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 3nlh_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LXXXXXXXXX DATA SEQUENCE XXXXXAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RDLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 67 G C 0.000 174.796 174.900 -0.173 0.000 0.946 67 G CA 0.000 45.047 45.100 -0.089 0.000 0.502 68 P HA 0.281 nan 4.420 nan 0.000 0.269 68 P C -0.521 176.698 177.300 -0.135 0.000 1.215 68 P CA -0.184 62.780 63.100 -0.227 0.000 0.780 68 P CB 0.974 32.547 31.700 -0.210 0.000 0.898 69 K N 1.679 121.918 120.400 -0.268 0.000 2.751 69 K HA 0.254 4.579 4.320 0.008 0.000 0.252 69 K C -0.870 175.353 176.600 -0.628 0.000 1.277 69 K CA -0.047 56.028 56.287 -0.353 0.000 1.226 69 K CB -0.646 31.643 32.500 -0.352 0.000 1.658 69 K HN 0.362 nan 8.250 nan 0.000 0.303 70 F N -0.093 119.886 119.950 0.049 0.000 2.626 70 F HA 0.329 4.862 4.527 0.009 0.000 0.311 70 F C -2.139 173.761 175.800 0.166 0.000 1.088 70 F CA -2.698 55.348 58.000 0.077 0.000 0.949 70 F CB 1.421 40.467 39.000 0.077 0.000 1.322 70 F HN 0.114 nan 8.300 nan 0.000 0.461 71 P HA 0.078 nan 4.420 nan 0.000 0.264 71 P C -0.916 176.471 177.300 0.146 0.000 1.193 71 P CA -0.164 63.045 63.100 0.183 0.000 0.763 71 P CB 0.526 32.300 31.700 0.124 0.000 0.810 72 R N 2.889 123.399 120.500 0.015 0.000 2.308 72 R HA 0.423 4.768 4.340 0.008 0.000 0.305 72 R C -1.272 174.901 176.300 -0.211 0.000 1.053 72 R CA -0.513 55.378 56.100 -0.348 0.000 0.957 72 R CB 0.505 30.601 30.300 -0.339 0.000 1.022 72 R HN 0.228 nan 8.270 nan 0.000 0.461 73 V N 5.219 124.979 119.914 -0.258 0.000 2.407 73 V HA 0.326 4.451 4.120 0.008 0.000 0.291 73 V C -0.364 175.640 176.094 -0.150 0.000 1.018 73 V CA -0.756 61.476 62.300 -0.113 0.000 0.842 73 V CB 1.442 33.239 31.823 -0.043 0.000 0.996 73 V HN 0.739 nan 8.190 nan 0.000 0.426 74 K N 3.865 124.192 120.400 -0.123 0.000 2.203 74 K HA 0.443 4.768 4.320 0.008 0.000 0.251 74 K C -0.437 176.063 176.600 -0.168 0.000 0.944 74 K CA -0.677 55.454 56.287 -0.261 0.000 0.829 74 K CB 1.387 33.565 32.500 -0.538 0.000 1.125 74 K HN 0.698 nan 8.250 nan 0.000 0.430 75 N N 3.852 122.443 118.700 -0.182 0.000 2.437 75 N HA 0.106 4.851 4.740 0.008 0.000 0.259 75 N C -0.406 175.056 175.510 -0.080 0.000 0.983 75 N CA -0.326 52.717 53.050 -0.013 0.000 0.937 75 N CB 0.555 39.065 38.487 0.039 0.000 1.122 75 N HN 0.691 nan 8.380 nan 0.000 0.499 76 W N 2.043 123.420 121.300 0.129 0.000 2.905 76 W HA 0.153 4.818 4.660 0.008 0.000 0.251 76 W C 2.068 178.631 176.519 0.074 0.000 1.305 76 W CA -0.166 57.244 57.345 0.110 0.000 1.465 76 W CB 0.408 29.956 29.460 0.147 0.000 1.122 76 W HN 0.667 nan 8.180 nan 0.000 0.659 77 E N 0.442 120.779 120.200 0.228 0.000 2.076 77 E HA -0.116 4.239 4.350 0.008 