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 3f02_1_A DATA FIRST_RESID 24 DATA SEQUENCE EAIADLSVNM YNRLRATGED ENILFSPLSI ALAMGMMELG AQGSTQKEIR DATA SEQUENCE HSMGYDSXXX XEEFSFLKEF XXXXXXXXXX YVMKIANSLF VQNGFHVNEE DATA SEQUENCE FLQMMKKYFN AAVNHVDFSQ NVAVANYINK WVENNTNNLV KDLVSPRDFD DATA SEQUENCE AATYLALINA VYFKGNWKSQ FRPENTRTFS FTKDDESEVQ IPMMYQQGEF DATA SEQUENCE YYGEFSDGSX XXGGIYQVLE IPYEGDEISM MLVLSRQEVP LATLEPLVKA DATA SEQUENCE QLVEEWANSV KKQKVEVYLP RFTVEQEIDL KDVLKALGIT EIFIKDANLT DATA SEQUENCE GLSDNKEIFL SKAIHKSFLE VNEEGSEAAA VSGMIAISR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 E HA 0.000 nan 4.350 nan 0.000 0.291 24 E C 0.000 176.550 176.600 -0.084 0.000 1.382 24 E CA 0.000 56.347 56.400 -0.088 0.000 0.976 24 E CB 0.000 29.638 29.700 -0.103 0.000 0.812 25 A N 2.590 125.336 122.820 -0.123 0.000 1.870 25 A HA -0.239 4.082 4.320 0.001 0.000 0.219 25 A C 2.242 179.810 177.584 -0.027 0.000 1.224 25 A CA 2.119 54.113 52.037 -0.071 0.000 0.650 25 A CB -1.164 17.826 19.000 -0.018 0.000 0.836 25 A HN 0.582 nan 8.150 nan 0.000 0.454 26 I N -0.854 119.726 120.570 0.016 0.000 2.657 26 I HA -0.212 3.959 4.170 0.001 0.000 0.261 26 I C 2.348 178.489 176.117 0.039 0.000 1.212 26 I CA 1.388 62.736 61.300 0.079 0.000 1.453 26 I CB -0.336 37.770 38.000 0.176 0.000 1.092 26 I HN 0.377 nan 8.210 nan 0.000 0.452 27 A N 0.704 123.528 122.820 0.006 0.000 1.855 27 A HA -0.206 4.114 4.320 0.001 0.000 0.215 27 A C 1.923 179.498 177.584 -0.016 0.000 1.191 27 A CA 1.869 53.899 52.037 -0.012 0.000 0.613 27 A CB -0.703 18.278 19.000 -0.032 0.000 0.829 27 A HN 0.439 nan 8.150 nan 0.000 0.442 28 D N -0.462 119.921 120.400 -0.030 0.000 2.144 28 D HA -0.108 4.533 4.640 0.001 0.000 0.199 28 D C 1.849 178.143 176.300 -0.011 0.000 0.984 28 D CA 1.100 55.080 54.000 -0.034 0.000 0.834 28 D CB -0.323 40.441 40.800 -0.059 0.000 0.955 28 D HN 0.338 nan 8.370 nan 0.000 0.465 29 L N 0.814 122.035 121.223 -0.003 0.000 2.027 29 L HA -0.152 4.189 4.340 0.001 0.000 0.206 29 L C 2.190 179.120 176.870 0.099 0.000 1.074 29 L CA 1.493 56.346 54.840 0.022 0.000 0.745 29 L CB -0.430 41.644 42.059 0.025 0.000 0.898 29 L HN -0.130 nan 8.230 nan 0.000 0.433 30 S N -1.186 114.580 115.700 0.109 0.000 2.370 30 S HA -0.176 4.295 4.470 0.001 0.000 0.226 30 S C 1.941 176.696 174.600 0.258 0.000 1.033 30 S CA 1.488 59.799 58.200 0.184 0.000 1.011 30 S CB -0.564 62.664 63.200 0.046 0.000 0.852 30 S HN 0.332 nan 8.310 nan 0.000 0.457 31 V N 2.700 122.694 119.914 0.134 0.000 2.453 31 V HA -0.082 4.038 4.120 0.001 0.000 0.247 31 V C 2.111 178.296 176.094 0.151 0.000 1.048 31 V CA 1.285 63.666 62.300 0.135 0.000 1.049 31 V CB -0.666 31.178 31.823 0.034 0.000 0.672 31 V HN 0.410 nan 8.190 nan 0.000 0.457 32 N N 0.536 119.291 118.700 0.091 0.000 2.142 32 N HA -0.141 4.600 4.740 0.001 0.000 0.186 32 N C 1.909 177.444 175.510 0.042 0.000 1.023 32 N CA 2.014 55.091 53.050 0.045 0.000 0.852 32 N CB -0.358 38.133 38.487 0.006 0.000 0.998 32 N HN 0.636 nan 8.380 nan 0.000 0.424 33 M N -1.471 118.177 119.600 0.081 0.000 2.254 33 M HA -0.057 4.424 4.480 0.001 0.000 0.265 33 M C 2.017 178.232 176.300 -0.141 0.000 1.066 33 M CA 1.201 56.483 55.300 -0.031 0.000 1.123 33 M CB -0.596 32.018 32.600 0.022 0.000 1.388 33 M HN -0.031 nan 8.290 nan 0.000 0.425 34 Y N 2.403 122.680 120.300 -0.039 0.000 2.242 34 Y HA -0.148 4.403 4.550 0.001 0.000 0.291 34 Y C 1.961 177.834 175.900 -0.046 0.000 1.137 34 Y CA 1.961 60.052 58.100 -0.015 0.000 1.181 34 Y CB -0.408 38.179 38.460 0.210 0.000 0.989 34 Y HN 0.377 nan 8.280 nan 0.000 0.527 35 N N 0.213 118.919 118.700 0.010 0.000 2.188 35 N HA -0.162 4.579 4.740 0.001 0.000 0.184 35 N C 1.926 177.348 175.510 -0.146 0.000 1.018 35 N CA 1.283 54.293 53.050 -0.068 0.000 0.858 35 N CB -0.455 38.038 38.487 0.009 0.000 0.989 35 N HN 0.216 nan 8.380 nan 0.000 0.426 36 R N 1.316 121.734 120.500 -0.138 0.000 2.091 36 R HA 0.068 4.409 4.340 0.001 0.000 0.238 36 R C 1.972 178.153 176.300 -0.199 0.000 1.136 36 R CA 1.064 57.076 56.100 -0.147 0.000 0.959 36 R CB -0.764 29.456 30.300 -0.134 0.000 0.856 36 R HN 0.251 nan 8.270 nan 0.000 0.437 37 L N -0.298 120.751 121.223 -0.290 0.000 2.217 37 L HA -0.018 4.323 4.340 0.001 0.000 0.211 37 L C 2.393 179.081 176.870 -0.304 0.000 1.107 37 L CA 1.160 55.812 54.840 -0.313 0.000 0.783 37 L CB -0.265 41.544 42.059 -0.416 0.000 0.919 37 L HN 0.167 nan 8.230 nan 0.000 0.442 38 R N -0.043 120.234 120.500 -0.373 0.000 2.090 38 R HA -0.045 4.296 4.340 0.001 0.000 0.228 38 R C 2.445 178.643 176.300 -0.169 0.000 1.110 38 R CA 1.134 57.057 56.100 -0.295 0.000 0.973 38 R CB -0.367 29.751 30.300 -0.304 0.000 0.869 38 R HN 0.294 nan 8.270 nan 0.000 0.440 39 A N 0.680 123.409 122.820 -0.152 0.000 1.930 39 A HA -0.121 4.200 4.320 0.001 0.000 0.217 39 A C 2.054 179.583 177.584 -0.091 0.000 1.175 39 A CA 1.795 53.771 52.037 -0.102 0.000 0.627 39 A CB -0.447 18.499 19.000 -0.089 0.000 0.815 39 A HN 0.442 nan 8.150 nan 0.000 0.443 40 T N -4.556 109.934 114.554 -0.106 0.000 3.069 40 T HA 0.365 4.716 4.350 0.001 0.000 0.252 40 T C 0.983 175.635 174.700 -0.081 0.000 1.053 40 T CA 0.698 62.746 62.100 -0.087 0.000 0.964 40 T CB 0.422 69.236 68.868 -0.090 0.000 1.005 40 T HN 0.402 nan 8.240 nan 0.000 0.532 41 G N 1.021 109.765 108.800 -0.093 0.000 4.044 41 G HA2 0.304 4.264 3.960 0.001 0.000 0.297 41 G HA3 0.304 4.264 3.960 0.001 0.000 0.297 41 G C -0.277 174.587 174.900 -0.060 0.000 1.101 41 G CA -0.725 44.327 45.100 -0.079 0.000 0.884 41 G HN 0.539 nan 8.290 nan 0.000 0.538 42 E N 2.192 122.361 120.200 -0.051 0.000 3.127 42 E HA -0.156 4.195 4.350 0.001 0.000 0.299 42 E C 0.045 176.630 176.600 -0.025 0.000 0.757 42 E CA 0.574 56.953 56.400 -0.035 0.000 1.106 42 E CB -0.071 29.613 29.700 -0.027 0.000 0.714 42 E HN 0.487 nan 8.360 nan 0.000 0.498 43 D N 1.052 121.439 120.400 -0.021 0.000 3.039 43 D HA -0.202 4.438 4.640 0.001 0.000 0.222 43 D C -0.282 176.018 176.300 0.000 0.000 1.179 43 D CA 1.340 55.337 54.000 -0.005 0.000 0.880 43 D CB -0.648 40.153 40.800 0.000 0.000 1.115 43 D HN 0.559 nan 8.370 nan 0.000 0.416 44 E N 0.160 120.356 120.200 -0.008 0.000 2.232 44 E HA 0.349 4.699 4.350 0.001 0.000 0.265 44 E C 0.422 177.027 176.600 0.008 0.000 1.001 44 E CA -0.885 55.514 56.400 -0.001 0.000 0.870 44 E CB 0.732 30.429 29.700 -0.006 0.000 1.175 44 E HN -0.012 nan 8.360 nan 0.000 0.407 45 N N 0.750 119.459 118.700 0.015 0.000 2.416 45 N HA 0.140 4.881 4.740 0.001 0.000 0.246 45 N C -0.610 174.934 175.510 0.057 0.000 1.260 45 N CA 0.530 53.600 53.050 0.034 0.000 0.897 45 N CB 0.335 38.838 38.487 0.026 0.000 1.110 45 N HN 0.330 nan 8.380 nan 0.000 0.439 46 I N 1.054 121.689 120.570 0.109 0.000 2.582 46 I HA 0.402 4.573 4.170 0.001 0.000 0.292 46 I C -0.995 175.274 176.117 0.255 0.000 1.066 46 I CA -0.891 60.507 61.300 0.162 0.000 1.053 46 I CB 2.070 40.175 38.000 0.175 0.000 1.241 46 I HN 0.193 nan 8.210 nan 0.000 0.421 47 L N 8.109 129.507 121.223 0.293 0.000 2.543 47 L HA 0.682 5.023 4.340 0.001 0.000 0.265 47 L C -1.628 175.538 176.870 0.493 0.000 0.945 47 L CA -0.175 54.868 54.840 0.340 0.000 0.869 47 L CB 1.654 43.836 42.059 0.204 0.000 1.294 47 L HN 0.578 nan 8.230 nan 0.000 0.405 48 F N 1.359 121.438 119.950 0.216 0.000 2.779 48 F HA 0.777 5.305 4.527 0.001 0.000 0.316 48 F C -1.178 174.790 175.800 0.280 0.000 1.164 48 F CA -0.931 57.261 58.000 0.320 0.000 0.924 48 F CB 1.645 40.803 39.000 0.262 0.000 1.348 48 F HN 0.411 nan 8.300 nan 0.000 0.467 49 S N 2.247 118.117 115.700 0.284 0.000 2.601 49 S HA 0.436 4.907 4.470 0.001 0.000 0.312 49 S C -1.943 172.636 174.600 -0.035 0.000 1.107 49 S CA -1.731 56.475 58.200 0.009 0.000 1.129 49 S CB 1.032 64.344 63.200 0.188 0.000 0.982 49 S HN 0.512 nan 8.310 nan 0.000 0.469 50 P HA -0.084 nan 4.420 nan 0.000 0.218 50 P C 1.596 178.932 177.300 0.060 0.000 1.149 50 P CA 0.376 63.455 63.100 -0.035 0.000 0.817 50 P CB 0.096 31.746 31.700 -0.082 0.000 0.785 51 L N 0.375 121.613 121.223 0.024 0.000 1.994 51 L HA -0.117 4.224 4.340 0.001 0.000 0.208 51 L C 2.647 179.600 176.870 0.138 0.000 1.071 51 L CA 2.239 57.114 54.840 0.058 0.000 0.745 51 L CB -1.688 40.337 42.059 -0.057 0.000 0.892 51 L HN -0.067 nan 8.230 nan 0.000 0.431 52 S N -0.773 115.025 115.700 0.163 0.000 2.370 52 S HA -0.179 4.292 4.470 0.001 0.000 0.226 52 S C 2.074 176.825 174.600 0.251 0.000 1.033 52 S CA 1.723 60.068 58.200 0.242 0.000 1.011 52 S CB -0.491 62.910 63.200 0.335 0.000 0.852 52 S HN 0.494 nan 8.310 nan 0.000 0.457 53 I N 1.364 122.058 120.570 0.207 0.000 2.315 53 I HA -0.112 4.059 4.170 0.001 0.000 0.248 53 I C 2.786 179.008 176.117 0.176 0.000 1.117 53 I CA 1.011 62.402 61.300 0.151 0.000 1.404 53 I CB -0.488 37.541 38.000 0.047 0.000 1.071 53 I HN 0.398 nan 8.210 nan 0.000 0.419 54 A N 0.868 123.809 122.820 0.201 0.000 1.933 54 A HA -0.138 4.183 4.320 0.001 0.000 0.218 54 A C 2.272 180.045 177.584 0.315 0.000 1.175 54 A CA 1.301 53.492 52.037 0.258 0.000 0.628 54 A CB -0.734 18.447 19.000 0.302 0.000 0.814 54 A HN 0.368 nan 8.150 nan 0.000 0.444 55 L N -0.879 120.538 121.223 0.323 0.000 2.056 55 L HA -0.161 4.179 4.340 0.001 0.000 0.207 55 L C 3.087 180.056 176.870 0.166 0.000 1.078 55 L CA 0.987 56.057 54.840 0.384 0.000 0.749 55 L CB -0.532 41.766 42.059 0.398 0.000 0.901 55 L HN 0.431 nan 8.230 nan 0.000 0.433 56 A N -0.517 122.394 122.820 0.151 0.000 1.902 56 A HA -0.192 4.129 4.320 0.001 0.000 0.217 56 A C 2.270 179.895 177.584 0.069 0.000 1.181 56 A CA 1.461 53.549 52.037 0.085 0.000 0.623 56 A CB -0.339 18.750 19.000 0.147 0.000 0.818 56 A HN 0.268 nan 8.150 nan 0.000 0.443 57 M N -0.422 119.257 119.600 0.132 0.000 2.419 57 M HA -0.019 4.462 4.480 0.001 0.000 0.264 57 M C 2.163 178.582 176.300 0.198 0.000 1.082 57 M CA 1.017 56.403 55.300 0.143 0.000 1.119 57 M CB -1.481 31.205 32.600 0.143 0.000 1.398 57 M HN 0.487 nan 8.290 nan 0.000 0.453 58 G N 0.086 109.029 108.800 0.239 0.000 2.404 58 G HA2 -0.190 3.771 3.960 0.001 0.000 0.215 58 G HA3 -0.190 3.771 3.960 0.001 0.000 0.215 58 G C 1.603 176.677 174.900 0.290 0.000 1.174 58 G CA 0.382 45.743 45.100 0.435 0.000 0.780 58 G HN 0.350 nan 8.290 nan 0.000 0.537 59 M N -0.131 119.310 119.600 -0.264 0.000 2.117 59 M HA -0.012 4.469 4.480 0.001 0.000 0.262 59 M C 2.671 179.028 176.300 0.094 0.000 1.065 59 M CA 1.087 56.178 55.300 -0.347 0.000 1.114 59 M CB -0.317 31.992 32.600 -0.486 0.000 1.361 59 M HN 0.117 nan 8.290 nan 0.000 0.408 60 M N -0.006 119.660 119.600 0.110 0.000 2.159 60 M HA -0.191 4.290 4.480 0.001 0.000 0.263 60 M C 1.959 178.380 176.300 0.201 0.000 1.063 60 M CA 1.642 57.026 55.300 0.141 0.000 1.110 60 M CB -1.249 31.393 32.600 0.071 0.000 1.374 60 M HN 0.346 nan 8.290 nan 0.000 0.411 61 E N 0.232 120.594 120.200 0.270 0.000 2.150 61 E HA -0.153 4.198 4.350 0.001 0.000 0.193 61 E C 2.062 178.899 176.600 0.395 0.000 0.985 61 E CA 0.663 57.265 56.400 0.338 0.000 0.814 61 E CB 0.008 29.966 29.700 0.430 0.000 0.752 61 E HN 0.458 nan 8.360 nan 0.000 0.466 62 L N -0.237 121.229 121.223 0.404 0.000 2.265 62 L HA -0.097 4.243 4.340 0.001 0.000 0.215 62 L C 2.342 179.453 176.870 0.401 0.000 1.117 62 