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 3l2b_1_B DATA FIRST_RESID 67 DATA SEQUENCE KLKVEDLEMD KIAPLAPEVS LKMAWNIMRD KNLKSIPVAD GNNHLLGMLS DATA SEQUENCE TSNITATYMD IWDSNILAKS ATSLDNILDT LSAEAQNINE ERKVFPGKVV DATA SEQUENCE VAAMQAESLK EFISEGDIAI AGDRAEIQAE LIELKVSLLI VTGGHTPSKE DATA SEQUENCE IIELAKKNNI TVITTPHDSF TASRLIVQSL PVDYVMTKDN LVAVSTDDLV DATA SEQUENCE EDVKVTMSET RYSNYPVIDE NNKVVGSIAR 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 67 K HA 0.000 nan 4.320 nan 0.000 0.191 67 K C 0.000 176.597 176.600 -0.005 0.000 0.988 67 K CA 0.000 56.284 56.287 -0.004 0.000 0.838 67 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 68 L N 3.458 124.678 121.223 -0.006 0.000 2.361 68 L HA 0.256 4.617 4.340 0.034 0.000 0.278 68 L C 0.261 177.127 176.870 -0.007 0.000 1.113 68 L CA 0.079 54.916 54.840 -0.006 0.000 0.849 68 L CB 0.146 42.201 42.059 -0.006 0.000 1.155 68 L HN 0.344 nan 8.230 nan 0.000 0.452 69 K N 1.900 122.297 120.400 -0.005 0.000 2.177 69 K HA 0.336 4.677 4.320 0.034 0.000 0.238 69 K C 0.877 177.474 176.600 -0.006 0.000 1.015 69 K CA -0.906 55.377 56.287 -0.006 0.000 0.922 69 K CB 1.488 33.987 32.500 -0.003 0.000 1.127 69 K HN 0.203 nan 8.250 nan 0.000 0.469 70 V N 1.524 121.434 119.914 -0.006 0.000 2.515 70 V HA -0.213 3.928 4.120 0.034 0.000 0.250 70 V C 2.082 178.177 176.094 0.001 0.000 1.058 70 V CA 2.021 64.318 62.300 -0.005 0.000 1.064 70 V CB -0.865 30.955 31.823 -0.004 0.000 0.675 70 V HN 0.871 nan 8.190 nan 0.000 0.461 71 E N -0.018 120.184 120.200 0.003 0.000 2.409 71 E HA -0.229 4.141 4.350 0.034 0.000 0.198 71 E C 0.984 177.586 176.600 0.003 0.000 1.024 71 E CA 1.336 57.739 56.400 0.005 0.000 0.861 71 E CB -0.266 29.437 29.700 0.005 0.000 0.788 71 E HN 0.571 nan 8.360 nan 0.000 0.521 72 D N 0.891 121.292 120.400 0.001 0.000 2.349 72 D HA 0.104 4.764 4.640 0.034 0.000 0.215 72 D C 0.575 176.876 176.300 0.001 0.000 1.016 72 D CA 0.279 54.279 54.000 0.001 0.000 0.870 72 D CB 0.304 41.104 40.800 -0.001 0.000 0.917 72 D HN 0.248 nan 8.370 nan 0.000 0.524 73 L N 1.942 123.166 121.223 0.002 0.000 2.357 73 L HA 0.200 4.561 4.340 0.034 0.000 0.273 73 L C 0.978 177.852 176.870 0.006 0.000 1.080 73 L CA -0.783 54.059 54.840 0.003 0.000 0.803 73 L CB 0.999 43.059 42.059 0.002 0.000 1.174 73 L HN -0.025 nan 8.230 nan 0.000 0.443 74 E N 2.863 123.067 120.200 0.007 0.000 2.373 74 E HA 0.362 4.733 4.350 0.034 0.000 0.267 74 E C -1.041 175.566 176.600 0.012 0.000 1.032 74 E CA -0.225 56.180 56.400 0.008 0.000 0.889 74 E CB 1.064 30.768 29.700 0.008 0.000 0.984 74 E HN 0.475 nan 8.360 nan 0.000 0.425 75 M N 1.751 121.359 119.600 0.013 0.000 2.690 75 M HA 0.300 4.801 4.480 0.034 0.000 0.302 75 M C -0.944 175.366 176.300 0.016 0.000 1.234 75 M CA -1.183 54.128 55.300 0.018 0.000 0.853 75 M CB 2.015 34.627 32.600 0.019 0.000 1.748 75 M HN 0.400 nan 8.290 nan 0.000 0.469 76 D N 1.966 122.379 120.400 0.020 0.000 2.350 76 D HA 0.190 4.851 4.640 0.034 0.000 0.249 76 D C -0.440 175.867 176.300 0.011 0.000 1.119 76 D CA -0.028 53.981 54.000 0.015 0.000 0.886 76 D CB 0.923 41.734 40.800 0.018 0.000 1.195 76 D HN 0.170 nan 8.370 nan 0.000 0.437 77 K N 1.318 121.722 120.400 0.006 0.000 2.218 77 K HA 0.468 4.809 4.320 0.034 0.000 0.276 77 K C -0.925 175.675 176.600 0.001 0.000 1.022 77 K CA -0.527 55.762 56.287 0.003 0.000 0.946 77 K CB 0.444 32.944 32.500 -0.000 0.000 1.000 77 K HN 0.364 nan 8.250 nan 0.000 0.468 78 I N 2.636 123.206 120.570 -0.000 0.000 2.651 78 I HA 0.356 4.547 4.170 0.034 0.000 0.287 78 I C -1.511 174.603 176.117 -0.004 0.000 1.244 78 I CA -0.368 60.931 61.300 -0.003 0.000 1.061 78 I CB 1.573 39.573 38.000 -0.000 0.000 1.286 78 I HN 0.633 nan 8.210 nan 0.000 0.434 79 A N 9.039 131.855 122.820 -0.007 0.000 2.350 79 A HA 0.749 5.090 4.320 0.034 0.000 0.293 79 A C -2.453 175.128 177.584 -0.006 0.000 1.231 79 A CA -1.037 50.995 52.037 -0.007 0.000 0.883 79 A CB -0.743 18.252 19.000 -0.009 0.000 1.133 79 A HN 0.523 nan 8.150 nan 0.000 0.533 80 P HA 0.278 nan 4.420 nan 0.000 0.272 80 P C -0.418 176.883 177.300 0.001 0.000 1.223 80 P CA -0.188 62.910 63.100 -0.002 0.000 0.784 80 P CB 0.501 32.199 31.700 -0.003 0.000 0.923 81 L N 1.130 122.356 121.223 0.005 0.000 2.395 81 L HA 0.433 4.794 4.340 0.034 0.000 0.269 81 L C 0.993 177.870 176.870 0.013 0.000 1.133 81 L CA -0.824 54.023 54.840 0.012 0.000 0.812 81 L CB 0.427 42.497 42.059 0.019 0.000 1.125 81 L HN 0.410 nan 8.230 nan 0.000 0.452 82 A N 4.266 127.095 122.820 0.016 0.000 2.386 82 A HA 0.341 4.682 4.320 0.034 0.000 0.248 82 A C -1.521 176.078 177.584 0.025 0.000 1.082 82 A CA -1.064 50.984 52.037 0.018 0.000 0.789 82 A CB -0.084 18.927 19.000 0.018 0.000 1.025 82 A HN 0.646 nan 8.150 nan 0.000 0.490 83 P HA -0.103 nan 4.420 nan 0.000 0.225 83 P C 0.770 178.095 177.300 0.040 0.000 1.156 83 P CA 1.153 64.273 63.100 0.033 0.000 0.787 83 P CB 0.221 31.940 31.700 0.032 0.000 0.802 84 E N -0.176 120.047 120.200 0.037 0.000 2.474 84 E HA 0.042 4.413 4.350 0.034 0.000 0.194 84 E C 0.507 177.134 176.600 0.045 0.000 1.041 84 E CA 0.022 56.447 56.400 0.040 0.000 0.874 84 E CB -0.639 29.081 29.700 0.033 0.000 0.914 84 E HN -0.009 nan 8.360 nan 0.000 0.498 85 V N 3.367 123.307 119.914 0.043 0.000 2.763 85 V HA -0.036 4.104 4.120 0.034 0.000 0.306 85 V C 0.865 176.995 176.094 0.061 0.000 1.059 85 V CA 0.388 62.717 62.300 0.048 0.000 1.138 85 V CB 0.997 32.847 31.823 0.044 0.000 0.940 85 V HN 0.404 nan 8.190 nan 0.000 0.489 86 S N 5.295 121.035 115.700 0.067 0.000 2.579 86 S HA 0.250 4.741 4.470 0.034 0.000 0.275 86 S C 1.054 175.714 174.600 0.099 0.000 1.345 86 S CA -0.584 57.664 58.200 0.081 0.000 1.031 86 S CB 0.503 63.750 63.200 0.078 0.000 0.892 86 S HN 0.510 nan 8.310 nan 0.000 0.529 87 L N 1.189 122.480 121.223 0.114 0.000 2.079 87 L HA -0.156 4.205 4.340 0.034 0.000 0.210 87 L C 2.792 179.772 176.870 0.184 0.000 1.081 87 L CA 1.899 56.821 54.840 0.137 0.000 0.752 87 L CB -0.706 41.438 42.059 0.141 0.000 0.896 87 L HN 0.885 nan 8.230 nan 0.000 0.433 88 K N 0.634 121.133 120.400 0.164 0.000 2.009 88 K HA -0.215 4.126 4.320 0.034 0.000 0.210 88 K C 2.210 178.914 176.600 0.174 0.000 1.049 88 K CA 1.637 58.031 56.287 0.179 0.000 0.929 88 K CB -0.108 32.464 32.500 0.119 0.000 0.714 88 K HN 0.175 nan 8.250 nan 0.000 0.440 89 M N 0.318 119.989 119.600 0.119 0.000 2.108 89 M HA -0.176 4.325 4.480 0.034 0.000 0.261 89 M C 2.381 178.736 176.300 0.091 0.000 1.066 89 M CA 1.746 57.098 55.300 0.086 0.000 1.107 89 M CB -0.321 32.317 32.600 0.063 0.000 1.356 89 M HN 0.360 nan 8.290 nan 0.000 0.406 90 A N -0.194 122.697 122.820 0.118 0.000 1.902 90 A HA -0.226 4.115 4.320 0.034 0.000 0.217 90 A C 2.018 179.702 177.584 0.167 0.000 1.181 90 A CA 1.253 53.361 52.037 0.117 0.000 0.623 90 A CB -1.252 17.818 19.000 0.117 0.000 0.818 90 A HN 0.837 nan 8.150 nan 0.000 0.443 91 W N 0.964 122.278 121.300 0.023 0.000 2.388 91 W HA -0.175 4.501 4.660 0.025 0.000 0.294 91 W C 1.412 177.942 176.519 0.020 0.000 1.212 91 W CA 1.537 58.896 57.345 0.024 0.000 1.271 91 W CB -0.236 29.250 29.460 0.042 0.000 1.126 91 W HN 0.389 nan 8.180 nan 0.000 0.535 92 N N 1.087 119.759 118.700 -0.047 0.000 2.166 92 N HA -0.190 4.571 4.740 0.034 0.000 0.186 92 N C 1.663 177.064 175.510 -0.182 0.000 1.019 92 N CA 2.119 55.069 53.050 -0.166 0.000 0.856 92 N CB -0.840 37.626 38.487 -0.035 0.000 0.993 92 N HN 0.261 nan 8.380 nan 0.000 0.426 93 I N 0.251 120.761 120.570 -0.100 0.000 2.286 93 I HA -0.193 3.998 4.170 0.034 0.000 0.245 93 I C 2.003 178.041 176.117 -0.132 0.000 1.104 93 I CA 0.859 62.108 61.300 -0.086 0.000 1.397 93 I CB -0.145 37.836 38.000 -0.031 0.000 1.072 93 I HN 0.089 nan 8.210 nan 0.000 0.417 94 M N -0.192 119.317 119.600 -0.153 0.000 2.117 94 M HA -0.208 4.293 4.480 0.034 0.000 0.262 94 M C 2.472 178.587 176.300 -0.308 0.000 1.065 94 M CA 1.844 57.042 55.300 -0.170 0.000 1.114 94 M CB -0.427 32.133 32.600 -0.067 0.000 1.361 94 M HN 0.087 nan 8.290 nan 0.000 0.408 95 R N 0.345 120.512 120.500 -0.556 0.000 2.070 95 R HA -0.140 4.220 4.340 0.034 0.000 0.233 95 R C 1.777 177.912 