 4.733 4.320 0.000 0.000 0.268 125 A C 1.444 178.935 177.584 -0.155 0.000 1.114 125 A CA -0.240 51.709 52.037 -0.147 0.000 0.780 125 A CB 0.362 19.300 19.000 -0.102 0.000 1.061 125 A HN 0.552 nan 8.150 nan 0.000 0.505 126 A N 2.619 125.291 122.820 -0.247 0.000 2.206 126 A HA 0.496 4.816 4.320 0.000 0.000 0.211 126 A C 1.171 178.697 177.584 -0.097 0.000 1.158 126 A CA 1.258 53.178 52.037 -0.194 0.000 0.761 126 A CB -0.371 18.433 19.000 -0.327 0.000 0.801 126 A HN 2.059 nan 8.150 nan 0.000 0.473 127 G N -1.256 107.478 108.800 -0.111 0.000 2.341 127 G HA2 0.516 4.476 3.960 0.000 0.000 0.299 127 G HA3 0.516 4.476 3.960 0.000 0.000 0.299 127 G C -1.520 173.353 174.900 -0.046 0.000 1.274 127 G CA -1.019 44.060 45.100 -0.036 0.000 0.853 127 G HN 0.195 nan 8.290 nan 0.000 0.493 128 R N -0.168 120.327 120.500 -0.009 0.000 2.533 128 R HA 0.638 4.978 4.340 0.000 0.000 0.288 128 R C -1.295 175.015 176.300 0.016 0.000 1.039 128 R CA -0.638 55.457 56.100 -0.008 0.000 0.909 128 R CB 2.209 32.503 30.300 -0.011 0.000 1.195 128 R HN 0.485 nan 8.270 nan 0.000 0.438 129 S N 2.088 117.801 115.700 0.022 0.000 2.513 129 S HA 0.480 4.950 4.470 0.000 0.000 0.299 129 S C -0.021 174.596 174.600 0.029 0.000 1.087 129 S CA -0.952 57.271 58.200 0.038 0.000 1.012 129 S CB 1.992 65.231 63.200 0.065 0.000 1.044 129 S HN 0.384 nan 8.310 nan 0.000 0.485 130 R N 0.567 121.083 120.500 0.026 0.000 2.863 130 R HA 0.286 4.626 4.340 0.000 0.000 0.273 130 R C 1.350 177.662 176.300 0.020 0.000 1.057 130 R CA 0.153 56.263 56.100 0.017 0.000 1.191 130 R CB 0.121 30.426 30.300 0.010 0.000 1.104 130 R HN 0.778 nan 8.270 nan 0.000 0.519 131 A N 1.112 123.934 122.820 0.002 0.000 1.903 131 A HA -0.045 4.275 4.320 0.000 0.000 0.213 131 A C 0.449 177.999 177.584 -0.056 0.000 1.185 131 A CA 0.837 52.873 52.037 -0.002 0.000 0.628 131 A CB 0.195 19.180 19.000 -0.025 0.000 0.830 131 A HN 0.490 nan 8.150 nan 0.000 0.446 132 Q N 1.005 120.736 119.800 -0.116 0.000 2.423 132 Q HA 0.418 4.758 4.340 0.000 0.000 0.235 132 Q C -1.152 174.816 176.000 -0.053 0.000 1.100 132 Q CA 0.105 55.808 55.803 -0.166 0.000 0.908 132 Q CB 0.808 29.435 28.738 -0.186 0.000 1.312 132 Q HN 0.227 nan 8.270 nan 0.000 0.497 133 V N 2.370 122.280 119.914 -0.008 0.000 2.628 133 V HA 0.341 4.461 4.120 0.000 0.000 0.306 133 V C 0.306 176.422 176.094 0.035 0.000 1.045 133 V CA -1.021 61.294 62.300 0.025 0.000 0.905 133 V CB 2.117 33.970 31.823 0.049 0.000 0.997 133 V HN 0.515 nan 8.190 nan 0.000 0.436 134 K N 2.504 122.926 120.400 0.036 0.000 2.326 134 K HA 0.560 4.880 4.320 0.000 0.000 0.275 134 K C 0.309 176.938 176.600 0.049 0.000 1.018 134 K CA -0.066 56.248 56.287 0.045 0.000 0.962 134 K CB 0.919 33.445 32.500 0.042 0.000 0.953 134 K HN 0.870 nan 8.250 nan 0.000 0.475 135 A N 4.263 127.115 122.820 0.055 0.000 2.386 135 A HA 0.256 4.576 4.320 0.000 0.000 0.248 135 A C -2.107 175.503 177.584 0.044 0.000 1.082 135 A CA -1.218 50.851 52.037 0.052 0.000 0.789 135 A CB -0.420 18.613 19.000 0.055 0.000 1.025 135 A HN 0.463 nan 8.150 nan 0.000 0.490 136 P HA 0.202 nan 4.420 nan 0.000 0.263 136 P C 0.679 177.998 177.300 0.032 0.000 1.195 136 P CA 0.638 63.757 63.100 0.031 0.000 0.762 136 P CB 0.406 32.124 31.700 0.030 0.000 0.799 137 G N 2.008 110.825 108.800 0.028 0.000 2.647 137 G HA2 0.059 4.019 3.960 0.000 0.000 0.271 137 G HA3 0.059 4.019 3.960 0.000 0.000 0.271 137 G C 0.984 175.899 174.900 0.026 0.000 1.300 137 G CA -0.435 44.681 45.100 0.027 0.000 0.997 137 G HN 0.352 nan 8.290 nan 0.000 0.533 138 I N -0.460 120.125 120.570 0.025 0.000 2.202 138 I HA -0.070 4.100 4.170 0.000 0.000 0.242 138 I C 2.558 178.686 176.117 0.019 0.000 1.091 138 I CA 0.696 62.009 61.300 0.023 0.000 1.368 138 I CB -0.753 37.260 38.000 0.021 0.000 1.058 138 I HN 0.370 nan 8.210 nan 0.000 0.410 139 L N 1.576 122.808 121.223 0.016 0.000 1.994 139 L HA -0.070 4.270 4.340 0.000 0.000 0.208 139 L C -0.860 176.017 176.870 0.012 0.000 1.071 139 L CA 2.019 56.866 54.840 0.012 0.000 0.745 139 L CB -1.641 40.424 42.059 0.010 0.000 0.892 139 L HN 0.162 nan 8.230 nan 0.000 0.431 140 P HA 0.052 nan 4.420 nan 0.000 0.269 140 P C -0.778 176.532 177.300 0.016 0.000 1.601 140 P CA 0.482 63.589 63.100 0.011 0.000 0.831 140 P CB -0.165 31.541 31.700 0.010 0.000 1.688 141 R N 0.199 120.710 120.500 0.019 0.000 2.750 141 R HA 0.551 4.891 4.340 0.000 0.000 0.281 141 R C -0.202 176.115 176.300 0.029 0.000 0.972 141 R CA -0.949 55.167 56.100 0.026 0.000 0.912 141 R CB 2.231 32.548 30.300 0.028 0.000 1.187 141 R HN -0.116 nan 8.270 nan 0.000 0.464 142 R N 1.023 121.550 120.500 0.044 0.000 2.437 142 R HA 0.272 4.612 4.340 0.000 0.000 0.310 142 R C -0.900 175.444 176.300 0.074 0.000 0.955 142 R CA -0.445 55.685 56.100 0.051 0.000 0.851 142 R CB 1.924 32.266 30.300 0.070 0.000 1.161 142 R HN 0.687 nan 8.270 nan 0.000 0.446 143 S N 2.415 118.148 115.700 0.055 0.000 2.596 143 S HA -0.018 4.452 4.470 0.000 0.000 0.298 143 S C 0.459 175.139 174.600 0.134 0.000 1.255 143 S CA -0.260 57.978 58.200 0.064 0.000 1.083 143 S CB 0.224 63.445 63.200 0.035 0.000 0.837 143 S HN 0.332 nan 8.310 nan 0.000 0.499 144 V N 5.763 125.737 119.914 0.099 0.000 2.644 144 V HA -0.010 4.110 4.120 0.000 0.000 0.305 144 V C 1.449 177.620 176.094 0.128 0.000 1.053 144 V CA 0.742 63.091 62.300 0.083 0.000 1.186 144 V CB -0.359 31.470 31.823 0.010 0.000 0.895 144 V HN 1.099 nan 8.190 nan 0.000 0.490 145 H N 1.597 120.645 119.070 -0.036 0.000 2.237 145 H HA 0.268 4.824 4.556 0.000 0.000 0.187 145 H C 0.469 175.757 175.328 -0.067 0.000 0.879 145 H CA -0.339 55.684 56.048 -0.042 0.000 0.932 145 H CB 0.249 29.991 29.762 -0.033 0.000 1.159 145 H HN 0.576 nan 8.280 nan 0.000 0.388 146 E N 4.172 123.892 120.200 -0.801 0.000 2.442 146 E HA 0.158 4.508 4.350 0.000 0.000 0.262 146 E C -2.379 174.021 176.600 -0.334 0.000 1.004 146 E CA -1.435 54.636 56.400 -0.547 0.000 0.928 146 E CB 0.678 29.975 29.700 -0.671 0.000 0.937 146 E HN 0.305 nan 8.360 nan 0.000 0.446 147 P HA 0.112 nan 4.420 nan 0.000 0.286 147 P C -1.014 176.122 177.300 -0.275 0.000 1.261 147 P CA -0.435 62.535 63.100 -0.217 0.000 0.821 147 P CB 0.921 32.522 31.700 -0.166 0.000 1.013 148 V N 3.653 123.444 119.914 -0.204 0.000 2.275 148 V HA 0.180 4.300 4.120 0.000 0.000 0.272 148 V C 0.318 176.332 176.094 -0.133 0.000 1.028 148 V CA -0.385 61.793 62.300 -0.203 0.000 0.810 148 V CB 0.201 31.934 31.823 -0.149 0.000 1.043 148 V HN 0.468 nan 8.190 nan 0.000 0.453 149 Q N 2.286 122.000 119.800 -0.143 0.000 2.307 149 Q HA 0.136 4.476 4.340 0.000 0.000 0.261 149 Q C 1.258 177.294 176.000 0.059 0.000 1.051 149 Q CA 0.203 56.013 55.803 0.012 0.000 0.911 149 Q CB 1.050 29.900 28.738 0.186 0.000 1.227 149 Q HN 0.907 nan 8.270 nan 0.000 0.418 150 T N -1.258 113.316 114.554 0.034 0.000 3.054 150 T HA 0.143 4.494 4.350 0.000 0.000 0.259 150 T C 1.399 176.120 174.700 0.036 0.000 1.092 150 T CA 0.455 62.571 62.100 0.026 0.000 1.121 150 T CB 0.178 69.047 68.868 0.002 0.000 0.912 150 T HN 0.856 nan 8.240 nan 0.000 0.489 151 G N 1.366 110.194 108.800 0.048 0.000 2.179 151 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 151 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 151 G C -0.006 174.901 174.900 0.013 0.000 0.977 151 G CA 0.162 45.282 45.100 0.033 0.000 0.641 151 G HN 0.619 nan 8.290 nan 0.000 0.533 152 L N 0.981 122.208 121.223 0.007 0.000 2.325 152 L HA 0.314 4.654 4.340 0.000 0.000 0.284 152 L C 1.868 178.742 176.870 0.006 0.000 1.089 152 L CA -0.526 54.313 54.840 -0.000 0.000 0.836 152 L CB 0.917 42.971 42.059 -0.007 0.000 1.184 152 L HN 0.104 nan 8.230 nan 0.000 0.444 153 K N 2.509 122.913 120.400 0.007 0.000 2.089 153 K HA -0.271 4.049 4.320 0.000 0.000 0.210 153 K C 1.950 178.555 176.600 0.008 0.000 1.048 153 K CA 1.865 58.157 56.287 0.009 0.000 0.926 153 K CB -0.111 32.394 32.500 0.008 0.000 0.714 153 K HN 0.813 nan 8.250 nan 0.000 0.448 154 A N 0.754 123.578 122.820 0.006 0.000 1.897 154 A HA -0.080 4.240 4.320 0.000 0.000 0.215 154 A C 2.367 179.959 177.584 0.013 0.000 1.181 154 A CA 1.198 53.241 52.037 0.010 0.000 0.620 154 A CB -0.415 18.592 19.000 0.012 0.000 0.821 154 A HN 0.065 nan 8.150 nan 0.000 0.443 155 V N 0.609 120.529 119.914 0.010 0.000 2.239 155 V HA -0.189 3.931 4.120 0.000 0.000 0.242 155 V C 2.029 178.128 176.094 0.008 0.000 1.038 155 V CA 2.117 64.422 62.300 0.009 0.000 1.002 155 V CB -0.828 30.996 31.823 0.002 0.000 0.641 155 V HN 0.473 nan 8.190 nan 0.000 0.449 156 D N 0.184 120.588 120.400 0.007 0.000 2.311 156 D HA -0.107 4.533 4.640 0.000 0.000 0.212 156 D C 1.888 178.194 176.300 0.010 0.000 0.972 156 D CA 1.503 55.508 54.000 0.007 0.000 0.887 156 D CB 0.003 40.812 40.800 0.014 0.000 0.915 156 D HN 0.483 nan 8.370 nan 0.000 0.497 157 A N -0.467 122.361 122.820 0.014 0.000 1.942 157 A HA 0.146 4.466 4.320 0.000 0.000 0.209 157 A C 2.178 179.774 177.584 0.019 0.000 1.214 157 A CA 0.199 52.246 52.037 0.017 0.000 0.686 157 A CB -0.035 18.975 19.000 0.016 0.000 0.871 157 A HN 0.139 nan 8.150 nan 0.000 0.460 158 L N -1.019 120.216 121.223 0.020 0.000 2.362 158 L HA 0.174 4.514 4.340 0.000 0.000 0.204 158 L C -0.153 176.731 176.870 0.022 0.000 1.060 158 L CA 0.417 55.272 54.840 0.025 0.000 0.827 158 L CB 0.586 42.663 42.059 0.030 0.000 1.027 158 L HN 0.063 nan 8.230 nan 0.000 0.474 159 V N 1.377 121.302 119.914 0.018 0.000 2.266 159 V HA 0.297 4.417 4.120 0.000 0.000 0.266 159 V C -2.417 173.680 176.094 0.005 0.000 1.036 159 V CA -1.422 60.886 62.300 0.015 0.000 0.828 159 V CB 0.550 32.385 31.823 0.020 0.000 1.081 159 V HN -0.012 nan 8.190 nan 0.000 0.449 160 P HA 0.266 nan 4.420 nan 0.000 0.271 160 P C -0.653 176.634 177.300 -0.021 0.000 1.218 160 P CA 0.009 63.103 63.100 -0.011 0.000 0.780 160 P CB 0.689 32.383 31.700 -0.010 0.000 0.901 161 I N 1.636 122.185 120.570 -0.036 0.000 2.406 161 I HA 0.436 4.606 4.170 0.000 0.000 0.290 161 I C 0.890 176.962 176.117 -0.075 0.000 0.999 161 I CA -0.556 60.715 61.300 -0.048 0.000 1.124 161 I CB 0.911 38.882 38.000 -0.049 0.000 1.289 161 I HN 0.348 nan 8.210 nan 0.000 0.441 162 G N 5.609 114.364 108.800 -0.074 0.000 2.437 162 G HA2 0.505 4.465 3.960 0.000 0.000 0.319 162 G HA3 0.505 4.465 3.960 0.000 0.000 0.319 162 G C -0.172 174.654 174.900 -0.123 0.000 1.158 162 G CA -0.815 44.221 45.100 -0.107 0.000 0.899 162 G HN 0.529 nan 8.290 nan 0.000 0.502 163 R N 0.110 120.501 120.500 -0.182 0.000 2.370 163 R HA 0.397 4.738 4.340 0.000 0.000 0.309 163 R C 1.146 177.392 176.300 -0.091 0.000 1.059 163 R CA 0.953 56.953 56.100 -0.168 0.000 0.981 163 R CB 0.830 30.962 30.300 -0.281 0.000 0.972 163 R HN 1.064 nan 8.270 nan 0.000 0.437 164 G N 1.761 110.535 108.800 -0.043 0.000 2.176 164 G HA2 -0.307 3.653 3.960 0.000 0.000 0.232 164 G HA3 -0.307 3.653 3.960 0.000 0.000 0.232 164 G C 0.175 175.070 174.900 -0.010 0.000 0.986 164 G CA 0.093 45.188 45.100 -0.008 0.000 0.643 164 G HN 0.597 nan 8.290 nan 0.000 0.522 165 Q N 0.160 119.944 119.800 -0.027 0.000 2.312 165 Q HA 0.623 4.963 4.340 0.000 0.000 0.236 165 Q C 0.055 176.046 176.000 -0.016 0.000 0.965 165 Q CA -0.642 55.149 55.803 -0.020 0.000 0.894 165 Q CB 0.465 29.186 28.738 -0.030 0.000 1.225 165 Q HN 0.395 nan 8.270 nan 0.000 0.478 166 R N 2.608 123.103 120.500 -0.009 0.000 2.332 166 R HA 0.195 4.535 4.340 0.000 0.000 0.306 166 R C -1.237 175.055 176.300 -0.013 0.000 1.117 166 R CA -0.413 55.682 56.100 -0.008 0.000 1.108 166 R CB 1.001 31.298 30.300 -0.005 0.000 1.126 166 R HN 0.484 nan 8.270 nan 0.000 0.548 167 E N 2.583 122.773 120.200 -0.017 0.000 2.156 167 E HA 0.196 4.546 4.350 0.000 0.000 0.279 167 E C -1.311 175.278 176.600 -0.017 0.000 0.965 167 E CA -0.813 55.578 56.400 -0.016 0.000 0.789 167 E CB 0.972 30.662 29.700 -0.017 0.000 1.098 167 E HN 0.247 nan 8.360 nan 0.000 0.397 168 L N 5.499 126.712 121.223 -0.016 0.000 2.312 168 L HA 0.443 4.783 4.340 0.000 0.000 0.281 168 L C -1.144 175.717 176.870 -0.015 0.000 1.070 168 L CA -0.450 54.375 54.840 -0.024 0.000 0.805 168 L CB 0.898 42.937 42.059 -0.033 0.000 1.174 168 L HN 0.517 nan 8.230 nan 0.000 0.434 169 I N 6.938 127.491 120.570 -0.029 0.000 2.312 169 I HA 0.401 4.571 4.170 0.000 0.000 0.290 169 I C -0.141 175.943 176.117 -0.055 0.000 1.008 169 I CA -0.159 61.119 61.300 -0.037 0.000 1.226 169 I CB 0.703 38.677 38.000 -0.042 0.000 1.371 169 I HN 0.623 nan 8.210 nan 0.000 0.468 170 I N 4.473 125.004 120.570 -0.064 0.000 2.769 170 I HA 0.869 5.039 4.170 0.000 0.000 0.298 170 I C -0.234 175.693 176.117 -0.316 0.000 1.128 170 I CA 0.032 61.276 61.300 -0.094 0.000 1.031 170 I CB 2.334 40.357 38.000 0.038 0.000 1.235 170 I HN 0.709 nan 8.210 nan 0.000 0.423 171 G N 4.890 113.476 108.800 -0.356 0.000 2.336 171 G HA2 0.085 4.045 3.960 0.000 0.000 0.300 171 G HA3 0.085 4.045 3.960 0.000 0.000 0.300 171 G C -1.717 173.009 174.900 -0.290 0.000 1.375 171 G CA -0.802 43.936 45.100 -0.604 0.000 0.885 171 G HN 0.520 nan 8.290 nan 0.000 0.599 172 D N 0.016 120.269 120.400 -0.246 0.000 2.278 172 D HA 0.265 4.905 4.640 0.000 0.000 0.240 172 D C 1.358 177.588 176.300 -0.116 0.000 1.347 172 D CA 0.181 54.114 54.000 -0.112 0.000 0.945 172 D CB 0.357 41.124 40.800 -0.054 0.000 1.175 172 D HN 0.674 nan 8.370 nan 0.000 0.519 173 R N -0.228 120.229 120.500 -0.073 0.000 2.582 173 R HA 0.146 4.486 4.340 0.000 0.000 0.271 173 R C -0.026 176.200 176.300 -0.123 0.000 1.078 173 R CA -0.321 55.733 56.100 -0.076 0.000 1.127 173 R CB 0.244 30.523 30.300 -0.035 0.000 1.038 173 R HN 0.356 nan 8.270 nan 0.000 0.500 174 Q N -0.679 119.035 119.800 -0.144 0.000 2.461 174 Q HA -0.205 4.135 4.340 0.000 0.000 0.264 174 Q C 0.170 175.913 176.000 -0.429 0.000 1.085 174 Q CA 1.390 57.060 55.803 -0.221 0.000 1.006 174 Q CB -1.675 26.969 28.738 -0.157 0.000 1.437 174 Q HN 0.982 nan 8.270 nan 0.000 0.514 175 T N -4.541 109.786 114.554 -0.378 0.000 3.086 175 T HA 0.411 4.761 4.350 0.000 0.000 0.250 175 T C 1.140 175.604 174.700 -0.393 0.000 1.074 175 T CA 0.411 62.223 62.100 -0.481 0.000 0.988 175 T CB 0.980 69.672 68.868 -0.293 0.000 0.988 175 T HN 0.932 nan 8.240 nan 0.000 0.530 176 G N 1.763 110.389 108.800 -0.290 0.000 2.270 176 G HA2 -0.209 3.751 3.960 0.000 0.000 0.224 176 G HA3 -0.209 3.751 3.960 0.000 0.000 0.224 176 G C 0.518 175.358 174.900 -0.101 0.000 1.079 176 G CA 0.157 45.164 45.100 -0.154 0.000 0.807 176 G HN 0.486 nan 8.290 nan 0.000 0.492 177 K N -0.635 119.701 120.400 -0.106 0.000 2.007 177 K HA -0.035 4.285 4.320 0.000 0.000 0.206 177 K C 2.661 179.237 176.600 -0.040 0.000 1.047 177 K CA 1.795 58.035 56.287 -0.078 0.000 0.937 177 K CB -0.251 32.199 32.500 -0.083 0.000 0.718 177 K HN 0.341 nan 8.250 nan 0.000 0.438 178 T N 1.482 116.024 114.554 -0.020 0.000 2.720 178 T HA -0.190 4.160 4.350 0.000 0.000 0.268 178 T C 2.031 176.723 174.700 -0.013 0.000 1.037 178 T CA 1.426 63.543 62.100 0.029 0.000 1.144 178 T CB -0.375 68.524 68.868 0.051 0.000 0.864 178 T HN 0.324 nan 8.240 nan 0.000 0.444 179 A N 1.290 124.073 122.820 -0.062 0.000 1.873 179 A HA -0.126 4.194 4.320 0.000 0.000 0.218 179 A C 2.621 180.138 177.584 -0.112 0.000 1.193 179 A CA 1.883 53.844 52.037 -0.126 0.000 0.629 179 A CB -1.283 17.637 19.000 -0.134 0.000 0.826 179 A HN 0.353 nan 8.150 nan 0.000 0.447 180 V N -0.284 119.587 119.914 -0.071 0.000 2.380 180 V HA -0.301 3.820 4.120 0.000 0.000 0.251 180 V C 2.987 179.057 176.094 -0.039 0.000 1.063 180 V CA 2.195 64.463 62.300 -0.053 0.000 1.055 180 V CB -1.238 30.563 31.823 -0.037 0.000 0.657 180 V HN 0.664 nan 8.190 nan 0.000 0.455 181 A N -0.682 122.127 122.820 -0.018 0.000 1.930 181 A HA -0.090 4.230 4.320 0.000 0.000 0.215 181 A C 2.108 179.699 177.584 0.013 0.000 1.176 181 A CA 1.585 53.629 52.037 0.013 0.000 0.632 181 A CB -0.446 18.589 19.000 0.058 0.000 0.819 181 A HN 0.431 nan 8.150 nan 0.000 0.445 182 L N 0.348 121.559 121.223 -0.020 0.000 2.017 182 L HA -0.164 4.176 4.340 0.000 0.000 0.208 182 L C 1.607 178.434 176.870 -0.073 0.000 1.073 182 L CA 2.516 57.321 54.840 -0.058 0.000 0.745 182 L CB -0.666 41.330 42.059 -0.104 0.000 0.894 182 L HN 0.335 nan 8.230 nan 0.000 0.432 183 D N -1.179 119.155 120.400 -0.110 0.000 2.149 183 D HA -0.173 4.467 4.640 0.000 0.000 0.198 183 D C 2.087 178.363 176.300 -0.039 0.000 0.990 183 D CA 1.688 55.626 54.000 -0.103 0.000 0.839 183 D CB -0.362 40.367 40.800 -0.119 0.000 0.948 183 D HN 0.373 nan 8.370 nan 0.000 0.460 184 T N 0.737 115.280 114.554 -0.019 0.000 2.684 184 T HA -0.115 4.235 4.350 0.000 0.000 0.267 184 T C 2.158 176.884 174.700 0.043 0.000 1.036 184 T CA 0.778 62.885 62.100 0.011 0.000 1.148 184 T CB -0.255 68.615 68.868 0.002 0.000 0.863 184 T HN 0.206 nan 8.240 nan 0.000 0.436 185 I N 0.765 121.364 120.570 0.049 0.000 2.252 185 I HA -0.088 4.082 4.170 0.000 0.000 0.245 185 I C 2.076 178.284 176.117 0.151 0.000 1.102 185 I CA 1.199 62.567 61.300 0.114 0.000 1.385 185 I CB -0.468 37.584 38.000 0.087 0.000 1.064 185 I HN 0.182 nan 8.210 nan 0.000 0.414 186 L N 0.682 121.933 121.223 0.047 0.000 2.551 186 L HA -0.116 4.224 4.340 0.000 0.000 0.228 186 L C 1.781 178.673 176.870 0.036 0.000 1.153 186 L CA 0.667 55.510 54.840 0.006 0.000 0.851 186 L CB -0.663 41.300 42.059 -0.160 0.000 0.959 186 L HN 0.315 nan 8.230 nan 0.000 0.451 187 N N -0.567 118.171 118.700 0.063 0.000 2.373 187 N HA -0.085 4.655 4.740 0.000 0.000 0.181 187 N C 1.512 177.098 175.510 0.127 0.000 1.082 187 N CA 0.370 53.460 53.050 0.066 0.000 0.885 187 N CB 0.338 38.875 38.487 0.083 0.000 0.977 187 N HN 0.140 nan 8.380 nan 0.000 0.462 188 Q N 0.003 119.900 119.800 0.162 0.000 2.365 188 Q HA 0.103 4.443 4.340 0.000 0.000 0.203 188 Q C 0.891 176.874 176.000 -0.028 0.000 0.929 188 Q CA 0.181 56.080 55.803 0.159 0.000 0.948 188 Q CB 0.270 28.975 28.738 -0.056 0.000 1.043 188 Q HN 0.430 nan 8.270 nan 0.000 0.505 189 K N 0.596 121.018 120.400 0.036 0.000 2.211 189 K HA -0.058 4.262 4.320 0.000 0.000 0.203 189 K C 1.872 178.396 176.600 -0.127 0.000 1.050 189 K CA 0.674 56.985 56.287 0.040 0.000 0.945 189 K CB 0.111 32.664 32.500 0.088 0.000 0.732 189 K HN 0.181 nan 8.250 nan 0.000 0.451 190 R N -0.290 120.007 120.500 -0.338 0.000 2.120 190 R HA -0.122 4.218 4.340 0.000 0.000 0.234 190 R C 1.822 177.764 176.300 -0.597 0.000 1.123 190 R CA 1.294 57.012 56.100 -0.636 0.000 0.975 190 R CB -0.058 29.515 30.300 -1.212 0.000 0.866 190 R HN 0.376 nan 8.270 nan 0.000 0.446 191 W N -0.120 121.103 121.300 -0.128 0.000 2.777 191 W HA 0.191 4.851 4.660 0.000 0.000 0.260 191 W C 1.180 177.594 176.519 -0.176 0.000 1.194 191 W CA -0.501 56.761 57.345 -0.139 0.000 1.447 191 W CB -0.453 28.916 29.460 -0.153 0.000 1.009 191 W HN 0.036 nan 8.180 nan 0.000 0.613 192 N N 1.261 119.930 118.700 -0.051 0.000 2.573 192 N HA -0.104 4.636 4.740 0.000 0.000 0.187 192 N C 0.748 176.225 175.510 -0.055 0.000 1.107 192 N CA 0.883 53.809 53.050 -0.207 0.000 0.918 192 N CB -0.384 37.715 38.487 -0.647 0.000 0.966 192 N HN 0.161 nan 8.380 nan 0.000 0.448 193 N N -0.743 117.947 118.700 -0.016 0.000 2.184 193 N HA 0.113 4.853 4.740 0.000 0.000 0.206 193 N C 1.027 176.542 175.510 0.009 0.000 1.151 193 N CA 0.013 53.072 53.050 0.015 0.000 0.878 193 N CB 0.666 39.162 38.487 0.016 0.000 1.014 193 N HN 0.118 nan 8.380 nan 0.000 0.512 194 G N -0.251 108.554 108.800 0.009 0.000 2.624 194 G HA2 0.237 4.197 3.960 0.000 0.000 0.217 194 G HA3 0.237 4.197 3.960 0.000 0.000 0.217 194 G C 0.708 175.630 174.900 0.037 0.000 1.506 194 G CA 0.017 45.129 45.100 0.020 0.000 1.072 194 G HN 0.134 nan 8.290 nan 0.000 0.568 195 S N -1.015 114.712 115.700 0.046 0.000 2.641 195 S HA 0.133 4.603 4.470 0.000 0.000 0.239 195 S C 0.396 175.031 174.600 0.059 0.000 1.081 195 S CA -0.180 58.049 58.200 0.049 0.000 0.904 195 S CB 0.158 63.382 63.200 0.040 0.000 0.803 195 S HN 0.527 nan 8.310 nan 0.000 0.510 196 D N 2.656 123.095 120.400 0.065 0.000 2.389 196 D HA 0.063 4.703 4.640 0.000 0.000 0.263 196 D C 0.882 177.225 176.300 0.071 0.000 1.255 196 D CA 0.292 54.333 54.000 0.068 0.000 0.914 196 D CB 0.568 41.412 40.800 0.073 0.000 1.116 196 D HN 0.111 nan 8.370 nan 0.000 0.502 197 E N 1.399 121.644 120.200 0.075 0.000 2.208 197 E HA -0.115 4.235 4.350 0.000 0.000 0.193 197 E C 1.687 178.356 176.600 0.116 0.000 0.988 197 E CA 0.534 56.991 56.400 0.095 0.000 0.828 197 E CB -0.072 29.692 29.700 0.107 0.000 0.763 197 E HN 0.539 nan 8.360 nan 0.000 0.478 198 S N 0.230 115.993 115.700 0.105 0.000 2.603 198 S HA 0.022 4.492 4.470 0.000 0.000 0.229 198 S C 1.521 176.173 174.600 0.086 0.000 0.972 198 S CA 0.568 58.870 58.200 0.170 0.000 0.935 198 S CB 0.048 63.319 63.200 0.118 0.000 0.769 198 S HN 0.112 nan 8.310 nan 0.000 0.536 199 K N 0.193 120.591 120.400 -0.004 0.000 2.425 199 K HA 0.247 4.567 4.320 0.000 0.000 0.201 199 K C 0.185 176.630 176.600 -0.259 0.000 1.128 199 K CA -0.120 56.036 56.287 -0.218 0.000 1.000 199 K CB 0.449 32.860 32.500 -0.148 0.000 0.961 199 K HN 0.258 nan 8.250 nan 0.000 0.555 200 K N 1.263 121.620 120.400 -0.072 0.000 2.230 200 K HA 0.152 4.472 4.320 0.000 0.000 0.253 200 K C -0.590 175.893 176.600 -0.196 0.000 1.008 200 K CA -0.048 56.153 56.287 -0.143 0.000 0.910 200 K CB 0.496 32.883 32.500 -0.188 0.000 0.994 200 K HN -0.150 nan 8.250 nan 0.000 0.495 201 L N 2.755 123.776 121.223 -0.336 0.000 2.573 201 L HA 0.252 4.592 4.340 0.000 0.000 0.260 201 L C -1.665 175.015 176.870 -0.317 0.000 0.997 201 L CA -0.306 54.388 54.840 -0.243 0.000 0.890 201 L CB 0.528 42.453 42.059 -0.224 0.000 1.179 201 L HN 0.441 nan 8.230 nan 0.000 0.439 202 Y N 2.755 122.950 120.300 -0.175 0.000 2.480 202 Y HA 0.395 4.945 4.550 0.000 0.000 0.338 202 Y C 0.802 176.594 175.900 -0.180 0.000 1.220 202 Y CA 0.211 58.181 58.100 -0.217 0.000 1.430 202 Y CB 0.662 38.754 38.460 -0.615 0.000 1.311 202 Y HN 0.528 nan 8.280 nan 0.000 0.575 203 C N 2.109 121.476 119.300 0.112 0.000 2.561 203 C HA 0.765 5.225 4.460 0.000 0.000 0.319 203 C C -0.576 174.435 174.990 0.035 0.000 1.198 203 C CA -1.025 58.034 59.018 0.067 0.000 1.665 203 C CB 1.290 29.121 27.740 0.151 0.000 2.258 203 C HN 0.555 nan 8.230 nan 0.000 0.493 204 V N 2.678 122.590 119.914 -0.003 0.000 2.482 204 V HA 0.291 4.411 4.120 0.000 0.000 0.295 204 V C -1.198 174.894 176.094 -0.004 0.000 1.026 204 V CA -0.530 61.767 62.300 -0.003 0.000 0.856 204 V CB 1.160 32.953 31.823 -0.050 0.000 1.001 204 V HN 0.806 nan 8.190 nan 0.000 0.424 205 Y N 4.918 125.179 120.300 -0.066 0.000 2.353 205 Y HA 0.624 5.174 4.550 0.000 0.000 0.340 205 Y C -0.153 175.716 175.900 -0.052 0.000 0.972 205 Y CA -0.568 57.491 58.100 -0.069 0.000 1.157 205 Y CB 1.633 40.069 38.460 -0.040 0.000 1.157 205 Y HN 0.432 nan 8.280 nan 0.000 0.495 206 V N 6.517 126.149 119.914 -0.470 0.000 2.334 206 V HA 0.550 4.670 4.120 0.000 0.000 0.267 206 V C 0.091 175.989 176.094 -0.327 0.000 1.040 206 V CA -0.702 61.441 62.300 -0.262 0.000 0.866 206 V CB 0.522 32.262 31.823 -0.138 0.000 1.019 206 V HN 0.913 nan 8.190 nan 0.000 0.468 207 A N 5.538 128.316 122.820 -0.070 0.000 2.260 207 A HA 0.742 5.062 4.320 0.000 0.000 0.312 207 A C -0.467 177.137 177.584 0.033 0.000 1.321 207 A CA -0.343 51.715 52.037 0.035 0.000 0.928 207 A CB 0.561 19.677 19.000 0.194 0.000 1.158 207 A HN 0.679 nan 8.150 nan 0.000 0.542 208 V N 2.301 122.227 119.914 0.020 0.000 2.525 208 V HA 0.663 4.783 4.120 0.000 0.000 0.299 208 V C 1.044 177.170 176.094 0.053 0.000 1.034 208 V CA 0.429 62.754 62.300 0.041 0.000 0.863 208 V CB 1.067 32.911 31.823 0.034 0.000 0.999 208 V HN 1.820 nan 8.190 nan 0.000 0.423 209 G N 3.949 112.787 108.800 0.064 0.000 2.179 209 G HA2 -0.223 3.738 3.960 0.000 0.000 0.260 209 G HA3 -0.223 3.738 3.960 0.000 0.000 0.260 209 G C 0.168 175.103 174.900 0.058 0.000 0.977 209 G CA 0.361 45.499 45.100 0.064 0.000 0.641 209 G HN 0.652 nan 8.290 nan 0.000 0.533 210 Q N 0.677 120.514 119.800 0.062 0.000 2.260 210 Q HA 0.493 4.833 4.340 0.000 0.000 0.238 210 Q C 0.694 176.727 176.000 0.056 0.000 0.948 210 Q CA -0.294 55.546 55.803 0.062 0.000 0.895 210 Q CB 0.872 29.658 28.738 0.081 0.000 1.218 210 Q HN 0.632 nan 8.270 nan 0.000 0.470 211 K N 0.671 121.100 120.400 0.048 0.000 2.138 211 K HA 0.188 4.509 4.320 0.000 0.000 0.251 211 K C 0.353 176.979 176.600 0.042 0.000 1.015 211 K CA -0.443 55.868 56.287 0.041 0.000 0.917 211 K CB 0.938 33.458 32.500 0.034 0.000 1.021 211 K HN 0.451 nan 8.250 nan 0.000 0.485 212 R N 0.548 121.070 120.500 0.036 0.000 2.115 212 R HA -0.074 4.266 4.340 0.000 0.000 0.230 212 R C 2.175 178.492 176.300 0.027 0.000 1.111 212 R CA 1.503 57.623 56.100 0.034 0.000 0.976 212 R CB -0.200 30.118 30.300 0.029 0.000 0.870 212 R HN 0.685 nan 8.270 nan 0.000 0.445 213 S N -0.069 115.645 115.700 0.024 0.000 2.400 213 S HA -0.142 4.328 4.470 0.000 0.000 0.232 213 S C 1.789 176.401 174.600 0.019 0.000 1.025 213 S CA 1.792 60.003 58.200 0.018 0.000 0.993 213 S CB -0.205 63.006 63.200 0.018 0.000 0.808 213 S HN 0.390 nan 8.310 nan 0.000 0.478 214 T N 1.782 116.352 114.554 0.027 0.000 2.812 214 T HA 0.007 4.357 4.350 0.000 0.000 0.264 214 T C 1.936 176.650 174.700 0.023 0.000 1.042 214 T CA 1.005 63.123 62.100 0.029 0.000 1.140 214 T CB -0.272 68.622 68.868 0.043 0.000 0.870 214 T HN 0.231 nan 8.240 nan 0.000 0.445 215 V N 1.695 121.629 119.914 0.034 0.000 2.548 215 V HA -0.045 4.075 4.120 0.000 0.000 0.249 215 V C 2.861 178.957 176.094 0.003 0.000 1.055 215 V CA 1.387 63.705 62.300 0.030 0.000 1.065 215 V CB -1.119 30.738 31.823 0.056 0.000 0.681 215 V HN 0.493 nan 8.190 nan 0.000 0.462 216 A N -0.209 122.615 122.820 0.006 0.000 1.969 216 A HA -0.254 4.066 4.320 0.000 0.000 0.218 216 A C 2.184 179.760 177.584 -0.013 0.000 1.169 216 A CA 2.020 54.055 52.037 -0.003 0.000 0.635 216 A CB -0.399 18.602 19.000 0.002 0.000 0.810 216 A HN 0.527 nan 8.150 nan 0.000 0.445 217 Q N -0.603 119.191 119.800 -0.010 0.000 2.096 217 Q HA -0.017 4.323 4.340 0.000 0.000 0.197 217 Q C 1.837 177.822 176.000 -0.025 0.000 0.964 217 Q CA 1.486 57.282 55.803 -0.013 0.000 0.838 217 Q CB -0.490 28.248 28.738 -0.001 0.000 0.906 217 Q HN 0.484 nan 8.270 nan 0.000 0.444 218 L N -0.590 120.607 121.223 -0.043 0.000 2.017 218 L HA -0.135 4.205 4.340 0.000 0.000 0.208 218 L C 2.129 178.941 176.870 -0.097 0.000 1.073 218 L CA 1.373 56.157 54.840 -0.093 0.000 0.745 218 L CB -0.476 41.466 42.059 -0.195 0.000 0.894 218 L HN 0.148 nan 8.230 nan 0.000 0.432 219 V N -0.807 119.060 119.914 -0.080 0.000 2.407 219 V HA -0.330 3.790 4.120 0.000 0.000 0.248 219 V C 2.461 178.525 176.094 -0.049 0.000 1.055 219 V CA 2.009 64.270 62.300 -0.066 0.000 1.049 219 V CB -0.540 31.257 31.823 -0.042 0.000 0.662 219 V HN 0.583 nan 8.190 nan 0.000 0.455 220 Q N -0.582 119.194 119.800 -0.040 0.000 2.230 220 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 