L CA 1.080 56.100 54.840 0.300 0.000 0.782 62 L CB -0.209 41.956 42.059 0.177 0.000 0.914 62 L HN 0.252 nan 8.230 nan 0.000 0.441 63 G N -0.809 108.196 108.800 0.343 0.000 2.662 63 G HA2 0.214 4.175 3.960 0.001 0.000 0.212 63 G HA3 0.214 4.175 3.960 0.001 0.000 0.212 63 G C 0.692 175.618 174.900 0.044 0.000 1.141 63 G CA 0.432 45.565 45.100 0.056 0.000 0.797 63 G HN 0.346 nan 8.290 nan 0.000 0.531 64 A N -0.340 122.543 122.820 0.104 0.000 2.304 64 A HA 0.723 5.043 4.320 0.001 0.000 0.271 64 A C 0.052 177.689 177.584 0.088 0.000 1.091 64 A CA -0.101 51.981 52.037 0.076 0.000 0.812 64 A CB 0.732 19.782 19.000 0.084 0.000 1.056 64 A HN 0.242 nan 8.150 nan 0.000 0.489 65 Q N -0.748 119.089 119.800 0.062 0.000 2.693 65 Q HA 0.504 4.845 4.340 0.001 0.000 0.306 65 Q C 0.788 176.817 176.000 0.049 0.000 0.969 65 Q CA -0.140 55.701 55.803 0.063 0.000 0.757 65 Q CB 1.212 29.982 28.738 0.052 0.000 1.494 65 Q HN 1.629 nan 8.270 nan 0.000 0.459 66 G N 1.291 110.119 108.800 0.046 0.000 2.698 66 G HA2 -0.436 3.525 3.960 0.001 0.000 0.346 66 G HA3 -0.436 3.525 3.960 0.001 0.000 0.346 66 G C 1.004 175.924 174.900 0.033 0.000 1.287 66 G CA 1.302 46.423 45.100 0.035 0.000 0.990 66 G HN 0.559 nan 8.290 nan 0.000 0.545 67 S N -0.781 114.931 115.700 0.021 0.000 2.423 67 S HA -0.047 4.423 4.470 0.001 0.000 0.231 67 S C 2.468 177.080 174.600 0.020 0.000 1.014 67 S CA 2.324 60.533 58.200 0.015 0.000 0.965 67 S CB -0.498 62.706 63.200 0.005 0.000 0.785 67 S HN 0.738 nan 8.310 nan 0.000 0.495 68 T N 0.966 115.533 114.554 0.022 0.000 2.896 68 T HA -0.005 4.346 4.350 0.001 0.000 0.263 68 T C 1.845 176.568 174.700 0.037 0.000 1.050 68 T CA 1.053 63.164 62.100 0.019 0.000 1.140 68 T CB -0.195 68.677 68.868 0.007 0.000 0.877 68 T HN 0.498 nan 8.240 nan 0.000 0.457 69 Q N 0.834 120.668 119.800 0.057 0.000 2.123 69 Q HA 0.001 4.342 4.340 0.001 0.000 0.199 69 Q C 2.284 178.339 176.000 0.091 0.000 0.966 69 Q CA 1.098 56.956 55.803 0.090 0.000 0.845 69 Q CB 0.013 28.817 28.738 0.111 0.000 0.907 69 Q HN 0.340 nan 8.270 nan 0.000 0.439 70 K N 0.273 120.715 120.400 0.069 0.000 2.155 70 K HA -0.176 4.145 4.320 0.001 0.000 0.203 70 K C 1.836 178.479 176.600 0.073 0.000 1.052 70 K CA 1.296 57.623 56.287 0.065 0.000 0.948 70 K CB 0.096 32.617 32.500 0.036 0.000 0.728 70 K HN 0.245 nan 8.250 nan 0.000 0.448 71 E N 0.428 120.664 120.200 0.060 0.000 2.112 71 E HA -0.101 4.250 4.350 0.001 0.000 0.190 71 E C 1.905 178.552 176.600 0.079 0.000 0.979 71 E CA 0.491 56.931 56.400 0.067 0.000 0.814 71 E CB 0.089 29.816 29.700 0.045 0.000 0.762 71 E HN 0.266 nan 8.360 nan 0.000 0.460 72 I N 0.585 121.191 120.570 0.061 0.000 2.142 72 I HA -0.255 3.916 4.170 0.001 0.000 0.240 72 I C 2.804 178.927 176.117 0.011 0.000 1.078 72 I CA 0.999 62.324 61.300 0.042 0.000 1.343 72 I CB -0.241 37.800 38.000 0.068 0.000 1.046 72 I HN 0.067 nan 8.210 nan 0.000 0.405 73 R N -0.364 120.179 120.500 0.073 0.000 2.091 73 R HA -0.262 4.078 4.340 0.001 0.000 0.238 73 R C 2.433 178.733 176.300 -0.001 0.000 1.136 73 R CA 1.978 58.130 56.100 0.088 0.000 0.959 73 R CB -0.418 29.975 30.300 0.155 0.000 0.856 73 R HN 0.414 nan 8.270 nan 0.000 0.437 74 H N -0.393 118.651 119.070 -0.045 0.000 2.357 74 H HA 0.059 4.616 4.556 0.001 0.000 0.301 74 H C 1.866 177.132 175.328 -0.102 0.000 1.082 74 H CA 2.014 58.029 56.048 -0.056 0.000 1.342 74 H CB 0.047 29.794 29.762 -0.025 0.000 1.389 74 H HN 0.013 nan 8.280 nan 0.000 0.511 75 S N -0.231 115.413 115.700 -0.094 0.000 2.447 75 S HA -0.057 4.414 4.470 0.001 0.000 0.233 75 S C 1.694 176.146 174.600 -0.247 0.000 1.006 75 S CA 1.042 59.156 58.200 -0.144 0.000 0.957 75 S CB 0.012 63.193 63.200 -0.031 0.000 0.773 75 S HN 0.426 nan 8.310 nan 0.000 0.507 76 M N -0.211 119.162 119.600 -0.377 0.000 2.509 76 M HA 0.240 4.721 4.480 0.001 0.000 0.250 76 M C 1.472 177.347 176.300 -0.707 0.000 1.132 76 M CA 0.580 55.513 55.300 -0.611 0.000 1.080 76 M CB -0.798 31.194 32.600 -1.013 0.000 1.408 76 M HN 0.410 nan 8.290 nan 0.000 0.484 77 G N 0.539 109.029 108.800 -0.517 0.000 2.165 77 G HA2 -0.259 3.701 3.960 0.001 0.000 0.226 77 G HA3 -0.259 3.701 3.960 0.001 0.000 0.226 77 G C 0.058 174.888 174.900 -0.117 0.000 1.035 77 G CA -0.171 44.743 45.100 -0.309 0.000 0.744 77 G HN 0.404 nan 8.290 nan 0.000 0.501 78 Y N 0.343 120.587 120.300 -0.092 0.000 2.457 78 Y HA 0.189 4.739 4.550 0.001 0.000 0.263 78 Y C 2.111 177.978 175.900 -0.055 0.000 1.164 78 Y CA -0.462 57.582 58.100 -0.094 0.000 1.274 78 Y CB -0.036 38.354 38.460 -0.116 0.000 1.097 78 Y HN 0.226 nan 8.280 nan 0.000 0.523 79 D N 0.388 120.856 120.400 0.113 0.000 2.133 79 D HA -0.140 4.501 4.640 0.001 0.000 0.192 79 D C 1.259 177.598 176.300 0.065 0.000 1.001 79 D CA 1.560 55.620 54.000 0.100 0.000 0.844 79 D CB -0.320 40.554 40.800 0.124 0.000 0.944 79 D HN 0.326 nan 8.370 nan 0.000 0.447 86 E N 1.782 121.644 120.200 -0.564 0.000 2.333 86 E HA -0.102 4.249 4.350 0.001 0.000 0.198 86 E C 1.717 177.927 176.600 -0.649 0.000 1.007 86 E CA 1.071 56.989 56.400 -0.802 0.000 0.845 86 E CB -0.329 28.354 29.700 -1.694 0.000 0.766 86 E HN 0.182 nan 8.360 nan 0.000 0.507 87 F N 2.500 122.177 119.950 -0.455 0.000 2.325 87 F HA -0.073 4.455 4.527 0.001 0.000 0.299 87 F C 2.746 178.097 175.800 -0.748 0.000 1.090 87 F CA 1.225 58.797 58.000 -0.713 0.000 1.392 87 F CB -0.481 37.819 39.000 -1.166 0.000 1.053 87 F HN 0.088 nan 8.300 nan 0.000 0.521 88 S N -0.432 115.068 115.700 -0.334 0.000 2.387 88 S HA -0.204 4.267 4.470 0.001 0.000 0.226 88 S C 1.953 176.432 174.600 -0.201 0.000 1.026 88 S CA 0.653 58.741 58.200 -0.186 0.000 0.972 88 S CB -1.334 61.819 63.200 -0.078 0.000 0.814 88 S HN 0.355 nan 8.310 nan 0.000 0.477 89 F N 2.288 122.042 119.950 -0.326 0.000 2.259 89 F HA 0.246 4.773 4.527 0.001 0.000 0.298 89 F C 1.794 177.270 175.800 -0.541 0.000 1.088 89 F CA 0.843 58.629 58.000 -0.356 0.000 1.358 89 F CB -0.236 38.606 39.000 -0.264 0.000 1.040 89 F HN 0.112 nan 8.300 nan 0.000 0.505 90 L N 0.251 121.262 121.223 -0.352 0.000 2.156 90 L HA -0.137 4.204 4.340 0.001 0.000 0.208 90 L C 2.496 179.069 176.870 -0.494 0.000 1.095 90 L CA 1.179 55.843 54.840 -0.294 0.000 0.770 90 L CB -0.605 41.466 42.059 0.020 0.000 0.914 90 L HN 0.098 nan 8.230 nan 0.000 0.439 91 K N 0.994 121.110 120.400 -0.474 0.000 2.155 91 K HA -0.138 4.183 4.320 0.001 0.000 0.203 91 K C 0.922 177.272 176.600 -0.418 0.000 1.052 91 K CA 0.882 56.971 56.287 -0.330 0.000 0.948 91 K CB 0.105 32.531 32.500 -0.123 0.000 0.728 91 K HN 0.298 nan 8.250 nan 0.000 0.448 92 E N 0.759 120.510 120.200 -0.749 0.000 2.902 92 E HA -0.062 4.288 4.350 0.001 0.000 0.231 92 E C -0.875 175.320 176.600 -0.675 0.000 1.422 92 E CA 0.142 56.119 56.400 -0.704 0.000 1.418 92 E CB -0.126 29.112 29.700 -0.770 0.000 1.323 92 E HN 0.090 nan 8.360 nan 0.000 0.428 105 V N 4.278 124.111 119.914 -0.135 0.000 2.495 105 V HA 0.631 4.751 4.120 0.001 0.000 0.298 105 V C -0.476 175.625 176.094 0.012 0.000 1.031 105 V CA -0.652 61.565 62.300 -0.140 0.000 0.871 105 V CB 1.624 33.435 31.823 -0.020 0.000 0.988 105 V HN 0.792 nan 8.190 nan 0.000 0.432 106 M N 5.574 125.179 119.600 0.009 0.000 2.149 106 M HA 0.515 4.996 4.480 0.001 0.000 0.273 106 M C -1.678 174.682 176.300 0.099 0.000 0.972 106 M CA -0.500 54.888 55.300 0.146 0.000 0.984 106 M CB 1.801 34.542 32.600 0.236 0.000 1.699 106 M HN 0.517 nan 8.290 nan 0.000 0.462 107 K N 5.832 126.326 120.400 0.156 0.000 2.378 107 K HA 0.689 5.010 4.320 0.001 0.000 0.252 107 K C -1.119 175.557 176.600 0.126 0.000 0.931 107 K CA -0.474 55.888 56.287 0.125 0.000 0.794 107 K CB 2.565 35.136 32.500 0.118 0.000 1.181 107 K HN 0.755 nan 8.250 nan 0.000 0.425 108 I N 1.719 122.356 120.570 0.110 0.000 2.447 108 I HA 0.486 4.657 4.170 0.001 0.000 0.287 108 I C -0.636 175.582 176.117 0.168 0.000 1.023 108 I CA -0.873 60.512 61.300 0.141 0.000 1.083 108 I CB 2.063 40.150 38.000 0.144 0.000 1.245 108 I HN 0.560 nan 8.210 nan 0.000 0.434 109 A N 6.065 129.014 122.820 0.215 0.000 2.414 109 A HA 0.780 5.101 4.320 0.001 0.000 0.306 109 A C -1.210 176.661 177.584 0.478 0.000 1.054 109 A CA -0.743 51.478 52.037 0.306 0.000 0.724 109 A CB 1.496 20.633 19.000 0.227 0.000 1.267 109 A HN 0.679 nan 8.150 nan 0.000 0.418 110 N N 0.794 119.733 118.700 0.398 0.000 2.269 110 N HA 0.726 5.467 4.740 0.001 0.000 0.304 110 N C -0.947 174.577 175.510 0.023 0.000 1.072 110 N CA -0.285 52.905 53.050 0.234 0.000 0.802 110 N CB 2.162 40.761 38.487 0.187 0.000 1.348 110 N HN 0.818 nan 8.380 nan 0.000 0.484 111 S N 0.140 115.648 115.700 -0.321 0.000 2.556 111 S HA 0.644 5.115 4.470 0.001 0.000 0.271 111 S C -1.307 172.976 174.600 -0.529 0.000 1.135 111 S CA -0.854 56.972 58.200 -0.623 0.000 0.858 111 S CB 1.946 64.312 63.200 -1.390 0.000 1.114 111 S HN 0.385 nan 8.310 nan 0.000 0.468 112 L N 1.736 122.597 121.223 -0.603 0.000 2.356 112 L HA 0.774 5.115 4.340 0.001 0.000 0.277 112 L C -2.031 174.475 176.870 -0.608 0.000 0.996 112 L CA -0.664 53.959 54.840 -0.363 0.000 0.822 112 L CB 0.911 42.871 42.059 -0.165 0.000 1.256 112 L HN 0.773 nan 8.230 nan 0.000 0.413 113 F N 5.101 125.036 119.950 -0.025 0.000 2.427 113 F HA 0.653 5.180 4.527 0.001 0.000 0.348 113 F C -0.191 175.702 175.800 0.155 0.000 1.125 113 F CA -0.863 57.138 58.000 0.002 0.000 0.989 113 F CB 1.828 40.841 39.000 0.023 0.000 1.165 113 F HN 0.110 nan 8.300 nan 0.000 0.442 114 V N 2.687 122.680 119.914 0.131 0.000 2.540 114 V HA 0.336 4.457 4.120 0.001 0.000 0.302 114 V C -0.226 176.013 176.094 0.242 0.000 1.035 114 V CA -1.032 61.417 62.300 0.247 0.000 0.873 114 V CB 1.691 33.549 31.823 0.060 0.000 0.992 114 V HN 0.640 nan 8.190 nan 0.000 0.428 115 Q N 4.198 124.224 119.800 0.378 0.000 2.315 115 Q HA 0.053 4.394 4.340 0.001 0.000 0.289 115 Q C 0.211 176.307 176.000 0.160 0.000 1.044 115 Q CA 0.509 56.419 55.803 0.178 0.000 0.920 115 Q CB 0.273 29.017 28.738 0.010 0.000 1.214 115 Q HN 0.689 nan 8.270 nan 0.000 0.392 116 N N 3.075 121.810 118.700 0.058 0.000 2.357 116 N HA 0.114 4.854 4.740 0.001 0.000 0.257 116 N C 0.708 176.218 175.510 0.000 0.000 1.250 116 N CA 1.347 54.421 53.050 0.041 0.000 0.862 116 N CB 0.405 38.876 38.487 -0.026 0.000 1.066 116 N HN 0.887 nan 8.380 nan 0.000 0.468 117 G N 1.244 110.034 108.800 -0.018 0.000 2.184 117 G HA2 -0.295 3.666 3.960 0.001 0.000 0.264 117 G HA3 -0.295 3.666 3.960 0.001 0.000 0.264 117 G C -0.050 174.658 174.900 -0.319 0.000 0.975 117 G CA -0.014 45.026 45.100 -0.098 0.000 0.642 117 G HN 0.562 nan 8.290 nan 0.000 0.536 118 F N 3.854 123.639 119.950 -0.275 0.000 2.445 118 F HA 0.573 5.101 4.527 0.001 0.000 0.359 118 F C 0.371 176.097 175.800 -0.123 0.000 1.101 118 F CA -1.884 55.963 58.000 -0.254 0.000 1.177 118 F CB 0.369 39.311 39.000 -0.098 0.000 1.110 118 F HN 0.192 nan 8.300 nan 0.000 0.522 119 H N 6.391 125.298 119.070 -0.271 0.000 2.820 119 H HA 0.306 4.863 4.556 0.001 0.000 0.278 119 H C -0.350 174.621 175.328 -0.594 0.000 1.142 119 H CA -0.462 55.397 56.048 -0.314 0.000 1.346 119 H CB 0.417 30.119 29.762 -0.100 0.000 1.438 119 H HN 0.313 nan 8.280 nan 0.000 0.473 120 V N 3.845 123.512 119.914 -0.412 0.000 2.432 120 V HA -0.010 4.110 4.120 