176.300 -0.276 0.000 1.137 95 R CA 1.645 57.431 56.100 -0.523 0.000 0.945 95 R CB -0.455 29.432 30.300 -0.689 0.000 0.845 95 R HN 0.298 nan 8.270 nan 0.000 0.430 96 D N 0.393 120.655 120.400 -0.230 0.000 2.190 96 D HA -0.159 4.502 4.640 0.034 0.000 0.200 96 D C 1.104 177.342 176.300 -0.104 0.000 0.992 96 D CA 1.465 55.381 54.000 -0.139 0.000 0.854 96 D CB 0.057 40.793 40.800 -0.107 0.000 0.936 96 D HN 0.242 nan 8.370 nan 0.000 0.462 97 K N -0.539 119.798 120.400 -0.106 0.000 2.358 97 K HA 0.118 4.459 4.320 0.034 0.000 0.200 97 K C 0.039 176.599 176.600 -0.067 0.000 1.030 97 K CA -0.174 56.070 56.287 -0.071 0.000 1.097 97 K CB 0.423 32.890 32.500 -0.055 0.000 0.862 97 K HN -0.076 nan 8.250 nan 0.000 0.534 98 N N 1.484 120.127 118.700 -0.094 0.000 2.738 98 N HA -0.171 4.590 4.740 0.034 0.000 0.249 98 N C -1.397 174.084 175.510 -0.047 0.000 1.047 98 N CA 0.265 53.270 53.050 -0.075 0.000 0.707 98 N CB -1.041 37.418 38.487 -0.047 0.000 0.937 98 N HN 0.158 nan 8.380 nan 0.000 0.545 99 L N 0.358 121.549 121.223 -0.054 0.000 2.282 99 L HA 0.315 4.675 4.340 0.034 0.000 0.288 99 L C 1.430 178.306 176.870 0.010 0.000 1.033 99 L CA -0.755 54.073 54.840 -0.020 0.000 0.807 99 L CB 1.457 43.504 42.059 -0.021 0.000 1.209 99 L HN 0.135 nan 8.230 nan 0.000 0.423 100 K N 0.946 121.361 120.400 0.026 0.000 2.243 100 K HA 0.051 4.392 4.320 0.034 0.000 0.201 100 K C 0.433 177.062 176.600 0.048 0.000 1.051 100 K CA 0.553 56.874 56.287 0.056 0.000 0.970 100 K CB 0.226 32.750 32.500 0.041 0.000 0.755 100 K HN 0.706 nan 8.250 nan 0.000 0.465 101 S N -0.186 115.523 115.700 0.015 0.000 2.579 101 S HA 0.628 5.119 4.470 0.034 0.000 0.272 101 S C -1.132 173.462 174.600 -0.011 0.000 1.141 101 S CA -1.044 57.153 58.200 -0.005 0.000 0.843 101 S CB 1.921 65.092 63.200 -0.049 0.000 1.122 101 S HN 0.159 nan 8.310 nan 0.000 0.468 102 I N 1.313 121.874 120.570 -0.014 0.000 2.692 102 I HA 0.534 4.724 4.170 0.034 0.000 0.293 102 I C -2.899 173.207 176.117 -0.018 0.000 1.200 102 I CA -2.572 58.721 61.300 -0.012 0.000 1.036 102 I CB 2.687 40.688 38.000 0.002 0.000 1.258 102 I HN 0.537 nan 8.210 nan 0.000 0.421 103 P HA 0.183 nan 4.420 nan 0.000 0.274 103 P C -1.132 176.164 177.300 -0.006 0.000 1.231 103 P CA -0.144 62.946 63.100 -0.017 0.000 0.790 103 P CB 1.222 32.915 31.700 -0.011 0.000 0.951 104 V N 1.699 121.610 119.914 -0.005 0.000 2.459 104 V HA 0.716 4.856 4.120 0.034 0.000 0.295 104 V C 0.298 176.398 176.094 0.010 0.000 1.029 104 V CA -0.540 61.762 62.300 0.004 0.000 0.874 104 V CB 1.076 32.902 31.823 0.004 0.000 0.985 104 V HN 0.825 nan 8.190 nan 0.000 0.438 105 A N 3.263 126.091 122.820 0.014 0.000 2.498 105 A HA 0.822 5.163 4.320 0.034 0.000 0.298 105 A C -0.684 176.913 177.584 0.021 0.000 1.075 105 A CA -0.714 51.336 52.037 0.021 0.000 0.714 105 A CB 1.549 20.554 19.000 0.009 0.000 1.299 105 A HN 0.880 nan 8.150 nan 0.000 0.407 106 D N 0.456 120.878 120.400 0.036 0.000 2.414 106 D HA 0.347 5.008 4.640 0.034 0.000 0.259 106 D C 1.324 177.626 176.300 0.004 0.000 1.269 106 D CA 0.315 54.336 54.000 0.034 0.000 1.028 106 D CB 0.005 40.845 40.800 0.067 0.000 1.093 106 D HN 0.518 nan 8.370 nan 0.000 0.545 107 G N -1.071 107.732 108.800 0.006 0.000 2.498 107 G HA2 -0.225 3.755 3.960 0.034 0.000 0.219 107 G HA3 -0.225 3.755 3.960 0.034 0.000 0.219 107 G C 0.939 175.813 174.900 -0.043 0.000 1.119 107 G CA 0.182 45.276 45.100 -0.011 0.000 0.766 107 G HN 0.469 nan 8.290 nan 0.000 0.552 108 N N 0.521 119.178 118.700 -0.072 0.000 2.235 108 N HA 0.034 4.794 4.740 0.034 0.000 0.209 108 N C 0.903 176.210 175.510 -0.337 0.000 1.122 108 N CA 0.006 52.943 53.050 -0.189 0.000 0.845 108 N CB -0.117 38.252 38.487 -0.197 0.000 1.004 108 N HN 0.489 nan 8.380 nan 0.000 0.499 109 N N 0.629 119.217 118.700 -0.185 0.000 2.878 109 N HA -0.191 4.570 4.740 0.034 0.000 0.247 109 N C -1.070 174.360 175.510 -0.133 0.000 1.021 109 N CA 0.348 53.311 53.050 -0.145 0.000 0.873 109 N CB -0.936 37.465 38.487 -0.143 0.000 1.128 109 N HN 0.321 nan 8.380 nan 0.000 0.571 110 H N 1.216 120.287 119.070 0.002 0.000 2.848 110 H HA 0.116 4.692 4.556 0.034 0.000 0.317 110 H C 0.429 175.758 175.328 0.000 0.000 1.046 110 H CA -0.103 55.946 56.048 0.002 0.000 1.470 110 H CB 0.971 30.735 29.762 0.002 0.000 1.483 110 H HN 0.191 nan 8.280 nan 0.000 0.548 111 L N 4.394 125.693 121.223 0.127 0.000 2.513 111 L HA -0.069 4.292 4.340 0.034 0.000 0.272 111 L C 0.549 177.449 176.870 0.050 0.000 1.187 111 L CA 0.549 55.427 54.840 0.062 0.000 0.895 111 L CB -0.033 42.051 42.059 0.043 0.000 1.147 111 L HN 0.620 nan 8.230 nan 0.000 0.483 112 L N 4.393 125.635 121.223 0.032 0.000 2.500 112 L HA 0.478 4.839 4.340 0.034 0.000 0.219 112 L C 1.026 177.896 176.870 -0.000 0.000 1.057 112 L CA 0.463 55.315 54.840 0.019 0.000 0.854 112 L CB 0.000 42.073 42.059 0.023 0.000 1.078 112 L HN 0.848 nan 8.230 nan 0.000 0.480 113 G N -0.484 108.311 108.800 -0.008 0.000 2.325 113 G HA2 0.372 4.353 3.960 0.034 0.000 0.295 113 G HA3 0.372 4.353 3.960 0.034 0.000 0.295 113 G C -1.920 172.956 174.900 -0.040 0.000 1.274 113 G CA -0.514 44.568 45.100 -0.029 0.000 0.857 113 G HN -0.159 nan 8.290 nan 0.000 0.499 114 M N 0.070 119.634 119.600 -0.060 0.000 2.446 114 M HA 0.780 5.280 4.480 0.034 0.000 0.294 114 M C -2.070 174.191 176.300 -0.065 0.000 1.158 114 M CA -0.936 54.322 55.300 -0.070 0.000 0.899 114 M CB 2.311 34.842 32.600 -0.115 0.000 1.687 114 M HN 0.651 nan 8.290 nan 0.000 0.455 115 L N 4.087 125.283 121.223 -0.044 0.000 2.313 115 L HA 0.830 5.191 4.340 0.034 0.000 0.283 115 L C -0.899 175.958 176.870 -0.021 0.000 1.013 115 L CA 0.264 55.086 54.840 -0.030 0.000 0.816 115 L CB 1.812 43.871 42.059 0.000 0.000 1.236 115 L HN 0.836 nan 8.230 nan 0.000 0.419 116 S N 0.722 116.404 115.700 -0.030 0.000 2.651 116 S HA 0.412 4.903 4.470 0.034 0.000 0.279 116 S C 0.781 175.371 174.600 -0.016 0.000 1.148 116 S CA 0.081 58.276 58.200 -0.008 0.000 0.837 116 S CB 1.230 64.410 63.200 -0.032 0.000 1.138 116 S HN 0.764 nan 8.310 nan 0.000 0.478 117 T N -0.767 113.796 114.554 0.015 0.000 3.007 117 T HA -0.080 4.291 4.350 0.034 0.000 0.270 117 T C 1.942 176.593 174.700 -0.082 0.000 1.107 117 T CA 1.616 63.688 62.100 -0.046 0.000 1.118 117 T CB -1.027 67.840 68.868 -0.002 0.000 0.889 117 T HN 0.936 nan 8.240 nan 0.000 0.506 118 S N 2.444 118.112 115.700 -0.053 0.000 2.355 118 S HA -0.169 4.321 4.470 0.034 0.000 0.222 118 S C 1.876 176.422 174.600 -0.089 0.000 1.031 118 S CA 1.234 59.400 58.200 -0.057 0.000 0.993 118 S CB -0.979 62.203 63.200 -0.030 0.000 0.859 118 S HN 0.698 nan 8.310 nan 0.000 0.453 119 N N 1.898 120.540 118.700 -0.098 0.000 2.069 119 N HA 0.007 4.767 4.740 0.034 0.000 0.191 119 N C 1.792 177.184 175.510 -0.196 0.000 1.031 119 N CA 1.831 54.806 53.050 -0.125 0.000 0.852 119 N CB -0.501 37.921 38.487 -0.109 0.000 1.018 119 N HN 0.402 nan 8.380 nan 0.000 0.423 120 I N 0.374 120.799 120.570 -0.242 0.000 2.226 120 I HA -0.237 3.954 4.170 0.034 0.000 0.245 120 I C 2.018 177.778 176.117 -0.596 0.000 1.100 120 I CA 1.075 62.100 61.300 -0.458 0.000 1.374 120 I CB -0.423 37.327 38.000 -0.416 0.000 1.057 120 I HN 0.194 nan 8.210 nan 0.000 0.413 121 T N 0.638 114.999 114.554 -0.322 0.000 2.777 121 T HA -0.096 4.275 4.350 0.034 0.000 0.266 121 T C 2.056 176.683 174.700 -0.123 0.000 1.040 121 T CA 1.352 63.341 62.100 -0.185 0.000 1.141 121 T CB -0.258 68.550 68.868 -0.101 0.000 0.868 121 T HN 0.460 nan 8.240 nan 0.000 0.444 122 A N 1.162 123.909 122.820 -0.123 0.000 1.972 122 A HA -0.117 4.223 4.320 0.034 0.000 0.219 122 A C 2.511 180.061 177.584 -0.057 0.000 1.169 122 A CA 1.970 53.965 52.037 -0.070 0.000 0.635 122 A CB -1.102 17.857 19.000 -0.070 0.000 0.810 122 A HN 0.466 nan 8.150 nan 0.000 0.446 123 T N -1.126 113.346 114.554 -0.136 0.000 2.777 123 T HA -0.092 4.279 4.350 0.034 0.000 0.266 123 T C 1.714 176.487 174.700 0.121 0.000 1.040 123 T CA 1.541 63.601 62.100 -0.065 0.000 1.141 123 T CB -0.385 68.383 68.868 -0.166 0.000 0.868 123 T HN 0.538 nan 8.240 nan 0.000 0.444 124 Y N 0.752 121.072 120.300 0.032 0.000 2.314 124 Y HA 