220 Q C 2.174 178.151 176.000 -0.038 0.000 0.963 220 Q CA 1.754 57.534 55.803 -0.039 0.000 0.866 220 Q CB 0.007 28.723 28.738 -0.037 0.000 0.931 220 Q HN 0.675 nan 8.270 nan 0.000 0.452 221 T N 0.539 115.082 114.554 -0.019 0.000 2.942 221 T HA -0.009 4.341 4.350 0.000 0.000 0.265 221 T C 1.616 176.379 174.700 0.105 0.000 1.062 221 T CA 0.537 62.653 62.100 0.028 0.000 1.139 221 T CB 0.051 68.959 68.868 0.067 0.000 0.883 221 T HN 0.226 nan 8.240 nan 0.000 0.468 222 L N 0.482 121.720 121.223 0.026 0.000 2.240 222 L HA 0.059 4.399 4.340 0.000 0.000 0.211 222 L C 2.627 179.486 176.870 -0.019 0.000 1.106 222 L CA 0.935 55.775 54.840 0.000 0.000 0.793 222 L CB -0.225 41.787 42.059 -0.080 0.000 0.927 222 L HN 0.163 nan 8.230 nan 0.000 0.446 223 E N -0.087 120.092 120.200 -0.034 0.000 2.216 223 E HA -0.168 4.182 4.350 0.000 0.000 0.192 223 E C 2.108 178.672 176.600 -0.060 0.000 0.988 223 E CA 0.841 57.212 56.400 -0.049 0.000 0.834 223 E CB 0.187 29.859 29.700 -0.048 0.000 0.772 223 E HN 0.412 nan 8.360 nan 0.000 0.479 224 Q N -1.308 118.443 119.800 -0.082 0.000 2.331 224 Q HA -0.028 4.312 4.340 0.000 0.000 0.203 224 Q C 0.908 176.756 176.000 -0.253 0.000 0.944 224 Q CA 0.758 56.455 55.803 -0.177 0.000 0.892 224 Q CB 0.176 28.765 28.738 -0.248 0.000 0.983 224 Q HN 0.466 nan 8.270 nan 0.000 0.482 225 H N -0.353 118.686 119.070 -0.051 0.000 2.551 225 H HA 0.037 4.593 4.556 0.000 0.000 0.271 225 H C -0.234 175.069 175.328 -0.041 0.000 0.984 225 H CA 0.153 56.181 56.048 -0.033 0.000 1.164 225 H CB 0.449 30.205 29.762 -0.010 0.000 1.437 225 H HN 0.126 nan 8.280 nan 0.000 0.550 226 D N -0.359 120.049 120.400 0.014 0.000 2.955 226 D HA -0.228 4.412 4.640 0.000 0.000 0.226 226 D C 0.942 177.196 176.300 -0.077 0.000 1.178 226 D CA 0.792 54.778 54.000 -0.023 0.000 0.808 226 D CB -0.995 39.804 40.800 -0.001 0.000 1.099 226 D HN 0.547 nan 8.370 nan 0.000 0.421 227 A N -0.722 122.015 122.820 -0.137 0.000 2.345 227 A HA 0.161 4.481 4.320 0.000 0.000 0.225 227 A C 1.846 179.039 177.584 -0.652 0.000 1.243 227 A CA 0.161 51.907 52.037 -0.486 0.000 0.875 227 A CB -0.034 18.816 19.000 -0.251 0.000 0.929 227 A HN 0.319 nan 8.150 nan 0.000 0.502 228 M N 0.578 119.989 119.600 -0.315 0.000 2.492 228 M HA -0.052 4.428 4.480 0.000 0.000 0.262 228 M C 1.862 178.046 176.300 -0.195 0.000 1.090 228 M CA 1.297 56.465 55.300 -0.220 0.000 1.110 228 M CB -0.503 32.029 32.600 -0.113 0.000 1.407 228 M HN 0.687 nan 8.290 nan 0.000 0.470 229 K N -0.012 120.261 120.400 -0.212 0.000 2.062 229 K HA -0.140 4.180 4.320 0.000 0.000 0.205 229 K C 1.053 177.672 176.600 0.033 0.000 1.051 229 K CA 1.399 57.650 56.287 -0.060 0.000 0.941 229 K CB -0.858 31.645 32.500 0.006 0.000 0.719 229 K HN 0.424 nan 8.250 nan 0.000 0.440 230 Y N 1.614 121.964 120.300 0.084 0.000 2.645 230 Y HA 0.379 4.929 4.550 0.000 0.000 0.307 230 Y C -0.371 175.597 175.900 0.112 0.000 1.151 230 Y CA -1.252 56.922 58.100 0.124 0.000 1.291 230 Y CB -0.446 38.026 38.460 0.018 0.000 1.135 230 Y HN 0.053 nan 8.280 nan 0.000 0.523 231 S N 0.270 116.007 115.700 0.062 0.000 2.542 231 S HA 0.793 5.263 4.470 0.000 0.000 0.293 231 S C -0.931 173.709 174.600 0.066 0.000 1.089 231 S CA -0.798 57.443 58.200 0.068 0.000 0.961 231 S CB 1.905 65.081 63.200 -0.041 0.000 1.062 231 S HN 0.274 nan 8.310 nan 0.000 0.483 232 I N 2.311 122.926 120.570 0.076 0.000 2.433 232 I HA 0.412 4.582 4.170 0.000 0.000 0.292 232 I C -0.946 175.216 176.117 0.075 0.000 1.001 232 I CA -0.981 60.362 61.300 0.071 0.000 1.119 232 I CB 1.650 39.701 38.000 0.084 0.000 1.289 232 I HN 0.508 nan 8.210 nan 0.000 0.438 233 I N 7.012 127.623 120.570 0.068 0.000 2.354 233 I HA 0.283 4.453 4.170 0.000 0.000 0.286 233 I C -0.119 176.043 176.117 0.074 0.000 1.007 233 I CA -0.665 60.692 61.300 0.094 0.000 1.167 233 I CB 1.435 39.482 38.000 0.078 0.000 1.320 233 I HN 0.156 nan 8.210 nan 0.000 0.458 234 V N 6.058 126.016 119.914 0.073 0.000 2.333 234 V HA 0.592 4.712 4.120 0.000 0.000 0.274 234 V C 0.572 176.700 176.094 0.056 0.000 1.028 234 V CA -0.562 61.767 62.300 0.049 0.000 0.851 234 V CB 1.256 33.099 31.823 0.033 0.000 1.000 234 V HN 0.828 nan 8.190 nan 0.000 0.456 235 A N 4.440 127.292 122.820 0.053 0.000 2.273 235 A HA 0.847 5.167 4.320 0.000 0.000 0.315 235 A C 0.209 177.823 177.584 0.050 0.000 1.256 235 A CA -0.293 51.780 52.037 0.060 0.000 0.851 235 A CB 1.122 20.159 19.000 0.062 0.000 1.172 235 A HN 1.227 nan 8.150 nan 0.000 0.508 236 A N 3.273 126.126 122.820 0.056 0.000 2.978 236 A HA 0.587 4.907 4.320 0.000 0.000 0.341 236 A C 0.531 178.155 177.584 0.067 0.000 1.105 236 A CA 0.062 52.136 52.037 0.062 0.000 0.819 236 A CB -0.545 18.497 19.000 0.070 0.000 1.080 236 A HN 1.265 nan 8.150 nan 0.000 0.476 237 T N -1.451 113.140 114.554 0.062 0.000 2.802 237 T HA 0.427 4.777 4.350 0.000 0.000 0.305 237 T C 1.424 176.161 174.700 0.062 0.000 1.053 237 T CA 0.120 62.257 62.100 0.061 0.000 1.058 237 T CB 1.111 70.011 68.868 0.053 0.000 0.988 237 T HN 1.093 nan 8.240 nan 0.000 0.539 238 A N 0.609 123.464 122.820 0.058 0.000 2.178 238 A HA 0.011 4.331 4.320 0.000 0.000 0.218 238 A C 2.529 180.144 177.584 0.052 0.000 1.157 238 A CA 1.586 53.657 52.037 0.057 0.000 0.689 238 A CB -1.175 17.855 19.000 0.051 0.000 0.787 238 A HN 0.896 nan 8.150 nan 0.000 0.465 239 S N -0.615 115.114 115.700 0.049 0.000 2.425 239 S HA 0.000 4.470 4.470 0.000 0.000 0.225 239 S C 0.818 175.449 174.600 0.052 0.000 1.024 239 S CA 0.145 58.372 58.200 0.044 0.000 0.951 239 S CB -0.193 63.030 63.200 0.038 0.000 0.796 239 S HN 0.685 nan 8.310 nan 0.000 0.498 240 E N 1.171 121.408 120.200 0.062 0.000 2.392 240 E HA 0.482 4.832 4.350 0.000 0.000 0.256 240 E C 0.232 176.888 176.600 0.092 0.000 1.145 240 E CA -0.192 56.254 56.400 0.076 0.000 0.929 240 E CB 0.524 30.272 29.700 0.079 0.000 0.998 240 E HN 0.459 nan 8.360 nan 0.000 0.442 241 A N 0.959 123.849 122.820 0.116 0.000 2.492 241 A HA 0.199 4.519 4.320 0.000 0.000 0.236 241 A C 1.206 178.878 177.584 0.147 0.000 1.078 241 A CA 0.636 52.749 52.037 0.127 0.000 0.773 241 A CB 0.138 19.238 19.000 0.166 0.000 1.023 241 A HN 0.766 nan 8.150 nan 0.000 0.504 242 A N 1.721 124.614 122.820 0.121 0.000 1.877 242 A HA -0.016 4.305 4.320 0.000 0.000 0.216 242 A C -0.132 177.584 177.584 0.219 0.000 1.186 242 A CA 2.011 54.130 52.037 0.137 0.000 0.620 242 A CB -1.724 17.324 19.000 0.079 0.000 0.822 242 A HN 0.626 nan 8.150 nan 0.000 0.443 243 P HA -0.146 nan 4.420 nan 0.000 0.216 243 P C 1.448 179.046 177.300 0.497 0.000 1.150 243 P CA 0.888 64.218 63.100 0.383 0.000 0.837 243 P CB -0.180 31.702 31.700 0.302 0.000 0.786 244 L N -0.919 120.546 121.223 0.403 0.000 2.046 244 L HA -0.225 4.115 4.340 0.000 0.000 0.208 244 L C 2.561 179.548 176.870 0.195 0.000 1.077 244 L CA 1.649 56.639 54.840 0.250 0.000 0.747 244 L CB -1.006 41.158 42.059 0.174 0.000 0.896 244 L HN 0.050 nan 8.230 nan 0.000 0.432 245 Q N -1.231 118.692 119.800 0.206 0.000 2.172 245 Q HA -0.229 4.111 4.340 0.000 0.000 0.200 245 Q C 2.074 178.196 176.000 0.203 0.000 0.964 245 Q CA 1.498 57.402 55.803 0.169 0.000 0.855 245 Q CB -0.245 28.587 28.738 0.157 0.000 0.918 245 Q HN 0.508 nan 8.270 nan 0.000 0.444 246 Y N 1.148 121.549 120.300 0.169 0.000 2.224 246 Y HA -0.167 4.383 4.550 0.000 0.000 0.289 246 Y C 1.593 177.635 175.900 0.236 0.000 1.146 246 Y CA 1.268 59.489 58.100 0.201 0.000 1.182 246 Y CB -0.048 38.564 38.460 0.253 0.000 0.983 246 Y HN -0.018 nan 8.280 nan 0.000 0.524 247 L N -0.352 120.898 121.223 0.046 0.000 2.162 247 L HA 0.006 4.346 4.340 0.000 0.000 0.205 247 L C 2.842 179.728 176.870 0.027 0.000 1.086 247 L CA 0.680 55.506 54.840 -0.023 0.000 0.778 247 L CB -1.072 41.041 42.059 0.091 0.000 0.928 247 L HN 0.284 nan 8.230 nan 0.000 0.446 248 A N 1.303 124.145 122.820 0.036 0.000 1.894 248 A HA -0.232 4.088 4.320 0.000 0.000 0.220 248 A C -0.024 177.568 177.584 0.013 0.000 1.237 248 A CA 2.517 54.571 52.037 0.029 0.000 0.660 248 A CB -2.094 16.928 19.000 0.037 0.000 0.835 248 A HN 0.279 nan 8.150 nan 0.000 0.461 249 P HA -0.111 nan 4.420 nan 0.000 0.215 249 P C 1.095 178.310 177.300 -0.142 0.000 1.153 249 P CA 1.149 64.188 63.100 -0.103 0.000 0.853 249 P CB -0.188 31.261 31.700 -0.418 0.000 0.788 250 F N -0.663 119.221 119.950 -0.111 0.000 2.146 250 F HA -0.118 4.409 4.527 0.000 0.000 0.298 250 F C 2.406 178.185 175.800 -0.035 0.000 1.096 250 F CA 1.469 59.405 58.000 -0.106 0.000 1.275 250 F CB -1.759 37.117 39.000 -0.206 0.000 1.008 250 F HN -0.126 nan 8.300 nan 0.000 0.480 251 T N -0.068 114.572 114.554 0.144 0.000 2.684 251 T HA -0.223 4.127 4.350 0.000 0.000 0.267 251 T C 2.284 177.034 174.700 0.084 0.000 1.036 251 T CA 1.483 63.636 62.100 0.088 0.000 1.148 251 T CB -0.684 68.212 68.868 0.047 0.000 0.863 251 T HN 0.286 nan 8.240 nan 0.000 0.436 252 A N 1.302 124.170 122.820 0.080 0.000 1.933 252 A HA 0.169 4.489 4.320 0.000 0.000 0.218 252 A C 2.632 180.274 177.584 0.097 0.000 1.175 252 A CA 1.775 53.855 52.037 0.073 0.000 0.628 252 A CB -1.031 17.997 19.000 0.046 0.000 0.814 252 A HN 0.510 nan 8.150 nan 0.000 0.444 253 A N -0.618 122.282 122.820 0.134 0.000 1.940 253 A HA -0.090 4.230 4.320 0.000 0.000 0.219 253 A C 2.382 180.051 177.584 0.142 0.000 1.176 253 A CA 2.112 54.239 52.037 0.151 0.000 0.631 253 A CB -0.683 18.415 19.000 0.164 0.000 0.814 253 A HN 0.445 nan 8.150 nan 0.000 0.446 254 S N -0.594 115.187 115.700 0.136 0.000 2.446 254 S HA 0.071 4.541 4.470 0.000 0.000 0.225 254 S C 1.679 176.375 174.600 0.160 0.000 1.016 254 S CA 0.832 59.112 58.200 0.134 0.000 0.943 254 S CB -0.339 62.924 63.200 0.105 0.000 0.786 254 S HN 0.566 nan 8.310 nan 0.000 0.508 255 I N 1.248 121.906 120.570 0.147 0.000 2.315 255 I HA -0.076 4.094 4.170 0.000 0.000 0.248 255 I C 2.582 178.908 176.117 0.349 0.000 1.117 255 I CA 1.224 62.628 61.300 0.173 0.000 1.404 255 I CB -0.653 37.419 38.000 0.121 0.000 1.071 255 I HN 0.351 nan 8.210 nan 0.000 0.419 256 G N -0.007 108.968 108.800 0.292 0.000 2.453 256 G HA2 -0.185 3.776 3.960 0.000 0.000 0.215 256 G HA3 -0.185 3.776 3.960 0.000 0.000 0.215 256 G C 1.504 176.636 174.900 0.387 0.000 1.147 256 G CA 0.192 45.500 45.100 0.347 0.000 0.802 256 G HN 0.384 nan 8.290 nan 0.000 0.535 257 E N -0.564 119.794 120.200 0.263 0.000 2.209 257 E HA -0.182 4.168 4.350 0.000 0.000 0.196 257 E C 1.884 178.604 176.600 0.200 0.000 0.993 257 E CA 0.793 57.309 56.400 0.193 0.000 0.819 257 E CB -0.225 29.562 29.700 0.144 0.000 0.745 257 E HN 0.610 nan 8.360 nan 0.000 0.477 258 W N 0.259 121.594 121.300 0.058 0.000 2.333 258 W HA -0.248 4.412 4.660 0.000 0.000 0.316 258 W C 1.513 177.954 176.519 -0.129 0.000 1.215 258 W CA 2.014 59.306 57.345 -0.089 0.000 1.278 258 W CB -0.586 28.737 29.460 -0.229 0.000 1.154 258 W HN 0.073 nan 8.180 nan 0.000 0.486 259 F N 0.538 120.536 119.950 0.081 0.000 2.069 259 F HA -0.223 4.305 4.527 0.000 0.000 0.298 259 F C 2.767 178.428 175.800 -0.232 0.000 1.113 259 F CA 2.347 60.249 58.000 -0.163 0.000 1.214 259 F CB -1.474 37.535 39.000 0.016 0.000 0.978 259 F HN -0.147 nan 8.300 nan 0.000 0.474 260 R N 0.608 121.171 120.500 0.104 0.000 2.117 260 R HA -0.201 4.139 4.340 0.000 0.000 0.243 260 R C 1.490 177.733 176.300 -0.095 0.000 1.143 260 R CA 2.197 58.302 56.100 0.008 0.000 0.968 260 R CB -0.472 29.860 30.300 0.053 0.000 0.863 260 R HN 0.255 nan 8.270 nan 0.000 0.444 261 D N -0.112 120.195 120.400 -0.156 0.000 2.213 261 D HA -0.055 4.585 4.640 0.000 0.000 0.205 261 D C 0.302 176.419 176.300 -0.305 0.000 0.961 261 D CA 0.776 54.657 54.000 -0.197 0.000 0.853 261 D CB -0.186 40.506 40.800 -0.179 0.000 0.967 261 D HN 0.194 nan 8.370 nan 0.000 0.496 262 N N 0.299 118.697 118.700 -0.502 0.000 2.575 262 N HA 0.295 5.035 4.740 0.000 0.000 0.275 262 N C 0.415 175.694 175.510 -0.385 0.000 1.202 262 N CA 0.058 52.767 53.050 -0.570 0.000 0.945 262 N CB 0.461 38.288 38.487 -1.099 0.000 1.247 262 N HN 0.050 nan 8.380 nan 0.000 0.510 263 G N 0.429 109.069 108.800 -0.266 0.000 2.350 263 G HA2 -0.317 3.643 3.960 0.000 0.000 0.298 263 G HA3 -0.317 3.643 3.960 0.000 0.000 0.298 263 G C 0.059 174.820 174.900 -0.232 0.000 1.037 263 G CA 0.535 45.509 45.100 -0.211 0.000 1.074 263 G HN 0.410 nan 8.290 nan 0.000 0.511 264 K N -1.177 119.057 120.400 -0.276 0.000 2.234 264 K HA 0.638 4.958 4.320 0.000 0.000 0.263 264 K C -0.786 175.547 176.600 -0.445 0.000 1.006 264 K CA -1.128 55.010 56.287 -0.249 0.000 0.854 264 K CB 1.323 33.891 32.500 0.112 0.000 1.497 264 K HN 0.256 nan 8.250 nan 0.000 0.417 265 H N -0.455 118.721 119.070 0.176 0.000 2.667 265 H HA 0.599 5.155 4.556 0.000 0.000 0.353 265 H C -1.360 174.022 175.328 0.090 0.000 1.072 265 H CA -0.811 55.282 56.048 0.075 0.000 1.214 265 H CB 2.013 31.753 29.762 -0.036 0.000 1.600 265 H HN 0.683 nan 8.280 nan 0.000 0.527 266 A N 3.159 126.053 122.820 0.124 0.000 2.422 266 A HA 0.520 4.840 4.320 0.000 0.000 0.302 266 A C -1.319 176.248 177.584 -0.029 0.000 1.041 266 A CA -0.631 51.394 52.037 -0.020 0.000 0.708 266 A CB 1.868 20.792 19.000 -0.127 0.000 1.257 266 A HN 0.470 nan 8.150 nan 0.000 0.414 267 L N 2.381 123.568 121.223 -0.061 0.000 2.331 267 L HA 0.852 5.192 4.340 0.000 0.000 0.275 267 L C -0.764 176.044 176.870 -0.103 0.000 1.022 267 L CA -0.570 54.227 54.840 -0.071 0.000 0.812 267 L CB 1.351 43.375 42.059 -0.058 0.000 1.257 267 L HN 0.698 