0.001 0.000 0.275 120 V C 0.707 176.755 176.094 -0.076 0.000 1.043 120 V CA -0.965 61.132 62.300 -0.338 0.000 0.925 120 V CB 0.724 32.440 31.823 -0.178 0.000 0.985 120 V HN 0.676 nan 8.190 nan 0.000 0.466 121 N N 3.684 122.356 118.700 -0.046 0.000 2.132 121 N HA -0.089 4.652 4.740 0.001 0.000 0.280 121 N C 1.095 176.661 175.510 0.093 0.000 1.318 121 N CA 0.330 53.402 53.050 0.036 0.000 0.822 121 N CB 0.498 39.019 38.487 0.057 0.000 1.058 121 N HN 0.640 nan 8.380 nan 0.000 0.489 122 E N 1.510 121.739 120.200 0.048 0.000 2.171 122 E HA -0.231 4.120 4.350 0.001 0.000 0.197 122 E C 1.403 178.028 176.600 0.041 0.000 0.997 122 E CA 1.174 57.595 56.400 0.036 0.000 0.810 122 E CB 0.061 29.766 29.700 0.009 0.000 0.738 122 E HN 0.725 nan 8.360 nan 0.000 0.467 123 E N -0.552 119.684 120.200 0.060 0.000 2.107 123 E HA -0.176 4.175 4.350 0.001 0.000 0.191 123 E C 1.767 178.410 176.600 0.071 0.000 0.982 123 E CA 0.618 57.047 56.400 0.049 0.000 0.809 123 E CB -0.139 29.596 29.700 0.058 0.000 0.756 123 E HN 0.307 nan 8.360 nan 0.000 0.459 124 F N 1.396 121.335 119.950 -0.018 0.000 2.134 124 F HA -0.138 4.390 4.527 0.001 0.000 0.299 124 F C 1.875 177.668 175.800 -0.012 0.000 1.097 124 F CA 1.291 59.285 58.000 -0.010 0.000 1.264 124 F CB -0.184 38.814 39.000 -0.002 0.000 1.001 124 F HN 0.000 nan 8.300 nan 0.000 0.479 125 L N -0.223 121.004 121.223 0.006 0.000 2.093 125 L HA -0.219 4.122 4.340 0.001 0.000 0.208 125 L C 2.547 179.330 176.870 -0.145 0.000 1.085 125 L CA 1.355 56.141 54.840 -0.092 0.000 0.755 125 L CB -0.745 41.323 42.059 0.016 0.000 0.904 125 L HN 0.233 nan 8.230 nan 0.000 0.435 126 Q N -0.889 118.847 119.800 -0.107 0.000 2.046 126 Q HA -0.192 4.149 4.340 0.001 0.000 0.200 126 Q C 2.338 178.219 176.000 -0.198 0.000 0.975 126 Q CA 1.229 56.956 55.803 -0.127 0.000 0.836 126 Q CB -0.078 28.602 28.738 -0.096 0.000 0.896 126 Q HN 0.397 nan 8.270 nan 0.000 0.428 127 M N -0.185 119.290 119.600 -0.209 0.000 2.159 127 M HA -0.143 4.338 4.480 0.001 0.000 0.263 127 M C 2.159 178.347 176.300 -0.187 0.000 1.063 127 M CA 1.299 56.446 55.300 -0.255 0.000 1.110 127 M CB -0.766 31.745 32.600 -0.148 0.000 1.374 127 M HN 0.266 nan 8.290 nan 0.000 0.411 128 M N 0.193 119.650 119.600 -0.238 0.000 2.213 128 M HA -0.153 4.327 4.480 0.001 0.000 0.263 128 M C 2.019 178.300 176.300 -0.031 0.000 1.062 128 M CA 1.741 56.948 55.300 -0.155 0.000 1.105 128 M CB -0.389 31.919 32.600 -0.487 0.000 1.385 128 M HN 0.134 nan 8.290 nan 0.000 0.417 129 K N -0.579 119.752 120.400 -0.115 0.000 2.116 129 K HA -0.154 4.167 4.320 0.001 0.000 0.203 129 K C 2.144 178.670 176.600 -0.125 0.000 1.052 129 K CA 1.041 57.275 56.287 -0.088 0.000 0.952 129 K CB -0.103 32.340 32.500 -0.096 0.000 0.729 129 K HN 0.325 nan 8.250 nan 0.000 0.446 130 K N -0.355 119.896 120.400 -0.248 0.000 2.026 130 K HA -0.166 4.154 4.320 0.001 0.000 0.208 130 K C 1.551 177.931 176.600 -0.367 0.000 1.048 130 K CA 1.508 57.556 56.287 -0.398 0.000 0.929 130 K CB -0.046 32.026 32.500 -0.715 0.000 0.713 130 K HN 0.134 nan 8.250 nan 0.000 0.439 131 Y N -1.552 118.615 120.300 -0.221 0.000 2.509 131 Y HA 0.122 4.673 4.550 0.001 0.000 0.270 131 Y C 1.062 176.540 175.900 -0.703 0.000 1.103 131 Y CA 0.278 58.092 58.100 -0.477 0.000 1.278 131 Y CB 0.468 38.561 38.460 -0.611 0.000 1.087 131 Y HN 0.009 nan 8.280 nan 0.000 0.542 132 F N -1.487 118.529 119.950 0.109 0.000 2.817 132 F HA 0.216 4.744 4.527 0.001 0.000 0.333 132 F C 0.707 176.538 175.800 0.052 0.000 1.085 132 F CA -0.617 57.440 58.000 0.095 0.000 1.170 132 F CB -0.112 38.936 39.000 0.081 0.000 1.066 132 F HN -0.193 nan 8.300 nan 0.000 0.564 133 N N 1.936 120.709 118.700 0.122 0.000 2.707 133 N HA -0.235 4.506 4.740 0.001 0.000 0.253 133 N C -0.151 175.411 175.510 0.088 0.000 0.998 133 N CA 0.566 53.658 53.050 0.069 0.000 0.751 133 N CB -0.776 37.747 38.487 0.061 0.000 0.920 133 N HN 0.326 nan 8.380 nan 0.000 0.539 134 A N 0.182 123.049 122.820 0.078 0.000 2.488 134 A HA 0.599 4.920 4.320 0.001 0.000 0.249 134 A C 0.938 178.497 177.584 -0.042 0.000 1.083 134 A CA 0.173 52.221 52.037 0.019 0.000 0.768 134 A CB 0.214 19.192 19.000 -0.037 0.000 1.017 134 A HN 0.835 nan 8.150 nan 0.000 0.496 135 A N 2.492 125.275 122.820 -0.061 0.000 2.477 135 A HA 0.500 4.821 4.320 0.001 0.000 0.246 135 A C 0.001 177.433 177.584 -0.253 0.000 1.078 135 A CA -0.068 51.900 52.037 -0.115 0.000 0.770 135 A CB 0.021 18.979 19.000 -0.070 0.000 1.011 135 A HN 1.144 nan 8.150 nan 0.000 0.494 136 V N 4.739 124.529 119.914 -0.208 0.000 2.409 136 V HA 0.371 4.492 4.120 0.001 0.000 0.291 136 V C -0.387 175.539 176.094 -0.279 0.000 1.020 136 V CA -0.855 61.284 62.300 -0.268 0.000 0.848 136 V CB 1.410 33.133 31.823 -0.166 0.000 0.990 136 V HN 0.936 nan 8.190 nan 0.000 0.430 137 N N 2.673 121.121 118.700 -0.421 0.000 2.258 137 N HA 0.479 5.220 4.740 0.001 0.000 0.299 137 N C -1.209 174.101 175.510 -0.334 0.000 1.047 137 N CA -0.695 52.198 53.050 -0.261 0.000 0.814 137 N CB 2.184 40.577 38.487 -0.157 0.000 1.413 137 N HN 0.648 nan 8.380 nan 0.000 0.478 138 H N 0.641 119.697 119.070 -0.023 0.000 2.467 138 H HA 0.441 4.998 4.556 0.001 0.000 0.326 138 H C 0.009 175.261 175.328 -0.126 0.000 1.094 138 H CA -0.537 55.483 56.048 -0.047 0.000 1.253 138 H CB 1.992 31.732 29.762 -0.038 0.000 1.439 138 H HN 0.356 nan 8.280 nan 0.000 0.479 139 V N 0.209 120.045 119.914 -0.131 0.000 3.130 139 V HA 0.351 4.471 4.120 0.001 0.000 0.310 139 V C -0.542 175.330 176.094 -0.370 0.000 1.158 139 V CA -1.089 61.003 62.300 -0.347 0.000 1.029 139 V CB 2.663 34.141 31.823 -0.574 0.000 1.057 139 V HN 0.579 nan 8.190 nan 0.000 0.436 140 D N 1.157 121.348 120.400 -0.349 0.000 2.454 140 D HA 0.427 5.067 4.640 0.001 0.000 0.225 140 D C 0.327 176.475 176.300 -0.253 0.000 1.081 140 D CA -0.527 53.331 54.000 -0.238 0.000 0.864 140 D CB 0.745 41.461 40.800 -0.139 0.000 1.040 140 D HN 0.453 nan 8.370 nan 0.000 0.517 141 F N 1.411 121.298 119.950 -0.105 0.000 2.451 141 F HA -0.083 4.445 4.527 0.001 0.000 0.299 141 F C 2.481 178.266 175.800 -0.025 0.000 1.101 141 F CA 0.483 58.419 58.000 -0.106 0.000 1.436 141 F CB -0.072 38.891 39.000 -0.061 0.000 1.074 141 F HN 0.315 nan 8.300 nan 0.000 0.553 142 S N -1.060 114.705 115.700 0.109 0.000 2.428 142 S HA -0.113 4.358 4.470 0.001 0.000 0.230 142 S C 1.087 175.719 174.600 0.054 0.000 1.014 142 S CA 0.507 58.755 58.200 0.081 0.000 0.957 142 S CB -0.296 62.927 63.200 0.039 0.000 0.784 142 S HN 0.396 nan 8.310 nan 0.000 0.499 143 Q N 2.575 122.380 119.800 0.008 0.000 3.026 143 Q HA 0.123 4.464 4.340 0.001 0.000 0.258 143 Q C 0.842 176.849 176.000 0.011 0.000 1.388 143 Q CA -0.472 55.325 55.803 -0.010 0.000 1.000 143 Q CB -0.017 28.687 28.738 -0.057 0.000 1.634 143 Q HN 0.469 nan 8.270 nan 0.000 0.571 144 N N -0.226 118.521 118.700 0.079 0.000 2.244 144 N HA -0.132 4.608 4.740 0.001 0.000 0.183 144 N C 1.178 176.782 175.510 0.157 0.000 1.016 144 N CA 1.033 54.184 53.050 0.168 0.000 0.866 144 N CB -0.171 38.450 38.487 0.224 0.000 0.980 144 N HN 0.213 nan 8.380 nan 0.000 0.430 145 V N 1.495 121.463 119.914 0.089 0.000 2.323 145 V HA -0.074 4.047 4.120 0.001 0.000 0.244 145 V C 2.909 179.033 176.094 0.050 0.000 1.041 145 V CA 1.671 64.016 62.300 0.075 0.000 1.025 145 V CB -1.136 30.717 31.823 0.049 0.000 0.656 145 V HN 0.480 nan 8.190 nan 0.000 0.451 146 A N -0.365 122.462 122.820 0.012 0.000 1.883 146 A HA -0.199 4.122 4.320 0.001 0.000 0.217 146 A C 2.473 180.034 177.584 -0.038 0.000 1.186 146 A CA 2.260 54.285 52.037 -0.020 0.000 0.624 146 A CB -0.802 18.160 19.000 -0.062 0.000 0.822 146 A HN 0.334 nan 8.150 nan 0.000 0.444 147 V N -0.463 119.390 119.914 -0.101 0.000 2.379 147 V HA -0.057 4.063 4.120 0.001 0.000 0.245 147 V C 2.789 178.770 176.094 -0.189 0.000 1.044 147 V CA 2.036 64.192 62.300 -0.239 0.000 1.036 147 V CB -0.667 30.859 31.823 -0.495 0.000 0.664 147 V HN 0.605 nan 8.190 nan 0.000 0.453 148 A N 0.350 123.163 122.820 -0.012 0.000 1.883 148 A HA -0.249 4.072 4.320 0.001 0.000 0.217 148 A C 1.987 179.623 177.584 0.087 0.000 1.186 148 A CA 2.189 54.333 52.037 0.179 0.000 0.624 148 A CB -0.847 18.335 19.000 0.304 0.000 0.822 148 A HN 0.641 nan 8.150 nan 0.000 0.444 149 N N -1.558 117.187 118.700 0.074 0.000 2.166 149 N HA -0.162 4.578 4.740 0.001 0.000 0.186 149 N C 1.555 177.118 175.510 0.088 0.000 1.019 149 N CA 1.686 54.779 53.050 0.073 0.000 0.856 149 N CB -0.587 37.941 38.487 0.068 0.000 0.993 149 N HN 0.672 nan 8.380 nan 0.000 0.426 150 Y N 1.304 121.567 120.300 -0.062 0.000 2.184 150 Y HA 0.054 4.604 4.550 0.001 0.000 0.290 150 Y C 2.154 178.019 175.900 -0.059 0.000 1.129 150 Y CA 1.095 59.166 58.100 -0.049 0.000 1.144 150 Y CB -0.352 38.052 38.460 -0.092 0.000 0.995 150 Y HN -0.054 nan 8.280 nan 0.000 0.513 151 I N 0.159 120.586 120.570 -0.238 0.000 2.252 151 I HA -0.318 3.853 4.170 0.001 0.000 0.245 151 I C 1.930 178.016 176.117 -0.053 0.000 1.102 151 I CA 1.260 62.306 61.300 -0.424 0.000 1.385 151 I CB -0.475 37.197 38.000 -0.547 0.000 1.064 151 I HN 0.247 nan 8.210 nan 0.000 0.414 152 N N 0.967 119.671 118.700 0.007 0.000 2.166 152 N HA -0.213 4.528 4.740 0.001 0.000 0.186 152 N C 1.804 177.340 175.510 0.044 0.000 1.019 152 N CA 1.157 54.241 53.050 0.055 0.000 0.856 152 N CB -0.257 38.262 38.487 0.053 0.000 0.993 152 N HN 0.209 nan 8.380 nan 0.000 0.426 153 K N 0.363 120.777 120.400 0.022 0.000 2.057 153 K HA -0.129 4.191 4.320 0.001 0.000 0.207 153 K C 1.881 178.482 176.600 0.002 0.000 1.049 153 K CA 0.922 57.209 56.287 -0.000 0.000 0.931 153 K CB -0.646 31.855 32.500 0.001 0.000 0.714 153 K HN 0.264 nan 8.250 nan 0.000 0.440 154 W N 0.075 121.291 121.300 -0.140 0.000 2.358 154 W HA -0.188 4.473 4.660 0.001 0.000 0.303 154 W C 1.536 178.031 176.519 -0.040 0.000 1.208 154 W CA 1.612 58.906 57.345 -0.085 0.000 1.274 154 W CB -0.211 29.247 29.460 -0.003 0.000 1.138 154 W HN -0.106 nan 8.180 nan 0.000 0.515 155 V N 0.969 121.019 119.914 0.227 0.000 2.343 155 V HA -0.307 3.814 4.120 0.001 0.000 0.247 155 V C 2.154 178.155 176.094 -0.156 0.000 1.051 155 V CA 2.406 64.757 62.300 0.085 0.000 1.036 155 V CB -0.906 31.035 31.823 0.196 0.000 0.654 155 V HN 0.209 nan 8.190 nan 0.000 0.451 156 E N 0.255 120.384 120.200 -0.118 0.000 2.077 156 E HA -0.220 4.131 4.350 0.001 0.000 0.193 156 E C 1.967 178.418 176.600 -0.249 0.000 0.989 156 E CA 1.340 57.647 56.400 -0.155 0.000 0.800 156 E CB -0.249 29.388 29.700 -0.106 0.000 0.746 156 E HN 0.541 nan 8.360 nan 0.000 0.452 157 N N 0.738 119.261 118.700 -0.296 0.000 2.453 157 N HA -0.088 4.653 4.740 0.001 0.000 0.183 157 N C 0.397 175.628 175.510 -0.465 0.000 1.041 157 N CA 0.851 53.692 53.050 -0.349 0.000 0.900 157 N CB -0.027 38.261 38.487 -0.331 0.000 0.961 157 N HN 0.173 nan 8.380 nan 0.000 0.443 158 N N -1.978 116.384 118.700 -0.563 0.000 2.197 158 N HA 0.074 4.815 4.740 0.001 0.000 0.228 158 N C 0.003 175.264 175.510 -0.415 0.000 1.212 158 N CA 0.098 52.799 53.050 -0.581 0.000 0.883 158 N CB 0.990 38.913 38.487 -0.941 0.000 1.107 158 N HN 0.117 nan 8.380 nan 0.000 0.519 159 T N -3.440 110.877 114.554 -0.394 0.000 3.332 159 T HA 0.179 4.530 4.350 0.001 0.000 0.304 159 