0.151 4.723 4.550 0.038 0.000 0.293 124 Y C 2.328 178.249 175.900 0.035 0.000 1.129 124 Y CA 0.042 58.162 58.100 0.034 0.000 1.201 124 Y CB -0.555 37.889 38.460 -0.028 0.000 0.999 124 Y HN 0.181 nan 8.280 nan 0.000 0.541 125 M N -0.761 118.936 119.600 0.162 0.000 2.435 125 M HA 0.057 4.557 4.480 0.034 0.000 0.265 125 M C -0.284 176.069 176.300 0.089 0.000 1.104 125 M CA 0.642 56.001 55.300 0.097 0.000 1.140 125 M CB -0.507 32.125 32.600 0.054 0.000 1.372 125 M HN -0.043 nan 8.290 nan 0.000 0.456 126 D N 0.923 121.379 120.400 0.094 0.000 2.225 126 D HA 0.251 4.911 4.640 0.034 0.000 0.249 126 D C 0.310 176.685 176.300 0.124 0.000 1.052 126 D CA -0.490 53.558 54.000 0.081 0.000 0.909 126 D CB 1.569 42.395 40.800 0.044 0.000 1.186 126 D HN -0.092 nan 8.370 nan 0.000 0.431 127 I N 1.376 122.010 120.570 0.107 0.000 3.214 127 I HA -0.243 3.947 4.170 0.034 0.000 0.332 127 I C 0.460 176.695 176.117 0.197 0.000 1.225 127 I CA 0.415 61.798 61.300 0.140 0.000 1.453 127 I CB -0.448 37.608 38.000 0.094 0.000 1.321 127 I HN 0.395 nan 8.210 nan 0.000 0.518 128 W N 7.732 129.056 121.300 0.041 0.000 2.388 128 W HA 0.115 4.798 4.660 0.037 0.000 0.308 128 W C 0.733 177.282 176.519 0.049 0.000 1.263 128 W CA -0.228 57.147 57.345 0.051 0.000 1.286 128 W CB 0.212 29.695 29.460 0.038 0.000 1.294 128 W HN 0.472 nan 8.180 nan 0.000 0.493 129 D N 3.241 123.504 120.400 -0.228 0.000 2.458 129 D HA -0.085 4.576 4.640 0.034 0.000 0.243 129 D C 1.316 177.267 176.300 -0.582 0.000 1.146 129 D CA 0.600 54.434 54.000 -0.277 0.000 0.877 129 D CB 1.354 42.011 40.800 -0.239 0.000 1.176 129 D HN 0.536 nan 8.370 nan 0.000 0.461 130 S N 3.151 118.726 115.700 -0.208 0.000 2.383 130 S HA -0.163 4.328 4.470 0.034 0.000 0.227 130 S C 1.019 175.478 174.600 -0.235 0.000 1.026 130 S CA 0.639 58.797 58.200 -0.071 0.000 0.981 130 S CB -0.204 63.078 63.200 0.137 0.000 0.818 130 S HN 0.550 nan 8.310 nan 0.000 0.472 131 N N 0.862 119.425 118.700 -0.228 0.000 2.455 131 N HA 0.426 5.187 4.740 0.034 0.000 0.258 131 N C 0.767 176.103 175.510 -0.290 0.000 1.158 131 N CA -0.110 52.831 53.050 -0.182 0.000 0.893 131 N CB 0.053 38.484 38.487 -0.093 0.000 1.173 131 N HN 0.344 nan 8.380 nan 0.000 0.503 132 I N 0.222 120.480 120.570 -0.519 0.000 2.361 132 I HA -0.237 3.954 4.170 0.034 0.000 0.251 132 I C 1.421 177.292 176.117 -0.410 0.000 1.133 132 I CA 1.155 62.137 61.300 -0.529 0.000 1.413 132 I CB 0.247 37.796 38.000 -0.752 0.000 1.073 132 I HN 0.342 nan 8.210 nan 0.000 0.424 133 L N 0.147 121.226 121.223 -0.240 0.000 2.093 133 L HA -0.145 4.216 4.340 0.034 0.000 0.208 133 L C 2.750 179.555 176.870 -0.108 0.000 1.085 133 L CA 1.112 55.887 54.840 -0.109 0.000 0.755 133 L CB -0.824 41.254 42.059 0.032 0.000 0.904 133 L HN 0.275 nan 8.230 nan 0.000 0.435 134 A N 0.488 123.241 122.820 -0.112 0.000 1.855 134 A HA -0.196 4.144 4.320 0.034 0.000 0.215 134 A C 2.300 179.784 177.584 -0.168 0.000 1.191 134 A CA 1.529 53.507 52.037 -0.099 0.000 0.613 134 A CB -0.330 18.627 19.000 -0.071 0.000 0.829 134 A HN 0.278 nan 8.150 nan 0.000 0.442 135 K N 0.503 120.752 120.400 -0.251 0.000 2.211 135 K HA -0.090 4.251 4.320 0.034 0.000 0.203 135 K C 2.060 178.376 176.600 -0.473 0.000 1.050 135 K CA 1.490 57.611 56.287 -0.277 0.000 0.945 135 K CB -0.140 32.228 32.500 -0.220 0.000 0.732 135 K HN 0.652 nan 8.250 nan 0.000 0.451 136 S N 0.055 115.327 115.700 -0.713 0.000 2.528 136 S HA 0.213 4.703 4.470 0.034 0.000 0.219 136 S C 1.018 175.489 174.600 -0.215 0.000 0.985 136 S CA 0.205 58.013 58.200 -0.653 0.000 0.914 136 S CB 0.298 63.084 63.200 -0.690 0.000 0.776 136 S HN 0.258 nan 8.310 nan 0.000 0.526 137 A N 1.023 123.745 122.820 -0.164 0.000 2.745 137 A HA -0.148 4.193 4.320 0.034 0.000 0.296 137 A C 0.464 178.034 177.584 -0.023 0.000 1.500 137 A CA 0.867 52.861 52.037 -0.072 0.000 0.766 137 A CB -2.795 16.174 19.000 -0.050 0.000 1.030 137 A HN 0.555 nan 8.150 nan 0.000 0.489 138 T N 1.966 116.514 114.554 -0.010 0.000 2.908 138 T HA 0.379 4.750 4.350 0.034 0.000 0.301 138 T C 0.967 175.755 174.700 0.147 0.000 1.019 138 T CA 0.700 62.834 62.100 0.058 0.000 1.152 138 T CB 0.567 69.469 68.868 0.056 0.000 0.966 138 T HN 1.562 nan 8.240 nan 0.000 0.540 139 S N 3.111 118.888 115.700 0.129 0.000 2.672 139 S HA 0.345 4.835 4.470 0.034 0.000 0.276 139 S C 1.196 175.934 174.600 0.229 0.000 1.207 139 S CA -1.007 57.292 58.200 0.164 0.000 1.002 139 S CB 0.852 64.106 63.200 0.090 0.000 0.998 139 S HN 0.483 nan 8.310 nan 0.000 0.542 140 L N 0.927 122.329 121.223 0.298 0.000 2.083 140 L HA 0.004 4.365 4.340 0.034 0.000 0.209 140 L C 1.696 178.630 176.870 0.106 0.000 1.083 140 L CA 1.998 56.979 54.840 0.235 0.000 0.752 140 L CB -1.146 41.078 42.059 0.275 0.000 0.899 140 L HN 0.775 nan 8.230 nan 0.000 0.433 141 D N -0.458 119.998 120.400 0.093 0.000 2.144 141 D HA -0.168 4.492 4.640 0.034 0.000 0.199 141 D C 1.875 178.206 176.300 0.052 0.000 0.984 141 D CA 1.071 55.107 54.000 0.060 0.000 0.834 141 D CB -0.210 40.621 40.800 0.051 0.000 0.955 141 D HN 0.370 nan 8.370 nan 0.000 0.465 142 N N 0.397 119.133 118.700 0.060 0.000 2.120 142 N HA -0.054 4.706 4.740 0.034 0.000 0.188 142 N C 1.977 177.510 175.510 0.038 0.000 1.024 142 N CA 0.462 53.544 53.050 0.052 0.000 0.852 142 N CB -0.214 38.309 38.487 0.060 0.000 1.003 142 N HN 0.264 nan 8.380 nan 0.000 0.424 143 I N 0.177 120.761 120.570 0.024 0.000 2.315 143 I HA -0.184 4.006 4.170 0.034 0.000 0.248 143 I C 1.877 177.991 176.117 -0.005 0.000 1.117 143 I CA 0.687 61.979 61.300 -0.014 0.000 1.404 143 I CB -0.130 37.815 38.000 -0.091 0.000 1.071 143 I HN 0.092 nan 8.210 nan 0.000 0.419 144 L N 0.225 121.452 121.223 0.007 0.000 2.056 144 L HA -0.215 4.146 4.340 0.034 0.000 0.207 144 L C 2.137 179.022 176.870 0.025 0.000 1.078 144 L CA 1.312 56.160 54.840 0.013 0.000 0.749 144 L CB -0.553 41.518 42.059 0.020 0.000 0.901 144 L HN 0.270 nan 8.230 nan 0.000 0.433 145 D N -0.917 119.502 120.400 0.031 0.000 2.183 145 D HA -0.124 4.536 4.640 0.034 0.000 0.203 145 D C 2.084 178.411 176.300 0.046 0.000 0.969 145 D CA 1.513 55.535 54.000 0.037 0.000 0.842 145 D CB 0.014 40.837 40.800 0.038 0.000 0.957 145 D HN 0.299 nan 8.370 nan 0.000 0.484 146 T N 1.052 115.631 114.554 0.041 0.000 2.857 146 T HA 0.021 4.391 4.350 0.034 0.000 0.266 146 T C 1.970 176.700 174.700 0.049 0.000 1.048 146 T CA 0.435 62.559 62.100 0.039 0.000 1.139 146 T CB 0.049 68.932 68.868 0.026 0.000 0.874 146 T HN 0.120 nan 8.240 nan 0.000 0.455 147 L N 1.254 122.514 121.223 0.060 0.000 2.612 147 L HA 0.202 4.563 4.340 0.034 0.000 0.230 147 L C 0.677 177.646 176.870 0.166 0.000 1.140 147 L CA -0.159 54.761 54.840 0.132 0.000 0.896 147 L CB -0.482 41.625 42.059 0.079 0.000 1.065 147 L HN 0.111 nan 8.230 nan 0.000 0.447 148 S N 0.647 116.410 115.700 0.105 0.000 3.491 148 S HA -0.197 4.294 4.470 0.034 0.000 0.371 148 S C 0.497 175.098 174.600 0.000 0.000 0.980 148 S CA 0.508 58.734 58.200 0.043 0.000 1.204 148 S CB -1.153 62.065 63.200 0.030 0.000 0.915 148 S HN 0.561 nan 8.310 nan 0.000 0.482 149 A N 0.647 123.474 122.820 0.012 0.000 2.281 149 A HA 0.764 5.105 4.320 0.034 0.000 0.329 149 A C 0.120 177.701 177.584 -0.004 0.000 1.122 149 A CA -0.651 51.385 52.037 -0.002 0.000 0.850 149 A CB 0.927 19.929 19.000 0.003 0.000 1.207 149 A HN 0.472 nan 8.150 nan 0.000 0.495 150 E N -0.128 120.067 120.200 -0.009 0.000 2.266 150 E HA 0.551 4.922 4.350 0.034 0.000 0.268 150 E C -0.712 175.889 176.600 0.002 0.000 0.879 150 E CA -0.861 55.537 56.400 -0.003 0.000 0.762 150 E CB 2.216 31.911 29.700 -0.008 0.000 1.199 150 E HN 0.802 nan 8.360 nan 0.000 0.422 151 A N 1.992 124.818 122.820 0.009 0.000 2.328 151 A HA 0.218 4.559 4.320 0.034 0.000 0.284 151 A C 0.139 177.732 177.584 0.015 0.000 1.160 151 A CA -0.222 51.824 52.037 0.015 0.000 0.818 151 A CB 0.727 19.743 19.000 0.026 0.000 1.087 151 A HN 0.597 nan 8.150 nan 0.000 0.504 152 Q N 0.469 120.279 119.800 0.016 0.000 2.352 152 Q HA 0.200 4.561 4.340 0.034 0.000 0.212 152 Q C -0.161 175.851 176.000 0.020 0.000 0.888 152 Q CA 0.547 56.360 55.803 0.016 0.000 0.934 152 Q CB 