0.000 0.190 77 E C 1.712 178.337 176.600 0.041 0.000 0.979 77 E CA 1.044 57.476 56.400 0.055 0.000 0.807 77 E CB -0.173 29.522 29.700 -0.007 0.000 0.761 77 E HN 0.262 nan 8.360 nan 0.000 0.454 78 L N -1.055 120.190 121.223 0.037 0.000 2.556 78 L HA 0.317 4.662 4.340 0.008 0.000 0.226 78 L C 1.473 178.324 176.870 -0.032 0.000 1.089 78 L CA 0.415 55.258 54.840 0.005 0.000 0.864 78 L CB 0.659 42.724 42.059 0.011 0.000 1.067 78 L HN 0.424 nan 8.230 nan 0.000 0.477 79 G N 0.669 109.422 108.800 -0.078 0.000 2.159 79 G HA2 -0.298 3.666 3.960 0.008 0.000 0.256 79 G HA3 -0.298 3.666 3.960 0.008 0.000 0.256 79 G C 0.353 175.155 174.900 -0.163 0.000 0.977 79 G CA 0.431 45.440 45.100 -0.153 0.000 0.652 79 G HN 0.450 nan 8.290 nan 0.000 0.531 80 S N -0.042 115.582 115.700 -0.128 0.000 2.610 80 S HA 0.809 5.284 4.470 0.008 0.000 0.273 80 S C 0.023 174.533 174.600 -0.150 0.000 1.274 80 S CA -0.787 57.348 58.200 -0.108 0.000 1.023 80 S CB 2.138 65.302 63.200 -0.060 0.000 0.962 80 S HN 0.458 nan 8.310 nan 0.000 0.523 81 I N 2.372 122.862 120.570 -0.135 0.000 2.545 81 I HA 0.522 4.697 4.170 0.008 0.000 0.292 81 I C 0.380 176.406 176.117 -0.152 0.000 1.040 81 I CA -0.240 60.948 61.300 -0.187 0.000 1.068 81 I CB 1.602 39.485 38.000 -0.195 0.000 1.251 81 I HN 1.050 nan 8.210 nan 0.000 0.424 82 T N 2.221 116.653 114.554 -0.203 0.000 2.887 82 T HA 0.717 5.071 4.350 0.008 0.000 0.292 82 T C -1.169 173.355 174.700 -0.292 0.000 1.087 82 T CA -0.662 61.359 62.100 -0.131 0.000 1.009 82 T CB 1.927 70.763 68.868 -0.054 0.000 1.203 82 T HN 0.241 nan 8.240 nan 0.000 0.518 83 Y N 0.185 120.478 120.300 -0.011 0.000 2.393 83 Y HA 0.493 5.048 4.550 0.008 0.000 0.341 83 Y C 0.064 175.939 175.900 -0.041 0.000 0.988 83 Y CA -0.960 57.146 58.100 0.009 0.000 1.078 83 Y CB 1.672 40.157 38.460 0.043 0.000 1.203 83 Y HN 0.704 nan 8.280 nan 0.000 0.453 84 D N 1.785 122.254 120.400 0.116 0.000 2.347 84 D HA 0.097 4.742 4.640 0.008 0.000 0.235 84 D C 0.637 176.869 176.300 -0.113 0.000 1.149 84 D CA 0.024 54.035 54.000 0.018 0.000 0.850 84 D CB 1.305 42.148 40.800 0.072 0.000 1.061 84 D HN 0.793 nan 8.370 nan 0.000 0.487 85 T N 1.155 115.512 114.554 -0.328 0.000 3.014 85 T HA -0.049 4.306 4.350 0.008 0.000 0.250 85 T C 1.872 176.382 174.700 -0.317 0.000 1.060 85 T CA -0.218 61.483 62.100 -0.665 0.000 1.040 85 T CB 0.083 68.396 68.868 -0.926 0.000 0.971 85 T HN 0.257 nan 8.240 nan 0.000 0.497 86 L N 2.529 123.639 121.223 -0.189 0.000 2.131 86 L HA 0.001 4.346 4.340 0.008 0.000 0.210 86 L C 2.666 179.397 176.870 -0.231 0.000 1.092 86 L CA 1.390 56.165 54.840 -0.107 0.000 0.759 86 L CB -0.980 41.102 42.059 0.039 0.000 0.903 86 L HN 0.666 nan 8.230 nan 0.000 0.435 87 C N -1.438 117.540 119.300 -0.538 0.000 2.410 87 