T C 0.340 174.813 174.700 -0.378 0.000 0.971 159 T CA -0.419 61.520 62.100 -0.269 0.000 0.954 159 T CB -0.236 68.581 68.868 -0.085 0.000 1.175 159 T HN -0.011 nan 8.240 nan 0.000 0.519 160 N N 2.656 121.025 118.700 -0.551 0.000 2.721 160 N HA -0.261 4.479 4.740 0.001 0.000 0.249 160 N C 0.171 175.530 175.510 -0.251 0.000 1.072 160 N CA 1.233 54.035 53.050 -0.414 0.000 0.710 160 N CB -2.127 36.116 38.487 -0.407 0.000 0.993 160 N HN 0.796 nan 8.380 nan 0.000 0.547 161 N N -1.589 116.973 118.700 -0.230 0.000 2.725 161 N HA -0.228 4.513 4.740 0.001 0.000 0.249 161 N C 0.427 175.811 175.510 -0.209 0.000 1.103 161 N CA 1.368 54.309 53.050 -0.182 0.000 0.707 161 N CB -1.202 37.194 38.487 -0.151 0.000 1.043 161 N HN 0.604 nan 8.380 nan 0.000 0.553 162 L N -1.652 119.431 121.223 -0.233 0.000 2.416 162 L HA 0.211 4.551 4.340 0.001 0.000 0.216 162 L C 0.232 176.944 176.870 -0.262 0.000 1.098 162 L CA 0.395 54.998 54.840 -0.395 0.000 0.840 162 L CB 0.306 42.108 42.059 -0.428 0.000 0.981 162 L HN 0.049 nan 8.230 nan 0.000 0.462 163 V N 0.924 120.770 119.914 -0.113 0.000 2.378 163 V HA 0.297 4.418 4.120 0.001 0.000 0.288 163 V C -0.296 175.783 176.094 -0.024 0.000 1.016 163 V CA -0.727 61.556 62.300 -0.028 0.000 0.840 163 V CB 1.599 33.436 31.823 0.023 0.000 0.994 163 V HN 0.116 nan 8.190 nan 0.000 0.431 164 K N 2.511 122.905 120.400 -0.010 0.000 2.267 164 K HA 0.492 4.813 4.320 0.001 0.000 0.246 164 K C -0.412 176.203 176.600 0.024 0.000 0.954 164 K CA -0.855 55.432 56.287 -0.000 0.000 0.824 164 K CB 1.353 33.845 32.500 -0.013 0.000 1.167 164 K HN 0.651 nan 8.250 nan 0.000 0.431 165 D N 1.726 122.144 120.400 0.030 0.000 2.708 165 D HA -0.192 4.449 4.640 0.001 0.000 0.236 165 D C 0.735 177.063 176.300 0.045 0.000 1.146 165 D CA 0.427 54.450 54.000 0.038 0.000 0.662 165 D CB -0.746 40.072 40.800 0.029 0.000 1.059 165 D HN 0.455 nan 8.370 nan 0.000 0.428 166 L N -0.301 120.958 121.223 0.059 0.000 2.043 166 L HA -0.164 4.177 4.340 0.001 0.000 0.212 166 L C 1.197 178.105 176.870 0.062 0.000 1.075 166 L CA 1.848 56.730 54.840 0.070 0.000 0.752 166 L CB 0.146 42.265 42.059 0.100 0.000 0.891 166 L HN 0.253 nan 8.230 nan 0.000 0.432 167 V N -3.884 116.077 119.914 0.079 0.000 3.158 167 V HA 0.862 4.982 4.120 0.001 0.000 0.315 167 V C -0.339 175.794 176.094 0.065 0.000 1.148 167 V CA -0.095 62.244 62.300 0.065 0.000 1.042 167 V CB 1.407 33.352 31.823 0.203 0.000 1.101 167 V HN 0.286 nan 8.190 nan 0.000 0.448 168 S N -0.054 115.652 115.700 0.010 0.000 2.651 168 S HA 0.700 5.171 4.470 0.001 0.000 0.279 168 S C -2.607 172.030 174.600 0.061 0.000 1.148 168 S CA -1.156 57.067 58.200 0.037 0.000 0.837 168 S CB 1.710 64.905 63.200 -0.008 0.000 1.138 168 S HN 0.539 nan 8.310 nan 0.000 0.478 169 P HA 0.084 nan 4.420 nan 0.000 0.225 169 P C 0.859 178.192 177.300 0.056 0.000 1.148 169 P CA 0.721 63.921 63.100 0.167 0.000 0.779 169 P CB -0.039 31.732 31.700 0.117 0.000 0.780 170 R N -0.591 119.891 120.500 -0.031 0.000 2.316 170 R HA -0.035 4.306 4.340 0.001 0.000 0.202 170 R C 0.847 177.039 176.300 -0.180 0.000 1.029 170 R CA 0.726 56.783 56.100 -0.072 0.000 1.018 170 R CB -0.416 29.849 30.300 -0.059 0.000 0.888 170 R HN 0.246 nan 8.270 nan 0.000 0.471 171 D N -0.546 119.620 120.400 -0.390 0.000 2.354 171 D HA 0.036 4.676 4.640 0.001 0.000 0.209 171 D C -0.369 175.471 176.300 -0.768 0.000 1.015 171 D CA 0.766 54.334 54.000 -0.721 0.000 0.867 171 D CB 0.369 40.476 40.800 -1.155 0.000 0.933 171 D HN -0.008 nan 8.370 nan 0.000 0.520 172 F N 1.011 120.963 119.950 0.004 0.000 2.540 172 F HA 0.341 4.869 4.527 0.001 0.000 0.317 172 F C 0.225 176.047 175.800 0.036 0.000 1.104 172 F CA -1.233 56.781 58.000 0.023 0.000 0.913 172 F CB 1.892 40.980 39.000 0.147 0.000 1.170 172 F HN -0.263 nan 8.300 nan 0.000 0.450 173 D N 0.386 120.918 120.400 0.220 0.000 3.103 173 D HA 0.452 5.093 4.640 0.001 0.000 0.337 173 D C 0.519 176.895 176.300 0.127 0.000 1.356 173 D CA -0.372 53.715 54.000 0.145 0.000 0.951 173 D CB 0.391 41.237 40.800 0.078 0.000 1.438 173 D HN 0.451 nan 8.370 nan 0.000 0.562 174 A N -0.442 122.429 122.820 0.086 0.000 2.076 174 A HA 0.219 4.540 4.320 0.001 0.000 0.220 174 A C 1.945 179.576 177.584 0.078 0.000 1.160 174 A CA 2.347 54.425 52.037 0.068 0.000 0.653 174 A CB -1.180 17.850 19.000 0.050 0.000 0.801 174 A HN 0.751 nan 8.150 nan 0.000 0.455 175 A N -1.023 121.843 122.820 0.077 0.000 2.178 175 A HA 0.263 4.583 4.320 0.001 0.000 0.211 175 A C 1.105 178.753 177.584 0.107 0.000 1.157 175 A CA 0.777 52.872 52.037 0.096 0.000 0.780 175 A CB -0.452 18.567 19.000 0.032 0.000 0.828 175 A HN 0.318 nan 8.150 nan 0.000 0.476 176 T N -0.328 114.238 114.554 0.019 0.000 2.814 176 T HA 0.319 4.670 4.350 0.001 0.000 0.297 176 T C 0.225 174.836 174.700 -0.147 0.000 0.956 176 T CA 0.323 62.313 62.100 -0.182 0.000 1.123 176 T CB 0.530 69.130 68.868 -0.445 0.000 0.902 176 T HN 0.313 nan 8.240 nan 0.000 0.528 177 Y N 1.583 121.620 120.300 -0.439 0.000 2.607 177 Y HA 0.537 5.088 4.550 0.001 0.000 0.276 177 Y C 0.194 176.026 175.900 -0.114 0.000 1.117 177 Y CA -0.351 57.525 58.100 -0.373 0.000 1.273 177 Y CB 0.638 38.678 38.460 -0.701 0.000 1.282 177 Y HN 0.417 nan 8.280 nan 0.000 0.514 178 L N -0.505 120.694 121.223 -0.040 0.000 2.505 178 L HA 0.787 5.128 4.340 0.001 0.000 0.259 178 L C -1.454 175.456 176.870 0.066 0.000 0.952 178 L CA -0.798 54.138 54.840 0.160 0.000 0.840 178 L CB 1.927 44.114 42.059 0.213 0.000 1.358 178 L HN -0.090 nan 8.230 nan 0.000 0.409 179 A N 4.794 127.790 122.820 0.293 0.000 2.371 179 A HA 0.879 5.200 4.320 0.001 0.000 0.311 179 A C -1.760 176.004 177.584 0.300 0.000 1.068 179 A CA -0.432 51.769 52.037 0.275 0.000 0.744 179 A CB 1.249 20.454 19.000 0.341 0.000 1.239 179 A HN 0.609 nan 8.150 nan 0.000 0.435 180 L N 3.457 124.795 121.223 0.193 0.000 2.362 180 L HA 0.613 4.953 4.340 0.001 0.000 0.275 180 L C -0.949 175.984 176.870 0.104 0.000 0.998 180 L CA -0.581 54.331 54.840 0.120 0.000 0.820 180 L CB 1.755 43.868 42.059 0.090 0.000 1.270 180 L HN 0.513 nan 8.230 nan 0.000 0.415 181 I N 2.646 123.238 120.570 0.036 0.000 2.647 181 I HA 0.394 4.565 4.170 0.001 0.000 0.295 181 I C -0.712 175.462 176.117 0.096 0.000 1.078 181 I CA -0.490 60.850 61.300 0.067 0.000 1.048 181 I CB 1.965 39.981 38.000 0.026 0.000 1.239 181 I HN 0.637 nan 8.210 nan 0.000 0.421 182 N N 3.777 122.613 118.700 0.227 0.000 2.321 182 N HA 0.738 5.478 4.740 0.001 0.000 0.299 182 N C -1.618 174.113 175.510 0.369 0.000 1.048 182 N CA -0.201 53.033 53.050 0.306 0.000 0.836 182 N CB 2.906 41.540 38.487 0.245 0.000 1.269 182 N HN 0.804 nan 8.380 nan 0.000 0.486 183 A N 2.633 125.687 122.820 0.390 0.000 2.371 183 A HA 0.619 4.940 4.320 0.001 0.000 0.311 183 A C -1.121 176.580 177.584 0.194 0.000 1.068 183 A CA -0.547 51.642 52.037 0.254 0.000 0.744 183 A CB 1.423 20.511 19.000 0.146 0.000 1.239 183 A HN 0.372 nan 8.150 nan 0.000 0.435 184 V N 2.304 122.320 119.914 0.170 0.000 2.540 184 V HA 0.549 4.670 4.120 0.001 0.000 0.302 184 V C -1.180 175.028 176.094 0.189 0.000 1.035 184 V CA -0.429 61.961 62.300 0.150 0.000 0.873 184 V CB 1.365 33.253 31.823 0.109 0.000 0.992 184 V HN 0.850 nan 8.190 nan 0.000 0.428 185 Y N 5.835 126.165 120.300 0.049 0.000 2.421 185 Y HA 0.745 5.296 4.550 0.001 0.000 0.339 185 Y C -1.696 174.273 175.900 0.116 0.000 0.996 185 Y CA -1.407 56.721 58.100 0.047 0.000 1.046 185 Y CB 1.969 40.414 38.460 -0.025 0.000 1.226 185 Y HN 0.592 nan 8.280 nan 0.000 0.445 186 F N 6.536 125.959 119.950 -0.877 0.000 2.569 186 F HA 0.668 5.196 4.527 0.001 0.000 0.312 186 F C -1.862 173.424 175.800 -0.858 0.000 1.109 186 F CA -0.791 56.803 58.000 -0.676 0.000 0.919 186 F CB 1.637 40.404 39.000 -0.388 0.000 1.211 186 F HN 0.507 nan 8.300 nan 0.000 0.446 187 K N 4.190 123.722 120.400 -1.448 0.000 2.535 187 K HA 0.735 5.056 4.320 0.001 0.000 0.250 187 K C -1.389 174.474 176.600 -1.228 0.000 0.948 187 K CA -0.736 54.771 56.287 -1.299 0.000 0.796 187 K CB 1.885 34.023 32.500 -0.604 0.000 1.216 187 K HN 1.000 nan 8.250 nan 0.000 0.432 188 G N 2.378 110.409 108.800 -1.281 0.000 2.706 188 G HA2 0.296 4.257 3.960 0.001 0.000 0.297 188 G HA3 0.296 4.257 3.960 0.001 0.000 0.297 188 G C -1.483 173.211 174.900 -0.345 0.000 1.403 188 G CA -0.719 43.995 45.100 -0.644 0.000 0.954 188 G HN 0.525 nan 8.290 nan 0.000 0.500 189 N N 0.221 118.875 118.700 -0.077 0.000 2.518 189 N HA 0.233 4.974 4.740 0.001 0.000 0.283 189 N C -0.075 175.539 175.510 0.173 0.000 1.119 189 N CA -0.168 52.877 53.050 -0.008 0.000 0.983 189 N CB 0.993 39.513 38.487 0.055 0.000 1.139 189 N HN 0.529 nan 8.380 nan 0.000 0.465 190 W N 1.353 122.805 121.300 0.254 0.000 2.293 190 W HA -0.010 4.650 4.660 0.001 0.000 0.342 190 W C 1.868 178.446 176.519 0.099 0.000 1.274 190 W CA -0.379 57.036 57.345 0.118 0.000 1.290 190 W CB 0.653 30.146 29.460 0.056 0.000 1.176 190 W HN 0.554 nan 8.180 nan 0.000 0.570 191 K N 1.255 121.856 120.400 0.335 0.000 2.103 191 K HA -0.185 4.136 4.320 0.001 0.000 0.207 191 K C 0.771 177.463 176.600 0.153 0.000 1.048 191 K CA 1.356 57.767 56.287 0.207 0.000 0.930 191 K CB -0.045 32.558 32.500 0.171 0.000 0.716 191 K HN 0.271 nan 8.250 nan 0.000 0.444 192 S N 0.903 116.704 115.700 0.169 0.000 2.667 192 S HA 0.198 4.669 4.470 0.001 0.000 0.304 192 S C -1.104 173.504 174.600 0.014 0.000 1.135 192 S CA -0.896 57.329 58.200 0.043 0.000 1.125 192 S CB 0.943 64.089 63.200 -0.090 0.000 0.996 192 S HN 0.222 nan 8.310 nan 0.000 0.474 193 Q N 2.708 122.555 119.800 0.078 0.000 2.394 193 Q HA 0.320 4.661 4.340 0.001 0.000 0.248 193 Q C -0.774 175.199 176.000 -0.045 0.000 0.992 193 Q CA 0.026 55.931 55.803 0.170 0.000 0.888 193 Q CB 0.673 29.552 28.738 0.234 0.000 1.257 193 Q HN 0.641 nan 8.270 nan 0.000 0.462 194 F N 0.902 120.904 119.950 0.087 0.000 2.412 194 F HA 0.243 4.771 4.527 0.001 0.000 0.348 194 F C 0.746 176.579 175.800 0.054 0.000 1.102 194 F CA -0.478 57.529 58.000 0.013 0.000 1.196 194 F CB 0.610 39.600 39.000 -0.016 0.000 1.144 194 F HN 0.197 nan 8.300 nan 0.000 0.541 195 R N 4.120 124.740 120.500 0.200 0.000 2.298 195 R HA 0.142 4.483 4.340 0.001 0.000 0.310 195 R C -1.831 174.565 176.300 0.160 0.000 1.068 195 R CA -1.435 54.755 56.100 0.150 0.000 0.957 195 R CB 0.413 30.776 30.300 0.105 0.000 1.003 195 R HN 0.345 nan 8.270 nan 0.000 0.454 196 P HA -0.244 nan 4.420 nan 0.000 0.217 196 P C 0.810 178.170 177.300 0.101 0.000 1.148 196 P CA 1.202 64.367 63.100 0.109 0.000 0.828 196 P CB 0.170 31.923 31.700 0.088 0.000 0.783 197 E N -1.081 119.177 120.200 0.097 0.000 2.338 197 E HA -0.153 4.198 4.350 0.001 0.000 0.197 197 E C 1.032 177.696 176.600 0.107 0.000 1.007 197 E CA 0.949 57.403 56.400 0.089 0.000 0.849 197 E CB -0.964 28.782 29.700 0.075 0.000 0.774 197 E HN 0.262 nan 8.360 nan 0.000 0.506 198 N N 0.810 119.592 118.700 0.137 0.000 2.353 198 N HA 0.016 4.757 4.740 0.001 0.000 0.185 198 N C -0.274 175.339 175.510 0.173 0.000 1.098 198 N CA 0.346 53.501 53.050 0.175 0.000 0.872 198 N CB 0.447 39.088 38.487 0.257 0.000 0.970 198 N HN 0.066 nan 8.380 nan 0.000 0.467 199 T N 1.756 116.394 114.554 0.140 0.000 2.832 199 T HA 0.367 4.718 4.350 0.001 