nan 8.230 nan 0.000 0.435 268 I N 4.254 124.724 120.570 -0.167 0.000 2.569 268 I HA 0.503 4.673 4.170 0.000 0.000 0.290 268 I C -1.569 174.280 176.117 -0.446 0.000 1.088 268 I CA -0.660 60.458 61.300 -0.304 0.000 1.047 268 I CB 2.046 39.812 38.000 -0.390 0.000 1.237 268 I HN 0.341 nan 8.210 nan 0.000 0.421 269 V N 7.962 127.616 119.914 -0.432 0.000 2.334 269 V HA 0.325 4.445 4.120 0.000 0.000 0.281 269 V C -1.044 174.713 176.094 -0.561 0.000 1.016 269 V CA -0.448 61.607 62.300 -0.410 0.000 0.832 269 V CB 1.101 32.812 31.823 -0.186 0.000 0.999 269 V HN 0.478 nan 8.190 nan 0.000 0.439 270 Y N 2.818 122.979 120.300 -0.233 0.000 2.504 270 Y HA 0.437 4.987 4.550 0.000 0.000 0.351 270 Y C 0.471 176.220 175.900 -0.253 0.000 0.988 270 Y CA -0.716 57.233 58.100 -0.251 0.000 1.239 270 Y CB 0.518 38.854 38.460 -0.207 0.000 1.128 270 Y HN 0.535 nan 8.280 nan 0.000 0.525 271 D N 3.896 124.174 120.400 -0.203 0.000 2.408 271 D HA 0.208 4.848 4.640 0.000 0.000 0.261 271 D C -1.481 174.771 176.300 -0.080 0.000 1.190 271 D CA -0.474 53.431 54.000 -0.158 0.000 0.910 271 D CB 0.354 41.017 40.800 -0.228 0.000 1.097 271 D HN 0.701 nan 8.370 nan 0.000 0.522 272 D N 0.525 120.911 120.400 -0.024 0.000 2.570 272 D HA 0.229 4.869 4.640 0.000 0.000 0.244 272 D C 1.076 177.371 176.300 -0.008 0.000 1.178 272 D CA -0.742 53.244 54.000 -0.022 0.000 0.881 272 D CB 1.064 41.851 40.800 -0.021 0.000 1.453 272 D HN 0.068 nan 8.370 nan 0.000 0.447 273 L N 0.230 121.424 121.223 -0.048 0.000 2.362 273 L HA -0.051 4.290 4.340 0.000 0.000 0.219 273 L C 1.750 178.654 176.870 0.057 0.000 1.134 273 L CA 0.685 55.501 54.840 -0.040 0.000 0.807 273 L CB -0.451 41.415 42.059 -0.320 0.000 0.927 273 L HN 0.410 nan 8.230 nan 0.000 0.447 274 S N 0.215 115.927 115.700 0.020 0.000 2.368 274 S HA -0.146 4.324 4.470 0.000 0.000 0.224 274 S C 1.855 176.531 174.600 0.128 0.000 1.029 274 S CA 1.267 59.508 58.200 0.070 0.000 0.988 274 S CB -0.061 63.164 63.200 0.042 0.000 0.838 274 S HN 0.411 nan 8.310 nan 0.000 0.462 275 K N 0.880 121.340 120.400 0.101 0.000 2.418 275 K HA 0.116 4.436 4.320 0.000 0.000 0.195 275 K C 2.206 178.888 176.600 0.138 0.000 1.035 275 K CA 0.206 56.561 56.287 0.114 0.000 1.003 275 K CB 0.053 32.602 32.500 0.082 0.000 0.793 275 K HN 0.306 nan 8.250 nan 0.000 0.494 276 Q N 0.523 120.407 119.800 0.140 0.000 2.123 276 Q HA -0.005 4.335 4.340 0.000 0.000 0.196 276 Q C 1.974 178.107 176.000 0.222 0.000 0.958 276 Q CA 0.950 56.846 55.803 0.156 0.000 0.841 276 Q CB 0.069 28.860 28.738 0.088 0.000 0.915 276 Q HN 0.294 nan 8.270 nan 0.000 0.455 277 A N 0.238 123.203 122.820 0.241 0.000 1.972 277 A HA -0.100 4.220 4.320 0.000 0.000 0.219 277 A C 2.132 179.995 177.584 0.464 0.000 1.169 277 A CA 1.331 53.546 52.037 0.296 0.000 0.635 277 A CB -0.473 18.671 19.000 0.241 0.000 0.810 277 A HN 0.275 nan 8.150 nan 0.000 0.446 278 V N -0.308 119.831 119.914 0.375 0.000 2.379 278 V HA -0.190 3.930 4.120 0.000 0.000 0.245 278 V C 3.017 179.220 176.094 0.182 0.000 1.044 278 V CA 1.689 64.150 62.300 0.268 0.000 1.036 278 V CB -1.203 30.732 31.823 0.186 0.000 0.664 278 V HN 0.596 nan 8.190 nan 0.000 0.453 279 A N -0.598 122.344 122.820 0.205 0.000 1.877 279 A HA -0.285 4.035 4.320 0.000 0.000 0.216 279 A C 2.188 179.889 177.584 0.195 0.000 1.186 279 A CA 2.140 54.289 52.037 0.187 0.000 0.620 279 A CB -0.821 18.314 19.000 0.226 0.000 0.822 279 A HN 0.622 nan 8.150 nan 0.000 0.443 280 Y N 0.188 120.576 120.300 0.147 0.000 2.421 280 Y HA -0.099 4.451 4.550 0.000 0.000 0.292 280 Y C 2.418 178.347 175.900 0.049 0.000 1.136 280 Y CA 1.640 59.786 58.100 0.077 0.000 1.255 280 Y CB -0.275 38.288 38.460 0.172 0.000 0.991 280 Y HN 0.328 nan 8.280 nan 0.000 0.552 281 R N 0.116 120.657 120.500 0.068 0.000 2.073 281 R HA -0.188 4.153 4.340 0.000 0.000 0.229 281 R C 2.428 178.640 176.300 -0.146 0.000 1.120 281 R CA 1.584 57.643 56.100 -0.069 0.000 0.967 281 R CB -0.308 29.932 30.300 -0.099 0.000 0.862 281 R HN 0.522 nan 8.270 nan 0.000 0.436 282 Q N 0.670 120.418 119.800 -0.087 0.000 2.030 282 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 282 Q C 2.167 178.091 176.000 -0.128 0.000 0.986 282 Q CA 1.936 57.687 55.803 -0.087 0.000 0.843 282 Q CB -0.176 28.541 28.738 -0.035 0.000 0.904 282 Q HN 0.419 nan 8.270 nan 0.000 0.420 283 L N 0.252 121.380 121.223 -0.159 0.000 1.990 283 L HA -0.228 4.112 4.340 0.000 0.000 0.213 283 L C 2.826 179.539 176.870 -0.262 0.000 1.072 283 L CA 1.487 56.202 54.840 -0.208 0.000 0.755 283 L CB -0.849 41.054 42.059 -0.260 0.000 0.889 283 L HN 0.324 nan 8.230 nan 0.000 0.432 284 S N 0.097 115.558 115.700 -0.399 0.000 2.359 284 S HA -0.191 4.279 4.470 0.000 0.000 0.223 284 S C 2.014 176.493 174.600 -0.203 0.000 1.039 284 S CA 1.466 59.447 58.200 -0.366 0.000 1.042 284 S CB -0.276 62.642 63.200 -0.470 0.000 0.915 284 S HN 0.272 nan 8.310 nan 0.000 0.439 285 L N 0.879 121.998 121.223 -0.174 0.000 1.994 285 L HA -0.080 4.260 4.340 0.000 0.000 0.208 285 L C 2.447 179.257 176.870 -0.100 0.000 1.071 285 L CA 1.252 56.019 54.840 -0.121 0.000 0.745 285 L CB -0.549 41.440 42.059 -0.116 0.000 0.892 285 L HN 0.344 nan 8.230 nan 0.000 0.431 286 L N -0.462 120.700 121.223 -0.102 0.000 2.353 286 L HA -0.189 4.151 4.340 0.000 0.000 0.220 286 L C 1.905 178.729 176.870 -0.077 0.000 1.133 286 L CA 0.779 55.570 54.840 -0.081 0.000 0.798 286 L CB -0.219 41.793 42.059 -0.078 0.000 0.922 286 L HN 0.326 nan 8.230 nan 0.000 0.445 287 L N -0.454 120.713 121.223 -0.093 0.000 2.653 287 L HA 0.128 4.468 4.340 0.000 0.000 0.232 287 L C 0.703 177.535 176.870 -0.063 0.000 1.169 287 L CA -0.172 54.620 54.840 -0.079 0.000 0.951 287 L CB -0.025 41.976 42.059 -0.097 0.000 1.181 287 L HN 0.234 nan 8.230 nan 0.000 0.460 288 R N -0.067 120.396 120.500 -0.061 0.000 4.000 288 R HA -0.165 4.175 4.340 0.000 0.000 0.362 288 R C 0.138 176.411 176.300 -0.045 0.000 1.183 288 R CA 0.665 56.737 56.100 -0.047 0.000 1.011 288 R CB -1.716 28.564 30.300 -0.034 0.000 1.501 288 R HN 0.427 nan 8.270 nan 0.000 0.553 289 R N 1.484 121.949 120.500 -0.059 0.000 2.442 289 R HA 0.146 4.486 4.340 0.000 0.000 0.291 289 R C -1.975 174.300 176.300 -0.041 0.000 1.069 289 R CA -1.447 54.625 56.100 -0.048 0.000 1.022 289 R CB 0.213 30.473 30.300 -0.067 0.000 0.976 289 R HN -0.135 nan 8.270 nan 0.000 0.443 290 P HA -0.025 nan 4.420 nan 0.000 0.261 290 P C -2.259 175.031 177.300 -0.018 0.000 1.173 290 P CA -0.532 62.558 63.100 -0.017 0.000 0.760 290 P CB 0.112 31.811 31.700 -0.003 0.000 0.783 291 P HA 0.286 nan 4.420 nan 0.000 0.286 291 P C 0.002 177.286 177.300 -0.026 0.000 1.261 291 P CA -0.149 62.931 63.100 -0.034 0.000 0.821 291 P CB 1.793 33.461 31.700 -0.053 0.000 1.013 292 G N 1.813 110.596 108.800 -0.028 0.000 3.310 292 G HA2 0.294 4.254 3.960 0.000 0.000 0.176 292 G HA3 0.294 4.254 3.960 0.000 0.000 0.176 292 G C -0.502 174.343 174.900 -0.091 0.000 1.307 292 G CA -0.630 44.439 45.100 -0.052 0.000 0.935 292 G HN 0.576 nan 8.290 nan 0.000 0.628 293 R N 0.650 121.035 120.500 -0.191 0.000 2.491 293 R HA 0.220 4.560 4.340 0.000 0.000 0.283 293 R C -0.010 176.237 176.300 -0.089 0.000 1.072 293 R CA 0.554 56.538 56.100 -0.193 0.000 1.048 293 R CB -0.046 30.047 30.300 -0.345 0.000 0.983 293 R HN 0.694 nan 8.270 nan 0.000 0.450 294 E N 2.586 122.781 120.200 -0.008 0.000 2.883 294 E HA -0.334 4.016 4.350 0.000 0.000 0.271 294 E C 0.223 176.755 176.600 -0.113 0.000 1.049 294 E CA 0.551 56.975 56.400 0.041 0.000 0.817 294 E CB -1.178 28.680 29.700 0.264 0.000 1.407 294 E HN 0.898 nan 8.360 nan 0.000 0.434 295 A N -2.283 120.471 122.820 -0.111 0.000 3.172 295 A HA -0.294 4.026 4.320 0.000 0.000 0.263 295 A C -0.033 177.430 177.584 -0.202 0.000 1.215 295 A CA 1.637 53.575 52.037 -0.165 0.000 1.065 295 A CB -2.051 16.829 19.000 -0.199 0.000 1.148 295 A HN 0.408 nan 8.150 nan 0.000 0.904 296 Y N 1.034 121.305 120.300 -0.048 0.000 2.319 296 Y HA 0.439 4.989 4.550 0.000 0.000 0.328 296 Y C -1.173 174.731 175.900 0.007 0.000 1.133 296 Y CA -1.340 56.765 58.100 0.008 0.000 1.265 296 Y CB 0.354 38.854 38.460 0.066 0.000 1.218 296 Y HN 0.241 nan 8.280 nan 0.000 0.508 297 P HA -0.060 nan 4.420 nan 0.000 0.271 297 P C 0.606 178.036 177.300 0.218 0.000 1.233 297 P CA 0.351 63.546 63.100 0.158 0.000 0.795 297 P CB 0.721 32.518 31.700 0.161 0.000 0.936 298 G N 0.508 109.412 108.800 0.174 0.000 2.572 298 G HA2 -0.136 3.824 3.960 0.000 0.000 0.216 298 G HA3 -0.136 3.824 3.960 0.000 0.000 0.216 298 G C 0.538 175.585 174.900 0.245 0.000 1.133 298 G CA 0.303 45.509 45.100 0.177 0.000 0.791 298 G HN 0.619 nan 8.290 nan 0.000 0.538 299 D N 0.062 120.645 120.400 0.304 0.000 2.559 299 D HA 0.101 4.741 4.640 0.000 0.000 0.234 299 D C 1.536 178.063 176.300 0.378 0.000 1.226 299 D CA -0.504 53.712 54.000 0.359 0.000 0.830 299 D CB 0.231 41.252 40.800 0.369 0.000 1.028 299 D HN 0.055 nan 8.370 nan 0.000 0.492 300 V N -0.430 119.713 119.914 0.382 0.000 2.719 300 V HA -0.038 4.082 4.120 0.000 0.000 0.252 300 V C 1.653 177.844 176.094 0.162 0.000 1.065 300 V CA 0.927 63.390 62.300 0.272 0.000 1.086 300 V CB -0.655 31.384 31.823 0.360 0.000 0.700 300 V HN 0.202 nan 8.190 nan 0.000 0.467 301 F N 0.272 120.310 119.950 0.147 0.000 2.113 301 F HA -0.169 4.358 4.527 0.000 0.000 0.297 301 F C 2.159 178.028 175.800 0.114 0.000 1.103 301 F CA 2.250 60.306 58.000 0.093 0.000 1.248 301 F CB -0.643 38.407 39.000 0.083 0.000 0.999 301 F HN 0.379 nan 8.300 nan 0.000 0.475 302 Y N 0.566 121.068 120.300 0.336 0.000 2.403 302 Y HA -0.176 4.374 4.550 0.000 0.000 0.291 302 Y C 1.956 177.890 175.900 0.056 0.000 1.143 302 Y CA 1.456 59.680 58.100 0.205 0.000 1.257 302 Y CB -0.708 37.857 38.460 0.175 0.000 0.984 302 Y HN 0.241 nan 8.280 nan 0.000 0.550 303 L N -0.135 120.992 121.223 -0.162 0.000 2.005 303 L HA -0.181 4.159 4.340 0.000 0.000 0.207 303 L C 2.118 178.816 176.870 -0.287 0.000 1.072 303 L CA 2.272 56.920 54.840 -0.319 0.000 0.744 303 L CB -1.024 40.776 42.059 -0.432 0.000 0.895 303 L HN 0.296 nan 8.230 nan 0.000 0.433 304 H N -1.950 116.962 119.070 -0.263 0.000 2.495 304 H HA -0.028 4.529 4.556 0.000 0.000 0.287 304 H C 2.365 177.479 175.328 -0.356 0.000 1.033 304 H CA 0.820 56.649 56.048 -0.364 0.000 1.307 304 H CB 0.241 29.765 29.762 -0.396 0.000 1.401 304 H HN 0.405 nan 8.280 nan 0.000 0.555 305 S N 0.248 115.819 115.700 -0.215 0.000 2.383 305 S HA -0.111 4.359 4.470 0.000 0.000 0.227 305 S C 2.082 176.641 174.600 -0.067 0.000 1.026 305 S CA 0.885 59.001 58.200 -0.140 0.000 0.981 305 S CB 0.095 63.321 63.200 0.042 0.000 0.818 305 S HN 0.353 nan 8.310 nan 0.000 0.472 306 R N 0.189 120.622 120.500 -0.112 0.000 2.070 306 R HA -0.050 4.290 4.340 0.000 0.000 0.233 306 R C 2.334 178.654 176.300 0.033 0.000 1.137 306 R CA 1.633 57.709 56.100 -0.040 0.000 0.945 306 R CB -0.737 29.493 30.300 -0.117 0.000 0.845 306 R HN 0.361 nan 8.270 nan 0.000 0.430 307 L N 1.135 122.333 121.223 -0.041 0.000 2.083 307 L HA -0.135 4.205 4.340 0.000 0.000 0.209 307 L C 1.896 178.658 176.870 -0.180 0.000 1.083 307 L CA 1.584 56.270 54.840 -0.255 0.000 0.752 307 L CB -0.210 41.354 42.059 -0.826 0.000 0.899 307 L HN 0.154 nan 8.230 nan 0.000 0.433 308 L N -1.118 120.009 121.223 -0.160 0.000 2.022 308 L HA -0.089 4.252 4.340 0.000 0.000 0.204 308 L C 2.510 179.368 176.870 -0.020 0.000 1.076 308 L CA 0.847 55.630 54.840 -0.095 0.000 0.749 308 L CB -0.714 41.268 42.059 -0.128 0.000 0.903 308 L HN 0.163 nan 8.230 nan 0.000 0.439 309 E N 0.464 120.657 120.200 -0.012 0.000 2.273 309 E HA -0.224 4.126 4.350 0.000 0.000 0.198 309 E C 2.138 178.758 176.600 0.034 0.000 1.002 309 E CA 0.885 57.296 56.400 0.019 0.000 0.828 309 E CB -0.255 29.466 29.700 0.035 0.000 0.747 309 E HN 0.410 nan 8.360 nan 0.000 0.491 310 R N 0.435 120.958 120.500 0.039 0.000 2.193 310 R HA -0.010 4.330 4.340 0.000 0.000 0.229 310 R C 0.832 177.167 176.300 0.059 0.000 1.110 310 R CA 0.758 56.892 56.100 0.057 0.000 0.988 310 R CB -0.021 30.324 30.300 0.076 0.000 0.871 310 R HN -0.047 nan 8.270 nan 0.000 0.458 311 A N 0.812 123.665 122.820 0.055 0.000 2.276 311 A HA 0.664 4.984 4.320 0.000 0.000 0.300 311 A C -0.344 177.261 177.584 0.036 0.000 1.235 311 A CA -0.068 51.999 52.037 0.051 0.000 0.867 311 A CB 0.742 19.776 19.000 0.056 0.000 1.137 311 A HN 0.288 nan 8.150 nan 0.000 0.527 312 A N 2.320 125.161 122.820 0.035 0.000 2.467 312 A HA 0.741 5.061 4.320 0.000 0.000 0.301 312 A C -1.009 176.596 177.584 0.034 0.000 1.126 312 A CA -0.679 51.377 52.037 0.031 0.000 0.632 312 A CB 0.652 19.671 19.000 0.032 0.000 1.331 312 A HN 0.892 nan 8.150 nan 0.000 0.482 313 K N 1.076 121.498 120.400 0.036 0.000 2.281 313 K HA 0.655 4.975 4.320 0.000 0.000 0.272 313 K C -0.970 175.660 176.600 0.050 0.000 1.048 313 K CA -0.234 56.083 56.287 0.049 0.000 0.898 313 K CB 0.112 32.645 32.500 0.056 0.000 1.128 313 K HN 0.572 nan 8.250 nan 0.000 0.460 314 L N 3.040 124.289 121.223 0.043 0.000 2.473 314 L HA 0.137 4.477 4.340 0.000 0.000 0.268 314 L C 0.632 177.524 176.870 0.036 0.000 1.215 314 L CA -0.211 54.646 54.840 0.028 0.000 0.823 314 L CB 0.776 42.839 42.059 0.007 0.000 1.099 314 L HN 0.885 nan 8.230 nan 0.000 0.483 315 S N 0.075 115.788 115.700 0.023 0.000 2.614 315 S HA 0.039 4.509 4.470 0.000 0.000 0.265 315 S C 0.839 175.448 174.600 0.014 0.000 1.303 315 S CA -0.569 57.643 58.200 0.020 0.000 1.000 315 S CB 