C HA -0.010 4.455 4.460 0.008 0.000 0.281 87 C C 2.804 177.572 174.990 -0.370 0.000 1.318 87 C CA 0.206 58.630 59.018 -0.991 0.000 1.776 87 C CB -2.244 24.872 27.740 -1.039 0.000 1.942 87 C HN 0.590 nan 8.230 nan 0.000 0.508 88 A N 0.081 122.819 122.820 -0.136 0.000 2.125 88 A HA -0.115 4.210 4.320 0.008 0.000 0.219 88 A C 2.236 179.810 177.584 -0.016 0.000 1.156 88 A CA 1.538 53.571 52.037 -0.006 0.000 0.671 88 A CB -0.453 18.625 19.000 0.130 0.000 0.794 88 A HN 0.708 nan 8.150 nan 0.000 0.459 89 Q N -0.005 119.773 119.800 -0.037 0.000 2.451 89 Q HA 0.074 4.419 4.340 0.008 0.000 0.206 89 Q C 0.757 176.777 176.000 0.032 0.000 0.947 89 Q CA 0.301 56.109 55.803 0.008 0.000 0.937 89 Q CB -0.354 28.397 28.738 0.021 0.000 1.025 89 Q HN 0.507 nan 8.270 nan 0.000 0.511 90 S N 1.223 116.933 115.700 0.017 0.000 2.516 90 S HA 0.021 4.496 4.470 0.008 0.000 0.282 90 S C 0.720 175.348 174.600 0.048 0.000 1.286 90 S CA -0.002 58.238 58.200 0.068 0.000 1.066 90 S CB 0.397 63.648 63.200 0.085 0.000 0.884 90 S HN 0.095 nan 8.310 nan 0.000 0.491 91 Q N 2.450 122.283 119.800 0.056 0.000 2.155 91 Q HA 0.247 4.592 4.340 0.008 0.000 0.220 91 Q C -0.508 175.516 176.000 0.040 0.000 0.819 91 Q CA -0.015 55.814 55.803 0.044 0.000 1.032 91 Q CB 0.805 29.570 28.738 0.046 0.000 1.151 91 Q HN 0.776 nan 8.270 nan 0.000 0.487 92 Q N 0.848 120.676 119.800 0.046 0.000 2.268 92 Q HA 0.249 4.594 4.340 0.008 0.000 0.266 92 Q C -1.654 174.374 176.000 0.046 0.000 1.006 92 Q CA -0.343 55.483 55.803 0.039 0.000 0.824 92 Q CB 1.306 30.064 28.738 0.033 0.000 1.306 92 Q HN -0.169 nan 8.270 nan 0.000 0.424 93 D N 2.563 122.985 120.400 0.037 0.000 2.382 93 D HA 0.403 5.048 4.640 0.008 0.000 0.245 93 D C 0.354 176.678 176.300 0.040 0.000 1.120 93 D CA 0.502 54.525 54.000 0.039 0.000 0.890 93 D CB 1.255 42.073 40.800 0.030 0.000 1.201 93 D HN 0.671 nan 8.370 nan 0.000 0.433 94 G N 1.110 109.939 108.800 0.048 0.000 2.531 94 G HA2 0.359 4.324 3.960 0.008 0.000 0.281 94 G HA3 0.359 4.324 3.960 0.008 0.000 0.281 94 G C -1.417 173.507 174.900 0.040 0.000 1.382 94 G CA -0.634 44.492 45.100 0.044 0.000 1.045 94 G HN 0.360 nan 8.290 nan 0.000 0.533 95 P HA 0.175 nan 4.420 nan 0.000 0.240 95 P C 0.230 177.553 177.300 0.037 0.000 1.190 95 P CA -0.080 63.043 63.100 0.038 0.000 0.781 95 P CB 0.102 31.827 31.700 0.043 0.000 0.931 96 C N 0.861 120.185 119.300 0.040 0.000 2.534 96 C HA 0.592 5.057 4.460 0.008 0.000 0.385 96 C C 1.099 176.107 174.990 0.030 0.000 1.264 96 C CA 0.042 59.082 59.018 0.037 0.000 2.342 96 C CB 0.832 28.597 27.740 0.042 0.000 2.564 96 C HN 0.385 nan 8.230 nan 0.000 0.603 97 T N -1.052 113.517 114.554 0.025 0.000 2.864 97 T HA 0.458 4.813 4.350 0.008 0.000 0.289 97 T C -2.306 172.404 174.700 0.017 0.000 