0.532 29.279 28.738 0.015 0.000 1.093 152 Q HN 0.806 nan 8.270 nan 0.000 0.523 153 N N -0.487 118.229 118.700 0.026 0.000 2.516 153 N HA 0.398 5.159 4.740 0.034 0.000 0.268 153 N C -1.967 173.569 175.510 0.043 0.000 1.096 153 N CA -0.311 52.758 53.050 0.031 0.000 0.954 153 N CB 1.248 39.753 38.487 0.030 0.000 1.676 153 N HN -0.081 nan 8.380 nan 0.000 0.490 154 I N 1.740 122.337 120.570 0.044 0.000 2.466 154 I HA 0.353 4.543 4.170 0.034 0.000 0.289 154 I C -0.278 175.869 176.117 0.050 0.000 1.026 154 I CA -0.940 60.396 61.300 0.060 0.000 1.078 154 I CB 1.755 39.788 38.000 0.055 0.000 1.249 154 I HN 0.474 nan 8.210 nan 0.000 0.429 155 N N 5.803 124.539 118.700 0.060 0.000 2.400 155 N HA 0.022 4.783 4.740 0.034 0.000 0.267 155 N C 0.645 176.164 175.510 0.016 0.000 1.208 155 N CA 0.317 53.387 53.050 0.033 0.000 0.951 155 N CB 0.727 39.232 38.487 0.030 0.000 1.227 155 N HN 0.479 nan 8.380 nan 0.000 0.488 156 E N 1.925 122.131 120.200 0.009 0.000 2.502 156 E HA -0.028 4.343 4.350 0.034 0.000 0.194 156 E C -0.028 176.563 176.600 -0.015 0.000 1.062 156 E CA 0.438 56.840 56.400 0.003 0.000 0.867 156 E CB 0.459 30.163 29.700 0.007 0.000 0.888 156 E HN 0.626 nan 8.360 nan 0.000 0.510 157 E N 0.496 120.681 120.200 -0.024 0.000 2.498 157 E HA 0.057 4.428 4.350 0.034 0.000 0.203 157 E C 0.469 177.031 176.600 -0.064 0.000 1.013 157 E CA -0.070 56.309 56.400 -0.035 0.000 0.927 157 E CB 0.496 30.181 29.700 -0.026 0.000 1.012 157 E HN 0.056 nan 8.360 nan 0.000 0.482 158 R N 1.330 121.776 120.500 -0.092 0.000 2.294 158 R HA 0.223 4.584 4.340 0.034 0.000 0.319 158 R C 0.723 176.889 176.300 -0.223 0.000 0.984 158 R CA -0.177 55.818 56.100 -0.175 0.000 0.861 158 R CB 0.748 30.911 30.300 -0.228 0.000 1.104 158 R HN -0.199 nan 8.270 nan 0.000 0.451 159 K N 2.167 122.431 120.400 -0.227 0.000 2.244 159 K HA 0.151 4.492 4.320 0.034 0.000 0.200 159 K C -0.044 176.350 176.600 -0.344 0.000 1.052 159 K CA 0.355 56.515 56.287 -0.211 0.000 0.980 159 K CB 0.742 33.169 32.500 -0.121 0.000 0.838 159 K HN 0.234 nan 8.250 nan 0.000 0.481 160 V N 2.093 121.764 119.914 -0.405 0.000 2.540 160 V HA 0.291 4.432 4.120 0.034 0.000 0.302 160 V C -1.107 174.680 176.094 -0.511 0.000 1.035 160 V CA -0.832 61.247 62.300 -0.369 0.000 0.873 160 V CB 1.365 33.085 31.823 -0.171 0.000 0.992 160 V HN 0.021 nan 8.190 nan 0.000 0.428 161 F N 6.532 126.468 119.950 -0.024 0.000 2.375 161 F HA 0.409 4.958 4.527 0.037 0.000 0.362 161 F C -1.276 174.511 175.800 -0.023 0.000 1.129 161 F CA -2.154 55.838 58.000 -0.014 0.000 1.154 161 F CB 1.131 40.128 39.000 -0.004 0.000 1.205 161 F HN 0.370 nan 8.300 nan 0.000 0.513 162 P HA 0.101 nan 4.420 nan 0.000 0.234 162 P C 0.901 178.226 177.300 0.041 0.000 1.175 162 P CA 0.539 63.657 63.100 0.030 0.000 0.801 162 P CB 0.558 32.260 31.700 0.003 0.000 0.891 163 G N 0.976 109.821 108.800 0.076 0.000 2.574 163 G HA2 0.379 4.360 3.960 0.034 0.000 0.248 163 G HA3 0.379 4.360 3.960 0.034 0.000 0.248 163 G C -0.431 174.519 174.900 0.083 0.000 1.422 163 G CA -0.501 44.641 45.100 0.070 0.000 1.051 163 G HN 0.172 nan 8.290 nan 0.000 0.560 164 K N -1.208 119.256 120.400 0.106 0.000 2.118 164 K HA 0.608 4.948 4.320 0.034 0.000 0.254 164 K C -1.060 175.644 176.600 0.174 0.000 0.961 164 K CA -0.709 55.677 56.287 0.165 0.000 0.876 164 K CB 2.085 34.692 32.500 0.180 0.000 1.077 164 K HN 0.123 nan 8.250 nan 0.000 0.440 165 V N 2.246 122.313 119.914 0.254 0.000 2.461 165 V HA 0.250 4.390 4.120 0.034 0.000 0.275 165 V C -0.378 175.756 176.094 0.067 0.000 1.047 165 V CA -0.599 61.790 62.300 0.148 0.000 0.955 165 V CB 1.064 32.985 31.823 0.164 0.000 0.988 165 V HN 0.575 nan 8.190 nan 0.000 0.471 166 V N 5.001 124.933 119.914 0.031 0.000 2.760 166 V HA 0.413 4.554 4.120 0.034 0.000 0.309 166 V C -0.304 175.778 176.094 -0.021 0.000 1.077 166 V CA -0.784 61.519 62.300 0.004 0.000 0.910 166 V CB 2.250 34.098 31.823 0.042 0.000 1.008 166 V HN 0.542 nan 8.190 nan 0.000 0.424 167 V N 3.192 123.075 119.914 -0.052 0.000 2.432 167 V HA 0.442 4.582 4.120 0.034 0.000 0.271 167 V C 0.964 177.028 176.094 -0.050 0.000 1.046 167 V CA -0.007 62.263 62.300 -0.051 0.000 0.945 167 V CB 1.460 33.246 31.823 -0.062 0.000 0.992 167 V HN 1.059 nan 8.190 nan 0.000 0.471 168 A N 4.460 127.266 122.820 -0.024 0.000 3.077 168 A HA 0.532 4.872 4.320 0.034 0.000 0.255 168 A C 1.551 179.120 177.584 -0.024 0.000 1.728 168 A CA 0.393 52.423 52.037 -0.012 0.000 1.383 168 A CB -0.303 18.703 19.000 0.010 0.000 1.097 168 A HN 1.136 nan 8.150 nan 0.000 0.634 169 A N 0.961 123.748 122.820 -0.056 0.000 2.119 169 A HA 0.273 4.614 4.320 0.034 0.000 0.216 169 A C 1.145 178.703 177.584 -0.043 0.000 1.152 169 A CA 0.603 52.607 52.037 -0.055 0.000 0.708 169 A CB -0.331 18.620 19.000 -0.080 0.000 0.805 169 A HN 0.644 nan 8.150 nan 0.000 0.460 170 M N -0.461 119.118 119.600 -0.035 0.000 1.855 170 M HA 0.242 4.743 4.480 0.034 0.000 0.221 170 M C 0.519 176.835 176.300 0.026 0.000 1.275 170 M CA 0.344 55.647 55.300 0.005 0.000 0.937 170 M CB 0.011 32.654 32.600 0.072 0.000 1.279 170 M HN 0.264 nan 8.290 nan 0.000 0.490 171 Q N -0.523 119.304 119.800 0.047 0.000 2.260 171 Q HA 0.484 4.845 4.340 0.034 0.000 0.238 171 Q C 0.926 176.954 176.000 0.047 0.000 0.948 171 Q CA -0.155 55.671 55.803 0.038 0.000 0.895 171 Q CB 0.919 29.679 28.738 0.036 0.000 1.218 171 Q HN 0.789 nan 8.270 nan 0.000 0.470 172 A N 1.909 124.749 122.820 0.033 0.000 1.892 172 A HA -0.275 4.065 4.320 0.034 0.000 0.218 172 A C 1.661 179.267 177.584 0.038 0.000 1.188 172 A CA 2.060 54.117 52.037 0.033 0.000 0.631 172 A CB -0.464 18.549 19.000 0.022 0.000 0.822 172 A HN 0.860 nan 8.150 nan 0.000 0.447 173 E N -0.023 120.196 120.200 0.033 0.000 2.265 173 E HA -0.069 4.301 4.350 0.034 0.000 0.196 173 E C 1.969 178.590 176.600 0.034 0.000 0.996 173 E CA 1.270 57.687 56.400 0.027 0.000 0.832 173 E CB -0.140 29.573 29.700 0.021 0.000 0.756 173 E HN 0.518 nan 8.360 nan 0.000 0.491 174 S N -0.087 115.650 115.700 0.061 0.000 2.524 174 S HA 0.138 4.628 4.470 0.034 0.000 0.216 174 S C 1.629 176.307 174.600 0.131 0.000 0.987 174 S CA -0.041 58.215 58.200 0.094 0.000 0.909 174 S CB 0.098 63.395 63.200 0.162 0.000 0.781 174 S HN 0.163 nan 8.310 nan 0.000 0.521 175 L N 1.414 122.709 121.223 0.119 0.000 2.083 175 L HA -0.126 4.234 4.340 0.034 0.000 0.209 175 L C 2.255 179.185 176.870 0.100 0.000 1.083 175 L CA 1.133 56.062 54.840 0.148 0.000 0.752 175 L CB -0.480 41.637 42.059 0.097 0.000 0.899 175 L HN 0.234 nan 8.230 nan 0.000 0.433 176 K N 0.269 120.689 120.400 0.034 0.000 2.127 176 K HA -0.249 4.091 4.320 0.034 0.000 0.208 176 K C 1.896 178.456 176.600 -0.067 0.000 1.047 176 K CA 1.862 58.144 56.287 -0.009 0.000 0.927 176 K CB -0.175 32.311 32.500 -0.023 0.000 0.716 176 K HN 0.457 nan 8.250 nan 0.000 0.450 177 E N -0.900 119.196 120.200 -0.174 0.000 2.285 177 E HA -0.095 4.276 4.350 0.034 0.000 0.194 177 E C 1.271 177.551 176.600 -0.534 0.000 0.997 177 E CA 0.816 56.960 56.400 -0.426 0.000 0.845 177 E CB 0.112 29.405 29.700 -0.679 0.000 0.782 177 E HN 0.286 nan 8.360 nan 0.000 0.491 178 F N -0.237 119.722 119.950 0.015 0.000 2.637 178 F HA 0.289 4.838 4.527 0.037 0.000 0.284 178 F C 0.964 176.777 175.800 0.022 0.000 1.105 178 F CA -0.048 57.963 58.000 0.018 0.000 1.356 178 F CB 0.795 39.804 39.000 0.015 0.000 1.096 178 F HN -0.200 nan 8.300 nan 0.000 0.616 179 I N 0.933 121.612 120.570 0.182 0.000 2.378 179 I HA 0.351 4.542 4.170 0.034 0.000 0.291 179 I C -0.060 176.100 176.117 0.073 0.000 0.992 179 I CA -0.539 60.835 61.300 0.122 0.000 1.154 179 I CB 1.505 39.573 38.000 0.113 0.000 1.315 179 I HN 0.000 nan 8.210 nan 0.000 0.448 180 S N 3.961 119.700 115.700 0.065 0.000 2.745 180 S HA 0.427 4.918 4.470 0.034 0.000 0.306 180 S C -0.557 174.072 174.600 0.048 0.000 1.137 180 S CA -0.906 57.321 58.200 0.045 0.000 0.900 180 S CB 1.781 65.003 63.200 0.036 0.000 1.176 180 S HN 0.650 nan 8.310 nan 0.000 0.520 181 E N -0.385 119.838 120.200 0.038 0.000 2.465 181 E HA 0.352 4.723 4.350 0.034 0.000 0.260 181 E C 1.237 177.865 176.600 0.046 0.000 0.980 181 E CA 