1.224 64.430 63.200 0.010 0.000 0.935 315 S HN 0.741 nan 8.310 nan 0.000 0.551 316 E N 0.748 120.954 120.200 0.011 0.000 2.219 316 E HA -0.222 4.128 4.350 0.000 0.000 0.198 316 E C 1.839 178.436 176.600 -0.004 0.000 0.998 316 E CA 1.240 57.643 56.400 0.004 0.000 0.818 316 E CB -0.093 29.604 29.700 -0.005 0.000 0.741 316 E HN 0.763 nan 8.360 nan 0.000 0.477 317 K N 0.120 120.517 120.400 -0.005 0.000 2.217 317 K HA -0.173 4.147 4.320 0.000 0.000 0.202 317 K C 1.844 178.436 176.600 -0.014 0.000 1.051 317 K CA 1.265 57.547 56.287 -0.009 0.000 0.952 317 K CB 0.163 32.659 32.500 -0.007 0.000 0.736 317 K HN -0.050 nan 8.250 nan 0.000 0.453 318 E N -1.386 118.806 120.200 -0.014 0.000 2.099 318 E HA 0.040 4.391 4.350 0.000 0.000 0.191 318 E C 0.965 177.543 176.600 -0.038 0.000 0.962 318 E CA 1.353 57.739 56.400 -0.023 0.000 0.826 318 E CB 0.703 30.392 29.700 -0.018 0.000 0.788 318 E HN 0.357 nan 8.360 nan 0.000 0.461 319 G N -2.119 106.659 108.800 -0.036 0.000 4.511 319 G HA2 -0.058 3.902 3.960 0.000 0.000 0.220 319 G HA3 -0.058 3.902 3.960 0.000 0.000 0.220 319 G C 0.332 175.204 174.900 -0.047 0.000 0.733 319 G CA 0.188 45.255 45.100 -0.055 0.000 0.897 319 G HN 0.084 nan 8.290 nan 0.000 0.691 320 S N -1.056 114.636 115.700 -0.013 0.000 3.127 320 S HA -0.178 4.292 4.470 0.000 0.000 0.281 320 S C 1.515 176.122 174.600 0.012 0.000 1.293 320 S CA 1.460 59.677 58.200 0.028 0.000 1.156 320 S CB -1.473 61.754 63.200 0.046 0.000 1.389 320 S HN 1.822 nan 8.310 nan 0.000 0.672 321 G N 1.025 109.785 108.800 -0.066 0.000 2.684 321 G HA2 0.542 4.502 3.960 0.000 0.000 0.255 321 G HA3 0.542 4.502 3.960 0.000 0.000 0.255 321 G C -0.062 174.838 174.900 -0.000 0.000 1.219 321 G CA 0.423 45.441 45.100 -0.137 0.000 0.901 321 G HN 1.346 nan 8.290 nan 0.000 0.548 322 S N -1.548 114.181 115.700 0.049 0.000 2.565 322 S HA 0.607 5.077 4.470 0.000 0.000 0.269 322 S C -1.599 173.059 174.600 0.096 0.000 1.153 322 S CA -0.834 57.431 58.200 0.110 0.000 0.835 322 S CB 1.940 65.243 63.200 0.171 0.000 1.122 322 S HN 1.167 nan 8.310 nan 0.000 0.462 323 L N 1.647 122.908 121.223 0.064 0.000 2.441 323 L HA 0.693 5.033 4.340 0.000 0.000 0.270 323 L C -0.800 176.081 176.870 0.018 0.000 0.973 323 L CA 0.206 55.075 54.840 0.048 0.000 0.842 323 L CB 1.811 43.906 42.059 0.060 0.000 1.239 323 L HN 0.944 nan 8.230 nan 0.000 0.406 324 T N 3.966 118.515 114.554 -0.010 0.000 2.837 324 T HA 0.819 5.169 4.350 0.000 0.000 0.285 324 T C -0.166 174.503 174.700 -0.051 0.000 0.984 324 T CA -0.242 61.839 62.100 -0.033 0.000 1.049 324 T CB 1.433 70.267 68.868 -0.057 0.000 0.947 324 T HN 0.786 nan 8.240 nan 0.000 0.472 325 A N 3.345 126.145 122.820 -0.033 0.000 2.303 325 A HA 0.729 5.049 4.320 0.000 0.000 0.320 325 A C -0.406 177.154 177.584 -0.041 0.000 1.192 325 A CA -0.720 51.296 52.037 -0.035 0.000 0.821 325 A CB 0.414 19.466 19.000 0.085 0.000 1.188 325 A HN 0.879 nan 8.150 nan 0.000 0.492 326 L N 4.437 125.602 121.223 -0.096 0.000 2.502 326 L HA 0.302 4.642 4.340 0.000 0.000 0.247 326 L C -2.528 174.317 176.870 -0.043 0.000 1.180 326 L CA -1.746 53.055 54.840 -0.065 0.000 0.956 326 L CB 1.515 43.529 42.059 -0.076 0.000 1.282 326 L HN 0.438 nan 8.230 nan 0.000 0.470 327 P HA 0.168 nan 4.420 nan 0.000 0.274 327 P C -0.669 176.618 177.300 -0.022 0.000 1.237 327 P CA -0.201 62.941 63.100 0.069 0.000 0.793 327 P CB 1.405 33.107 31.700 0.004 0.000 0.977 328 V N 3.718 123.610 119.914 -0.037 0.000 2.540 328 V HA 0.401 4.521 4.120 0.000 0.000 0.302 328 V C -0.220 175.831 176.094 -0.072 0.000 1.035 328 V CA -0.430 61.837 62.300 -0.055 0.000 0.873 328 V CB 1.702 33.496 31.823 -0.048 0.000 0.992 328 V HN 0.370 nan 8.190 nan 0.000 0.428 329 I N 3.515 124.041 120.570 -0.073 0.000 2.439 329 I HA 0.395 4.565 4.170 0.000 0.000 0.283 329 I C 0.081 176.167 176.117 -0.052 0.000 1.023 329 I CA -0.458 60.800 61.300 -0.070 0.000 1.100 329 I CB 1.814 39.764 38.000 -0.083 0.000 1.238 329 I HN 0.737 nan 8.210 nan 0.000 0.445 330 E N 4.756 124.937 120.200 -0.032 0.000 2.223 330 E HA 0.309 4.659 4.350 0.000 0.000 0.282 330 E C -0.128 176.472 176.600 -0.000 0.000 1.046 330 E CA -0.227 56.158 56.400 -0.025 0.000 0.857 330 E CB 0.943 30.638 29.700 -0.008 0.000 1.055 330 E HN 0.680 nan 8.360 nan 0.000 0.409 331 T N 1.796 116.347 114.554 -0.005 0.000 2.912 331 T HA 0.348 4.698 4.350 0.000 0.000 0.280 331 T C -0.156 174.570 174.700 0.043 0.000 0.989 331 T CA -1.041 61.082 62.100 0.037 0.000 0.995 331 T CB 1.464 70.376 68.868 0.073 0.000 1.077 331 T HN 0.273 nan 8.240 nan 0.000 0.531 332 Q N 0.501 120.341 119.800 0.066 0.000 2.454 332 Q HA 0.477 4.817 4.340 0.000 0.000 0.255 332 Q C 0.714 176.758 176.000 0.072 0.000 1.034 332 Q CA -0.014 55.827 55.803 0.063 0.000 0.736 332 Q CB 0.951 29.729 28.738 0.067 0.000 1.210 332 Q HN 1.351 nan 8.270 nan 0.000 0.500 333 G N 1.081 109.924 108.800 0.071 0.000 2.137 333 G HA2 -0.228 3.732 3.960 0.000 0.000 0.237 333 G HA3 -0.228 3.732 3.960 0.000 0.000 0.237 333 G C 0.737 175.704 174.900 0.112 0.000 1.002 333 G CA 0.345 45.493 45.100 0.081 0.000 0.702 333 G HN 1.209 nan 8.290 nan 0.000 0.515 334 G N -0.604 108.283 108.800 0.145 0.000 2.166 334 G HA2 -0.226 3.734 3.960 0.000 0.000 0.260 334 G HA3 -0.226 3.734 3.960 0.000 0.000 0.260 334 G C 0.208 175.239 174.900 0.218 0.000 0.986 334 G CA 1.082 46.341 45.100 0.264 0.000 0.683 334 G HN 1.571 nan 8.290 nan 0.000 0.527 335 D N 0.592 121.078 120.400 0.143 0.000 2.416 335 D HA 0.371 5.011 4.640 0.000 0.000 0.240 335 D C 1.797 178.165 176.300 0.113 0.000 1.250 335 D CA 0.398 54.462 54.000 0.106 0.000 0.967 335 D CB 0.447 41.299 40.800 0.088 0.000 1.059 335 D HN 0.567 nan 8.370 nan 0.000 0.512 336 V N 0.939 120.916 119.914 0.105 0.000 3.573 336 V HA 0.011 4.131 4.120 0.000 0.000 0.270 336 V C 1.593 177.719 176.094 0.053 0.000 1.221 336 V CA 0.506 62.861 62.300 0.092 0.000 1.163 336 V CB -0.200 31.664 31.823 0.068 0.000 0.847 336 V HN 0.303 nan 8.190 nan 0.000 0.468 337 S N 0.952 116.684 115.700 0.053 0.000 2.496 337 S HA 0.402 4.872 4.470 0.000 0.000 0.224 337 S C 1.405 176.051 174.600 0.078 0.000 0.996 337 S CA 0.496 58.727 58.200 0.052 0.000 0.927 337 S CB -0.207 63.022 63.200 0.047 0.000 0.774 337 S HN 0.890 nan 8.310 nan 0.000 0.524 338 A N 0.814 123.688 122.820 0.090 0.000 2.492 338 A HA 0.215 4.535 4.320 0.000 0.000 0.236 338 A C 0.890 178.557 177.584 0.138 0.000 1.078 338 A CA -0.044 52.069 52.037 0.126 0.000 0.773 338 A CB -0.206 18.867 19.000 0.121 0.000 1.023 338 A HN 0.352 nan 8.150 nan 0.000 0.504 339 Y N 1.235 121.567 120.300 0.053 0.000 2.049 339 Y HA -0.230 4.320 4.550 0.000 0.000 0.277 339 Y C 2.001 177.898 175.900 -0.005 0.000 1.143 339 Y CA 2.415 60.537 58.100 0.037 0.000 1.115 339 Y CB -0.151 38.338 38.460 0.047 0.000 0.975 339 Y HN 0.531 nan 8.280 nan 0.000 0.487 340 I N 0.538 121.100 120.570 -0.012 0.000 2.127 340 I HA -0.233 3.937 4.170 0.000 0.000 0.241 340 I C -0.377 175.666 176.117 -0.124 0.000 1.075 340 I CA 1.695 62.919 61.300 -0.127 0.000 1.334 340 I CB -2.837 35.094 38.000 -0.115 0.000 1.040 340 I HN 0.203 nan 8.210 nan 0.000 0.405 341 P HA -0.103 nan 4.420 nan 0.000 0.215 341 P C 1.801 179.067 177.300 -0.056 0.000 1.153 341 P CA 1.676 64.749 63.100 -0.047 0.000 0.853 341 P CB -0.221 31.490 31.700 0.019 0.000 0.788 342 T N -0.800 113.723 114.554 -0.051 0.000 2.803 342 T HA -0.133 4.217 4.350 0.000 0.000 0.269 342 T C 1.585 176.250 174.700 -0.057 0.000 1.052 342 T CA 1.436 63.508 62.100 -0.045 0.000 1.136 342 T CB -0.767 68.078 68.868 -0.038 0.000 0.864 342 T HN 0.119 nan 8.240 nan 0.000 0.467 343 N N 0.738 119.361 118.700 -0.128 0.000 2.109 343 N HA -0.028 4.712 4.740 0.000 0.000 0.188 343 N C 1.985 177.378 175.510 -0.196 0.000 1.034 343 N CA 0.790 53.779 53.050 -0.102 0.000 0.846 343 N CB -0.799 37.568 38.487 -0.200 0.000 1.010 343 N HN 0.195 nan 8.380 nan 0.000 0.425 344 V N 1.626 121.398 119.914 -0.238 0.000 2.407 344 V HA -0.142 3.978 4.120 0.000 0.000 0.248 344 V C 2.188 178.193 176.094 -0.148 0.000 1.055 344 V CA 1.115 63.257 62.300 -0.263 0.000 1.049 344 V CB -0.488 31.149 31.823 -0.311 0.000 0.662 344 V HN 0.250 nan 8.190 nan 0.000 0.455 345 I N 1.286 121.804 120.570 -0.087 0.000 2.252 345 I HA -0.209 3.961 4.170 0.000 0.000 0.245 345 I C 2.625 178.733 176.117 -0.016 0.000 1.102 345 I CA 1.883 63.161 61.300 -0.037 0.000 1.385 345 I CB -0.463 37.530 38.000 -0.011 0.000 1.064 345 I HN 0.498 nan 8.210 nan 0.000 0.414 346 S N 0.534 116.239 115.700 0.008 0.000 2.481 346 S HA 0.004 4.474 4.470 0.000 0.000 0.231 346 S C 1.774 176.411 174.600 0.062 0.000 0.996 346 S CA 0.571 58.805 58.200 0.056 0.000 0.942 346 S CB -0.453 62.820 63.200 0.121 0.000 0.768 346 S HN 0.423 nan 8.310 nan 0.000 0.520 347 I N 1.914 122.481 120.570 -0.005 0.000 2.512 347 I HA 0.009 4.179 4.170 0.000 0.000 0.247 347 I C 1.588 177.686 176.117 -0.032 0.000 1.094 347 I CA 0.704 61.985 61.300 -0.031 0.000 1.427 347 I CB -0.986 36.908 38.000 -0.176 0.000 1.149 347 I HN 0.358 nan 8.210 nan 0.000 0.438 348 T N -1.051 113.470 114.554 -0.056 0.000 2.734 348 T HA -0.031 4.319 4.350 0.000 0.000 0.314 348 T C 0.572 175.263 174.700 -0.014 0.000 1.057 348 T CA -0.173 61.903 62.100 -0.040 0.000 1.047 348 T CB 0.656 69.495 68.868 -0.049 0.000 0.991 348 T HN 0.133 nan 8.240 nan 0.000 0.540 349 D N 0.238 120.633 120.400 -0.009 0.000 2.350 349 D HA 0.253 4.893 4.640 0.000 0.000 0.213 349 D C 0.936 177.236 176.300 -0.000 0.000 1.031 349 D CA 0.460 54.460 54.000 -0.001 0.000 0.861 349 D CB 0.256 41.056 40.800 -0.000 0.000 0.926 349 D HN 0.831 nan 8.370 nan 0.000 0.520 350 G N 0.021 108.820 108.800 -0.003 0.000 2.646 350 G HA2 0.492 4.452 3.960 0.000 0.000 0.291 350 G HA3 0.492 4.452 3.960 0.000 0.000 0.291 350 G C -1.804 173.100 174.900 0.007 0.000 1.445 350 G CA -0.630 44.472 45.100 0.003 0.000 0.814 350 G HN -0.141 nan 8.290 nan 0.000 0.495 351 Q N -0.495 119.318 119.800 0.021 0.000 2.315 351 Q HA 0.617 4.957 4.340 0.000 0.000 0.273 351 Q C -0.784 175.252 176.000 0.061 0.000 1.053 351 Q CA -0.381 55.447 55.803 0.041 0.000 0.817 351 Q CB 2.951 31.723 28.738 0.056 0.000 1.326 351 Q HN 0.511 nan 8.270 nan 0.000 0.423 352 I N 2.632 123.240 120.570 0.063 0.000 2.464 352 I HA 0.324 4.494 4.170 0.000 0.000 0.277 352 I C -1.000 175.175 176.117 0.097 0.000 1.040 352 I CA -0.668 60.674 61.300 0.070 0.000 1.153 352 I CB 0.540 38.556 38.000 0.026 0.000 1.274 352 I HN 0.518 nan 8.210 nan 0.000 0.469 353 F N 7.159 127.110 119.950 0.001 0.000 2.427 353 F HA 0.447 4.974 4.527 0.000 0.000 0.352 353 F C -0.639 175.169 175.800 0.012 0.000 1.100 353 F CA -0.250 57.752 58.000 0.004 0.000 1.191 353 F CB 0.809 39.814 39.000 0.009 0.000 1.128 353 F HN 0.210 nan 8.300 nan 0.000 0.533 354 L N 6.085 126.998 121.223 -0.517 0.000 2.318 354 L HA 0.325 4.665 4.340 0.000 0.000 0.277 354 L C -0.251 176.393 176.870 -0.378 0.000 1.008 354 L CA -0.262 54.404 54.840 -0.290 0.000 0.846 354 L CB 1.324 43.253 42.059 -0.216 0.000 1.220 354 L HN 0.572 nan 8.230 nan 0.000 0.423 355 E N 1.062 121.237 120.200 -0.041 0.000 2.373 355 E HA 0.347 4.697 4.350 0.000 0.000 0.263 355 E C 0.540 177.174 176.600 0.057 0.000 1.073 355 E CA 0.096 56.551 56.400 0.091 0.000 0.894 355 E CB 1.403 31.258 29.700 0.258 0.000 1.008 355 E HN 0.677 nan 8.360 nan 0.000 0.420 356 A N 2.697 125.571 122.820 0.090 0.000 1.930 356 A HA -0.128 4.192 4.320 0.000 0.000 0.215 356 A C 1.703 179.447 177.584 0.267 0.000 1.176 356 A CA 0.750 52.865 52.037 0.129 0.000 0.632 356 A CB -0.125 18.988 19.000 0.188 0.000 0.819 356 A HN 0.595 nan 8.150 nan 0.000 0.445 357 E N 0.464 120.810 120.200 0.243 0.000 2.085 357 E HA -0.179 4.171 4.350 0.000 0.000 0.194 357 E C 1.954 178.682 176.600 0.212 0.000 0.994 357 E CA 1.120 57.665 56.400 0.242 0.000 0.801 357 E CB -0.425 29.376 29.700 0.169 0.000 0.743 357 E HN 0.670 nan 8.360 nan 0.000 0.453 358 L N -0.222 121.103 121.223 0.170 0.000 2.141 358 L HA -0.124 4.216 4.340 0.000 0.000 0.209 358 L C 2.427 179.357 176.870 0.099 0.000 1.094 358 L CA 0.683 55.600 54.840 0.128 0.000 0.763 358 L CB -0.373 41.758 42.059 0.121 0.000 0.908 358 L HN 0.035 nan 8.230 nan 0.000 0.437 359 F N 0.072 119.979 119.950 -0.073 0.000 2.084 359 F HA -0.233 4.294 4.527 0.000 0.000 0.296 359 F C 2.305 177.993 175.800 -0.186 0.000 1.111 359 F CA 1.524 59.401 58.000 -0.204 0.000 1.224 359 F CB -0.307 38.447 39.000 -0.409 0.000 0.991 359 F HN -0.082 nan 8.300 nan 0.000 0.471 360 Y N 0.271 120.696 120.300 0.209 0.000 2.421 360 Y HA -0.116 4.434 4.550 0.000 0.000 0.292 360 Y C 2.308 178.217 175.900 0.016 0.000 1.136 360 Y CA 1.286 59.450 58.100 0.107 0.000 1.255 360 Y CB -0.757 37.787 38.460 0.140 0.000 0.991 360 Y HN 0.054 nan 8.280 nan 0.000 0.552 361 K N -0.458 120.028 120.400 0.144 0.000 2.439 361 K HA 0.037 4.357 4.320 0.000 0.000 0.197 361 K C 1.425 178.032 176.600 0.011 0.000 1.041 361 K CA 0.988 57.324 56.287 0.081 0.000 0.970 361 K CB -0.158 32.393 32.500 0.086 0.000 0.773 361 K HN 0.467 nan 8.250 nan 0.000 0.479 362 G N 0.551 109.309 108.800 -0.069 0.000 2.391 362 G HA2 -0.191 3.769 3.960 0.000 0.000 0.204 362 G HA3 -0.191 3.769 3.960 0.000 0.000 0.204 362 G C -0.086 174.721 174.900 -0.155 0.000 1.012 362 G CA -0.130 44.897 45.100 -0.123 0.000 0.651 362 G HN 0.136 nan 8.290 nan 0.000 0.494 363 I N 3.057 123.574 120.570 -0.090 0.000 2.792 363 I HA 0.299 4.469 4.170 