0.000 0.296 199 T C 0.396 175.187 174.700 0.152 0.000 0.968 199 T CA -0.029 62.146 62.100 0.124 0.000 1.107 199 T CB 1.051 69.968 68.868 0.083 0.000 0.916 199 T HN 0.051 nan 8.240 nan 0.000 0.517 200 R N 1.289 121.919 120.500 0.217 0.000 2.771 200 R HA 0.453 4.794 4.340 0.001 0.000 0.274 200 R C -0.584 175.932 176.300 0.359 0.000 0.987 200 R CA -0.948 55.316 56.100 0.274 0.000 0.908 200 R CB 1.380 31.896 30.300 0.360 0.000 1.213 200 R HN 0.453 nan 8.270 nan 0.000 0.468 201 T N 2.347 117.048 114.554 0.245 0.000 2.853 201 T HA 0.253 4.604 4.350 0.001 0.000 0.298 201 T C -0.698 174.156 174.700 0.257 0.000 0.978 201 T CA 0.586 62.819 62.100 0.222 0.000 1.152 201 T CB -0.074 68.855 68.868 0.101 0.000 0.914 201 T HN 0.148 nan 8.240 nan 0.000 0.539 202 F N 0.873 120.868 119.950 0.075 0.000 2.577 202 F HA 0.431 4.959 4.527 0.002 0.000 0.318 202 F C 0.632 176.481 175.800 0.082 0.000 1.065 202 F CA -1.128 56.915 58.000 0.072 0.000 0.929 202 F CB 1.838 40.893 39.000 0.092 0.000 1.237 202 F HN 0.349 nan 8.300 nan 0.000 0.468 203 S N 2.413 118.227 115.700 0.190 0.000 2.528 203 S HA 0.331 4.802 4.470 0.001 0.000 0.277 203 S C -0.910 173.829 174.600 0.231 0.000 1.297 203 S CA -0.249 58.048 58.200 0.162 0.000 1.052 203 S CB 0.039 63.279 63.200 0.067 0.000 0.917 203 S HN 0.435 nan 8.310 nan 0.000 0.492 204 F N 2.854 122.845 119.950 0.070 0.000 2.426 204 F HA 0.366 4.894 4.527 0.001 0.000 0.348 204 F C -0.015 175.798 175.800 0.022 0.000 1.124 204 F CA -0.474 57.553 58.000 0.044 0.000 1.008 204 F CB 1.073 40.091 39.000 0.029 0.000 1.139 204 F HN 0.358 nan 8.300 nan 0.000 0.452 205 T N 6.501 120.911 114.554 -0.240 0.000 2.738 205 T HA 0.242 4.593 4.350 0.001 0.000 0.298 205 T C -0.087 174.512 174.700 -0.169 0.000 0.962 205 T CA -0.675 61.350 62.100 -0.125 0.000 0.972 205 T CB 0.449 69.239 68.868 -0.129 0.000 0.928 205 T HN 0.511 nan 8.240 nan 0.000 0.474 206 K N 1.972 122.422 120.400 0.083 0.000 2.276 206 K HA 0.075 4.395 4.320 0.001 0.000 0.259 206 K C 0.556 177.173 176.600 0.028 0.000 1.001 206 K CA -0.596 55.772 56.287 0.134 0.000 0.927 206 K CB 0.454 33.056 32.500 0.171 0.000 0.969 206 K HN 0.405 nan 8.250 nan 0.000 0.490 207 D N 1.369 121.789 120.400 0.034 0.000 2.371 207 D HA -0.112 4.528 4.640 0.001 0.000 0.221 207 D C 0.775 177.081 176.300 0.009 0.000 0.986 207 D CA 0.996 54.999 54.000 0.005 0.000 0.899 207 D CB -0.006 40.799 40.800 0.008 0.000 0.902 207 D HN 0.512 nan 8.370 nan 0.000 0.530 208 D N -0.307 120.106 120.400 0.021 0.000 2.340 208 D HA -0.029 4.612 4.640 0.001 0.000 0.217 208 D C 0.406 176.714 176.300 0.014 0.000 1.081 208 D CA 0.055 54.064 54.000 0.016 0.000 0.842 208 D CB -0.044 40.768 40.800 0.020 0.000 0.934 208 D HN 0.111 nan 8.370 nan 0.000 0.511 209 E N -0.957 119.249 120.200 0.011 0.000 4.071 209 E HA -0.210 4.141 4.350 0.001 0.000 0.355 209 E C -0.079 176.530 176.600 0.016 0.000 0.653 209 E CA 0.909 57.312 56.400 0.005 0.000 1.298 209 E CB -1.819 27.881 29.700 0.000 0.000 1.712 209 E HN 0.508 nan 8.360 nan 0.000 0.416 210 S N 0.660 116.378 115.700 0.029 0.000 2.584 210 S HA 0.308 4.779 4.470 0.001 0.000 0.270 210 S C 0.089 174.726 174.600 0.062 0.000 1.346 210 S CA -0.223 58.001 58.200 0.040 0.000 1.018 210 S CB 1.477 64.701 63.200 0.041 0.000 0.899 210 S HN 0.222 nan 8.310 nan 0.000 0.542 211 E N -0.146 120.093 120.200 0.063 0.000 2.288 211 E HA 0.616 4.967 4.350 0.001 0.000 0.268 211 E C -1.016 175.642 176.600 0.096 0.000 0.885 211 E CA -1.094 55.361 56.400 0.090 0.000 0.767 211 E CB 2.141 31.877 29.700 0.061 0.000 1.220 211 E HN 0.683 nan 8.360 nan 0.000 0.427 212 V N -0.786 119.211 119.914 0.139 0.000 2.876 212 V HA 0.483 4.604 4.120 0.001 0.000 0.312 212 V C -0.830 175.337 176.094 0.121 0.000 1.085 212 V CA -1.018 61.343 62.300 0.101 0.000 0.945 212 V CB 1.897 33.756 31.823 0.060 0.000 1.017 212 V HN 0.600 nan 8.190 nan 0.000 0.428 213 Q N 2.742 122.593 119.800 0.085 0.000 2.290 213 Q HA 0.721 5.061 4.340 0.001 0.000 0.259 213 Q C -1.053 175.000 176.000 0.089 0.000 0.941 213 Q CA -0.531 55.331 55.803 0.099 0.000 0.912 213 Q CB 2.133 30.912 28.738 0.069 0.000 1.244 213 Q HN 0.868 nan 8.270 nan 0.000 0.441 214 I N -0.546 120.098 120.570 0.124 0.000 2.969 214 I HA 0.593 4.763 4.170 0.001 0.000 0.307 214 I C -2.829 173.369 176.117 0.135 0.000 1.149 214 I CA -3.172 58.185 61.300 0.095 0.000 1.008 214 I CB 1.400 39.423 38.000 0.039 0.000 1.232 214 I HN 0.280 nan 8.210 nan 0.000 0.435 215 P HA 0.347 nan 4.420 nan 0.000 0.282 215 P C -0.926 176.426 177.300 0.087 0.000 1.274 215 P CA -0.020 63.144 63.100 0.106 0.000 0.770 215 P CB 0.871 32.613 31.700 0.070 0.000 0.867 216 M N 5.198 124.861 119.600 0.106 0.000 2.044 216 M HA 0.340 4.820 4.480 0.001 0.000 0.333 216 M C -0.468 175.809 176.300 -0.039 0.000 1.004 216 M CA -0.578 54.719 55.300 -0.005 0.000 0.954 216 M CB 0.430 32.925 32.600 -0.175 0.000 1.468 216 M HN 0.209 nan 8.290 nan 0.000 0.414 217 M N 3.700 123.218 119.600 -0.136 0.000 2.245 217 M HA 0.230 4.710 4.480 0.001 0.000 0.330 217 M C -0.976 175.263 176.300 -0.103 0.000 1.098 217 M CA 0.177 55.350 55.300 -0.210 0.000 1.172 217 M CB 0.447 32.618 32.600 -0.714 0.000 1.467 217 M HN 0.674 nan 8.290 nan 0.000 0.454 218 Y N 1.796 122.074 120.300 -0.036 0.000 2.470 218 Y HA 0.485 5.036 4.550 0.002 0.000 0.341 218 Y C -1.349 174.618 175.900 0.111 0.000 1.021 218 Y CA -0.685 57.340 58.100 -0.125 0.000 1.025 218 Y CB 1.571 39.786 38.460 -0.407 0.000 1.266 218 Y HN 0.739 nan 8.280 nan 0.000 0.448 219 Q N 4.143 123.304 119.800 -1.065 0.000 2.522 219 Q HA 0.333 4.674 4.340 0.001 0.000 0.285 219 Q C -2.112 173.222 176.000 -1.110 0.000 0.982 219 Q CA -1.176 53.945 55.803 -1.135 0.000 0.805 219 Q CB 2.226 30.573 28.738 -0.652 0.000 1.457 219 Q HN 0.747 nan 8.270 nan 0.000 0.394 220 Q N 0.885 120.270 119.800 -0.692 0.000 2.398 220 Q HA 0.610 4.950 4.340 0.001 0.000 0.251 220 Q C -1.092 174.715 176.000 -0.322 0.000 0.999 220 Q CA -0.262 55.336 55.803 -0.341 0.000 0.874 220 Q CB 1.141 29.797 28.738 -0.137 0.000 1.215 220 Q HN 0.802 nan 8.270 nan 0.000 0.470 221 G N 2.683 111.271 108.800 -0.353 0.000 2.733 221 G HA2 0.323 4.283 3.960 0.001 0.000 0.288 221 G HA3 0.323 4.283 3.960 0.001 0.000 0.288 221 G C -1.233 173.023 174.900 -1.073 0.000 1.373 221 G CA -0.615 44.014 45.100 -0.785 0.000 0.895 221 G HN 0.592 nan 8.290 nan 0.000 0.479 222 E N 0.440 119.929 120.200 -1.184 0.000 2.001 222 E HA 0.399 4.750 4.350 0.001 0.000 0.279 222 E C -1.121 174.876 176.600 -1.005 0.000 1.045 222 E CA 0.064 55.963 56.400 -0.835 0.000 0.833 222 E CB 0.892 30.286 29.700 -0.509 0.000 1.077 222 E HN 0.217 nan 8.360 nan 0.000 0.397 223 F N 0.646 120.461 119.950 -0.226 0.000 2.640 223 F HA 0.363 4.891 4.527 0.001 0.000 0.324 223 F C -0.277 175.405 175.800 -0.198 0.000 1.077 223 F CA -1.226 56.675 58.000 -0.166 0.000 0.965 223 F CB 0.711 39.653 39.000 -0.098 0.000 1.351 223 F HN 0.244 nan 8.300 nan 0.000 0.487 224 Y N 0.903 121.341 120.300 0.231 0.000 2.365 224 Y HA 0.382 4.933 4.550 0.001 0.000 0.340 224 Y C -0.663 175.366 175.900 0.215 0.000 1.016 224 Y CA -0.278 57.923 58.100 0.168 0.000 1.196 224 Y CB 0.544 39.075 38.460 0.119 0.000 1.167 224 Y HN 0.471 nan 8.280 nan 0.000 0.509 225 Y N 1.927 122.328 120.300 0.168 0.000 2.492 225 Y HA 0.793 5.343 4.550 0.001 0.000 0.346 225 Y C -0.495 175.462 175.900 0.095 0.000 0.997 225 Y CA -0.964 57.203 58.100 0.111 0.000 1.025 225 Y CB 2.062 40.559 38.460 0.062 0.000 1.263 225 Y HN 0.671 nan 8.280 nan 0.000 0.454 226 G N 3.543 112.043 108.800 -0.500 0.000 2.690 226 G HA2 0.552 4.513 3.960 0.001 0.000 0.291 226 G HA3 0.552 4.513 3.960 0.001 0.000 0.291 226 G C -2.042 172.449 174.900 -0.683 0.000 1.403 226 G CA -1.029 43.786 45.100 -0.474 0.000 0.864 226 G HN 0.577 nan 8.290 nan 0.000 0.480 227 E N -0.120 119.739 120.200 -0.568 0.000 2.210 227 E HA 0.553 4.904 4.350 0.001 0.000 0.266 227 E C -1.441 174.798 176.600 -0.601 0.000 0.883 227 E CA -0.417 55.733 56.400 -0.417 0.000 0.761 227 E CB 2.419 31.981 29.700 -0.229 0.000 1.156 227 E HN 0.323 nan 8.360 nan 0.000 0.412 228 F N 0.550 120.186 119.950 -0.524 0.000 2.563 228 F HA 0.287 4.815 4.527 0.001 0.000 0.316 228 F C 0.626 176.152 175.800 -0.456 0.000 1.076 228 F CA -1.106 56.579 58.000 -0.525 0.000 0.921 228 F CB 2.052 40.590 39.000 -0.771 0.000 1.209 228 F HN 0.264 nan 8.300 nan 0.000 0.462 229 S N 0.868 116.560 115.700 -0.012 0.000 2.549 229 S HA 0.059 4.530 4.470 0.001 0.000 0.279 229 S C 0.595 175.335 174.600 0.232 0.000 1.321 229 S CA -0.578 57.665 58.200 0.070 0.000 1.054 229 S CB 0.415 63.657 63.200 0.071 0.000 0.899 229 S HN 0.698 nan 8.310 nan 0.000 0.497 230 D N 2.707 123.262 120.400 0.258 0.000 2.339 230 D HA 0.186 4.827 4.640 0.001 0.000 0.217 230 D C 1.307 177.729 176.300 0.204 0.000 1.050 230 D CA 0.666 54.879 54.000 0.354 0.000 0.856 230 D CB -0.492 40.490 40.800 0.304 0.000 0.922 230 D HN 0.941 nan 8.370 nan 0.000 0.518 231 G N 0.118 109.012 108.800 0.157 0.000 2.175 231 G HA2 -0.293 3.667 3.960 0.001 0.000 0.244 231 G HA3 -0.293 3.667 3.960 0.001 0.000 0.244 231 G C 0.528 175.474 174.900 0.076 0.000 0.982 231 G CA 0.476 45.641 45.100 0.108 0.000 0.641 231 G HN 0.826 nan 8.290 nan 0.000 0.527 237 G N 1.458 110.281 108.800 0.039 0.000 3.084 237 G HA2 0.456 4.416 3.960 0.001 0.000 0.254 237 G HA3 0.456 4.416 3.960 0.001 0.000 0.254 237 G C 0.226 175.168 174.900 0.069 0.000 0.834 237 G CA 0.695 45.829 45.100 0.057 0.000 1.999 237 G HN 1.025 nan 8.290 nan 0.000 0.611 238 I N -2.041 118.572 120.570 0.071 0.000 2.969 238 I HA 0.831 5.002 4.170 0.001 0.000 0.307 238 I C -0.784 175.409 176.117 0.126 0.000 1.149 238 I CA -2.381 58.951 61.300 0.053 0.000 1.008 238 I CB 1.734 39.723 38.000 -0.018 0.000 1.232 238 I HN 0.160 nan 8.210 nan 0.000 0.435 239 Y N 0.677 121.023 120.300 0.075 0.000 2.562 239 Y HA 0.795 5.346 4.550 0.001 0.000 0.343 239 Y C -0.824 175.091 175.900 0.025 0.000 1.025 239 Y CA -1.076 57.045 58.100 0.036 0.000 1.082 239 Y CB 1.114 39.580 38.460 0.011 0.000 1.264 239 Y HN 0.662 nan 8.280 nan 0.000 0.478 240 Q N 1.671 121.541 119.800 0.117 0.000 2.245 240 Q HA 0.668 5.009 4.340 0.001 0.000 0.256 240 Q C -1.360 174.598 176.000 -0.069 0.000 0.942 240 Q CA -1.191 54.586 55.803 -0.043 0.000 0.896 240 Q CB 2.636 31.417 28.738 0.071 0.000 1.272 240 Q HN 0.634 nan 8.270 nan 0.000 0.442 241 V N 3.334 123.124 119.914 -0.206 0.000 2.487 241 V HA 0.423 4.544 4.120 0.001 0.000 0.298 241 V C -1.054 174.963 176.094 -0.128 0.000 1.028 241 V CA -0.780 61.365 62.300 -0.258 0.000 0.860 241 V CB 1.552 33.114 31.823 -0.435 0.000 0.991 241 V HN 0.536 nan 8.190 nan 0.000 0.427 242 L N 4.181 125.367 121.223 -0.061 0.000 2.356 242 L HA 0.642 4.983 4.340 0.001 0.000 0.277 242 L C -0.423 176.449 176.870 0.004 0.000 0.996 242 L CA 0.002 54.871 54.840 0.049 0.000 0.822 242 L CB 1.751 43.839 42.059 0.047 0.000 1.256 242 L HN 0.801 nan 8.230 nan 0.000 0.413 243 E N 5.333 125.588 120.200 0.092 0.000 2.165 243 E HA 0.480 4.831 4.350 0.001 0.000 0.266 243 E C -1.373 175.291 176.600 0.106 0.000 0.889 243 E CA -0.524 55.920 56.400 0.073 0.000 0.756 243 E CB 1.161 30.908 29.700 0.078 0.000 1.131 243 E HN 0.651 