1.094 57.517 56.400 0.039 0.000 0.927 181 E CB -0.358 29.358 29.700 0.028 0.000 0.934 181 E HN 1.280 nan 8.360 nan 0.000 0.459 182 G N 3.893 112.728 108.800 0.058 0.000 2.217 182 G HA2 -0.230 3.751 3.960 0.034 0.000 0.246 182 G HA3 -0.230 3.751 3.960 0.034 0.000 0.246 182 G C -0.035 174.923 174.900 0.097 0.000 0.990 182 G CA 0.152 45.296 45.100 0.073 0.000 0.627 182 G HN 0.653 nan 8.290 nan 0.000 0.522 183 D N 0.245 120.697 120.400 0.085 0.000 2.361 183 D HA 0.464 5.124 4.640 0.034 0.000 0.239 183 D C 0.645 176.998 176.300 0.089 0.000 1.200 183 D CA 0.149 54.203 54.000 0.090 0.000 0.915 183 D CB 0.622 41.471 40.800 0.082 0.000 1.170 183 D HN 0.183 nan 8.370 nan 0.000 0.444 184 I N 1.033 121.648 120.570 0.075 0.000 2.312 184 I HA 0.392 4.583 4.170 0.034 0.000 0.290 184 I C 0.147 176.277 176.117 0.021 0.000 1.008 184 I CA -0.446 60.870 61.300 0.026 0.000 1.226 184 I CB 1.228 39.224 38.000 -0.007 0.000 1.371 184 I HN 0.225 nan 8.210 nan 0.000 0.468 185 A N 7.609 130.435 122.820 0.009 0.000 2.303 185 A HA 0.816 5.157 4.320 0.034 0.000 0.320 185 A C -0.407 177.173 177.584 -0.007 0.000 1.192 185 A CA -0.489 51.554 52.037 0.011 0.000 0.821 185 A CB 0.424 19.438 19.000 0.024 0.000 1.188 185 A HN 0.646 nan 8.150 nan 0.000 0.492 186 I N 2.387 122.950 120.570 -0.011 0.000 2.312 186 I HA 0.563 4.754 4.170 0.034 0.000 0.290 186 I C 0.508 176.621 176.117 -0.007 0.000 1.008 186 I CA 0.105 61.395 61.300 -0.016 0.000 1.226 186 I CB 1.504 39.487 38.000 -0.029 0.000 1.371 186 I HN 0.743 nan 8.210 nan 0.000 0.468 187 A N 4.553 127.373 122.820 0.001 0.000 2.569 187 A HA 0.901 5.241 4.320 0.034 0.000 0.290 187 A C -0.139 177.453 177.584 0.013 0.000 1.136 187 A CA -0.440 51.601 52.037 0.006 0.000 0.710 187 A CB 1.271 20.277 19.000 0.009 0.000 1.303 187 A HN 0.692 nan 8.150 nan 0.000 0.413 188 G N -0.831 107.976 108.800 0.012 0.000 2.574 188 G HA2 0.443 4.424 3.960 0.034 0.000 0.248 188 G HA3 0.443 4.424 3.960 0.034 0.000 0.248 188 G C -0.003 174.904 174.900 0.012 0.000 1.422 188 G CA 0.523 45.632 45.100 0.016 0.000 1.051 188 G HN 0.839 nan 8.290 nan 0.000 0.560 189 D N -1.274 119.124 120.400 -0.004 0.000 2.336 189 D HA 0.021 4.682 4.640 0.034 0.000 0.228 189 D C 0.614 176.892 176.300 -0.037 0.000 1.120 189 D CA -0.298 53.688 54.000 -0.022 0.000 0.839 189 D CB -0.048 40.691 40.800 -0.100 0.000 0.932 189 D HN 0.124 nan 8.370 nan 0.000 0.509 190 R N 0.268 120.755 120.500 -0.022 0.000 2.216 190 R HA 0.494 4.855 4.340 0.034 0.000 0.332 190 R C 1.115 177.411 176.300 -0.008 0.000 1.056 190 R CA 0.019 56.107 56.100 -0.020 0.000 0.901 190 R CB 1.430 31.721 30.300 -0.015 0.000 1.039 190 R HN 0.091 nan 8.270 nan 0.000 0.456 191 A N 3.371 126.186 122.820 -0.009 0.000 1.940 191 A HA -0.233 4.108 4.320 0.034 0.000 0.219 191 A C 1.962 179.548 177.584 0.003 0.000 1.176 191 A CA 1.580 53.616 52.037 -0.001 0.000 0.631 191 A CB -0.267 18.732 19.000 -0.002 0.000 0.814 191 A HN 0.899 nan 8.150 nan 0.000 0.446 192 E N -0.453 119.748 120.200 0.002 0.000 2.085 192 E HA -0.187 4.183 4.350 0.034 0.000 0.194 192 E C 1.808 178.414 176.600 0.010 0.000 0.994 192 E CA 1.402 57.805 56.400 0.005 0.000 0.801 192 E CB -0.118 29.584 29.700 0.004 0.000 0.743 192 E HN 0.512 nan 8.360 nan 0.000 0.453 193 I N 1.080 121.656 120.570 0.009 0.000 2.252 193 I HA -0.234 3.957 4.170 0.034 0.000 0.245 193 I C 2.379 178.506 176.117 0.017 0.000 1.102 193 I CA 1.346 62.655 61.300 0.015 0.000 1.385 193 I CB -1.317 36.690 38.000 0.012 0.000 1.064 193 I HN 0.241 nan 8.210 nan 0.000 0.414 194 Q N 0.645 120.454 119.800 0.014 0.000 2.061 194 Q HA -0.162 4.199 4.340 0.034 0.000 0.204 194 Q C 2.450 178.461 176.000 0.018 0.000 0.984 194 Q CA 2.084 57.897 55.803 0.016 0.000 0.846 194 Q CB -0.305 28.442 28.738 0.015 0.000 0.902 194 Q HN 0.543 nan 8.270 nan 0.000 0.421 195 A N 1.048 123.877 122.820 0.016 0.000 1.883 195 A HA -0.277 4.063 4.320 0.034 0.000 0.217 195 A C 1.989 179.585 177.584 0.019 0.000 1.186 195 A CA 1.855 53.902 52.037 0.016 0.000 0.624 195 A CB -0.575 18.432 19.000 0.013 0.000 0.822 195 A HN 0.340 nan 8.150 nan 0.000 0.444 196 E N 0.079 120.291 120.200 0.020 0.000 2.153 196 E HA -0.109 4.261 4.350 0.034 0.000 0.194 196 E C 1.767 178.383 176.600 0.027 0.000 0.988 196 E CA 1.151 57.565 56.400 0.023 0.000 0.811 196 E CB -0.391 29.324 29.700 0.025 0.000 0.746 196 E HN 0.617 nan 8.360 nan 0.000 0.466 197 L N -0.109 121.131 121.223 0.029 0.000 2.109 197 L HA -0.069 4.291 4.340 0.034 0.000 0.207 197 L C 2.443 179.333 176.870 0.033 0.000 1.086 197 L CA 0.832 55.692 54.840 0.033 0.000 0.760 197 L CB -0.323 41.755 42.059 0.032 0.000 0.910 197 L HN 0.198 nan 8.230 nan 0.000 0.437 198 I N -0.365 120.223 120.570 0.029 0.000 2.226 198 I HA -0.251 3.940 4.170 0.034 0.000 0.245 198 I C 2.491 178.624 176.117 0.027 0.000 1.100 198 I CA 1.057 62.374 61.300 0.029 0.000 1.374 198 I CB -0.295 37.719 38.000 0.025 0.000 1.057 198 I HN 0.289 nan 8.210 nan 0.000 0.413 199 E N 0.706 120.920 120.200 0.023 0.000 2.150 199 E HA -0.123 4.248 4.350 0.034 0.000 0.193 199 E C 2.145 178.758 176.600 0.022 0.000 0.985 199 E CA 1.019 57.431 56.400 0.020 0.000 0.814 199 E CB -0.190 29.521 29.700 0.018 0.000 0.752 199 E HN 0.527 nan 8.360 nan 0.000 0.466 200 L N 0.365 121.604 121.223 0.027 0.000 2.599 200 L HA 0.064 4.424 4.340 0.034 0.000 0.230 200 L C 0.379 177.268 176.870 0.032 0.000 1.141 200 L CA 0.120 54.977 54.840 0.029 0.000 0.877 200 L CB -0.189 41.891 42.059 0.034 0.000 1.009 200 L HN -0.001 nan 8.230 nan 0.000 0.447 201 K N 0.138 120.558 120.400 0.033 0.000 3.096 201 K HA -0.142 4.199 4.320 0.034 0.000 0.266 201 K C 0.149 176.778 176.600 0.050 0.000 1.043 201 K CA 0.449 56.758 56.287 0.038 0.000 0.758 201 K CB -2.200 30.319 32.500 0.030 0.000 1.260 201 K HN 0.324 nan 8.250 nan 0.000 0.481 202 V N -0.741 119.205 119.914 0.054 0.000 2.843 202 V HA -0.089 4.052 4.120 0.034 0.000 0.305 202 V C 1.723 177.872 176.094 0.091 0.000 1.120 202 V CA 0.851 63.192 62.300 0.068 0.000 1.254 202 V CB 1.576 33.434 31.823 0.058 0.000 0.901 202 V HN 0.445 nan 8.190 nan 0.000 0.503 203 S N 3.396 119.174 115.700 0.130 0.000 2.453 203 S HA 0.128 4.619 4.470 0.034 0.000 0.231 203 S C 0.299 175.067 174.600 0.281 0.000 1.005 203 S CA 0.873 59.201 58.200 0.213 0.000 0.949 203 S CB -0.305 63.065 63.200 0.283 0.000 0.774 203 S HN 1.217 nan 8.310 nan 0.000 0.510 204 L N 0.451 121.760 121.223 0.143 0.000 2.588 204 L HA 0.644 5.004 4.340 0.034 0.000 0.263 204 L C -1.743 175.118 176.870 -0.014 0.000 0.935 204 L CA -0.802 54.046 54.840 0.015 0.000 0.891 204 L CB 2.073 43.960 42.059 -0.287 0.000 1.318 204 L HN 0.237 nan 8.230 nan 0.000 0.409 205 L N 6.317 127.536 121.223 -0.007 0.000 2.280 205 L HA 0.658 5.019 4.340 0.034 0.000 0.287 205 L C -1.148 175.708 176.870 -0.022 0.000 1.023 205 L CA 0.031 54.868 54.840 -0.005 0.000 0.819 205 L CB 0.998 43.065 42.059 0.014 0.000 1.212 205 L HN 0.554 nan 8.230 nan 0.000 0.420 206 I N 6.265 126.818 120.570 -0.028 0.000 2.328 206 I HA 0.314 4.505 4.170 0.034 0.000 0.287 206 I C -0.563 175.550 176.117 -0.007 0.000 1.012 206 I CA -0.824 60.459 61.300 -0.029 0.000 1.195 206 I CB 1.548 39.522 38.000 -0.044 0.000 1.350 206 I HN 0.249 nan 8.210 nan 0.000 0.464 207 V N 5.429 125.345 119.914 0.003 0.000 2.406 207 V HA 0.282 4.423 4.120 0.034 0.000 0.272 207 V C 0.655 176.763 176.094 0.024 0.000 1.043 207 V CA -0.384 61.926 62.300 0.018 0.000 0.915 207 V CB 1.261 33.099 31.823 0.025 0.000 0.988 207 V HN 0.839 nan 8.190 nan 0.000 0.466 208 T N 1.028 115.603 114.554 0.034 0.000 2.943 208 T HA 0.699 5.069 4.350 0.034 0.000 0.284 208 T C 0.938 175.678 174.700 0.065 0.000 1.015 208 T CA 0.148 62.275 62.100 0.045 0.000 1.042 208 T CB 1.693 70.589 68.868 0.048 0.000 1.055 208 T HN 1.538 nan 8.240 nan 0.000 0.500 209 G N -0.114 108.721 108.800 0.059 0.000 2.195 209 G HA2 0.189 4.170 3.960 0.034 0.000 0.224 209 G HA3 0.189 4.170 3.960 0.034 0.000 0.224 209 G C 1.098 176.012 174.900 0.023 0.000 0.990 209 G CA 0.445 45.598 45.100 0.088 0.000 0.639 209 G HN 2.347 nan 8.290 nan 0.000 0.514 210 G N -1.132 107.647 108.800 -0.036 0.000 2.199 210 G HA2 -0.254 3.727 3.960 0.034 0.000 0.254 210 G HA3 -0.254 3.727 3.960 0.034 0.000 0.254 210 G C 0.087 174.871 174.900 -0.194 0.000 0.982 210 G CA 0.974 45.988 45.100 -0.143 0.000 0.632 210 G HN 1.446 nan 8.290 nan 0.000 0.529 211 H N 2.261 121.320 119.070 -0.017 0.000 2.911 211 H HA 0.470 5.046 4.556 0.034 0.000 0.273 211 H C 0.996 176.319 175.328 -0.009 0.000 1.157 211 H CA 0.601 56.642 56.048 -0.012 0.000 1.402 211 H CB 0.404 30.162 29.762 -0.008 0.000 1.463 211 H HN 0.350 nan 8.280 nan 0.000 0.475 212 T N 3.179 117.770 114.554 0.063 0.000 2.902 212 T HA 0.105 4.476 4.350 0.034 0.000 0.301 212 T C -2.056 172.677 174.700 0.055 0.000 1.012 212 T CA -1.604 60.520 62.100 0.041 0.000 1.151 212 T CB 0.546 69.425 68.868 0.018 0.000 0.946 212 T HN 0.316 nan 8.240 nan 0.000 0.542 213 P HA 0.172 nan 4.420 nan 0.000 0.271 213 P C 0.316 177.633 177.300 0.028 0.000 1.233 213 P CA -0.563 62.558 63.100 0.035 0.000 0.789 213 P CB 0.246 31.962 31.700 0.026 0.000 0.951 214 S N 0.513 116.227 115.700 0.022 0.000 2.572 214 S HA 0.046 4.536 4.470 0.034 0.000 0.267 214 S C 1.134 175.743 174.600 0.016 0.000 1.361 214 S CA -0.261 57.950 58.200 0.018 0.000 1.009 214 S CB 0.325 63.532 63.200 0.012 0.000 0.888 214 S HN 0.340 nan 8.310 nan 0.000 0.553 215 K N 0.799 121.208 120.400 0.014 0.000 2.147 215 K HA -0.130 4.211 4.320 0.034 0.000 0.205 215 K C 1.926 178.533 176.600 0.011 0.000 1.049 215 K CA 1.615 57.909 56.287 0.012 0.000 0.936 215 K CB -0.266 32.240 32.500 0.011 0.000 0.722 215 K HN 0.622 nan 8.250 nan 0.000 0.446 216 E N 0.890 121.096 120.200 0.011 0.000 2.077 216 E HA -0.124 4.246 4.350 0.034 0.000 0.193 216 E C 1.910 178.516 176.600 0.011 0.000 0.989 216 E CA 0.817 57.222 56.400 0.010 0.000 0.800 216 E CB -0.072 29.633 29.700 0.008 0.000 0.746 216 E HN 0.139 nan 8.360 nan 0.000 0.452 217 I N 0.486 121.064 120.570 0.013 0.000 2.252 217 I HA -0.192 3.999 4.170 0.034 0.000 0.245 217 I C 2.235 178.362 176.117 0.016 0.000 1.102 217 I CA 1.098 62.406 61.300 0.014 0.000 1.385 217 I CB -0.828 37.182 38.000 0.015 0.000 1.064 217 I HN 0.151 nan 8.210 nan 0.000 0.414 218 I N 0.440 121.019 120.570 0.016 0.000 2.208 218 I HA -0.281 3.910 4.170 0.034 0.000 0.245 218 I C 2.547 178.674 176.117 0.016 0.000 1.097 218 I CA 1.223 62.533 61.300 0.017 0.000 1.363 218 I CB -0.283 37.726 38.000 0.016 0.000 1.051 218 I HN 0.213 nan 8.210 nan 0.000 0.413 219 E N 0.458 120.666 120.200 0.014 0.000 2.047 219 E HA -0.208 4.163 4.350 0.034 0.000 0.191 219 E C 2.148 178.757 176.600 0.013 0.000 0.987 219 E CA 1.086 57.494 56.400 0.013 0.000 0.799 219 E CB -0.405 29.301 29.700 0.011 0.000 0.752 219 E HN 0.301 nan 8.360 nan 0.000 0.449 220 L N 0.810 122.042 121.223 0.014 0.000 2.042 220 L HA -0.166 4.195 4.340 0.034 0.000 0.210 220 L C 2.180 179.061 176.870 0.017 0.000 1.076 220 L CA 2.024 56.873 54.840 0.015 0.000 0.749 220 L CB -0.578 41.490 42.059 0.014 0.000 0.893 220 L HN 0.066 nan 8.230 nan 0.000 0.432 221 A N -1.280 121.551 122.820 0.019 0.000 1.930 221 A HA -0.184 4.156 4.320 0.034 0.000 0.217 221 A C 2.336 179.934 177.584 0.023 0.000 1.175 221 A CA 1.528 53.579 52.037 0.024 0.000 0.627 221 A CB -0.413 18.602 19.000 0.026 0.000 0.815 221 A HN 0.425 nan 8.150 nan 0.000 0.443 222 K N -0.060 120.352 120.400 0.020 0.000 2.057 222 K HA -0.132 4.209 4.320 0.034 0.000 0.207 222 K C 1.948 178.558 176.600 0.016 0.000 1.049 222 K CA 1.636 57.934 56.287 0.018 0.000 0.931 222 K CB -0.154 32.355 32.500 0.015 0.000 0.714 222 K HN 0.432 nan 8.250 nan 0.000 0.440 223 K N 0.244 120.653 120.400 0.015 0.000 2.155 223 K HA -0.030 4.311 4.320 0.034 0.000 0.203 223 K C 1.403 178.011 176.600 0.014 0.000 1.052 223 K CA 0.803 57.098 56.287 0.013 0.000 0.948 223 K CB 0.078 32.585 32.500 0.011 0.000 0.728 223 K HN 0.110 nan 8.250 nan 0.000 0.448 224 N N 0.821 119.531 118.700 0.017 0.000 2.236 224 N HA 0.030 4.790 4.740 0.034 0.000 0.196 224 N C -0.782 174.740 175.510 0.021 0.000 1.114 224 N CA 0.152 53.213 53.050 0.018 0.000 0.859 224 N CB 0.334 38.833 38.487 0.020 0.000 0.982 224 N HN 0.164 nan 8.380 nan 0.000 0.493 225 N N 0.874 119.587 118.700 0.022 0.000 2.714 225 N HA -0.154 4.607 4.740 0.034 0.000 0.253 225 N C -1.147 174.386 175.510 0.038 0.000 1.024 225 N CA 0.223 53.288 53.050 0.026 0.000 0.726 225 N CB -0.618 37.880 38.487 0.018 0.000 0.908 225 N HN 0.180 nan 8.380 nan 0.000 0.542 226 I N 0.919 121.514 120.570 0.043 0.000 2.336 226 I HA 0.156 4.347 4.170 0.034 0.000 0.292 226 I C 1.037 177.194 176.117 0.068 0.000 0.991 226 I CA -0.174 61.161 61.300 0.059 0.000 1.227 226 I CB 1.009 39.039 38.000 0.050 0.000 1.366 226 I HN 0.001 nan 8.210 nan 0.000 0.466 227 T N 6.048 120.664 114.554 0.103 0.000 2.834 227 T HA 0.365 4.736 4.350 0.034 0.000 0.298 227 T C 0.244 174.983 174.700 0.065 0.000 0.966 227 T CA -0.154 62.011 62.100 0.109 0.000 1.141 227 T CB 0.664 69.657 68.868 0.207 0.000 0.905 227 T HN 0.311 nan 8.240 nan 0.000 0.535 228 V N 5.733 125.673 119.914 0.043 0.000 2.531 228 V HA 0.651 4.791 4.120 0.034 0.000 0.301 228 V C -0.025 176.077 176.094 0.013 0.000 1.034 228 V CA -0.942 61.371 62.300 0.022 0.000 0.865 228 V CB 1.512 33.349 31.823 0.023 0.000 0.995 228 V HN 0.882 nan 8.190 nan 0.000 0.424 229 I N 1.218 121.787 120.570 -0.002 0.000 2.969 229 I HA 0.862 5.052 4.170 0.034 0.000 0.307 229 I C -0.760 175.354 176.117 -0.005 0.000 1.149 229 I CA -0.405 60.892 61.300 -0.005 0.000 1.008 229 I CB 2.975 40.964 38.000 -0.019 0.000 1.232 229 I HN 0.481 nan 8.210 nan 0.000 0.435 230 T N 2.297 116.848 114.554 -0.005 0.000 2.841 230 T HA 0.438 4.809 4.350 0.034 0.000 0.285 230 T C -0.432 174.258 174.700 -0.016 0.000 0.991 230 T CA -0.410 61.687 62.100 -0.005 0.000 0.966 230 T CB 1.575 70.441 68.868 -0.003 0.000 0.962 230 T HN 0.792 nan 8.240 nan 0.000 0.438 231 T N 3.223 117.770 114.554 -0.012 0.000 2.855 231 T HA 0.473 4.843 4.350 0.034 0.000 0.281 231 T C -1.736 172.914 174.700 -0.083 0.000 1.007 231 T CA -2.504 59.580 62.100 -0.028 0.000 1.009 231 T CB 1.298 70.199 68.868 0.056 0.000 0.983 231 T HN 0.192 nan 8.240 nan 0.000 0.455 232 P HA 0.027 nan 4.420 nan 0.000 0.233 232 P C 0.158 177.329 177.300 -0.215 0.000 1.167 232 P CA 0.464 63.425 63.100 -0.231 0.000 0.770 232 P CB -0.040 31.483 31.700 -0.296 0.000 0.837 233 H N 1.493 120.557 119.070 -0.010 0.000 2.629 233 H HA 0.076 4.643 4.556 0.020 0.000 0.357 233 H C 0.773 176.107 175.328 0.010 0.000 1.121 233 H CA -0.065 55.982 56.048 -0.002 0.000 1.406 233 H CB 0.494 30.244 29.762 -0.020 0.000 1.456 233 H HN 0.196 nan 8.280 nan 0.000 0.579 234 D N 0.359 120.856 120.400 0.162 0.000 2.384 234 D HA -0.019 4.642 4.640 0.034 0.000 0.244 234 D C 0.763 177.126 176.300 0.105 0.000 1.251 234 D CA -0.467 53.603 54.000 0.117 0.000 0.961 234 D CB 0.499 41.368 40.800 0.115 0.000 1.116 234 D HN 0.263 nan 8.370 nan 0.000 0.484 235 S N -0.898 114.853 115.700 0.085 0.000 2.402 235 S HA -0.094 4.396 4.470 0.034 0.000 0.229 235 S C 1.331 175.960 174.600 0.048 0.000 1.021 235 S CA 0.538 58.768 58.200 0.050 0.000 0.974 235 S CB -0.622 62.601 63.200 0.038 0.000 0.800 235 S HN 0.544 nan 8.310 nan 0.000 0.484 236 F N 2.581 122.505 119.950 -0.043 0.000 2.113 236 F HA -0.105 4.430 4.527 0.013 0.000 0.297 236 F C 2.345 178.096 175.800 -0.083 0.000 1.103 236 F CA 1.561 59.522 58.000 -0.066 0.000 1.248 236 F CB -0.984 37.983 39.000 -0.056 0.000 0.999 236 F HN 0.055 nan 8.300 nan 0.000 0.475 237 T N 0.848 115.289 114.554 -0.188 0.000 2.737 237 T HA -0.102 4.268 4.350 0.034 0.000 0.265 237 T C 2.240 176.728 174.700 -0.353 0.000 1.038 237 T CA 1.381 63.270 62.100 -0.352 0.000 1.144 237 T CB -0.851 67.949 68.868 -0.113 0.000 0.866 237 T HN 0.376 nan 8.240 nan 0.000 0.434 238 A N 1.371 124.081 122.820 -0.183 0.000 1.940 238 A HA -0.133 4.208 4.320 0.034 0.000 0.219 238 A C 2.577 180.043 177.584 -0.196 0.000 1.176 238 A CA 2.052 54.002 52.037 -0.146 0.000 0.631 238 A CB -0.821 18.157 19.000 -0.036 0.000 0.814 238 A HN 0.455 nan 8.150 nan 0.000 0.446 239 S N -0.604 114.953 115.700 -0.238 0.000 2.368 239 S HA -0.126 4.365 4.470 