1.082 97 T CA -1.200 60.911 62.100 0.020 0.000 1.009 97 T CB 1.178 70.056 68.868 0.016 0.000 1.234 97 T HN 0.287 nan 8.240 nan 0.000 0.526 98 P HA 0.050 nan 4.420 nan 0.000 0.218 98 P C 1.506 178.811 177.300 0.009 0.000 1.148 98 P CA 0.791 63.897 63.100 0.011 0.000 0.822 98 P CB 0.141 31.845 31.700 0.008 0.000 0.784 99 R N -0.848 119.657 120.500 0.009 0.000 2.119 99 R HA 0.032 4.377 4.340 0.008 0.000 0.222 99 R C 0.747 177.051 176.300 0.008 0.000 1.088 99 R CA 0.749 56.854 56.100 0.008 0.000 0.984 99 R CB 0.123 30.427 30.300 0.007 0.000 0.884 99 R HN 0.202 nan 8.270 nan 0.000 0.447 100 R N -0.329 120.178 120.500 0.011 0.000 2.594 100 R HA 0.118 4.463 4.340 0.008 0.000 0.265 100 R C -1.607 174.703 176.300 0.017 0.000 1.070 100 R CA -0.693 55.414 56.100 0.012 0.000 0.909 100 R CB 0.154 30.462 30.300 0.012 0.000 1.243 100 R HN -0.000 nan 8.270 nan 0.000 0.455 101 C N 4.139 123.449 119.300 0.017 0.000 2.325 101 C HA 0.519 4.984 4.460 0.008 0.000 0.347 101 C C 0.307 175.315 174.990 0.031 0.000 1.263 101 C CA -0.569 58.463 59.018 0.024 0.000 1.806 101 C CB -0.608 27.142 27.740 0.017 0.000 2.405 101 C HN 0.664 nan 8.230 nan 0.000 0.537 102 L N 6.332 127.579 121.223 0.040 0.000 3.017 102 L HA 0.333 4.678 4.340 0.008 0.000 0.255 102 L C 2.031 178.942 176.870 0.067 0.000 1.247 102 L CA 0.685 55.555 54.840 0.049 0.000 1.038 102 L CB -0.330 41.756 42.059 0.045 0.000 1.380 102 L HN 1.051 nan 8.230 nan 0.000 0.548 103 G N -0.416 108.426 108.800 0.071 0.000 2.479 103 G HA2 -0.263 3.702 3.960 0.008 0.000 0.220 103 G HA3 -0.263 3.702 3.960 0.008 0.000 0.220 103 G C 1.500 176.483 174.900 0.139 0.000 1.115 103 G CA 1.143 46.299 45.100 0.095 0.000 0.757 103 G HN 0.523 nan 8.290 nan 0.000 0.560 104 S N -0.226 115.552 115.700 0.130 0.000 2.593 104 S HA 0.296 4.771 4.470 0.008 0.000 0.217 104 S C 0.946 175.653 174.600 0.179 0.000 0.966 104 S CA -0.500 57.801 58.200 0.168 0.000 0.914 104 S CB -0.210 63.062 63.200 0.119 0.000 0.776 104 S HN 0.175 nan 8.310 nan 0.000 0.523 105 L N 2.006 123.315 121.223 0.143 0.000 2.416 105 L HA 0.211 4.556 4.340 0.008 0.000 0.272 105 L C 1.485 178.469 176.870 0.190 0.000 1.161 105 L CA -0.548 54.373 54.840 0.135 0.000 0.845 105 L CB 0.751 42.865 42.059 0.091 0.000 1.119 105 L HN 0.028 nan 8.230 nan 0.000 0.464 106 V N 4.109 124.148 119.914 0.208 0.000 2.379 106 V HA -0.132 3.993 4.120 0.008 0.000 0.245 106 V C 1.157 177.359 176.094 0.180 0.000 1.044 106 V CA 1.273 63.742 62.300 0.282 0.000 1.036 106 V CB -0.195 31.786 31.823 0.262 0.000 0.664 106 V HN 0.502 nan 8.190 nan 0.000 0.453 123 E N 0.340 120.542 120.200 0.004 0.000 2.110 123 E HA -0.175 4.180 4.350 0.008 0.000 0.193 123 E C 1.955 178.558 176.600 0.006 0.000 0.988 123 E CA 1.758 58.160 56.400 0.002 