nan 8.360 nan 0.000 0.411 244 I N 7.041 127.585 120.570 -0.043 0.000 2.354 244 I HA 0.321 4.492 4.170 0.001 0.000 0.286 244 I C -2.218 173.889 176.117 -0.017 0.000 1.007 244 I CA -2.360 58.852 61.300 -0.147 0.000 1.167 244 I CB 1.384 39.017 38.000 -0.612 0.000 1.320 244 I HN 0.319 nan 8.210 nan 0.000 0.458 245 P HA 0.193 nan 4.420 nan 0.000 0.278 245 P C -1.234 176.108 177.300 0.070 0.000 1.238 245 P CA -0.120 63.039 63.100 0.099 0.000 0.794 245 P CB 0.494 32.308 31.700 0.190 0.000 0.955 246 Y N -0.630 119.796 120.300 0.209 0.000 2.354 246 Y HA 0.186 4.736 4.550 0.001 0.000 0.322 246 Y C 1.504 177.455 175.900 0.086 0.000 1.253 246 Y CA -0.356 57.838 58.100 0.158 0.000 1.272 246 Y CB 0.342 38.862 38.460 0.101 0.000 1.255 246 Y HN 0.368 nan 8.280 nan 0.000 0.500 247 E N 0.569 120.932 120.200 0.273 0.000 2.568 247 E HA 0.111 4.461 4.350 0.001 0.000 0.262 247 E C 0.758 177.453 176.600 0.158 0.000 0.961 247 E CA 1.470 57.985 56.400 0.191 0.000 0.945 247 E CB 0.076 29.885 29.700 0.181 0.000 0.924 247 E HN 0.942 nan 8.360 nan 0.000 0.467 248 G N 3.219 112.112 108.800 0.154 0.000 2.213 248 G HA2 -0.275 3.686 3.960 0.001 0.000 0.226 248 G HA3 -0.275 3.686 3.960 0.001 0.000 0.226 248 G C 0.257 175.198 174.900 0.070 0.000 0.992 248 G CA -0.010 45.203 45.100 0.189 0.000 0.632 248 G HN 0.771 nan 8.290 nan 0.000 0.511 249 D N -0.308 120.108 120.400 0.027 0.000 3.039 249 D HA -0.148 4.493 4.640 0.001 0.000 0.222 249 D C 1.240 177.529 176.300 -0.018 0.000 1.179 249 D CA 1.622 55.639 54.000 0.029 0.000 0.880 249 D CB -0.558 40.279 40.800 0.062 0.000 1.115 249 D HN 0.634 nan 8.370 nan 0.000 0.416 250 E N -0.649 119.475 120.200 -0.125 0.000 2.244 250 E HA 0.107 4.457 4.350 0.001 0.000 0.196 250 E C 1.159 177.667 176.600 -0.153 0.000 0.939 250 E CA 0.415 56.738 56.400 -0.129 0.000 0.884 250 E CB 0.902 30.519 29.700 -0.139 0.000 0.850 250 E HN 0.335 nan 8.360 nan 0.000 0.481 251 I N 1.066 121.509 120.570 -0.211 0.000 2.603 251 I HA 0.283 4.453 4.170 0.001 0.000 0.300 251 I C 0.272 176.464 176.117 0.125 0.000 1.017 251 I CA -0.790 60.425 61.300 -0.142 0.000 1.098 251 I CB 1.626 39.384 38.000 -0.403 0.000 1.279 251 I HN -0.137 nan 8.210 nan 0.000 0.437 252 S N 4.897 120.668 115.700 0.119 0.000 2.618 252 S HA 0.725 5.196 4.470 0.001 0.000 0.277 252 S C -0.856 173.842 174.600 0.164 0.000 1.138 252 S CA -0.871 57.402 58.200 0.122 0.000 0.844 252 S CB 2.546 65.756 63.200 0.016 0.000 1.127 252 S HN 0.608 nan 8.310 nan 0.000 0.474 253 M N 2.758 122.429 119.600 0.117 0.000 2.205 253 M HA 0.537 5.017 4.480 0.001 0.000 0.344 253 M C -1.163 175.172 176.300 0.058 0.000 1.085 253 M CA -0.640 54.759 55.300 0.165 0.000 1.001 253 M CB 1.395 34.191 32.600 0.326 0.000 1.626 253 M HN 0.933 nan 8.290 nan 0.000 0.442 254 M N 6.195 125.817 119.600 0.036 0.000 2.180 254 M HA 0.499 4.980 4.480 0.001 0.000 0.350 254 M C -2.044 174.222 176.300 -0.055 0.000 1.125 254 M CA -0.580 54.707 55.300 -0.021 0.000 1.031 254 M CB 0.855 33.447 32.600 -0.014 0.000 1.623 254 M HN 0.713 nan 8.290 nan 0.000 0.451 255 L N 5.701 126.867 121.223 -0.095 0.000 2.322 255 L HA 0.684 5.024 4.340 0.001 0.000 0.281 255 L C -1.091 175.655 176.870 -0.208 0.000 1.014 255 L CA -0.977 53.799 54.840 -0.107 0.000 0.815 255 L CB 1.917 43.943 42.059 -0.056 0.000 1.247 255 L HN 0.410 nan 8.230 nan 0.000 0.421 256 V N 4.333 124.103 119.914 -0.240 0.000 2.444 256 V HA 0.504 4.625 4.120 0.001 0.000 0.294 256 V C -0.683 175.313 176.094 -0.164 0.000 1.022 256 V CA -0.493 61.617 62.300 -0.318 0.000 0.850 256 V CB 2.109 33.577 31.823 -0.592 0.000 0.992 256 V HN 0.480 nan 8.190 nan 0.000 0.426 257 L N 5.196 126.373 121.223 -0.077 0.000 2.439 257 L HA 0.678 5.019 4.340 0.001 0.000 0.270 257 L C 0.442 177.337 176.870 0.042 0.000 0.972 257 L CA 0.149 54.975 54.840 -0.023 0.000 0.836 257 L CB 2.248 44.306 42.059 -0.002 0.000 1.255 257 L HN 0.808 nan 8.230 nan 0.000 0.404 258 S N 4.211 119.916 115.700 0.008 0.000 2.589 258 S HA 0.435 4.905 4.470 0.001 0.000 0.265 258 S C 0.470 175.099 174.600 0.049 0.000 1.342 258 S CA -0.565 57.664 58.200 0.048 0.000 1.005 258 S CB 0.564 63.764 63.200 0.001 0.000 0.909 258 S HN 0.709 nan 8.310 nan 0.000 0.555 259 R N 0.731 121.270 120.500 0.065 0.000 2.698 259 R HA -0.001 4.339 4.340 0.001 0.000 0.266 259 R C 1.726 178.029 176.300 0.004 0.000 1.026 259 R CA 0.093 56.217 56.100 0.040 0.000 1.102 259 R CB 0.103 30.430 30.300 0.045 0.000 0.978 259 R HN 0.845 nan 8.270 nan 0.000 0.436 260 Q N 1.369 121.162 119.800 -0.011 0.000 2.197 260 Q HA -0.231 4.110 4.340 0.001 0.000 0.207 260 Q C 0.467 176.445 176.000 -0.037 0.000 0.984 260 Q CA 1.888 57.667 55.803 -0.040 0.000 0.869 260 Q CB 0.233 28.948 28.738 -0.039 0.000 0.906 260 Q HN 0.485 nan 8.270 nan 0.000 0.426 261 E N -1.098 119.092 120.200 -0.017 0.000 2.489 261 E HA 0.069 4.419 4.350 0.001 0.000 0.193 261 E C -0.673 175.921 176.600 -0.010 0.000 1.057 261 E CA 0.027 56.419 56.400 -0.014 0.000 0.866 261 E CB 0.823 30.520 29.700 -0.004 0.000 0.916 261 E HN -0.025 nan 8.360 nan 0.000 0.500 262 V N 2.832 122.740 119.914 -0.010 0.000 2.540 262 V HA 0.325 4.445 4.120 0.001 0.000 0.302 262 V C -2.339 173.746 176.094 -0.014 0.000 1.035 262 V CA -2.277 60.021 62.300 -0.003 0.000 0.873 262 V CB 2.110 33.942 31.823 0.015 0.000 0.992 262 V HN -0.004 nan 8.190 nan 0.000 0.428 263 P HA 0.139 nan 4.420 nan 0.000 0.275 263 P C 0.722 178.013 177.300 -0.015 0.000 1.228 263 P CA -0.356 62.735 63.100 -0.015 0.000 0.786 263 P CB 1.304 32.999 31.700 -0.008 0.000 0.927 264 L N 3.483 124.697 121.223 -0.015 0.000 2.081 264 L HA -0.208 4.133 4.340 0.001 0.000 0.212 264 L C 2.304 179.170 176.870 -0.007 0.000 1.080 264 L CA 2.422 57.252 54.840 -0.015 0.000 0.754 264 L CB -1.700 40.361 42.059 0.004 0.000 0.893 264 L HN 0.490 nan 8.230 nan 0.000 0.433 265 A N -1.899 120.922 122.820 0.002 0.000 2.076 265 A HA -0.206 4.114 4.320 0.001 0.000 0.220 265 A C 2.203 179.787 177.584 0.001 0.000 1.160 265 A CA 2.101 54.142 52.037 0.006 0.000 0.653 265 A CB -1.064 17.937 19.000 0.002 0.000 0.801 265 A HN 0.555 nan 8.150 nan 0.000 0.455 266 T N -0.039 114.511 114.554 -0.005 0.000 2.904 266 T HA 0.036 4.387 4.350 0.001 0.000 0.267 266 T C 1.635 176.326 174.700 -0.015 0.000 1.059 266 T CA 1.139 63.237 62.100 -0.003 0.000 1.137 266 T CB -0.180 68.691 68.868 0.004 0.000 0.879 266 T HN 0.411 nan 8.240 nan 0.000 0.467 267 L N 0.286 121.481 121.223 -0.047 0.000 2.307 267 L HA 0.133 4.474 4.340 0.001 0.000 0.211 267 L C 2.544 179.382 176.870 -0.054 0.000 1.099 267 L CA 0.769 55.541 54.840 -0.113 0.000 0.816 267 L CB -0.405 41.505 42.059 -0.248 0.000 0.952 267 L HN 0.267 nan 8.230 nan 0.000 0.455 268 E N 0.685 120.885 120.200 -0.000 0.000 2.097 268 E HA -0.221 4.130 4.350 0.001 0.000 0.196 268 E C -0.750 175.884 176.600 0.057 0.000 1.000 268 E CA 1.343 57.782 56.400 0.065 0.000 0.804 268 E CB -0.783 28.973 29.700 0.094 0.000 0.740 268 E HN 0.429 nan 8.360 nan 0.000 0.454 269 P HA -0.116 nan 4.420 nan 0.000 0.225 269 P C 0.992 178.299 177.300 0.012 0.000 1.148 269 P CA 0.968 64.081 63.100 0.022 0.000 0.779 269 P CB 0.038 31.745 31.700 0.013 0.000 0.780 270 L N -1.717 119.510 121.223 0.006 0.000 2.313 270 L HA 0.003 4.343 4.340 0.001 0.000 0.214 270 L C 0.543 177.386 176.870 -0.045 0.000 1.119 270 L CA 0.318 55.156 54.840 -0.004 0.000 0.809 270 L CB -0.378 41.690 42.059 0.014 0.000 0.933 270 L HN -0.223 nan 8.230 nan 0.000 0.449 271 V N 1.986 121.883 119.914 -0.028 0.000 2.397 271 V HA 0.074 4.195 4.120 0.001 0.000 0.262 271 V C 0.124 176.154 176.094 -0.105 0.000 1.047 271 V CA 0.304 62.551 62.300 -0.090 0.000 1.003 271 V CB -0.061 31.768 31.823 0.011 0.000 1.037 271 V HN 0.250 nan 8.190 nan 0.000 0.480 272 K N 2.835 123.113 120.400 -0.203 0.000 2.444 272 K HA 0.707 5.028 4.320 0.001 0.000 0.252 272 K C 1.071 177.538 176.600 -0.220 0.000 0.993 272 K CA -0.387 55.804 56.287 -0.159 0.000 0.847 272 K CB 2.137 34.564 32.500 -0.123 0.000 1.340 272 K HN 0.380 nan 8.250 nan 0.000 0.446 273 A N 0.786 123.516 122.820 -0.150 0.000 1.940 273 A HA -0.242 4.078 4.320 0.001 0.000 0.219 273 A C 2.075 179.552 177.584 -0.178 0.000 1.176 273 A CA 1.889 53.838 52.037 -0.146 0.000 0.631 273 A CB -0.493 18.452 19.000 -0.092 0.000 0.814 273 A HN 0.832 nan 8.150 nan 0.000 0.446 274 Q N -1.151 118.551 119.800 -0.162 0.000 2.119 274 Q HA -0.139 4.202 4.340 0.001 0.000 0.201 274 Q C 1.947 177.813 176.000 -0.223 0.000 0.972 274 Q CA 1.478 57.194 55.803 -0.146 0.000 0.847 274 Q CB -0.188 28.488 28.738 -0.102 0.000 0.903 274 Q HN 0.536 nan 8.270 nan 0.000 0.433 275 L N -0.108 120.909 121.223 -0.344 0.000 2.056 275 L HA -0.111 4.229 4.340 0.001 0.000 0.207 275 L C 2.116 178.412 176.870 -0.956 0.000 1.078 275 L CA 1.319 55.797 54.840 -0.603 0.000 0.749 275 L CB -0.582 41.071 42.059 -0.678 0.000 0.901 275 L HN 0.082 nan 8.230 nan 0.000 0.433 276 V N -0.086 119.333 119.914 -0.825 0.000 2.324 276 V HA -0.311 3.810 4.120 0.001 0.000 0.250 276 V C 2.652 178.611 176.094 -0.225 0.000 1.060 276 V CA 1.933 63.876 62.300 -0.595 0.000 1.042 276 V CB -0.718 30.924 31.823 -0.303 0.000 0.650 276 V HN 0.552 nan 8.190 nan 0.000 0.450 277 E N 0.652 120.744 120.200 -0.181 0.000 2.051 277 E HA -0.263 4.088 4.350 0.001 0.000 0.192 277 E C 2.217 178.812 176.600 -0.009 0.000 0.991 277 E CA 1.941 58.303 56.400 -0.062 0.000 0.799 277 E CB -0.344 29.322 29.700 -0.058 0.000 0.748 277 E HN 0.703 nan 8.360 nan 0.000 0.449 278 E N -0.823 119.345 120.200 -0.053 0.000 2.085 278 E HA -0.207 4.143 4.350 0.001 0.000 0.194 278 E C 1.656 178.417 176.600 0.269 0.000 0.994 278 E CA 1.445 57.892 56.400 0.078 0.000 0.801 278 E CB -0.299 29.437 29.700 0.060 0.000 0.743 278 E HN 0.365 nan 8.360 nan 0.000 0.453 279 W N 0.620 121.938 121.300 0.029 0.000 2.317 279 W HA -0.146 4.515 4.660 0.002 0.000 0.318 279 W C 2.610 179.183 176.519 0.089 0.000 1.227 279 W CA 1.264 58.601 57.345 -0.013 0.000 1.269 279 W CB -1.404 27.939 29.460 -0.194 0.000 1.155 279 W HN 0.275 nan 8.180 nan 0.000 0.484 280 A N 0.289 123.270 122.820 0.270 0.000 1.978 280 A HA -0.206 4.115 4.320 0.001 0.000 0.220 280 A C 1.761 179.414 177.584 0.115 0.000 1.170 280 A CA 1.913 54.036 52.037 0.143 0.000 0.636 280 A CB -0.750 18.297 19.000 0.078 0.000 0.810 280 A HN 0.279 nan 8.150 nan 0.000 0.448 281 N N -0.716 118.067 118.700 0.138 0.000 2.336 281 N HA 0.082 4.823 4.740 0.001 0.000 0.189 281 N C 0.865 176.454 175.510 0.132 0.000 1.113 281 N CA 0.857 53.972 53.050 0.108 0.000 0.858 281 N CB 0.439 38.975 38.487 0.082 0.000 0.970 281 N HN 0.377 nan 8.380 nan 0.000 0.471 282 S N -0.487 115.335 115.700 0.204 0.000 2.559 282 S HA 0.112 4.582 4.470 0.001 0.000 0.226 282 S C 0.704 175.391 174.600 0.146 0.000 1.030 282 S CA -0.464 57.838 58.200 0.170 0.000 0.956 282 S CB 0.843 64.180 63.200 0.230 0.000 0.900 282 S HN 0.156 nan 8.310 nan 0.000 0.510 283 V N 1.342 121.383 119.914 0.213 0.000 2.649 283 V HA 0.557 4.678 4.120 0.001 0.000 0.292 283 V C -0.307 175.953 176.094 0.277 0.000 1.055 283 V CA -0.631 61.804 62.300 0.225 0.000 1.023 283 V CB 1.069 33.049 31.823 0.262 0.000 0.992 283 V HN 0.148 nan 8.190 nan 0.000 0.480 284 K N 3.257 123.801 