0.000 0.000 0.284 363 I C 0.847 176.898 176.117 -0.110 0.000 1.166 363 I CA 1.028 62.291 61.300 -0.062 0.000 1.375 363 I CB 0.047 38.050 38.000 0.005 0.000 1.421 363 I HN 0.193 nan 8.210 nan 0.000 0.544 364 R N 7.633 128.064 120.500 -0.116 0.000 2.533 364 R HA 0.438 4.778 4.340 0.000 0.000 0.288 364 R C -2.638 173.633 176.300 -0.047 0.000 1.039 364 R CA -1.742 54.293 56.100 -0.109 0.000 0.909 364 R CB 1.942 32.101 30.300 -0.236 0.000 1.195 364 R HN 0.246 nan 8.270 nan 0.000 0.438 365 P HA 0.059 nan 4.420 nan 0.000 0.275 365 P C -0.600 176.724 177.300 0.039 0.000 1.227 365 P CA -0.339 62.776 63.100 0.024 0.000 0.781 365 P CB 0.975 32.683 31.700 0.013 0.000 0.906 366 A N 5.181 128.056 122.820 0.091 0.000 2.489 366 A HA 0.278 4.598 4.320 0.000 0.000 0.289 366 A C 0.238 177.864 177.584 0.069 0.000 1.216 366 A CA 0.082 52.173 52.037 0.091 0.000 0.883 366 A CB -1.094 17.997 19.000 0.151 0.000 1.110 366 A HN 0.351 nan 8.150 nan 0.000 0.523 367 I N 3.222 123.834 120.570 0.072 0.000 2.411 367 I HA 0.144 4.314 4.170 0.000 0.000 0.284 367 I C 0.073 176.256 176.117 0.110 0.000 1.012 367 I CA -0.753 60.596 61.300 0.082 0.000 1.119 367 I CB 1.211 39.246 38.000 0.058 0.000 1.261 367 I HN 0.601 nan 8.210 nan 0.000 0.448 368 N N 6.286 125.083 118.700 0.161 0.000 2.819 368 N HA 0.061 4.801 4.740 0.000 0.000 0.284 368 N C 1.097 176.674 175.510 0.112 0.000 1.196 368 N CA 0.078 53.222 53.050 0.157 0.000 1.114 368 N CB 0.501 39.123 38.487 0.225 0.000 1.437 368 N HN 0.400 nan 8.380 nan 0.000 0.518 369 V N 2.131 122.099 119.914 0.090 0.000 2.370 369 V HA -0.266 3.854 4.120 0.000 0.000 0.252 369 V C 2.409 178.537 176.094 0.057 0.000 1.068 369 V CA 2.212 64.555 62.300 0.071 0.000 1.061 369 V CB -1.154 30.709 31.823 0.068 0.000 0.656 369 V HN 0.670 nan 8.190 nan 0.000 0.455 370 G N -0.283 108.549 108.800 0.053 0.000 2.491 370 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 370 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 370 G C 1.518 176.424 174.900 0.009 0.000 1.180 370 G CA 1.411 46.529 45.100 0.030 0.000 0.774 370 G HN 0.479 nan 8.290 nan 0.000 0.562 371 L N 0.896 122.117 121.223 -0.004 0.000 2.116 371 L HA 0.109 4.449 4.340 0.000 0.000 0.200 371 L C 1.836 178.708 176.870 0.004 0.000 1.084 371 L CA 0.560 55.378 54.840 -0.037 0.000 0.766 371 L CB -0.790 41.187 42.059 -0.138 0.000 0.930 371 L HN 0.272 nan 8.230 nan 0.000 0.453 372 S N 1.705 117.436 115.700 0.051 0.000 2.737 372 S HA 0.250 4.720 4.470 0.000 0.000 0.315 372 S C -0.296 174.332 174.600 0.046 0.000 1.236 372 S CA -0.640 57.606 58.200 0.076 0.000 1.093 372 S CB -0.376 62.894 63.200 0.118 0.000 0.832 372 S HN 0.210 nan 8.310 nan 0.000 0.507 373 V N -0.206 119.728 119.914 0.034 0.000 3.049 373 V HA 0.872 4.992 4.120 0.000 0.000 0.309 373 V C -0.199 175.906 176.094 0.019 0.000 1.148 373 V CA -0.885 61.429 62.300 0.024 0.000 0.990 373 V CB 1.539 33.372 31.823 0.017 0.000 1.039 373 V HN 0.845 nan 8.190 nan 0.000 0.430 374 S N 1.474 117.182 115.700 0.015 0.000 2.509 374 S HA 0.555 5.025 4.470 0.000 0.000 0.297 374 S C 0.762 175.367 174.600 0.008 0.000 1.118 374 S CA -0.672 57.533 58.200 0.009 0.000 1.074 374 S CB 1.758 64.961 63.200 0.005 0.000 1.038 374 S HN 0.825 nan 8.310 nan 0.000 0.498 375 R N 2.552 123.056 120.500 0.007 0.000 2.093 375 R HA 0.028 4.368 4.340 0.000 0.000 0.224 375 R C 1.779 178.083 176.300 0.008 0.000 1.101 375 R CA 1.076 57.181 56.100 0.008 0.000 0.979 375 R CB -0.444 29.861 30.300 0.009 0.000 0.877 375 R HN 0.528 nan 8.270 nan 0.000 0.441 376 V N 0.085 120.002 119.914 0.005 0.000 2.232 376 V HA -0.035 4.085 4.120 0.000 0.000 0.239 376 V C 1.954 178.051 176.094 0.005 0.000 1.040 376 V CA 1.896 64.199 62.300 0.005 0.000 0.996 376 V CB -1.121 30.701 31.823 -0.001 0.000 0.638 376 V HN 0.660 nan 8.190 nan 0.000 0.453 377 G N 0.106 108.907 108.800 0.001 0.000 2.793 377 G HA2 -0.431 3.529 3.960 0.000 0.000 0.334 377 G HA3 -0.431 3.529 3.960 0.000 0.000 0.334 377 G C 1.312 176.214 174.900 0.004 0.000 1.186 377 G CA 1.241 46.343 45.100 0.003 0.000 0.960 377 G HN 0.466 nan 8.290 nan 0.000 0.562 378 S N 0.958 116.664 115.700 0.010 0.000 2.380 378 S HA -0.139 4.331 4.470 0.000 0.000 0.229 378 S C 2.804 177.411 174.600 0.012 0.000 1.050 378 S CA 3.186 61.393 58.200 0.012 0.000 1.100 378 S CB -0.871 62.337 63.200 0.015 0.000 0.984 378 S HN 1.764 nan 8.310 nan 0.000 0.434 379 A N 0.596 123.425 122.820 0.015 0.000 2.070 379 A HA 0.229 4.549 4.320 0.000 0.000 0.220 379 A C 2.062 179.659 177.584 0.021 0.000 1.159 379 A CA 1.569 53.620 52.037 0.024 0.000 0.656 379 A CB -0.592 18.427 19.000 0.032 0.000 0.800 379 A HN 0.553 nan 8.150 nan 0.000 0.453 380 A N -1.583 121.236 122.820 -0.001 0.000 2.220 380 A HA 0.254 4.575 4.320 0.000 0.000 0.211 380 A C 1.099 178.660 177.584 -0.039 0.000 1.176 380 A CA 0.131 52.149 52.037 -0.031 0.000 0.834 380 A CB -0.097 18.876 19.000 -0.045 0.000 0.868 380 A HN 0.576 nan 8.150 nan 0.000 0.488 381 Q N 0.350 120.140 119.800 -0.017 0.000 2.299 381 Q HA 0.439 4.779 4.340 0.000 0.000 0.246 381 Q C -0.722 175.273 176.000 -0.009 0.000 0.935 381 Q CA -0.483 55.312 55.803 -0.013 0.000 0.887 381 Q CB 1.180 29.918 28.738 0.000 0.000 1.223 381 Q HN 0.195 nan 8.270 nan 0.000 0.439 382 V N 4.435 124.344 119.914 -0.008 0.000 2.540 382 V HA -0.110 4.010 4.120 0.000 0.000 0.297 382 V C 1.417 177.516 176.094 0.009 0.000 1.024 382 V CA 0.535 62.836 62.300 0.000 0.000 1.105 382 V CB 0.722 32.551 31.823 0.011 0.000 0.938 382 V HN 0.903 nan 8.190 nan 0.000 0.482 383 K N 3.971 124.377 120.400 0.009 0.000 2.103 383 K HA -0.206 4.114 4.320 0.000 0.000 0.207 383 K C 2.060 178.668 176.600 0.014 0.000 1.048 383 K CA 1.714 58.009 56.287 0.013 0.000 0.930 383 K CB -0.156 32.351 32.500 0.012 0.000 0.716 383 K HN 0.871 nan 8.250 nan 0.000 0.444 384 A N 0.643 123.470 122.820 0.012 0.000 1.898 384 A HA -0.118 4.202 4.320 0.000 0.000 0.216 384 A C 1.979 179.573 177.584 0.017 0.000 1.181 384 A CA 1.056 53.099 52.037 0.009 0.000 0.620 384 A CB -0.503 18.498 19.000 0.003 0.000 0.819 384 A HN 0.328 nan 8.150 nan 0.000 0.442 385 L N 0.039 121.274 121.223 0.020 0.000 2.131 385 L HA -0.098 4.242 4.340 0.000 0.000 0.210 385 L C 2.293 179.180 176.870 0.030 0.000 1.092 385 L CA 2.359 57.215 54.840 0.026 0.000 0.759 385 L CB -0.398 41.674 42.059 0.023 0.000 0.903 385 L HN 0.476 nan 8.230 nan 0.000 0.435 386 K N -1.187 119.229 120.400 0.026 0.000 2.211 386 K HA -0.181 4.139 4.320 0.000 0.000 0.203 386 K C 1.968 178.591 176.600 0.038 0.000 1.050 386 K CA 1.322 57.627 56.287 0.029 0.000 0.945 386 K CB 0.033 32.547 32.500 0.024 0.000 0.732 386 K HN 0.489 nan 8.250 nan 0.000 0.451 387 Q N 0.030 119.854 119.800 0.040 0.000 2.137 387 Q HA -0.076 4.264 4.340 0.000 0.000 0.198 387 Q C 1.963 178.012 176.000 0.082 0.000 0.960 387 Q CA 1.409 57.244 55.803 0.053 0.000 0.847 387 Q CB 0.244 29.007 28.738 0.042 0.000 0.915 387 Q HN 0.314 nan 8.270 nan 0.000 0.448 388 V N -3.016 116.948 119.914 0.085 0.000 3.217 388 V HA 0.223 4.343 4.120 0.000 0.000 0.264 388 V C 1.038 177.180 176.094 0.080 0.000 1.135 388 V CA 0.990 63.368 62.300 0.131 0.000 1.142 388 V CB -0.115 31.783 31.823 0.124 0.000 0.754 388 V HN 0.178 nan 8.190 nan 0.000 0.484 389 A N 0.160 123.013 122.820 0.055 0.000 2.992 389 A HA 0.689 5.009 4.320 0.000 0.000 0.263 389 A C 1.505 179.118 177.584 0.047 0.000 0.928 389 A CA 0.312 52.372 52.037 0.038 0.000 1.061 389 A CB -0.050 18.968 19.000 0.029 0.000 1.173 389 A HN 0.457 nan 8.150 nan 0.000 0.482 390 G N 0.868 109.701 108.800 0.055 0.000 2.440 390 G HA2 -0.090 3.870 3.960 0.000 0.000 0.218 390 G HA3 -0.090 3.870 3.960 0.000 0.000 0.218 390 G C 1.087 176.027 174.900 0.067 0.000 1.154 390 G CA 1.698 46.832 45.100 0.057 0.000 0.767 390 G HN 1.278 nan 8.290 nan 0.000 0.552 391 S N -0.817 114.938 115.700 0.092 0.000 2.902 391 S HA 0.310 4.780 4.470 0.000 0.000 0.250 391 S C 1.205 175.919 174.600 0.189 0.000 1.046 391 S CA -0.272 58.006 58.200 0.130 0.000 1.069 391 S CB 0.539 63.832 63.200 0.155 0.000 0.967 391 S HN 0.117 nan 8.310 nan 0.000 0.530 392 L N 1.790 123.083 121.223 0.116 0.000 2.131 392 L HA 0.226 4.566 4.340 0.000 0.000 0.210 392 L C 2.249 179.192 176.870 0.122 0.000 1.092 392 L CA 1.892 56.791 54.840 0.098 0.000 0.759 392 L CB -0.514 41.564 42.059 0.031 0.000 0.903 392 L HN 0.330 nan 8.230 nan 0.000 0.435 393 K N -0.643 119.814 120.400 0.094 0.000 2.057 393 K HA -0.150 4.170 4.320 0.000 0.000 0.207 393 K C 1.847 178.500 176.600 0.088 0.000 1.049 393 K CA 1.693 58.027 56.287 0.078 0.000 0.931 393 K CB -0.370 32.164 32.500 0.055 0.000 0.714 393 K HN 0.285 nan 8.250 nan 0.000 0.440 394 L N -0.501 120.779 121.223 0.094 0.000 1.988 394 L HA -0.045 4.295 4.340 0.000 0.000 0.207 394 L C 2.094 178.990 176.870 0.042 0.000 1.071 394 L CA 1.611 56.477 54.840 0.043 0.000 0.744 394 L CB -0.791 41.270 42.059 0.004 0.000 0.893 394 L HN 0.092 nan 8.230 nan 0.000 0.433 395 F N -0.375 119.582 119.950 0.012 0.000 2.065 395 F HA -0.295 4.232 4.527 0.000 0.000 0.298 395 F C 2.354 178.183 175.800 0.048 0.000 1.112 395 F CA 1.646 59.656 58.000 0.016 0.000 1.212 395 F CB -0.583 38.409 39.000 -0.012 0.000 0.975 395 F HN -0.048 nan 8.300 nan 0.000 0.476 396 L N -0.915 120.449 121.223 0.236 0.000 2.131 396 L HA -0.239 4.101 4.340 0.000 0.000 0.210 396 L C 2.635 179.613 176.870 0.180 0.000 1.092 396 L CA 0.951 55.900 54.840 0.182 0.000 0.759 396 L CB -0.963 41.165 42.059 0.115 0.000 0.903 396 L HN 0.177 nan 8.230 nan 0.000 0.435 397 A N -0.201 122.690 122.820 0.117 0.000 1.877 397 A HA -0.263 4.057 4.320 0.000 0.000 0.216 397 A C 2.209 179.833 177.584 0.066 0.000 1.186 397 A CA 1.670 53.752 52.037 0.076 0.000 0.620 397 A CB -0.466 18.558 19.000 0.039 0.000 0.822 397 A HN 0.453 nan 8.150 nan 0.000 0.443 398 Q N -2.117 117.711 119.800 0.048 0.000 2.119 398 Q HA -0.167 4.173 4.340 0.000 0.000 0.201 398 Q C 1.948 177.988 176.000 0.068 0.000 0.972 398 Q CA 1.653 57.466 55.803 0.016 0.000 0.847 398 Q CB -0.373 28.329 28.738 -0.059 0.000 0.903 398 Q HN 0.842 nan 8.270 nan 0.000 0.433 399 Y N 1.277 121.591 120.300 0.023 0.000 2.274 399 Y HA -0.205 4.345 4.550 0.000 0.000 0.290 399 Y C 2.230 178.158 175.900 0.047 0.000 1.145 399 Y CA 1.458 59.584 58.100 0.043 0.000 1.203 399 Y CB 0.043 38.542 38.460 0.065 0.000 0.984 399 Y HN -0.099 nan 8.280 nan 0.000 0.533 400 R N 0.673 121.186 120.500 0.021 0.000 2.189 400 R HA -0.142 4.198 4.340 0.000 0.000 0.223 400 R C 1.896 178.145 176.300 -0.085 0.000 1.092 400 R CA 1.680 57.748 56.100 -0.052 0.000 0.989 400 R CB -0.144 30.189 30.300 0.054 0.000 0.876 400 R HN 0.730 nan 8.270 nan 0.000 0.457 401 E N -1.010 119.161 120.200 -0.048 0.000 2.307 401 E HA 0.017 4.367 4.350 0.000 0.000 0.195 401 E C 0.349 176.961 176.600 0.021 0.000 0.975 401 E CA 0.169 56.561 56.400 -0.013 0.000 0.878 401 E CB 0.375 30.081 29.700 0.010 0.000 0.845 401 E HN 0.041 nan 8.360 nan 0.000 0.488 402 V N 1.756 121.661 119.914 -0.015 0.000 2.443 402 V HA 0.335 4.455 4.120 0.000 0.000 0.326 402 V C 0.666 176.748 176.094 -0.020 0.000 1.580 402 V CA 0.529 62.871 62.300 0.069 0.000 1.629 402 V CB 0.127 31.917 31.823 -0.056 0.000 1.471 402 V HN 0.411 nan 8.190 nan 0.000 0.532 403 A N 1.115 123.904 122.820 -0.052 0.000 2.324 403 A HA 0.567 4.887 4.320 0.000 0.000 0.220 403 A C 2.035 179.596 177.584 -0.038 0.000 1.209 403 A CA 0.841 52.790 52.037 -0.146 0.000 0.918 403 A CB 0.279 19.134 19.000 -0.243 0.000 0.959 403 A HN 0.643 nan 8.150 nan 0.000 0.507 404 A N -1.008 121.802 122.820 -0.016 0.000 2.123 404 A HA 0.278 4.598 4.320 0.000 0.000 0.214 404 A C 1.254 178.723 177.584 -0.191 0.000 1.152 404 A CA 0.541 52.499 52.037 -0.132 0.000 0.728 404 A CB -0.661 18.203 19.000 -0.228 0.000 0.814 404 A HN 0.401 nan 8.150 nan 0.000 0.464 405 F N 0.209 120.131 119.950 -0.046 0.000 2.811 405 F HA 0.358 4.885 4.527 0.000 0.000 0.301 405 F C 1.579 177.368 175.800 -0.018 0.000 1.151 405 F CA 0.088 58.071 58.000 -0.028 0.000 1.412 405 F CB -0.231 38.755 39.000 -0.024 0.000 1.113 405 F HN 0.217 nan 8.300 nan 0.000 0.579 411 D N 2.776 123.214 120.400 0.063 0.000 2.325 411 D HA 0.333 4.973 4.640 0.000 0.000 0.251 411 D C -0.181 176.164 176.300 0.075 0.000 1.196 411 D CA 0.124 54.160 54.000 0.061 0.000 0.866 411 D CB 0.710 41.545 40.800 0.057 0.000 1.101 411 D HN 0.324 nan 8.370 nan 0.000 0.476 412 L N 3.462 124.715 121.223 0.049 0.000 2.367 412 L HA 0.189 4.529 4.340 0.000 0.000 0.275 412 L C 1.142 178.028 176.870 0.028 0.000 1.129 412 L CA -0.227 54.636 54.840 0.038 0.000 0.839 412 L CB 0.460 42.534 42.059 0.025 0.000 1.133 412 L HN 0.418 nan 8.230 nan 0.000 0.453 413 D N 2.515 122.924 120.400 0.015 0.000 2.855 413 D HA 0.476 5.116 4.640 0.000 0.000 0.231 413 D C 0.416 176.707 176.300 -0.016 0.000 1.225 413 D CA -0.128 53.872 54.000 0.001 0.000 1.074 413 D CB 0.701 41.501 40.800 -0.001 0.000 1.235 413 D HN 0.366 nan 8.370 nan 0.000 0.635 414 A N 0.633 123.437 122.820 -0.028 0.000 2.618 414 A HA 0.103 4.423 4.320 0.000 0.000 0.199 414 A C 2.169 179.729 177.584 -0.040 0.000 1.666 414 A CA 1.655 53.674 52.037 -0.030 0.000 0.621 414 A CB -1.157 17.825 19.000 -0.029 0.000 1.172 414 A HN 0.470 nan 8.150 nan 0.000 0.489 415 S N 0.134 115.802 115.700 -0.054 0.000 2.368 415 S HA -0.133 4.337 4.470 0.000 0.000 0.225 415 S C 1.934 176.492 174.600 -0.070 0.000 1.030 415 S CA 1.901 60.067 58.200 -0.057 