0.000 0.804 123 E CB -0.081 29.620 29.700 0.002 0.000 0.745 123 E HN 0.647 nan 8.360 nan 0.000 0.458 124 Q N 0.395 120.201 119.800 0.009 0.000 2.083 124 Q HA -0.050 4.295 4.340 0.008 0.000 0.198 124 Q C 2.048 178.061 176.000 0.022 0.000 0.969 124 Q CA 1.081 56.892 55.803 0.014 0.000 0.838 124 Q CB -0.254 28.491 28.738 0.011 0.000 0.900 124 Q HN 0.405 nan 8.270 nan 0.000 0.436 125 L N -0.479 120.759 121.223 0.024 0.000 2.012 125 L HA -0.176 4.169 4.340 0.008 0.000 0.210 125 L C 1.993 178.887 176.870 0.040 0.000 1.073 125 L CA 1.123 55.990 54.840 0.044 0.000 0.748 125 L CB -0.287 41.803 42.059 0.052 0.000 0.891 125 L HN 0.371 nan 8.230 nan 0.000 0.431 126 L N -0.291 120.937 121.223 0.008 0.000 2.046 126 L HA -0.203 4.142 4.340 0.008 0.000 0.208 126 L C 2.906 179.768 176.870 -0.013 0.000 1.077 126 L CA 2.111 56.934 54.840 -0.028 0.000 0.747 126 L CB -0.587 41.453 42.059 -0.031 0.000 0.896 126 L HN 0.552 nan 8.230 nan 0.000 0.432 127 S N -1.826 113.880 115.700 0.010 0.000 2.383 127 S HA -0.236 4.239 4.470 0.008 0.000 0.227 127 S C 1.877 176.508 174.600 0.051 0.000 1.026 127 S CA 1.071 59.285 58.200 0.023 0.000 0.981 127 S CB -0.570 62.643 63.200 0.022 0.000 0.818 127 S HN 0.594 nan 8.310 nan 0.000 0.472 128 Q N 1.052 120.889 119.800 0.062 0.000 2.119 128 Q HA 0.079 4.424 4.340 0.008 0.000 0.201 128 Q C 2.605 178.698 176.000 0.155 0.000 0.972 128 Q CA 1.315 57.178 55.803 0.099 0.000 0.847 128 Q CB -0.505 28.283 28.738 0.084 0.000 0.903 128 Q HN 0.779 nan 8.270 nan 0.000 0.433 129 A N 1.334 124.222 122.820 0.114 0.000 1.855 129 A HA -0.188 4.137 4.320 0.008 0.000 0.215 129 A C 2.004 179.653 177.584 0.108 0.000 1.191 129 A CA 1.196 53.291 52.037 0.096 0.000 0.613 129 A CB -0.415 18.427 19.000 -0.265 0.000 0.829 129 A HN 0.189 nan 8.150 nan 0.000 0.442 130 R N -0.536 119.987 120.500 0.039 0.000 2.096 130 R HA -0.218 4.127 4.340 0.008 0.000 0.240 130 R C 2.072 178.443 176.300 0.119 0.000 1.139 130 R CA 1.915 58.049 56.100 0.057 0.000 0.952 130 R CB -0.596 29.717 30.300 0.021 0.000 0.854 130 R HN 0.749 nan 8.270 nan 0.000 0.436 131 D N -0.053 120.425 120.400 0.130 0.000 2.092 131 D HA -0.223 4.422 4.640 0.008 0.000 0.193 131 D C 1.716 178.136 176.300 0.201 0.000 0.994 131 D CA 1.228 55.316 54.000 0.146 0.000 0.828 131 D CB -0.131 40.751 40.800 0.136 0.000 0.963 131 D HN 0.153 nan 8.370 nan 0.000 0.450 132 F N 0.762 120.797 119.950 0.142 0.000 2.126 132 F HA -0.122 4.409 4.527 0.007 0.000 0.299 132 F C 1.926 177.870 175.800 0.240 0.000 1.096 132 F CA 1.109 59.230 58.000 0.202 0.000 1.255 132 F CB -0.194 38.932 39.000 0.210 0.000 0.997 132 F HN 0.035 nan 8.300 nan 0.000 0.479 133 I N 0.790 121.396 120.570 0.060 0.000 2.286 133 I HA -0.282 3.893 4.170 0.008 0.000 0.248 133 I C 