0.034 0.000 0.224 239 S C 2.042 176.441 174.600 -0.334 0.000 1.029 239 S CA 1.217 59.260 58.200 -0.261 0.000 0.988 239 S CB -0.299 62.748 63.200 -0.256 0.000 0.838 239 S HN 0.627 nan 8.310 nan 0.000 0.462 240 R N 0.625 120.853 120.500 -0.453 0.000 2.105 240 R HA 0.022 4.383 4.340 0.034 0.000 0.239 240 R C 2.145 178.231 176.300 -0.357 0.000 1.135 240 R CA 1.007 56.831 56.100 -0.460 0.000 0.967 240 R CB -0.412 29.543 30.300 -0.576 0.000 0.861 240 R HN 0.351 nan 8.270 nan 0.000 0.442 241 L N 0.107 121.144 121.223 -0.310 0.000 2.179 241 L HA -0.071 4.289 4.340 0.034 0.000 0.208 241 L C 2.366 179.151 176.870 -0.141 0.000 1.096 241 L CA 0.560 55.261 54.840 -0.232 0.000 0.779 241 L CB -0.117 41.790 42.059 -0.254 0.000 0.922 241 L HN 0.184 nan 8.230 nan 0.000 0.443 242 I N -0.563 119.932 120.570 -0.126 0.000 2.286 242 I HA -0.278 3.912 4.170 0.034 0.000 0.248 242 I C 2.219 178.347 176.117 0.018 0.000 1.115 242 I CA 0.992 62.263 61.300 -0.047 0.000 1.392 242 I CB 0.168 38.144 38.000 -0.040 0.000 1.065 242 I HN -0.024 nan 8.210 nan 0.000 0.418 243 V N 0.482 120.399 119.914 0.006 0.000 2.453 243 V HA -0.329 3.812 4.120 0.034 0.000 0.252 243 V C 2.067 178.253 176.094 0.153 0.000 1.068 243 V CA 1.911 64.281 62.300 0.117 0.000 1.070 243 V CB -1.082 30.729 31.823 -0.020 0.000 0.664 243 V HN 0.555 nan 8.190 nan 0.000 0.461 244 Q N -0.162 119.672 119.800 0.057 0.000 2.482 244 Q HA 0.006 4.367 4.340 0.034 0.000 0.209 244 Q C 2.137 178.200 176.000 0.105 0.000 0.961 244 Q CA 0.755 56.630 55.803 0.120 0.000 0.945 244 Q CB -0.066 28.707 28.738 0.057 0.000 1.012 244 Q HN 0.611 nan 8.270 nan 0.000 0.515 245 S N 0.530 116.280 115.700 0.083 0.000 2.489 245 S HA 0.052 4.543 4.470 0.034 0.000 0.228 245 S C 0.793 175.442 174.600 0.081 0.000 0.995 245 S CA 0.056 58.297 58.200 0.069 0.000 0.934 245 S CB 0.044 63.270 63.200 0.043 0.000 0.771 245 S HN 0.323 nan 8.310 nan 0.000 0.522 246 L N 3.617 124.902 121.223 0.104 0.000 2.543 246 L HA 0.083 4.444 4.340 0.034 0.000 0.285 246 L C -2.123 174.803 176.870 0.094 0.000 1.236 246 L CA -1.244 53.653 54.840 0.095 0.000 0.871 246 L CB -0.189 41.954 42.059 0.139 0.000 1.121 246 L HN 0.028 nan 8.230 nan 0.000 0.501 247 P HA 0.021 nan 4.420 nan 0.000 0.275 247 P C 0.854 178.215 177.300 0.101 0.000 1.228 247 P CA -0.332 62.817 63.100 0.083 0.000 0.786 247 P CB 1.276 33.017 31.700 0.068 0.000 0.927 248 V N 2.241 122.201 119.914 0.077 0.000 2.469 248 V HA -0.251 3.890 4.120 0.034 0.000 0.251 248 V C 2.143 178.269 176.094 0.054 0.000 1.064 248 V CA 2.644 64.980 62.300 0.059 0.000 1.066 248 V CB -1.258 30.592 31.823 0.045 0.000 0.667 248 V HN 0.662 nan 8.190 nan 0.000 0.461 249 D N -1.163 119.277 120.400 0.066 0.000 2.218 249 D HA -0.270 4.391 4.640 0.034 0.000 0.204 249 D C 1.956 178.303 176.300 0.079 0.000 0.976 249 D CA 1.245 55.279 54.000 0.057 0.000 0.853 249 D CB -0.588 40.246 40.800 0.056 0.000 0.939 249 D HN 0.519 nan 8.370 nan 0.000 0.481 250 Y N 0.644 120.935 120.300 -0.014 0.000 2.352 250 Y HA -0.007 4.563 4.550 0.033 0.000 0.292 250 Y C 2.133 178.013 175.900 -0.034 0.000 1.136 250 Y CA 0.844 58.929 58.100 -0.024 0.000 1.227 250 Y CB 0.164 38.610 38.460 -0.023 0.000 0.991 250 Y HN -0.089 nan 8.280 nan 0.000 0.545 251 V N 1.043 120.936 119.914 -0.035 0.000 2.949 251 V HA -0.072 4.069 4.120 0.034 0.000 0.245 251 V C 1.270 177.296 176.094 -0.113 0.000 1.086 251 V CA 0.721 62.958 62.300 -0.104 0.000 1.097 251 V CB -0.357 31.438 31.823 -0.046 0.000 0.762 251 V HN 0.356 nan 8.190 nan 0.000 0.470 252 M N 0.428 119.984 119.600 -0.073 0.000 2.245 252 M HA 0.133 4.633 4.480 0.034 0.000 0.312 252 M C 0.205 176.453 176.300 -0.087 0.000 1.070 252 M CA 0.592 55.851 55.300 -0.069 0.000 1.162 252 M CB -0.403 32.172 32.600 -0.042 0.000 1.448 252 M HN 0.099 nan 8.290 nan 0.000 0.446 253 T N 2.892 117.394 114.554 -0.087 0.000 2.853 253 T HA 0.171 4.542 4.350 0.034 0.000 0.298 253 T C 0.549 175.204 174.700 -0.075 0.000 0.978 253 T CA -0.272 61.775 62.100 -0.089 0.000 1.152 253 T CB 0.973 69.775 68.868 -0.111 0.000 0.914 253 T HN 0.709 nan 8.240 nan 0.000 0.539 254 K N 1.073 121.434 120.400 -0.065 0.000 2.354 254 K HA 0.114 4.455 4.320 0.034 0.000 0.210 254 K C -0.031 176.545 176.600 -0.040 0.000 1.184 254 K CA -0.135 56.123 56.287 -0.048 0.000 0.880 254 K CB 0.471 32.944 32.500 -0.045 0.000 1.328 254 K HN 0.543 nan 8.250 nan 0.000 0.466 255 D N 1.907 122.285 120.400 -0.037 0.000 2.255 255 D HA 0.091 4.752 4.640 0.034 0.000 0.249 255 D C -0.210 176.080 176.300 -0.015 0.000 1.078 255 D CA 0.040 54.026 54.000 -0.023 0.000 0.896 255 D CB 1.176 41.964 40.800 -0.020 0.000 1.194 255 D HN 0.090 nan 8.370 nan 0.000 0.429 256 N N -0.209 118.492 118.700 0.001 0.000 2.681 256 N HA -0.226 4.534 4.740 0.034 0.000 0.250 256 N C -0.071 175.445 175.510 0.011 0.000 1.133 256 N CA 0.264 53.328 53.050 0.023 0.000 0.732 256 N CB -1.482 37.029 38.487 0.041 0.000 1.107 256 N HN 0.509 nan 8.380 nan 0.000 0.559 257 L N 0.182 121.388 121.223 -0.030 0.000 2.513 257 L HA 0.176 4.537 4.340 0.034 0.000 0.272 257 L C -0.190 176.669 176.870 -0.019 0.000 1.187 257 L CA -0.170 54.625 54.840 -0.075 0.000 0.895 257 L CB 0.462 42.476 42.059 -0.074 0.000 1.147 257 L HN -0.070 nan 8.230 nan 0.000 0.483 258 V N 6.594 126.495 119.914 -0.022 0.000 2.311 258 V HA 0.620 4.761 4.120 0.034 0.000 0.275 258 V C 0.507 176.696 176.094 0.159 0.000 1.022 258 V CA -0.087 62.286 62.300 0.123 0.000 0.830 258 V CB 0.618 32.623 31.823 0.303 0.000 1.012 258 V HN 0.939 nan 8.190 nan 0.000 0.452 259 A N 4.922 127.819 122.820 0.128 0.000 2.313 259 A HA 0.993 5.333 4.320 0.034 0.000 0.323 259 A C -0.403 177.253 177.584 0.120 0.000 1.133 259 A CA -0.583 51.532 52.037 0.129 0.000 0.847 259 A CB 2.072 21.112 19.000 0.067 0.000 1.308 259 A HN 1.264 nan 8.150 nan 0.000 0.475 260 V N -1.678 118.293 119.914 0.095 0.000 2.769 260 V HA 0.804 4.945 4.120 0.034 0.000 0.312 260 V C -0.156 175.959 176.094 0.035 0.000 1.061 260 V CA -0.532 61.795 62.300 0.046 0.000 0.931 260 V CB 1.470 33.299 31.823 0.009 0.000 1.010 260 V HN 0.743 nan 8.190 nan 0.000 0.433 261 S N 1.971 117.684 115.700 0.022 0.000 2.554 261 S HA 0.337 4.827 4.470 0.034 0.000 0.278 261 S C 1.528 176.136 174.600 0.013 0.000 1.242 261 S CA 0.146 58.358 58.200 0.020 0.000 1.051 261 S CB 1.549 64.759 63.200 0.016 0.000 0.986 261 S HN 1.203 nan 8.310 nan 0.000 0.502 262 T N 0.148 114.711 114.554 0.016 0.000 2.760 262 T HA -0.213 4.158 4.350 0.034 0.000 0.269 262 T C 0.932 175.636 174.700 0.007 0.000 1.047 262 T CA 1.612 63.719 62.100 0.011 0.000 1.139 262 T CB -0.340 68.536 68.868 0.013 0.000 0.855 262 T HN 0.509 nan 8.240 nan 0.000 0.471 263 D N 1.680 122.085 120.400 0.008 0.000 2.178 263 D HA 0.000 4.661 4.640 0.034 0.000 0.202 263 D C 0.258 176.559 176.300 0.001 0.000 0.974 263 D CA 0.719 54.722 54.000 0.005 0.000 0.841 263 D CB -0.404 40.400 40.800 0.007 0.000 0.953 263 D HN 0.465 nan 8.370 nan 0.000 0.478 264 D N 0.660 121.060 120.400 -0.000 0.000 2.424 264 D HA 0.070 4.730 4.640 0.034 0.000 0.244 264 D C 0.602 176.896 176.300 -0.010 0.000 1.134 264 D CA -0.007 53.990 54.000 -0.006 0.000 0.881 264 D CB 0.881 41.675 40.800 -0.009 0.000 1.191 264 D HN 0.055 nan 8.370 nan 0.000 0.445 265 L N 1.968 123.184 121.223 -0.011 0.000 2.456 265 L HA -0.001 4.360 4.340 0.034 0.000 0.272 265 L C 1.796 178.654 176.870 -0.020 0.000 1.189 265 L CA -0.684 54.148 54.840 -0.013 0.000 0.846 265 L CB 0.560 42.612 42.059 -0.011 0.000 1.111 265 L HN 0.232 nan 8.230 nan 0.000 0.475 266 V N 2.096 121.998 119.914 -0.020 0.000 2.343 266 V HA -0.256 3.885 4.120 0.034 0.000 0.247 266 V C 2.375 178.450 176.094 -0.032 0.000 1.051 266 V CA 2.209 64.492 62.300 -0.028 0.000 1.036 266 V CB -0.816 30.993 31.823 -0.022 0.000 0.654 266 V HN 1.035 nan 8.190 nan 0.000 0.451 267 E N 0.232 120.417 120.200 -0.024 0.000 2.085 267 E HA -0.291 4.080 4.350 0.034 0.000 0.194 267 E C 1.633 178.217 176.600 -0.026 0.000 0.994 267 E CA 1.816 58.202 56.400 -0.023 0.000 0.801 267 E CB -0.459 29.231 29.700 -0.016 0.000 0.743 267 E HN 0.531 nan 8.360 nan 0.000 0.453 268 D N 0.923 