120.400 0.239 0.000 2.376 284 K HA 0.408 4.729 4.320 0.001 0.000 0.257 284 K C -0.367 176.254 176.600 0.036 0.000 0.939 284 K CA -0.778 55.610 56.287 0.168 0.000 0.809 284 K CB 1.621 34.175 32.500 0.090 0.000 1.121 284 K HN 0.900 nan 8.250 nan 0.000 0.425 285 K N 3.926 124.202 120.400 -0.205 0.000 2.412 285 K HA 0.001 4.321 4.320 0.001 0.000 0.281 285 K C -0.948 175.491 176.600 -0.268 0.000 1.027 285 K CA 0.464 56.410 56.287 -0.569 0.000 0.989 285 K CB 0.486 32.490 32.500 -0.826 0.000 0.935 285 K HN 0.780 nan 8.250 nan 0.000 0.475 286 Q N 2.337 121.986 119.800 -0.251 0.000 2.776 286 Q HA 0.217 4.558 4.340 0.001 0.000 0.289 286 Q C -1.528 174.342 176.000 -0.217 0.000 0.912 286 Q CA -1.227 54.467 55.803 -0.182 0.000 0.789 286 Q CB 0.542 29.217 28.738 -0.104 0.000 1.498 286 Q HN 0.312 nan 8.270 nan 0.000 0.408 287 K N 1.004 121.284 120.400 -0.201 0.000 2.447 287 K HA 0.362 4.683 4.320 0.001 0.000 0.281 287 K C -0.849 175.646 176.600 -0.175 0.000 1.031 287 K CA 0.066 56.226 56.287 -0.211 0.000 1.019 287 K CB 0.823 33.222 32.500 -0.168 0.000 0.918 287 K HN 0.356 nan 8.250 nan 0.000 0.476 288 V N 3.142 122.967 119.914 -0.147 0.000 2.709 288 V HA 0.121 4.242 4.120 0.001 0.000 0.308 288 V C -0.366 175.703 176.094 -0.041 0.000 1.062 288 V CA -1.067 61.177 62.300 -0.093 0.000 0.901 288 V CB 1.947 33.771 31.823 0.002 0.000 1.003 288 V HN 0.658 nan 8.190 nan 0.000 0.425 289 E N 3.043 123.236 120.200 -0.012 0.000 2.166 289 E HA 0.314 4.665 4.350 0.001 0.000 0.279 289 E C -0.924 175.732 176.600 0.093 0.000 1.095 289 E CA -0.069 56.375 56.400 0.074 0.000 0.888 289 E CB 1.734 31.581 29.700 0.245 0.000 1.041 289 E HN 0.410 nan 8.360 nan 0.000 0.414 290 V N 4.863 124.734 119.914 -0.072 0.000 2.409 290 V HA 0.258 4.379 4.120 0.001 0.000 0.291 290 V C -0.803 175.245 176.094 -0.078 0.000 1.020 290 V CA -0.793 61.494 62.300 -0.022 0.000 0.848 290 V CB 0.504 32.264 31.823 -0.105 0.000 0.990 290 V HN 0.502 nan 8.190 nan 0.000 0.430 291 Y N 5.491 125.823 120.300 0.053 0.000 2.334 291 Y HA 0.716 5.267 4.550 0.001 0.000 0.336 291 Y C -0.316 175.530 175.900 -0.089 0.000 0.960 291 Y CA -0.693 57.389 58.100 -0.029 0.000 1.164 291 Y CB 1.822 40.184 38.460 -0.162 0.000 1.155 291 Y HN 0.520 nan 8.280 nan 0.000 0.478 292 L N 7.184 128.373 121.223 -0.056 0.000 2.439 292 L HA 0.681 5.022 4.340 0.001 0.000 0.270 292 L C -2.926 173.882 176.870 -0.105 0.000 0.972 292 L CA -2.594 52.187 54.840 -0.097 0.000 0.836 292 L CB 1.950 43.884 42.059 -0.209 0.000 1.255 292 L HN 0.231 nan 8.230 nan 0.000 0.404 293 P HA 0.171 nan 4.420 nan 0.000 0.269 293 P C -1.122 176.271 177.300 0.155 0.000 1.209 293 P CA -0.215 62.936 63.100 0.085 0.000 0.776 293 P CB 0.421 32.176 31.700 0.091 0.000 0.876 294 R N 3.381 123.917 120.500 0.060 0.000 2.351 294 R HA 0.399 4.740 4.340 0.001 0.000 0.318 294 R C -0.529 175.851 176.300 0.134 0.000 1.055 294 R CA 0.079 56.199 56.100 0.032 0.000 0.968 294 R CB -0.601 29.698 30.300 -0.003 0.000 0.974 294 R HN 0.512 nan 8.270 nan 0.000 0.439 295 F N -0.337 119.584 119.950 -0.048 0.000 2.668 295 F HA 0.521 5.049 4.527 0.001 0.000 0.309 295 F C -1.445 174.303 175.800 -0.085 0.000 1.117 295 F CA -0.934 57.023 58.000 -0.072 0.000 0.951 295 F CB 1.752 40.695 39.000 -0.095 0.000 1.323 295 F HN 0.146 nan 8.300 nan 0.000 0.451 296 T N 2.177 116.747 114.554 0.026 0.000 2.863 296 T HA 0.734 5.084 4.350 0.001 0.000 0.285 296 T C -1.242 173.452 174.700 -0.011 0.000 1.009 296 T CA -0.643 61.361 62.100 -0.159 0.000 0.989 296 T CB 1.957 70.717 68.868 -0.180 0.000 1.004 296 T HN 0.620 nan 8.240 nan 0.000 0.455 297 V N 2.507 122.339 119.914 -0.137 0.000 2.789 297 V HA 0.590 4.711 4.120 0.001 0.000 0.311 297 V C -0.497 175.508 176.094 -0.149 0.000 1.073 297 V CA -0.854 61.422 62.300 -0.039 0.000 0.921 297 V CB 2.235 34.123 31.823 0.108 0.000 1.009 297 V HN 0.861 nan 8.190 nan 0.000 0.426 298 E N 2.158 122.342 120.200 -0.028 0.000 2.340 298 E HA 0.671 5.022 4.350 0.001 0.000 0.273 298 E C -1.381 175.266 176.600 0.078 0.000 0.891 298 E CA -0.681 55.745 56.400 0.043 0.000 0.757 298 E CB 2.999 32.760 29.700 0.100 0.000 1.231 298 E HN 0.671 nan 8.360 nan 0.000 0.439 299 Q N 1.838 121.701 119.800 0.106 0.000 2.327 299 Q HA 0.197 4.537 4.340 0.001 0.000 0.265 299 Q C -1.878 174.187 176.000 0.109 0.000 0.993 299 Q CA -0.478 55.388 55.803 0.105 0.000 0.885 299 Q CB 2.161 30.975 28.738 0.126 0.000 1.379 299 Q HN 0.538 nan 8.270 nan 0.000 0.408 300 E N 4.652 124.904 120.200 0.086 0.000 2.156 300 E HA 0.495 4.846 4.350 0.001 0.000 0.279 300 E C -0.746 175.904 176.600 0.082 0.000 0.965 300 E CA -0.573 55.877 56.400 0.084 0.000 0.789 300 E CB 0.939 30.675 29.700 0.061 0.000 1.098 300 E HN 0.575 nan 8.360 nan 0.000 0.397 301 I N 0.452 121.091 120.570 0.116 0.000 2.863 301 I HA 0.501 4.671 4.170 0.001 0.000 0.311 301 I C -0.328 175.819 176.117 0.049 0.000 1.026 301 I CA -1.021 60.321 61.300 0.071 0.000 1.077 301 I CB 1.760 39.799 38.000 0.065 0.000 1.262 301 I HN 0.339 nan 8.210 nan 0.000 0.461 302 D N 3.710 124.108 120.400 -0.003 0.000 2.483 302 D HA 0.122 4.762 4.640 0.001 0.000 0.220 302 D C 0.482 176.762 176.300 -0.034 0.000 1.173 302 D CA -0.270 53.715 54.000 -0.025 0.000 0.964 302 D CB 0.907 41.676 40.800 -0.052 0.000 1.046 302 D HN 0.639 nan 8.370 nan 0.000 0.517 303 L N 4.369 125.596 121.223 0.008 0.000 2.217 303 L HA 0.003 4.344 4.340 0.001 0.000 0.211 303 L C 2.073 178.933 176.870 -0.018 0.000 1.107 303 L CA 1.527 56.380 54.840 0.021 0.000 0.783 303 L CB -0.395 41.726 42.059 0.103 0.000 0.919 303 L HN 0.325 nan 8.230 nan 0.000 0.442 304 K N -0.522 119.819 120.400 -0.098 0.000 2.057 304 K HA -0.253 4.068 4.320 0.001 0.000 0.207 304 K C 1.831 178.251 176.600 -0.301 0.000 1.049 304 K CA 1.862 57.945 56.287 -0.340 0.000 0.931 304 K CB -0.177 32.009 32.500 -0.523 0.000 0.714 304 K HN 0.480 nan 8.250 nan 0.000 0.440 305 D N -0.354 119.933 120.400 -0.189 0.000 2.144 305 D HA -0.125 4.516 4.640 0.001 0.000 0.200 305 D C 1.723 177.959 176.300 -0.107 0.000 0.978 305 D CA 0.899 54.812 54.000 -0.145 0.000 0.833 305 D CB 0.255 40.987 40.800 -0.113 0.000 0.961 305 D HN 0.026 nan 8.370 nan 0.000 0.470 306 V N 0.251 120.109 119.914 -0.093 0.000 2.379 306 V HA -0.144 3.976 4.120 0.001 0.000 0.245 306 V C 2.502 178.574 176.094 -0.035 0.000 1.044 306 V CA 1.129 63.379 62.300 -0.084 0.000 1.036 306 V CB -0.379 31.375 31.823 -0.115 0.000 0.664 306 V HN 0.324 nan 8.190 nan 0.000 0.453 307 L N -0.557 120.672 121.223 0.010 0.000 2.093 307 L HA -0.172 4.169 4.340 0.001 0.000 0.208 307 L C 2.518 179.448 176.870 0.099 0.000 1.085 307 L CA 1.576 56.474 54.840 0.097 0.000 0.755 307 L CB -0.559 41.652 42.059 0.254 0.000 0.904 307 L HN 0.265 nan 8.230 nan 0.000 0.435 308 K N 0.087 120.510 120.400 0.039 0.000 2.097 308 K HA -0.105 4.216 4.320 0.001 0.000 0.205 308 K C 2.194 178.802 176.600 0.014 0.000 1.050 308 K CA 1.219 57.525 56.287 0.032 0.000 0.938 308 K CB -0.215 32.249 32.500 -0.059 0.000 0.718 308 K HN 0.272 nan 8.250 nan 0.000 0.442 309 A N 1.061 123.872 122.820 -0.015 0.000 2.015 309 A HA -0.082 4.238 4.320 0.001 0.000 0.219 309 A C 1.934 179.512 177.584 -0.009 0.000 1.163 309 A CA 1.056 53.080 52.037 -0.022 0.000 0.646 309 A CB -0.435 18.538 19.000 -0.046 0.000 0.806 309 A HN 0.169 nan 8.150 nan 0.000 0.448 310 L N -1.770 119.454 121.223 0.002 0.000 2.395 310 L HA 0.108 4.448 4.340 0.001 0.000 0.218 310 L C 1.718 178.598 176.870 0.017 0.000 1.130 310 L CA 0.781 55.619 54.840 -0.002 0.000 0.826 310 L CB -0.179 41.878 42.059 -0.004 0.000 0.941 310 L HN 0.603 nan 8.230 nan 0.000 0.451 311 G N 0.374 109.198 108.800 0.041 0.000 2.154 311 G HA2 -0.201 3.759 3.960 0.001 0.000 0.186 311 G HA3 -0.201 3.759 3.960 0.001 0.000 0.186 311 G C 0.093 175.044 174.900 0.085 0.000 1.000 311 G CA -0.591 44.545 45.100 0.061 0.000 0.664 311 G HN 0.202 nan 8.290 nan 0.000 0.513 312 I N 2.630 123.267 120.570 0.111 0.000 2.287 312 I HA 0.376 4.546 4.170 0.001 0.000 0.290 312 I C 1.510 177.792 176.117 0.275 0.000 1.069 312 I CA 0.532 61.924 61.300 0.154 0.000 1.237 312 I CB 1.146 39.240 38.000 0.156 0.000 1.418 312 I HN 0.282 nan 8.210 nan 0.000 0.481 313 T N -0.326 114.353 114.554 0.209 0.000 3.010 313 T HA 0.134 4.485 4.350 0.001 0.000 0.252 313 T C 1.229 176.059 174.700 0.217 0.000 0.963 313 T CA -0.166 62.097 62.100 0.271 0.000 0.952 313 T CB 0.084 69.035 68.868 0.139 0.000 1.182 313 T HN 0.412 nan 8.240 nan 0.000 0.495 314 E N 1.574 121.827 120.200 0.088 0.000 2.106 314 E HA -0.035 4.315 4.350 0.001 0.000 0.192 314 E C 1.970 178.563 176.600 -0.011 0.000 0.984 314 E CA 1.550 57.969 56.400 0.032 0.000 0.806 314 E CB -0.456 29.250 29.700 0.010 0.000 0.750 314 E HN 0.741 nan 8.360 nan 0.000 0.458 315 I N -1.693 118.801 120.570 -0.126 0.000 2.700 315 I HA -0.168 4.003 4.170 0.001 0.000 0.261 315 I C 1.469 177.459 176.117 -0.213 0.000 1.219 315 I CA 1.319 62.468 61.300 -0.251 0.000 1.463 315 I CB -0.364 37.358 38.000 -0.462 0.000 1.092 315 I HN -0.097 nan 8.210 nan 0.000 0.452 316 F N 1.171 121.198 119.950 0.128 0.000 2.727 316 F HA 0.363 4.891 4.527 0.001 0.000 0.302 316 F C 0.926 176.846 175.800 0.199 0.000 1.097 316 F CA -0.290 57.821 58.000 0.184 0.000 1.330 316 F CB 0.010 39.070 39.000 0.099 0.000 1.084 316 F HN -0.091 nan 8.300 nan 0.000 0.578 317 I N -0.323 120.343 120.570 0.161 0.000 2.607 317 I HA 0.193 4.363 4.170 0.001 0.000 0.305 317 I C 1.353 177.170 176.117 -0.499 0.000 0.995 317 I CA -1.084 60.132 61.300 -0.140 0.000 1.148 317 I CB 1.499 39.453 38.000 -0.077 0.000 1.323 317 I HN -0.118 nan 8.210 nan 0.000 0.461 318 K N 1.598 121.513 120.400 -0.809 0.000 2.160 318 K HA -0.195 4.125 4.320 0.001 0.000 0.206 318 K C 0.461 176.806 176.600 -0.425 0.000 1.047 318 K CA 1.838 57.533 56.287 -0.986 0.000 0.930 318 K CB 0.021 32.170 32.500 -0.585 0.000 0.720 318 K HN 0.696 nan 8.250 nan 0.000 0.450 319 D N -0.753 119.497 120.400 -0.250 0.000 2.525 319 D HA 0.117 4.757 4.640 0.001 0.000 0.229 319 D C -0.196 176.061 176.300 -0.072 0.000 1.202 319 D CA -0.317 53.609 54.000 -0.124 0.000 0.828 319 D CB -0.179 40.564 40.800 -0.096 0.000 1.008 319 D HN 0.036 nan 8.370 nan 0.000 0.493 320 A N 0.895 123.679 122.820 -0.061 0.000 2.520 320 A HA 0.117 4.438 4.320 0.001 0.000 0.235 320 A C 0.480 178.063 177.584 -0.003 0.000 1.065 320 A CA -0.261 51.769 52.037 -0.012 0.000 0.764 320 A CB 0.075 19.092 19.000 0.029 0.000 1.002 320 A HN 0.233 nan 8.150 nan 0.000 0.502 321 N N 1.973 120.672 118.700 -0.001 0.000 2.645 321 N HA 0.286 5.027 4.740 0.001 0.000 0.233 321 N C -0.581 174.933 175.510 0.007 0.000 1.058 321 N CA -0.059 52.994 53.050 0.005 0.000 0.942 321 N CB -0.004 38.489 38.487 0.010 0.000 1.210 321 N HN 0.553 nan 8.380 nan 0.000 0.512 322 L N 2.495 123.718 121.223 0.000 0.000 3.062 322 L HA 0.144 4.484 4.340 0.001 0.000 0.255 322 L C 1.622 178.478 176.870 -0.023 0.000 1.274 322 L CA -0.056 54.774 54.840 -0.018 0.000 1.047 322 L CB 0.077 42.117 42.059 -0.032 0.000 1.402 322 L HN 0.458 nan 8.230 nan 0.000 0.550 323 T N -4.446 110.107 114.554 -0.001 0.000 3.113 323 T HA -0.058 4.293 4.350 0.001 0.000 0.263 323 T C 1.752 176.453 174.700 0.002 0.000 1.143 323 T CA 0.896 