1.931 178.098 176.117 0.083 0.000 1.115 133 I CA 1.116 62.453 61.300 0.061 0.000 1.392 133 I CB -1.633 36.496 38.000 0.214 0.000 1.065 133 I HN 0.218 nan 8.210 nan 0.000 0.418 134 N N 1.035 119.796 118.700 0.101 0.000 2.120 134 N HA -0.193 4.552 4.740 0.008 0.000 0.188 134 N C 1.830 177.281 175.510 -0.098 0.000 1.024 134 N CA 1.126 54.199 53.050 0.038 0.000 0.852 134 N CB -0.364 38.197 38.487 0.122 0.000 1.003 134 N HN 0.496 nan 8.380 nan 0.000 0.424 135 Q N -0.619 119.134 119.800 -0.077 0.000 2.050 135 Q HA -0.177 4.168 4.340 0.008 0.000 0.202 135 Q C 1.797 177.561 176.000 -0.394 0.000 0.980 135 Q CA 1.285 57.039 55.803 -0.082 0.000 0.840 135 Q CB -0.287 28.537 28.738 0.143 0.000 0.898 135 Q HN 0.472 nan 8.270 nan 0.000 0.424 136 Y N 0.083 119.919 120.300 -0.773 0.000 2.145 136 Y HA -0.298 4.256 4.550 0.007 0.000 0.286 136 Y C 1.767 177.133 175.900 -0.889 0.000 1.145 136 Y CA 1.640 59.027 58.100 -1.188 0.000 1.148 136 Y CB -0.431 37.423 38.460 -1.010 0.000 0.981 136 Y HN 0.077 nan 8.280 nan 0.000 0.507 137 Y N -0.457 119.478 120.300 -0.609 0.000 2.293 137 Y HA -0.207 4.349 4.550 0.009 0.000 0.291 137 Y C 2.818 178.402 175.900 -0.525 0.000 1.137 137 Y CA 1.642 59.362 58.100 -0.632 0.000 1.202 137 Y CB -0.625 37.341 38.460 -0.824 0.000 0.990 137 Y HN 0.083 nan 8.280 nan 0.000 0.537 138 S N -0.493 115.007 115.700 -0.333 0.000 2.359 138 S HA -0.244 4.231 4.470 0.008 0.000 0.224 138 S C 2.302 176.732 174.600 -0.283 0.000 1.035 138 S CA 1.620 59.679 58.200 -0.236 0.000 1.018 138 S CB -0.649 62.459 63.200 -0.153 0.000 0.876 138 S HN 0.659 nan 8.310 nan 0.000 0.448 139 S N 2.149 117.585 115.700 -0.440 0.000 2.423 139 S HA -0.055 4.420 4.470 0.008 0.000 0.231 139 S C 1.653 176.008 174.600 -0.408 0.000 1.014 139 S CA 1.132 59.091 58.200 -0.401 0.000 0.965 139 S CB -0.789 62.054 63.200 -0.595 0.000 0.785 139 S HN 0.726 nan 8.310 nan 0.000 0.495 140 I N -3.040 117.189 120.570 -0.569 0.000 3.875 140 I HA 0.382 4.557 4.170 0.008 0.000 0.329 140 I C -0.229 175.728 176.117 -0.266 0.000 1.295 140 I CA -0.454 60.579 61.300 -0.445 0.000 1.129 140 I CB -0.101 37.526 38.000 -0.622 0.000 1.008 140 I HN -0.109 nan 8.210 nan 0.000 0.413 141 K N 1.837 122.103 120.400 -0.223 0.000 3.117 141 K HA -0.148 4.177 4.320 0.008 0.000 0.269 141 K C -0.057 176.495 176.600 -0.080 0.000 1.098 141 K CA 0.487 56.698 56.287 -0.127 0.000 0.785 141 K CB -1.812 30.632 32.500 -0.093 0.000 1.242 141 K HN 0.552 nan 8.250 nan 0.000 0.491 142 R N -0.256 120.205 120.500 -0.066 0.000 2.662 142 R HA 0.110 4.455 4.340 0.008 0.000 0.396 142 R C 0.116 176.459 176.300 0.072 0.000 1.096 142 R CA -0.281 55.845 56.100 0.043 0.000 1.081 142 R CB 0.881 31.270 30.300 0.149 0.000 1.382 142 R HN 0.152 nan 8.270 nan 0.000 0.580 