121.308 120.400 -0.025 0.000 2.117 268 D HA -0.100 4.560 4.640 0.034 0.000 0.198 268 D C 2.240 178.517 176.300 -0.039 0.000 0.982 268 D CA 1.159 55.144 54.000 -0.026 0.000 0.828 268 D CB -0.120 40.668 40.800 -0.019 0.000 0.967 268 D HN 0.127 nan 8.370 nan 0.000 0.464 269 V N 1.108 120.992 119.914 -0.051 0.000 2.427 269 V HA -0.215 3.926 4.120 0.034 0.000 0.248 269 V C 2.294 178.325 176.094 -0.106 0.000 1.051 269 V CA 1.387 63.636 62.300 -0.085 0.000 1.048 269 V CB -0.334 31.433 31.823 -0.094 0.000 0.666 269 V HN 0.167 nan 8.190 nan 0.000 0.456 270 K N -0.242 120.112 120.400 -0.076 0.000 2.063 270 K HA -0.158 4.183 4.320 0.034 0.000 0.208 270 K C 2.077 178.642 176.600 -0.059 0.000 1.048 270 K CA 1.465 57.711 56.287 -0.068 0.000 0.928 270 K CB -0.434 32.040 32.500 -0.044 0.000 0.713 270 K HN 0.321 nan 8.250 nan 0.000 0.442 271 V N 1.102 120.989 119.914 -0.045 0.000 2.343 271 V HA -0.243 3.897 4.120 0.034 0.000 0.247 271 V C 2.080 178.154 176.094 -0.033 0.000 1.051 271 V CA 2.073 64.354 62.300 -0.032 0.000 1.036 271 V CB -0.503 31.307 31.823 -0.023 0.000 0.654 271 V HN 0.413 nan 8.190 nan 0.000 0.451 272 T N -0.520 114.006 114.554 -0.046 0.000 2.857 272 T HA -0.090 4.281 4.350 0.034 0.000 0.266 272 T C 1.831 176.502 174.700 -0.047 0.000 1.048 272 T CA 1.368 63.446 62.100 -0.036 0.000 1.139 272 T CB -0.212 68.632 68.868 -0.040 0.000 0.874 272 T HN 0.308 nan 8.240 nan 0.000 0.455 273 M N 0.791 120.316 119.600 -0.124 0.000 2.319 273 M HA -0.034 4.467 4.480 0.034 0.000 0.265 273 M C 2.672 178.956 176.300 -0.026 0.000 1.068 273 M CA 0.682 55.899 55.300 -0.138 0.000 1.118 273 M CB -0.369 32.085 32.600 -0.245 0.000 1.395 273 M HN 0.201 nan 8.290 nan 0.000 0.435 274 S N 0.810 116.490 115.700 -0.033 0.000 2.353 274 S HA -0.203 4.287 4.470 0.034 0.000 0.222 274 S C 1.592 176.183 174.600 -0.014 0.000 1.035 274 S CA 1.848 60.037 58.200 -0.019 0.000 1.025 274 S CB -0.117 63.071 63.200 -0.020 0.000 0.902 274 S HN 0.490 nan 8.310 nan 0.000 0.440 275 E N -0.018 120.176 120.200 -0.010 0.000 2.049 275 E HA -0.154 4.217 4.350 0.034 0.000 0.198 275 E C 2.436 179.015 176.600 -0.035 0.000 1.007 275 E CA 1.961 58.353 56.400 -0.013 0.000 0.809 275 E CB -0.419 29.283 29.700 0.003 0.000 0.749 275 E HN 0.832 nan 8.360 nan 0.000 0.450 276 T N -2.045 112.500 114.554 -0.015 0.000 2.851 276 T HA -0.012 4.359 4.350 0.034 0.000 0.262 276 T C 1.331 175.819 174.700 -0.354 0.000 1.043 276 T CA 0.969 62.999 62.100 -0.117 0.000 1.140 276 T CB 0.103 69.037 68.868 0.110 0.000 0.872 276 T HN 0.061 nan 8.240 nan 0.000 0.446 277 R N -0.933 119.477 120.500 -0.150 0.000 3.728 277 R HA -0.133 4.227 4.340 0.034 0.000 0.478 277 R C -1.132 175.078 176.300 -0.150 0.000 0.932 277 R CA 0.445 56.454 56.100 -0.151 0.000 1.317 277 R CB -2.697 27.483 30.300 -0.200 0.000 1.987 277 R HN 0.618 nan 8.270 nan 0.000 0.509 278 Y N 0.032 120.379 120.300 0.077 0.000 2.357 278 Y HA 0.136 4.707 4.550 0.034 0.000 0.340 278 Y C 2.113 177.996 175.900 -0.029 0.000 1.260 278 Y CA 0.329 58.365 58.100 -0.106 0.000 1.425 278 Y CB 0.737 38.928 38.460 -0.449 0.000 1.326 278 Y HN 0.177 nan 8.280 nan 0.000 0.580 279 S N -0.286 115.482 115.700 0.113 0.000 2.446 279 S HA 0.118 4.608 4.470 0.034 0.000 0.225 279 S C 0.122 174.791 174.600 0.114 0.000 1.016 279 S CA 0.257 58.523 58.200 0.110 0.000 0.943 279 S CB -0.036 63.205 63.200 0.068 0.000 0.786 279 S HN 0.691 nan 8.310 nan 0.000 0.508 280 N N 0.053 118.721 118.700 -0.053 0.000 2.287 280 N HA 0.368 5.129 4.740 0.034 0.000 0.289 280 N C -2.203 173.141 175.510 -0.275 0.000 1.066 280 N CA -0.358 52.678 53.050 -0.023 0.000 0.841 280 N CB 1.825 40.301 38.487 -0.018 0.000 1.599 280 N HN 0.243 nan 8.380 nan 0.000 0.476 281 Y N 0.887 121.201 120.300 0.023 0.000 2.338 281 Y HA 0.363 4.934 4.550 0.035 0.000 0.333 281 Y C -2.042 173.858 175.900 0.000 0.000 0.968 281 Y CA -1.840 56.267 58.100 0.011 0.000 1.123 281 Y CB 2.114 40.595 38.460 0.035 0.000 1.165 281 Y HN 0.300 nan 8.280 nan 0.000 0.452 282 P HA 0.082 nan 4.420 nan 0.000 0.271 282 P C -0.677 176.671 177.300 0.079 0.000 1.218 282 P CA -0.067 63.069 63.100 0.059 0.000 0.780 282 P CB 1.564 33.275 31.700 0.018 0.000 0.901 283 V N 4.188 124.136 119.914 0.057 0.000 2.417 283 V HA 0.430 4.570 4.120 0.034 0.000 0.291 283 V C 0.637 176.754 176.094 0.038 0.000 1.024 283 V CA -0.622 61.708 62.300 0.049 0.000 0.861 283 V CB 1.130 32.978 31.823 0.041 0.000 0.985 283 V HN 0.449 nan 8.190 nan 0.000 0.436 284 I N 1.226 121.820 120.570 0.039 0.000 2.910 284 I HA 0.869 5.059 4.170 0.034 0.000 0.310 284 I C -0.397 175.741 176.117 0.036 0.000 1.043 284 I CA -0.792 60.532 61.300 0.040 0.000 1.053 284 I CB 2.187 40.216 38.000 0.048 0.000 1.242 284 I HN 0.635 nan 8.210 nan 0.000 0.452 285 D N 1.643 122.067 120.400 0.040 0.000 2.564 285 D HA 0.233 4.894 4.640 0.034 0.000 0.273 285 D C 0.561 176.884 176.300 0.038 0.000 1.192 285 D CA -0.393 53.628 54.000 0.035 0.000 1.080 285 D CB 0.483 41.301 40.800 0.030 0.000 1.160 285 D HN 0.639 nan 8.370 nan 0.000 0.607 286 E N -0.744 119.475 120.200 0.032 0.000 2.209 286 E HA -0.160 4.210 4.350 0.034 0.000 0.196 286 E C 0.512 177.134 176.600 0.037 0.000 0.993 286 E CA 1.383 57.799 56.400 0.028 0.000 0.819 286 E CB -0.617 29.096 29.700 0.022 0.000 0.745 286 E HN 0.468 nan 8.360 nan 0.000 0.477 287 N N 0.236 118.973 118.700 0.062 0.000 2.251 287 N HA 0.142 4.902 4.740 0.034 0.000 0.217 287 N C -0.400 175.206 175.510 0.159 0.000 1.124 287 N CA -0.062 53.048 53.050 0.100 0.000 0.843 287 N CB 0.429 38.996 38.487 0.133 0.000 1.024 287 N HN 0.027 nan 8.380 nan 0.000 0.501 288 N N 0.194 118.962 118.700 0.114 0.000 2.878 288 N HA -0.174 4.586 4.740 0.034 0.000 0.247 288 N C -1.024 174.633 175.510 0.245 0.000 1.021 288 N CA 0.903 54.032 53.050 0.132 0.000 0.873 288 N CB -0.583 37.918 38.487 0.024 0.000 1.128 288 N HN 0.415 nan 8.380 nan 0.000 0.571 289 K N 0.795 121.309 120.400 0.190 0.000 2.205 289 K HA 0.389 4.729 4.320 0.034 0.000 0.279 289 K C 0.243 176.866 176.600 0.037 0.000 1.027 289 K CA -0.465 55.867 56.287 0.075 0.000 0.932 289 K CB 1.823 34.308 32.500 -0.025 0.000 1.032 289 K HN -0.166 nan 8.250 nan 0.000 0.466 290 V N 4.002 123.926 119.914 0.016 0.000 2.415 290 V HA -0.037 4.104 4.120 0.034 0.000 0.267 290 V C 0.895 176.992 176.094 0.005 0.000 1.042 290 V CA 0.240 62.549 62.300 0.015 0.000 1.000 290 V CB 0.971 32.800 31.823 0.010 0.000 1.015 290 V HN 0.659 nan 8.190 nan 0.000 0.478 291 V N 4.378 124.300 119.914 0.013 0.000 3.621 291 V HA 0.544 4.684 4.120 0.034 0.000 0.263 291 V C 1.033 177.134 176.094 0.011 0.000 1.272 291 V CA 1.287 63.592 62.300 0.009 0.000 1.080 291 V CB 0.294 32.125 31.823 0.013 0.000 0.816 291 V HN 1.046 nan 8.190 nan 0.000 0.451 292 G N -0.108 108.702 108.800 0.016 0.000 2.367 292 G HA2 0.423 4.403 3.960 0.034 0.000 0.272 292 G HA3 0.423 4.403 3.960 0.034 0.000 0.272 292 G C -0.926 173.990 174.900 0.027 0.000 1.271 292 G CA 0.316 45.427 45.100 0.018 0.000 0.893 292 G HN 0.676 nan 8.290 nan 0.000 0.485 293 S N -1.307 114.413 115.700 0.033 0.000 2.570 293 S HA 0.809 5.300 4.470 0.034 0.000 0.270 293 S C -0.982 173.656 174.600 0.063 0.000 1.149 293 S CA -0.143 58.089 58.200 0.053 0.000 0.837 293 S CB 1.625 64.849 63.200 0.039 0.000 1.124 293 S HN 1.943 nan 8.310 nan 0.000 0.465 294 I N -0.413 120.218 120.570 0.101 0.000 2.686 294 I HA 0.916 5.107 4.170 0.034 0.000 0.295 294 I C -0.093 176.115 176.117 0.152 0.000 1.114 294 I CA -1.433 59.925 61.300 0.097 0.000 1.038 294 I CB 1.689 39.730 38.000 0.068 0.000 1.238 294 I HN 0.875 nan 8.210 nan 0.000 0.420 295 A N 4.732 127.618 122.820 0.111 0.000 2.322 295 A HA 0.608 4.949 4.320 0.034 0.000 0.269 295 A C 0.455 178.115 177.584 0.127 0.000 1.094 295 A CA -0.583 51.529 52.037 0.126 0.000 0.807 295 A CB 0.526 19.572 19.000 0.078 0.000 1.047 295 A HN 0.979 nan 8.150 nan 0.000 0.487 296 R N 0.000 120.596 120.500 0.161 0.000 2.786 296 R HA 0.000 4.361 4.340 0.034 0.000 0.208 296 R CA 0.000 56.167 56.100 0.113 0.000 0.921 296 R CB 0.000 30.403 30.300 0.172 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535