0.000 0.999 415 S CB -0.823 62.336 63.200 -0.068 0.000 0.844 415 S HN 0.886 nan 8.310 nan 0.000 0.459 416 T N 0.091 114.574 114.554 -0.118 0.000 3.163 416 T HA 0.139 4.489 4.350 0.000 0.000 0.260 416 T C 1.292 175.937 174.700 -0.093 0.000 1.156 416 T CA 0.610 62.616 62.100 -0.157 0.000 1.072 416 T CB -0.143 68.520 68.868 -0.343 0.000 0.937 416 T HN 0.365 nan 8.240 nan 0.000 0.528 417 K N 0.689 121.059 120.400 -0.050 0.000 2.098 417 K HA -0.059 4.261 4.320 0.000 0.000 0.203 417 K C 2.462 179.068 176.600 0.011 0.000 1.051 417 K CA 0.918 57.198 56.287 -0.012 0.000 0.957 417 K CB -0.102 32.394 32.500 -0.008 0.000 0.738 417 K HN 0.314 nan 8.250 nan 0.000 0.447 418 Q N 0.438 120.244 119.800 0.011 0.000 2.119 418 Q HA -0.069 4.271 4.340 0.000 0.000 0.201 418 Q C 1.528 177.569 176.000 0.068 0.000 0.972 418 Q CA 2.153 57.974 55.803 0.029 0.000 0.847 418 Q CB -0.194 28.563 28.738 0.031 0.000 0.903 418 Q HN 0.284 nan 8.270 nan 0.000 0.433 419 T N 0.801 115.405 114.554 0.083 0.000 2.821 419 T HA -0.105 4.245 4.350 0.000 0.000 0.267 419 T C 1.611 176.418 174.700 0.180 0.000 1.046 419 T CA 1.158 63.348 62.100 0.150 0.000 1.139 419 T CB -0.253 68.665 68.868 0.083 0.000 0.871 419 T HN 0.342 nan 8.240 nan 0.000 0.454 420 L N 1.023 122.331 121.223 0.142 0.000 2.217 420 L HA 0.000 4.340 4.340 0.000 0.000 0.211 420 L C 2.216 179.173 176.870 0.145 0.000 1.107 420 L CA 0.817 55.778 54.840 0.202 0.000 0.783 420 L CB -0.141 41.999 42.059 0.134 0.000 0.919 420 L HN 0.066 nan 8.230 nan 0.000 0.442 421 V N -0.251 119.706 119.914 0.072 0.000 2.453 421 V HA -0.138 3.982 4.120 0.000 0.000 0.247 421 V C 2.689 178.765 176.094 -0.029 0.000 1.048 421 V CA 1.258 63.569 62.300 0.017 0.000 1.049 421 V CB -0.635 31.187 31.823 -0.002 0.000 0.672 421 V HN 0.412 nan 8.190 nan 0.000 0.457 422 R N 0.544 121.031 120.500 -0.021 0.000 2.056 422 R HA -0.031 4.309 4.340 0.000 0.000 0.227 422 R C 2.517 178.708 176.300 -0.181 0.000 1.149 422 R CA 1.605 57.648 56.100 -0.095 0.000 0.937 422 R CB -1.428 28.836 30.300 -0.059 0.000 0.835 422 R HN 0.512 nan 8.270 nan 0.000 0.430 423 G N 1.252 109.920 108.800 -0.220 0.000 2.476 423 G HA2 -0.333 3.627 3.960 0.000 0.000 0.218 423 G HA3 -0.333 3.627 3.960 0.000 0.000 0.218 423 G C 1.393 175.755 174.900 -0.896 0.000 1.164 423 G CA 0.976 45.645 45.100 -0.719 0.000 0.768 423 G HN 0.466 nan 8.290 nan 0.000 0.560 424 E N 0.797 120.680 120.200 -0.528 0.000 2.130 424 E HA -0.214 4.136 4.350 0.000 0.000 0.196 424 E C 2.580 179.074 176.600 -0.177 0.000 0.998 424 E CA 1.298 57.569 56.400 -0.215 0.000 0.806 424 E CB -0.052 29.669 29.700 0.035 0.000 0.738 424 E HN 0.652 nan 8.360 nan 0.000 0.459 425 R N -0.380 120.011 120.500 -0.182 0.000 2.254 425 R HA 0.106 4.446 4.340 0.000 0.000 0.195 425 R C 2.350 178.549 176.300 -0.168 0.000 0.957 425 R CA 0.117 56.127 56.100 -0.151 0.000 1.024 425 R CB -0.175 30.037 30.300 -0.147 0.000 0.952 425 R HN 0.167 nan 8.270 nan 0.000 0.484 426 L N 1.244 122.339 121.223 -0.213 0.000 2.056 426 L HA -0.066 4.274 4.340 0.000 0.000 0.207 426 L C 1.871 178.654 176.870 -0.144 0.000 1.078 426 L CA 1.553 56.281 54.840 -0.186 0.000 0.749 426 L CB -0.469 41.464 42.059 -0.211 0.000 0.901 426 L HN 0.204 nan 8.230 nan 0.000 0.433 427 T N -1.625 112.827 114.554 -0.170 0.000 2.915 427 T HA -0.232 4.118 4.350 0.000 0.000 0.269 427 T C 1.761 176.424 174.700 -0.061 0.000 1.071 427 T CA 1.025 63.069 62.100 -0.094 0.000 1.132 427 T CB -0.100 68.726 68.868 -0.070 0.000 0.878 427 T HN 0.180 nan 8.240 nan 0.000 0.479 428 Q N 0.527 120.283 119.800 -0.073 0.000 2.230 428 Q HA 0.170 4.510 4.340 0.000 0.000 0.202 428 Q C 1.943 177.919 176.000 -0.041 0.000 0.963 428 Q CA 0.883 56.656 55.803 -0.050 0.000 0.866 428 Q CB -0.436 28.270 28.738 -0.054 0.000 0.931 428 Q HN 0.486 nan 8.270 nan 0.000 0.452 429 L N -0.609 120.581 121.223 -0.056 0.000 2.240 429 L HA 0.032 4.372 4.340 0.000 0.000 0.211 429 L C 1.445 178.302 176.870 -0.021 0.000 1.106 429 L CA 0.495 55.313 54.840 -0.036 0.000 0.793 429 L CB 0.094 42.117 42.059 -0.061 0.000 0.927 429 L HN 0.311 nan 8.230 nan 0.000 0.446 430 L N -0.536 120.669 121.223 -0.029 0.000 2.492 430 L HA -0.029 4.311 4.340 0.000 0.000 0.223 430 L C 0.885 177.747 176.870 -0.013 0.000 1.132 430 L CA 0.177 55.007 54.840 -0.017 0.000 0.850 430 L CB -0.226 41.824 42.059 -0.016 0.000 0.966 430 L HN 0.091 nan 8.230 nan 0.000 0.454 431 K N 1.399 121.788 120.400 -0.018 0.000 2.436 431 K HA 0.120 4.441 4.320 0.000 0.000 0.275 431 K C -0.047 176.544 176.600 -0.014 0.000 0.999 431 K CA 0.452 56.725 56.287 -0.023 0.000 0.980 431 K CB 0.558 33.041 32.500 -0.028 0.000 0.919 431 K HN 0.004 nan 8.250 nan 0.000 0.484 432 Q N 2.575 122.363 119.800 -0.020 0.000 2.364 432 Q HA 0.062 4.402 4.340 0.000 0.000 0.251 432 Q C -1.384 174.606 176.000 -0.017 0.000 0.927 432 Q CA -0.828 54.969 55.803 -0.011 0.000 0.924 432 Q CB 1.025 29.758 28.738 -0.009 0.000 1.419 432 Q HN 0.741 nan 8.270 nan 0.000 0.427 433 N N 2.683 121.381 118.700 -0.003 0.000 2.503 433 N HA 0.044 4.784 4.740 0.000 0.000 0.267 433 N C -0.394 175.117 175.510 0.002 0.000 1.214 433 N CA -0.271 52.783 53.050 0.007 0.000 0.959 433 N CB 0.822 39.329 38.487 0.034 0.000 1.142 433 N HN 0.689 nan 8.380 nan 0.000 0.455 434 Q N -0.269 119.527 119.800 -0.007 0.000 2.432 434 Q HA -0.034 4.306 4.340 0.000 0.000 0.264 434 Q C -0.551 175.441 176.000 -0.013 0.000 1.035 434 Q CA -0.026 55.687 55.803 -0.151 0.000 0.908 434 Q CB 0.075 28.640 28.738 -0.288 0.000 1.280 434 Q HN 0.626 nan 8.270 nan 0.000 0.455 435 Y N -0.495 119.794 120.300 -0.019 0.000 4.177 435 Y HA -0.259 4.291 4.550 0.000 0.000 0.227 435 Y C -0.403 175.481 175.900 -0.026 0.000 1.154 435 Y CA 0.816 58.889 58.100 -0.045 0.000 1.887 435 Y CB -2.014 36.463 38.460 0.027 0.000 1.594 435 Y HN 0.346 nan 8.280 nan 0.000 0.668 436 S N -0.348 115.387 115.700 0.058 0.000 2.386 436 S HA 0.397 4.867 4.470 0.000 0.000 0.152 436 S C -2.331 172.274 174.600 0.008 0.000 1.511 436 S CA -0.966 57.261 58.200 0.046 0.000 1.246 436 S CB 1.634 64.870 63.200 0.060 0.000 1.338 436 S HN -0.047 nan 8.310 nan 0.000 0.409 437 P HA 0.487 nan 4.420 nan 0.000 0.277 437 P C -0.827 176.468 177.300 -0.008 0.000 1.276 437 P CA -0.612 62.481 63.100 -0.012 0.000 0.788 437 P CB 0.662 32.352 31.700 -0.017 0.000 1.114 438 L N -0.598 120.623 121.223 -0.005 0.000 2.464 438 L HA 0.594 4.934 4.340 0.000 0.000 0.266 438 L C -0.096 176.770 176.870 -0.006 0.000 0.965 438 L CA -1.226 53.609 54.840 -0.007 0.000 0.833 438 L CB 2.000 44.061 42.059 0.004 0.000 1.296 438 L HN 0.360 nan 8.230 nan 0.000 0.405 439 A N 1.317 124.119 122.820 -0.029 0.000 2.386 439 A HA 0.352 4.672 4.320 0.000 0.000 0.248 439 A C 1.146 178.734 177.584 0.007 0.000 1.082 439 A CA -0.037 51.983 52.037 -0.030 0.000 0.789 439 A CB 0.409 19.358 19.000 -0.085 0.000 1.025 439 A HN 0.846 nan 8.150 nan 0.000 0.490 440 T N 0.680 115.259 114.554 0.041 0.000 2.849 440 T HA -0.164 4.187 4.350 0.000 0.000 0.270 440 T C 1.613 176.326 174.700 0.021 0.000 1.066 440 T CA 1.836 63.962 62.100 0.044 0.000 1.130 440 T CB -0.259 68.650 68.868 0.069 0.000 0.864 440 T HN 0.901 nan 8.240 nan 0.000 0.481 441 E N 1.773 121.976 120.200 0.005 0.000 2.152 441 E HA -0.159 4.191 4.350 0.000 0.000 0.192 441 E C 1.626 178.217 176.600 -0.016 0.000 0.983 441 E CA 1.080 57.472 56.400 -0.012 0.000 0.818 441 E CB -0.254 29.428 29.700 -0.029 0.000 0.758 441 E HN 0.585 nan 8.360 nan 0.000 0.467 442 E N 0.522 120.714 120.200 -0.014 0.000 2.385 442 E HA -0.032 4.318 4.350 0.000 0.000 0.194 442 E C 2.099 178.713 176.600 0.023 0.000 1.013 442 E CA 0.211 56.607 56.400 -0.007 0.000 0.866 442 E CB 0.153 29.842 29.700 -0.019 0.000 0.832 442 E HN 0.359 nan 8.360 nan 0.000 0.500 443 Q N 0.606 120.419 119.800 0.022 0.000 2.062 443 Q HA -0.099 4.241 4.340 0.000 0.000 0.196 443 Q C 2.624 178.648 176.000 0.041 0.000 0.967 443 Q CA 1.634 57.456 55.803 0.032 0.000 0.832 443 Q CB -0.087 28.667 28.738 0.028 0.000 0.899 443 Q HN 0.274 nan 8.270 nan 0.000 0.442 444 V N -0.842 119.092 119.914 0.034 0.000 2.380 444 V HA -0.165 3.955 4.120 0.000 0.000 0.251 444 V C -0.935 175.198 176.094 0.064 0.000 1.063 444 V CA 1.360 63.683 62.300 0.038 0.000 1.055 444 V CB -2.224 29.606 31.823 0.011 0.000 0.657 444 V HN 0.185 nan 8.190 nan 0.000 0.455 445 P HA -0.009 nan 4.420 nan 0.000 0.215 445 P C 2.126 179.506 177.300 0.134 0.000 1.157 445 P CA 1.226 64.419 63.100 0.155 0.000 0.859 445 P CB -0.160 31.697 31.700 0.261 0.000 0.786 446 L N -1.197 120.092 121.223 0.109 0.000 2.189 446 L HA -0.187 4.154 4.340 0.000 0.000 0.214 446 L C 2.281 179.154 176.870 0.006 0.000 1.097 446 L CA 1.385 56.253 54.840 0.046 0.000 0.764 446 L CB -0.711 41.386 42.059 0.064 0.000 0.900 446 L HN -0.037 nan 8.230 nan 0.000 0.436 447 I N -2.637 117.951 120.570 0.031 0.000 2.585 447 I HA -0.231 3.939 4.170 0.000 0.000 0.254 447 I C 2.399 178.522 176.117 0.009 0.000 1.129 447 I CA 0.631 61.936 61.300 0.009 0.000 1.455 447 I CB -0.333 37.684 38.000 0.028 0.000 1.111 447 I HN 0.099 nan 8.210 nan 0.000 0.433 448 Y N 2.305 122.558 120.300 -0.078 0.000 2.128 448 Y HA -0.296 4.254 4.550 0.000 0.000 0.284 448 Y C 2.627 178.440 175.900 -0.145 0.000 1.154 448 Y CA 1.499 59.538 58.100 -0.101 0.000 1.149 448 Y CB -0.368 38.027 38.460 -0.109 0.000 0.976 448 Y HN 0.118 nan 8.280 nan 0.000 0.505 449 A N -0.177 122.556 122.820 -0.145 0.000 1.908 449 A HA -0.152 4.168 4.320 0.000 0.000 0.218 449 A C 2.489 179.986 177.584 -0.145 0.000 1.181 449 A CA 1.894 53.803 52.037 -0.214 0.000 0.627 449 A CB -1.657 17.192 19.000 -0.251 0.000 0.818 449 A HN 0.586 nan 8.150 nan 0.000 0.445 450 G N -0.943 107.755 108.800 -0.169 0.000 2.394 450 G HA2 -0.001 3.959 3.960 0.000 0.000 0.215 450 G HA3 -0.001 3.959 3.960 0.000 0.000 0.215 450 G C 1.468 176.215 174.900 -0.256 0.000 1.165 450 G CA 1.244 46.226 45.100 -0.196 0.000 0.784 450 G HN 0.335 nan 8.290 nan 0.000 0.535 451 V N 1.170 120.924 119.914 -0.268 0.000 2.302 451 V HA -0.132 3.988 4.120 0.000 0.000 0.243 451 V C 2.477 178.358 176.094 -0.354 0.000 1.036 451 V CA 1.618 63.705 62.300 -0.355 0.000 1.020 451 V CB -0.720 30.950 31.823 -0.255 0.000 0.657 451 V HN 0.359 nan 8.190 nan 0.000 0.453 452 N N 0.613 119.111 118.700 -0.337 0.000 2.069 452 N HA -0.057 4.683 4.740 0.000 0.000 0.191 452 N C 1.146 176.520 175.510 -0.226 0.000 1.031 452 N CA 1.525 54.401 53.050 -0.290 0.000 0.852 452 N CB -0.034 38.198 38.487 -0.424 0.000 1.018 452 N HN 0.598 nan 8.380 nan 0.000 0.423 453 G N 0.095 108.793 108.800 -0.171 0.000 2.565 453 G HA2 -0.059 3.901 3.960 0.000 0.000 0.229 453 G HA3 -0.059 3.901 3.960 0.000 0.000 0.229 453 G C -0.640 174.045 174.900 -0.358 0.000 1.242 453 G CA -0.604 44.354 45.100 -0.237 0.000 1.055 453 G HN 0.409 nan 8.290 nan 0.000 0.604 454 H N -0.190 118.771 119.070 -0.183 0.000 3.241 454 H HA 0.402 4.958 4.556 0.000 0.000 0.260 454 H C 1.603 176.833 175.328 -0.163 0.000 1.084 454 H CA 0.087 56.057 56.048 -0.129 0.000 1.203 454 H CB 0.811 30.517 29.762 -0.094 0.000 1.524 454 H HN 0.339 nan 8.280 nan 0.000 0.521 455 L N 0.760 121.913 121.223 -0.118 0.000 3.255 455 L HA 0.205 4.545 4.340 0.000 0.000 0.293 455 L C 0.075 176.826 176.870 -0.198 0.000 1.302 455 L CA 0.031 54.733 54.840 -0.231 0.000 0.977 455 L CB 0.918 42.754 42.059 -0.372 0.000 1.390 455 L HN 0.074 nan 8.230 nan 0.000 0.588 456 D N 0.529 120.837 120.400 -0.154 0.000 2.347 456 D HA 0.042 4.682 4.640 0.000 0.000 0.213 456 D C 1.558 177.794 176.300 -0.107 0.000 0.985 456 D CA 0.645 54.566 54.000 -0.131 0.000 0.879 456 D CB 0.587 41.316 40.800 -0.119 0.000 0.919 456 D HN 0.307 nan 8.370 nan 0.000 0.526 457 G N 0.197 108.931 108.800 -0.109 0.000 4.864 457 G HA2 0.406 4.366 3.960 0.000 0.000 0.280 457 G HA3 0.406 4.366 3.960 0.000 0.000 0.280 457 G C -0.426 174.419 174.900 -0.092 0.000 1.239 457 G CA -0.248 44.801 45.100 -0.086 0.000 0.951 457 G HN -0.056 nan 8.290 nan 0.000 0.583 458 I N 1.259 121.756 120.570 -0.121 0.000 2.474 458 I HA 0.273 4.443 4.170 0.000 0.000 0.294 458 I C 0.348 176.405 176.117 -0.100 0.000 1.005 458 I CA -1.405 59.819 61.300 -0.127 0.000 1.113 458 I CB 2.000 39.866 38.000 -0.223 0.000 1.289 458 I HN 0.397 nan 8.210 nan 0.000 0.436 459 E N 5.514 125.675 120.200 -0.065 0.000 2.465 459 E HA 0.011 4.361 4.350 0.000 0.000 0.260 459 E C 0.108 176.679 176.600 -0.048 0.000 0.980 459 E CA -0.234 56.140 56.400 -0.044 0.000 0.927 459 E CB 0.516 30.203 29.700 -0.022 0.000 0.934 459 E HN 0.412 nan 8.360 nan 0.000 0.459 460 L N 3.209 124.407 121.223 -0.041 0.000 2.201 460 L HA -0.180 4.160 4.340 0.000 0.000 0.212 460 L C 2.460 179.319 176.870 -0.018 0.000 1.105 460 L CA 1.910 56.726 54.840 -0.041 0.000 0.775 460 L CB -0.769 41.271 42.059 -0.031 0.000 0.913 460 L HN 0.795 nan 8.230 nan 0.000 0.440 461 S N -0.771 114.926 115.700 -0.006 0.000 2.474 461 S HA -0.088 4.382 4.470 0.000 0.000 0.235 461 S C 1.894 176.508 174.600 0.024 0.000 0.997 461 S CA 0.594 58.799 58.200 0.008 0.000 0.949 461 S CB -0.254 62.951 63.200 0.009 0.000 0.766 461 S HN 0.462 nan 8.310 nan 0.000 0.517 462 R N -0.175 120.343 120.500 0.029 0.000 2.437 462 R HA 0.448 4.788 4.340 0.000 0.000 0.257 462 R C 1.229 177.598 176.300 0.114 0.000 0.927 462 R CA -0.024 56.118 56.100 0.070 0.000 1.078 462 R CB -0.001 30.345 30.300 0.075 0.000 1.161 462 R HN 0.452 nan 8.270 nan 0.000 0.529 463 I N -0.082 120.521 120.570 0.054 0.000 2.394 463 I HA -0.129 4.041 4.170 0.000 0.000 0.251 463 I C 2.313 178.513 176.117 0.137 0.000 1.136 463 I CA 1.393 62.728 61.300 0.058 0.000 1.425 463 I CB -0.358 37.609 38.000 -0.054 0.000 1.079 463 I HN 0.231 nan 8.210 nan 0.000 0.425 464 G N 1.419 110.272 108.800 0.088 0.000 2.422 464 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 464 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 464 G C 1.395 176.357 174.900 0.103 0.000 1.146 464 G CA 0.786 45.933 45.100 0.079 0.000 0.769 464 G HN 0.644 nan 8.290 nan 0.000 0.547 465 E N -0.749 119.526 120.200 0.124 0.000 2.474 465 E HA 0.163 4.514 4.350 0.000 0.000 0.195 465 E C 1.737 178.441 176.600 0.173 0.000 1.039 465 E CA -0.503 55.969 56.400 0.120 0.000 0.881 465 E CB -0.202 29.556 29.700 0.097 0.000 0.970 465 E HN 0.403 nan 8.360 nan 0.000 0.486 466 F N 2.760 122.756 119.950 0.077 0.000 2.234 466 F HA -0.009 4.518 4.527 0.000 0.000 0.296 466 F C 2.228 178.093 175.800 0.109 0.000 1.089 466 F CA 1.484 59.557 58.000 0.122 0.000 1.343 466 F CB 0.161 39.211 39.000 0.083 0.000 1.040 466 F HN -0.015 nan 8.300 nan 0.000 0.498 467 E N 0.247 120.564 120.200 0.194 0.000 2.058 467 E HA -0.250 4.100 4.350 0.000 0.000 0.194 467 E C 1.977 178.569 176.600 -0.014 0.000 0.997 467 E CA 1.877 58.329 56.400 0.086 0.000 0.801 467 E CB -0.305 29.461 29.700 0.111 0.000 0.746 467 E HN 0.496 nan 8.360 nan 0.000 0.450 468 S N -0.374 115.330 115.700 0.006 0.000 2.562 468 S HA -0.021 4.449 4.470 0.000 0.000 0.221 468 S C 1.893 176.476 174.600 -0.028 0.000 0.975 468 S CA 0.716 58.913 58.200 -0.006 0.000 0.918 468 S CB 0.278 63.490 63.200 0.020 0.000 0.772 468 S HN 0.329 nan 8.310 nan 0.000 0.531 469 S N 0.305 115.971 115.700 -0.056 0.000 2.499 469 S HA 0.235 4.705 4.470 0.000 0.000 0.225 469 S C 1.355 175.834 174.600 -0.201 0.000 1.050 469 S CA -0.271 57.922 58.200 -0.012 0.000 0.928 469 S CB -0.855 62.426 63.200 0.136 0.000 0.803 469 S HN 0.407 nan 8.310 nan 0.000 0.506 470 F N 2.512 122.013 119.950 -0.749 0.000 2.259 470 F HA 0.335 4.862 4.527 0.000 0.000 0.298 470 F C 1.696 177.163 175.800 -0.554 0.000 1.088 470 F CA 0.735 57.998 58.000 -1.228 0.000 1.358 470 F CB -0.215 37.929 39.000 -1.427 0.000 1.040 470 F HN 0.115 nan 8.300 nan 0.000 0.505 471 L N -0.403 120.649 121.223 -0.284 0.000 2.044 471 L HA -0.158 4.182 4.340 0.000 0.000 0.205 471 L C 2.638 179.387 176.870 -0.201 0.000 1.075 471 L CA 1.343 56.055 54.840 -0.213 0.000 0.747 471 L CB -0.961 41.045 42.059 -0.089 0.000 0.903 471 L HN 0.186 nan 8.230 nan 0.000 0.435 472 S N -1.138 114.481 115.700 -0.136 0.000 2.474 472 S HA -0.239 4.231 4.470 0.000 0.000 0.235 472 S C 1.879 176.435 174.600 -0.073 0.000 0.997 472 S CA 0.732 58.882 58.200 -0.083 0.000 0.949 472 S CB -0.700 62.483 63.200 -0.029 0.000 0.766 472 S HN 0.491 nan 8.310 nan 0.000 0.517 473 Y N 1.840 121.981 120.300 -0.265 0.000 2.395 473 Y HA 0.265 4.815 4.550 0.000 0.000 0.293 473 Y C 1.711 177.463 175.900 -0.248 0.000 1.123 473 Y CA 0.760 58.722 58.100 -0.229 0.000 1.227 473 Y CB -0.164 38.086 38.460 -0.351 0.000 1.012 473 Y HN 0.206 nan 8.280 nan 0.000 0.552 474 L N -0.197 120.788 121.223 -0.396 0.000 2.202 474 L HA -0.020 4.320 4.340 0.000 0.000 0.205 474 L C 1.780 178.505 176.870 -0.241 0.000 1.083 474 L CA 0.772 55.393 54.840 -0.366 0.000 0.790 474 L CB -0.271 41.566 42.059 -0.371 0.000 0.942 474 L HN -0.072 nan 8.230 nan 0.000 0.452 475 K N -0.769 119.513 120.400 -0.197 0.000 2.611 475 K HA -0.012 4.308 4.320 0.000 0.000 0.193 475 K C 1.502 178.019 176.600 -0.139 0.000 1.026 475 K CA 0.349 56.551 56.287 -0.142 0.000 1.063 475 K CB 0.182 32.615 32.500 -0.111 0.000 0.839 475 K HN 0.106 nan 8.250 nan 0.000 0.505 476 S N -0.514 115.076 115.700 -0.183 0.000 3.019 476 S HA 0.084 4.554 4.470 0.000 0.000 0.258 476 S C 1.010 175.476 174.600 -0.224 0.000 1.082 476 S CA -0.191 57.907 58.200 -0.169 0.000 0.836 476 S CB 0.191 63.309 63.200 -0.137 0.000 0.834 476 S HN 0.191 nan 8.310 nan 0.000 0.457 477 N N 1.054 119.549 118.700 -0.342 0.000 2.420 477 N HA 0.197 4.937 4.740 0.000 0.000 0.185 477 N C 0.478 175.698 175.510 -0.484 0.000 1.033 477 N CA 0.920 53.707 53.050 -0.439 0.000 0.879 477 N CB -0.287 37.819 38.487 -0.635 0.000 1.071 477 N HN 0.450 nan 8.380 nan 0.000 0.437 478 H N 0.112 118.987 119.070 -0.325 0.000 2.503 478 H HA 0.218 4.774 4.556 0.000 0.000 0.296 478 H C 0.554 175.773 175.328 -0.181 0.000 1.097 478 H CA -0.177 55.738 56.048 -0.222 0.000 1.055 478 H CB 0.199 29.830 29.762 -0.218 0.000 1.580 478 H HN 0.177 nan 8.280 nan 0.000 0.546 479 N N 1.602 120.238 118.700 -0.108 0.000 2.258 479 N HA -0.173 4.567 4.740 0.000 0.000 0.187 479 N C 1.492 176.962 175.510 -0.068 0.000 1.012 479 N CA 1.259 54.252 53.050 -0.094 0.000 0.870 479 N CB 0.255 38.681 38.487 -0.103 0.000 0.977 479 N HN 0.497 nan 8.380 nan 0.000 0.434 480 E N -0.407 119.757 120.200 -0.061 0.000 2.152 480 E HA -0.082 4.268 4.350 0.000 0.000 0.192 480 E C 1.884 178.465 176.600 -0.031 0.000 0.983 480 E CA 0.579 56.952 56.400 -0.045 0.000 0.818 480 E CB -0.056 29.616 29.700 -0.046 0.000 0.758 480 E HN 0.422 nan 8.360 nan 0.000 0.467 481 L N 0.733 121.946 121.223 -0.016 0.000 2.141 481 L HA -0.154 4.186 4.340 0.000 0.000 0.209 481 L C 2.312 179.158 176.870 -0.040 0.000 1.094 481 L CA 0.721 55.549 54.840 -0.020 0.000 0.763 481 L CB -0.214 41.841 42.059 -0.007 0.000 0.908 481 L HN 0.166 nan 8.230 nan 0.000 0.437 482 L N -1.109 120.086 121.223 -0.048 0.000 2.141 482 L HA -0.145 4.195 4.340 0.000 0.000 0.209 482 L C 2.473 179.316 176.870 -0.045 0.000 1.094 482 L CA 1.151 55.959 54.840 -0.054 0.000 0.763 482 L CB -0.850 41.168 42.059 -0.069 0.000 0.908 482 L HN 0.234 nan 8.230 nan 0.000 0.437 483 T N -1.126 113.402 114.554 -0.042 0.000 2.904 483 T HA -0.194 4.156 4.350 0.000 0.000 0.267 483 T C 1.759 176.444 174.700 -0.025 0.000 1.059 483 T CA 1.174 63.253 62.100 -0.036 0.000 1.137 483 T CB -0.036 68.810 68.868 -0.037 0.000 0.879 483 T HN 0.366 nan 8.240 nan 0.000 0.467 484 E N 0.459 120.644 120.200 -0.025 0.000 2.150 484 E HA -0.100 4.251 4.350 0.000 0.000 0.193 484 E C 1.872 178.463 176.600 -0.015 0.000 0.985 484 E CA 0.664 57.053 56.400 -0.019 0.000 0.814 484 E CB 0.013 29.701 29.700 -0.021 0.000 0.752 484 E HN 0.289 nan 8.360 nan 0.000 0.466 485 I N 1.060 121.617 120.570 -0.020 0.000 2.233 485 I HA -0.205 3.965 4.170 0.000 0.000 0.243 485 I C 2.609 178.727 176.117 0.002 0.000 1.093 485 I CA 1.179 62.471 61.300 -0.013 0.000 1.380 485 I CB -1.295 36.693 38.000 -0.021 0.000 1.067 485 I HN 0.202 nan 8.210 nan 0.000 0.413 486 R N 0.940 121.438 120.500 -0.003 0.000 2.127 486 R HA -0.191 4.149 4.340 0.000 0.000 0.238 486 R C 1.958 178.274 176.300 0.027 0.000 1.134 486 R CA 1.599 57.705 56.100 0.009 0.000 0.975 486 R CB 0.172 30.461 30.300 -0.019 0.000 0.865 486 R HN 0.490 nan 8.270 nan 0.000 0.447 487 E N -0.677 119.531 120.200 0.014 0.000 2.094 487 E HA -0.024 4.326 4.350 0.000 0.000 0.193 487 E C 1.909 178.521 176.600 0.019 0.000 0.950 487 E CA 0.482 56.893 56.400 0.018 0.000 0.842 487 E CB 0.214 29.918 29.700 0.006 0.000 0.816 487 E HN 0.194 nan 8.360 nan 0.000 0.465 488 K N -0.161 120.245 120.400 0.010 0.000 2.137 488 K HA 0.033 4.353 4.320 0.000 0.000 0.202 488 K C 1.103 177.710 176.600 0.011 0.000 1.052 488 K CA 0.690 56.982 56.287 0.008 0.000 0.961 488 K CB 0.252 32.753 32.500 0.001 0.000 0.741 488 K HN 0.275 nan 8.250 nan 0.000 0.452 489 G N 2.101 110.908 108.800 0.011 0.000 2.179 489 G HA2 -0.278 3.682 3.960 0.000 0.000 0.257 489 G HA3 -0.278 3.682 3.960 0.000 0.000 0.257 489 G C -0.270 174.634 174.900 0.007 0.000 1.010 489 G CA 0.745 45.853 45.100 0.014 0.000 0.736 489 G HN 0.387 nan 8.290 nan 0.000 0.513 490 E N -1.659 118.542 120.200 0.001 0.000 2.431 490 E HA 0.749 5.099 4.350 0.000 0.000 0.268 490 E C -0.582 176.011 176.600 -0.011 0.000 0.953 490 E CA -1.114 55.285 56.400 -0.001 0.000 0.810 490 E CB 1.538 31.239 29.700 0.002 0.000 1.369 490 E HN 0.105 nan 8.360 nan 0.000 0.440 491 L N 1.620 122.836 121.223 -0.012 0.000 2.442 491 L HA 0.320 4.660 4.340 0.000 0.000 0.261 491 L C -0.629 176.232 176.870 -0.015 0.000 1.000 491 L CA -0.393 54.432 54.840 -0.025 0.000 0.882 491 L CB 1.647 43.685 42.059 -0.035 0.000 1.207 491 L HN 0.364 nan 8.230 nan 0.000 0.443 492 S N 0.810 116.501 115.700 -0.015 0.000 2.624 492 S HA 0.184 4.654 4.470 0.000 0.000 0.263 492 S C 1.074 175.670 174.600 -0.007 0.000 1.287 492 S CA -0.686 57.510 58.200 -0.007 0.000 0.990 492 S CB 1.430 64.627 63.200 -0.006 0.000 0.950 492 S HN 0.460 nan 8.310 nan 0.000 0.561 493 K N 1.234 121.636 120.400 0.002 0.000 2.281 493 K HA -0.089 4.231 4.320 0.000 0.000 0.203 493 K C 1.543 178.146 176.600 0.004 0.000 1.046 493 K CA 1.263 57.555 56.287 0.008 0.000 0.938 493 K CB -0.136 32.372 32.500 0.014 0.000 0.737 493 K HN 0.452 nan 8.250 nan 0.000 0.458 494 E N -0.290 119.910 120.200 -0.001 0.000 2.299 494 E HA 0.039 4.389 4.350 0.000 0.000 0.193 494 E C 1.597 178.190 176.600 -0.012 0.000 0.998 494 E CA 0.353 56.752 56.400 -0.001 0.000 0.851 494 E CB 0.077 29.777 29.700 0.000 0.000 0.795 494 E HN 0.151 nan 8.360 nan 0.000 0.492 495 L N -0.034 121.174 121.223 -0.025 0.000 2.249 495 L HA 0.143 4.483 4.340 0.000 0.000 0.207 495 L C 1.903 178.723 176.870 -0.084 0.000 1.090 495 L CA 0.374 55.186 54.840 -0.047 0.000 0.802 495 L CB 0.133 42.163 42.059 -0.048 0.000 0.947 495 L HN 0.203 nan 8.230 nan 0.000 0.453 496 L N -0.654 120.524 121.223 -0.074 0.000 2.179 496 L HA -0.057 4.283 4.340 0.000 0.000 0.208 496 L C 2.507 179.341 176.870 -0.060 0.000 1.096 496 L CA 1.162 55.937 54.840 -0.110 0.000 0.779 496 L CB -0.123 41.911 42.059 -0.042 0.000 0.922 496 L HN 0.229 nan 8.230 nan 0.000 0.443 497 A N -1.441 121.372 122.820 -0.011 0.000 1.968 497 A HA -0.181 4.139 4.320 0.000 0.000 0.217 497 A C 2.442 180.035 177.584 0.014 0.000 1.169 497 A CA 1.600 53.651 52.037 0.022 0.000 0.638 497 A CB -0.630 18.386 19.000 0.028 0.000 0.812 497 A HN 0.463 nan 8.150 nan 0.000 0.446 498 S N -0.763 114.930 115.700 -0.012 0.000 2.368 498 S HA -0.111 4.359 4.470 0.000 0.000 0.224 498 S C 1.912 176.486 174.600 -0.044 0.000 1.029 498 S CA 1.446 59.642 58.200 -0.007 0.000 0.988 498 S CB -0.380 62.814 63.200 -0.009 0.000 0.838 498 S HN 0.441 nan 8.310 nan 0.000 0.462 499 L N 2.037 123.189 121.223 -0.118 0.000 2.056 499 L HA 0.107 4.447 4.340 0.000 0.000 0.207 499 L C 2.347 179.163 176.870 -0.090 0.000 1.078 499 L CA 1.959 56.680 54.840 -0.198 0.000 0.749 499 L CB -0.703 41.105 42.059 -0.417 0.000 0.901 499 L HN 0.256 nan 8.230 nan 0.000 0.433 500 K N -1.441 118.960 120.400 0.002 0.000 2.113 500 K HA -0.215 4.105 4.320 0.000 0.000 0.208 500 K C 2.275 179.026 176.600 0.251 0.000 1.047 500 K CA 1.763 58.214 56.287 0.273 0.000 0.928 500 K CB -0.209 32.462 32.500 0.285 0.000 0.716 500 K HN 0.375 nan 8.250 nan 0.000 0.446 501 S N -0.826 114.961 115.700 0.146 0.000 2.439 501 S HA 0.081 4.551 4.470 0.000 0.000 0.224 501 S C 1.792 176.474 174.600 0.138 0.000 1.029 501 S CA 0.684 58.971 58.200 0.146 0.000 0.946 501 S CB -0.066 63.203 63.200 0.114 0.000 0.797 501 S HN 0.455 nan 8.310 nan 0.000 0.504 502 A N 0.671 123.520 122.820 0.049 0.000 1.972 502 A HA -0.049 4.271 4.320 0.000 0.000 0.219 502 A C 2.247 179.891 177.584 0.100 0.000 1.169 502 A CA 2.197 54.183 52.037 -0.085 0.000 0.635 502 A CB -1.264 17.431 19.000 -0.510 0.000 0.810 502 A HN 0.559 nan 8.150 nan 0.000 0.446 503 T N -0.335 114.327 114.554 0.180 0.000 2.809 503 T HA -0.069 4.281 4.350 0.000 0.000 0.260 503 T C 1.686 176.617 174.700 0.384 0.000 1.039 503 T CA 1.310 63.613 62.100 0.339 0.000 1.141 503 T CB -0.231 68.697 68.868 0.101 0.000 0.869 503 T HN 0.625 nan 8.240 nan 0.000 0.437 504 E N 1.416 121.835 120.200 0.365 0.000 2.267 504 E HA -0.136 4.214 4.350 0.000 0.000 0.197 504 E C 2.412 179.149 176.600 0.229 0.000 0.998 504 E CA 1.256 57.844 56.400 0.313 0.000 0.830 504 E CB -0.102 29.739 29.700 0.236 0.000 0.751 504 E HN 0.583 nan 8.360 nan 0.000 0.491 505 S N 0.152 115.999 115.700 0.245 0.000 2.387 505 S HA -0.131 4.339 4.470 0.000 0.000 0.226 505 S C 1.729 176.420 174.600 0.153 0.000 1.026 505 S CA 0.420 58.743 58.200 0.205 0.000 0.972 505 S CB -0.303 63.062 63.200 0.276 0.000 0.814 505 S HN 0.294 nan 8.310 nan 0.000 0.477 506 F N 1.936 121.911 119.950 0.042 0.000 2.710 506 F HA 0.244 4.771 4.527 0.000 0.000 0.298 506 F C 1.878 177.728 175.800 0.084 0.000 1.137 506 F CA 0.033 57.991 58.000 -0.070 0.000 1.444 506 F CB 0.014 39.006 39.000 -0.014 0.000 1.111 506 F HN 0.021 nan 8.300 nan 0.000 0.580 507 V N 0.156 120.197 119.914 0.211 0.000 2.229 507 V HA -0.299 3.821 4.120 0.000 0.000 0.243 507 V C 2.657 178.754 176.094 0.006 0.000 1.042 507 V CA 1.948 64.327 62.300 0.132 0.000 1.000 507 V CB -1.435 30.460 31.823 0.120 0.000 0.637 507 V HN 0.367 nan 8.190 nan 0.000 0.446 508 A N -1.023 121.791 122.820 -0.010 0.000 1.845 508 A HA -0.153 4.167 4.320 0.000 0.000 0.215 508 A C 1.848 179.372 177.584 -0.101 0.000 1.195 508 A CA 2.346 54.359 52.037 -0.041 0.000 0.616 508 A CB -0.708 18.281 19.000 -0.018 0.000 0.832 508 A HN 0.500 nan 8.150 nan 0.000 0.443 509 T N 0.000 114.458 114.554 -0.159 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.954 62.100 -0.243 0.000 1.349 509 T CB 0.000 68.744 68.868 -0.206 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658