62.999 62.100 0.006 0.000 1.090 323 T CB 0.053 68.931 68.868 0.017 0.000 0.922 323 T HN 0.401 nan 8.240 nan 0.000 0.521 324 G N 1.703 110.500 108.800 -0.005 0.000 2.551 324 G HA2 0.179 4.139 3.960 0.001 0.000 0.216 324 G HA3 0.179 4.139 3.960 0.001 0.000 0.216 324 G C 1.329 176.195 174.900 -0.056 0.000 1.137 324 G CA 0.716 45.827 45.100 0.018 0.000 0.798 324 G HN 0.648 nan 8.290 nan 0.000 0.536 325 L N -0.520 120.580 121.223 -0.205 0.000 2.556 325 L HA 0.507 4.848 4.340 0.001 0.000 0.226 325 L C 0.526 177.250 176.870 -0.245 0.000 1.089 325 L CA 0.762 55.288 54.840 -0.523 0.000 0.864 325 L CB 0.313 41.862 42.059 -0.850 0.000 1.067 325 L HN 0.194 nan 8.230 nan 0.000 0.477 326 S N -2.610 113.041 115.700 -0.081 0.000 2.645 326 S HA 0.264 4.734 4.470 0.001 0.000 0.268 326 S C -0.597 174.030 174.600 0.045 0.000 1.110 326 S CA -0.304 57.893 58.200 -0.005 0.000 0.823 326 S CB 0.117 63.350 63.200 0.056 0.000 1.091 326 S HN 0.012 nan 8.310 nan 0.000 0.466 327 D N 1.141 121.580 120.400 0.065 0.000 2.363 327 D HA 0.162 4.802 4.640 0.001 0.000 0.226 327 D C 0.117 176.468 176.300 0.084 0.000 1.020 327 D CA 0.522 54.561 54.000 0.066 0.000 0.892 327 D CB -0.148 40.691 40.800 0.064 0.000 0.900 327 D HN 0.462 nan 8.370 nan 0.000 0.531 328 N N 1.182 119.956 118.700 0.124 0.000 2.439 328 N HA 0.020 4.761 4.740 0.001 0.000 0.243 328 N C 0.333 175.865 175.510 0.035 0.000 1.088 328 N CA 0.022 53.136 53.050 0.108 0.000 0.940 328 N CB 0.474 39.075 38.487 0.191 0.000 1.180 328 N HN -0.051 nan 8.380 nan 0.000 0.505 329 K N 1.895 122.306 120.400 0.018 0.000 2.525 329 K HA 0.043 4.363 4.320 0.001 0.000 0.192 329 K C 0.526 177.117 176.600 -0.015 0.000 1.029 329 K CA 0.448 56.737 56.287 0.003 0.000 1.029 329 K CB 0.528 33.031 32.500 0.005 0.000 0.814 329 K HN 0.588 nan 8.250 nan 0.000 0.503 330 E N 0.557 120.732 120.200 -0.042 0.000 2.489 330 E HA 0.076 4.427 4.350 0.001 0.000 0.193 330 E C 0.076 176.660 176.600 -0.027 0.000 1.057 330 E CA 0.082 56.451 56.400 -0.052 0.000 0.866 330 E CB 0.351 29.998 29.700 -0.088 0.000 0.916 330 E HN 0.251 nan 8.360 nan 0.000 0.500 331 I N 1.655 122.188 120.570 -0.061 0.000 2.396 331 I HA 0.224 4.394 4.170 0.001 0.000 0.292 331 I C -0.133 176.057 176.117 0.121 0.000 0.999 331 I CA -0.447 60.805 61.300 -0.079 0.000 1.310 331 I CB 0.447 38.332 38.000 -0.192 0.000 1.404 331 I HN -0.108 nan 8.210 nan 0.000 0.496 332 F N 4.757 124.620 119.950 -0.144 0.000 2.745 332 F HA 0.586 5.114 4.527 0.001 0.000 0.316 332 F C -1.651 174.097 175.800 -0.086 0.000 1.155 332 F CA -1.439 56.499 58.000 -0.104 0.000 0.937 332 F CB 1.032 39.989 39.000 -0.072 0.000 1.361 332 F HN 0.117 nan 8.300 nan 0.000 0.472 333 L N 2.247 123.430 121.223 -0.067 0.000 2.283 333 L HA 0.376 4.717 4.340 0.001 0.000 0.287 333 L C 0.924 177.777 176.870 -0.029 0.000 1.073 333 L CA 0.553 55.316 54.840 -0.129 0.000 0.822 333 L CB 0.782 42.714 42.059 -0.211 0.000 1.186 333 L HN 0.879 nan 8.230 nan 0.000 0.436 334 S N 3.842 119.423 115.700 -0.199 0.000 2.387 334 S HA 0.248 4.719 4.470 0.001 0.000 0.221 334 S C 0.538 175.163 174.600 0.041 0.000 1.041 334 S CA 0.536 58.654 58.200 -0.136 0.000 0.959 334 S CB 0.169 63.196 63.200 -0.289 0.000 0.843 334 S HN 0.541 nan 8.310 nan 0.000 0.488 335 K N 0.818 121.241 120.400 0.039 0.000 2.498 335 K HA 0.688 5.008 4.320 0.001 0.000 0.254 335 K C -1.508 175.165 176.600 0.122 0.000 0.933 335 K CA -0.441 55.879 56.287 0.054 0.000 0.806 335 K CB 1.805 34.287 32.500 -0.030 0.000 1.301 335 K HN 0.172 nan 8.250 nan 0.000 0.432 336 A N 3.565 126.470 122.820 0.141 0.000 2.335 336 A HA 0.788 5.108 4.320 0.001 0.000 0.304 336 A C -0.776 176.879 177.584 0.118 0.000 1.118 336 A CA -0.697 51.442 52.037 0.169 0.000 0.757 336 A CB 0.422 19.585 19.000 0.272 0.000 1.188 336 A HN 0.629 nan 8.150 nan 0.000 0.460 337 I N 1.536 122.188 120.570 0.138 0.000 2.545 337 I HA 0.464 4.635 4.170 0.001 0.000 0.292 337 I C -0.648 175.601 176.117 0.221 0.000 1.040 337 I CA -0.510 60.872 61.300 0.136 0.000 1.068 337 I CB 2.353 40.410 38.000 0.095 0.000 1.251 337 I HN 0.832 nan 8.210 nan 0.000 0.424 338 H N 5.063 124.191 119.070 0.097 0.000 2.934 338 H HA 0.548 5.105 4.556 0.001 0.000 0.340 338 H C -1.545 173.857 175.328 0.124 0.000 1.008 338 H CA -0.612 55.513 56.048 0.127 0.000 1.317 338 H CB 1.460 31.308 29.762 0.144 0.000 1.670 338 H HN 0.454 nan 8.280 nan 0.000 0.516 339 K N 3.274 123.561 120.400 -0.188 0.000 2.427 339 K HA 0.642 4.963 4.320 0.001 0.000 0.252 339 K C -1.191 175.331 176.600 -0.129 0.000 0.931 339 K CA -0.918 55.322 56.287 -0.078 0.000 0.793 339 K CB 2.354 34.861 32.500 0.012 0.000 1.211 339 K HN 0.533 nan 8.250 nan 0.000 0.426 340 S N 1.449 117.157 115.700 0.014 0.000 2.569 340 S HA 0.605 5.075 4.470 0.001 0.000 0.280 340 S C -1.652 173.063 174.600 0.192 0.000 1.111 340 S CA -0.806 57.447 58.200 0.088 0.000 0.887 340 S CB 1.279 64.552 63.200 0.121 0.000 1.095 340 S HN 0.548 nan 8.310 nan 0.000 0.476 341 F N 2.203 122.180 119.950 0.045 0.000 2.574 341 F HA 0.767 5.295 4.527 0.001 0.000 0.313 341 F C -1.992 173.830 175.800 0.037 0.000 1.130 341 F CA -0.874 57.152 58.000 0.045 0.000 0.936 341 F CB 1.141 40.161 39.000 0.033 0.000 1.219 341 F HN 0.490 nan 8.300 nan 0.000 0.445 342 L N 5.670 126.563 121.223 -0.551 0.000 2.438 342 L HA 0.515 4.856 4.340 0.001 0.000 0.270 342 L C -1.481 174.986 176.870 -0.672 0.000 0.972 342 L CA -0.214 54.395 54.840 -0.385 0.000 0.831 342 L CB 1.917 43.896 42.059 -0.134 0.000 1.273 342 L HN 0.735 nan 8.230 nan 0.000 0.405 343 E N 4.030 123.994 120.200 -0.393 0.000 2.176 343 E HA 0.651 5.002 4.350 0.001 0.000 0.267 343 E C -1.847 174.559 176.600 -0.323 0.000 0.893 343 E CA -0.729 55.476 56.400 -0.326 0.000 0.761 343 E CB 1.871 31.565 29.700 -0.009 0.000 1.133 343 E HN 0.523 nan 8.360 nan 0.000 0.409 344 V N 5.492 125.097 119.914 -0.515 0.000 2.444 344 V HA 0.409 4.529 4.120 0.001 0.000 0.294 344 V C -0.396 175.570 176.094 -0.215 0.000 1.022 344 V CA -0.624 61.434 62.300 -0.404 0.000 0.850 344 V CB 1.212 32.572 31.823 -0.772 0.000 0.992 344 V HN 0.858 nan 8.190 nan 0.000 0.426 345 N N 2.881 121.574 118.700 -0.012 0.000 3.418 345 N HA 0.354 5.095 4.740 0.001 0.000 0.316 345 N C 0.385 176.033 175.510 0.231 0.000 1.601 345 N CA -0.817 52.259 53.050 0.043 0.000 0.805 345 N CB 0.931 39.425 38.487 0.011 0.000 1.873 345 N HN 0.183 nan 8.380 nan 0.000 0.615 346 E N -0.432 119.878 120.200 0.184 0.000 2.150 346 E HA -0.048 4.303 4.350 0.001 0.000 0.193 346 E C 0.770 177.686 176.600 0.526 0.000 0.985 346 E CA 1.327 57.930 56.400 0.337 0.000 0.814 346 E CB -0.040 29.793 29.700 0.222 0.000 0.752 346 E HN 0.594 nan 8.360 nan 0.000 0.466 347 E N -0.841 119.535 120.200 0.294 0.000 2.112 347 E HA 0.160 4.511 4.350 0.001 0.000 0.190 347 E C 0.963 177.582 176.600 0.032 0.000 0.979 347 E CA 0.958 57.474 56.400 0.193 0.000 0.814 347 E CB 0.317 30.056 29.700 0.065 0.000 0.762 347 E HN 0.252 nan 8.360 nan 0.000 0.460 348 G N -1.554 107.112 108.800 -0.223 0.000 2.601 348 G HA2 0.281 4.242 3.960 0.001 0.000 0.080 348 G HA3 0.281 4.242 3.960 0.001 0.000 0.080 348 G C -0.977 173.503 174.900 -0.700 0.000 1.046 348 G CA -0.170 44.326 45.100 -1.008 0.000 1.143 348 G HN 0.020 nan 8.290 nan 0.000 0.507 349 S N -0.315 115.048 115.700 -0.562 0.000 2.541 349 S HA 0.704 5.174 4.470 0.001 0.000 0.271 349 S C -1.415 172.910 174.600 -0.458 0.000 1.133 349 S CA -0.595 57.383 58.200 -0.371 0.000 0.876 349 S CB 2.547 65.642 63.200 -0.174 0.000 1.105 349 S HN 0.715 nan 8.310 nan 0.000 0.470 350 E N 0.608 120.643 120.200 -0.274 0.000 2.246 350 E HA 0.699 5.050 4.350 0.001 0.000 0.266 350 E C -1.508 175.068 176.600 -0.040 0.000 0.880 350 E CA -0.662 55.582 56.400 -0.260 0.000 0.762 350 E CB 1.581 31.206 29.700 -0.125 0.000 1.180 350 E HN 0.783 nan 8.360 nan 0.000 0.416 351 A N 2.430 125.199 122.820 -0.085 0.000 2.515 351 A HA 0.907 5.228 4.320 0.001 0.000 0.298 351 A C -1.567 176.058 177.584 0.068 0.000 1.059 351 A CA -0.167 51.921 52.037 0.085 0.000 0.698 351 A CB 1.886 20.943 19.000 0.095 0.000 1.289 351 A HN 0.604 nan 8.150 nan 0.000 0.404 352 A N 0.180 123.120 122.820 0.199 0.000 2.515 352 A HA 0.996 5.317 4.320 0.001 0.000 0.298 352 A C -0.506 177.166 177.584 0.147 0.000 1.059 352 A CA 0.026 52.180 52.037 0.196 0.000 0.698 352 A CB 1.482 20.627 19.000 0.241 0.000 1.289 352 A HN 2.609 nan 8.150 nan 0.000 0.404 353 A N 0.536 123.422 122.820 0.110 0.000 2.515 353 A HA 0.780 5.101 4.320 0.001 0.000 0.298 353 A C -1.391 176.219 177.584 0.043 0.000 1.059 353 A CA -0.502 51.551 52.037 0.026 0.000 0.698 353 A CB 1.596 20.628 19.000 0.053 0.000 1.289 353 A HN 1.623 nan 8.150 nan 0.000 0.404 354 V N 1.111 120.996 119.914 -0.050 0.000 2.686 354 V HA 0.657 4.777 4.120 0.001 0.000 0.306 354 V C -0.221 175.921 176.094 0.079 0.000 1.065 354 V CA -0.556 61.793 62.300 0.082 0.000 0.894 354 V CB 2.119 34.017 31.823 0.124 0.000 1.004 354 V HN 0.902 nan 8.190 nan 0.000 0.424 355 S N 2.211 118.054 115.700 0.238 0.000 2.473 355 S HA 0.859 5.329 4.470 0.001 0.000 0.307 355 S C 0.139 174.875 174.600 0.226 0.000 1.094 355 S CA -0.560 57.824 58.200 0.306 0.000 1.070 355 S CB 1.901 65.329 63.200 0.379 0.000 1.019 355 S HN 1.165 nan 8.310 nan 0.000 0.480 356 G N 2.237 111.156 108.800 0.198 0.000 2.542 356 G HA2 0.663 4.624 3.960 0.001 0.000 0.311 356 G HA3 0.663 4.624 3.960 0.001 0.000 0.311 356 G C -1.108 173.879 174.900 0.145 0.000 1.298 356 G CA -0.656 44.543 45.100 0.164 0.000 0.973 356 G HN 0.472 nan 8.290 nan 0.000 0.487 357 M N 2.388 122.066 119.600 0.130 0.000 2.197 357 M HA 0.448 4.929 4.480 0.001 0.000 0.301 357 M C -0.960 175.389 176.300 0.082 0.000 0.987 357 M CA -0.477 54.886 55.300 0.105 0.000 0.921 357 M CB 1.714 34.371 32.600 0.094 0.000 1.569 357 M HN 0.312 nan 8.290 nan 0.000 0.431 358 I N 2.496 123.089 120.570 0.039 0.000 2.382 358 I HA 0.614 4.785 4.170 0.001 0.000 0.286 358 I C -0.013 176.039 176.117 -0.109 0.000 1.002 358 I CA -0.700 60.589 61.300 -0.018 0.000 1.135 358 I CB 1.853 39.829 38.000 -0.039 0.000 1.288 358 I HN 0.744 nan 8.210 nan 0.000 0.448 359 A N 8.045 130.780 122.820 -0.141 0.000 2.317 359 A HA 0.914 5.234 4.320 0.001 0.000 0.327 359 A C -0.456 176.951 177.584 -0.294 0.000 1.178 359 A CA -0.507 51.396 52.037 -0.223 0.000 0.817 359 A CB 1.005 19.921 19.000 -0.139 0.000 1.189 359 A HN 0.783 nan 8.150 nan 0.000 0.489 360 I N -0.914 119.386 120.570 -0.449 0.000 3.145 360 I HA 0.796 4.966 4.170 0.001 0.000 0.313 360 I C -0.221 175.602 176.117 -0.489 0.000 1.122 360 I CA -0.768 60.280 61.300 -0.420 0.000 0.987 360 I CB 2.162 39.919 38.000 -0.404 0.000 1.236 360 I HN 0.459 nan 8.210 nan 0.000 0.453 361 S N 1.388 116.843 115.700 -0.409 0.000 2.489 361 S HA 0.543 5.014 4.470 0.001 0.000 0.291 361 S C -0.006 174.570 174.600 -0.040 0.000 1.151 361 S CA -0.836 57.150 58.200 -0.357 0.000 1.082 361 S CB 0.838 63.674 63.200 -0.606 0.000 1.019 361 S HN 0.799 nan 8.310 nan 0.000 0.492 362 R N 0.000 120.578 120.500 0.129 0.000 2.786 362 R HA 0.000 4.341 4.340 0.001 0.000 0.208 362 R CA 0.000 56.199 56.100 0.165 0.000 0.921 362 R CB 0.000 30.372 30.300 0.120 0.000 0.687 362 R HN 0.000 nan 8.270 nan 0.000 0.535