143 S N -0.152 115.549 115.700 0.002 0.000 2.537 143 S HA 0.273 4.748 4.470 0.008 0.000 0.286 143 S C 1.338 176.038 174.600 0.167 0.000 1.299 143 S CA 1.342 59.567 58.200 0.041 0.000 1.067 143 S CB 0.377 63.570 63.200 -0.011 0.000 0.864 143 S HN 0.747 nan 8.310 nan 0.000 0.494 144 G N 3.239 112.273 108.800 0.390 0.000 2.184 144 G HA2 -0.297 3.668 3.960 0.008 0.000 0.264 144 G HA3 -0.297 3.668 3.960 0.008 0.000 0.264 144 G C 0.274 175.191 174.900 0.029 0.000 0.975 144 G CA 0.535 45.700 45.100 0.107 0.000 0.642 144 G HN 1.515 nan 8.290 nan 0.000 0.536 145 S N -0.553 115.185 115.700 0.063 0.000 2.608 145 S HA 0.455 4.930 4.470 0.008 0.000 0.261 145 S C 1.344 175.923 174.600 -0.036 0.000 1.314 145 S CA 0.660 58.870 58.200 0.016 0.000 0.992 145 S CB 1.552 64.779 63.200 0.046 0.000 0.935 145 S HN 0.489 nan 8.310 nan 0.000 0.564 146 Q N 0.770 120.551 119.800 -0.032 0.000 2.167 146 Q HA -0.124 4.221 4.340 0.008 0.000 0.202 146 Q C 2.061 178.024 176.000 -0.061 0.000 0.970 146 Q CA 1.644 57.416 55.803 -0.052 0.000 0.855 146 Q CB -0.748 27.972 28.738 -0.029 0.000 0.911 146 Q HN 0.926 nan 8.270 nan 0.000 0.438 147 A N 0.365 123.168 122.820 -0.029 0.000 1.930 147 A HA -0.214 4.111 4.320 0.008 0.000 0.217 147 A C 1.990 179.437 177.584 -0.228 0.000 1.175 147 A CA 1.524 53.554 52.037 -0.012 0.000 0.627 147 A CB -1.010 18.069 19.000 0.132 0.000 0.815 147 A HN 0.709 nan 8.150 nan 0.000 0.443 148 H N -0.562 118.145 119.070 -0.604 0.000 2.321 148 H HA -0.119 4.442 4.556 0.009 0.000 0.300 148 H C 1.844 176.851 175.328 -0.536 0.000 1.087 148 H CA 1.356 56.743 56.048 -1.102 0.000 1.319 148 H CB 0.127 29.442 29.762 -0.745 0.000 1.379 148 H HN 0.433 nan 8.280 nan 0.000 0.501 149 E N 0.736 120.714 120.200 -0.370 0.000 2.106 149 E HA -0.148 4.207 4.350 0.008 0.000 0.192 149 E C 2.116 178.603 176.600 -0.189 0.000 0.984 149 E CA 0.838 57.048 56.400 -0.317 0.000 0.806 149 E CB -0.147 29.415 29.700 -0.230 0.000 0.750 149 E HN 0.683 nan 8.360 nan 0.000 0.458 150 E N 0.501 120.620 120.200 -0.135 0.000 2.106 150 E HA -0.176 4.179 4.350 0.008 0.000 0.192 150 E C 2.162 178.735 176.600 -0.046 0.000 0.984 150 E CA 0.784 57.143 56.400 -0.069 0.000 0.806 150 E CB -0.005 29.676 29.700 -0.032 0.000 0.750 150 E HN -0.080 nan 8.360 nan 0.000 0.458 151 R N 1.181 121.648 120.500 -0.056 0.000 2.075 151 R HA -0.083 4.262 4.340 0.008 0.000 0.232 151 R C 2.048 178.349 176.300 0.002 0.000 1.126 151 R CA 1.150 57.266 56.100 0.027 0.000 0.963 151 R CB -0.618 29.766 30.300 0.140 0.000 0.858 151 R HN 0.152 nan 8.270 nan 0.000 0.435 152 L N 0.224 121.411 121.223 -0.061 0.000 2.012 152 L HA -0.258 4.087 4.340 0.008 0.000 0.210 152 L C 2.599 179.425 176.870 -0.075 0.000 1.073 152 L CA 1.923 56.717 54.840 -0.076 0.000 0.748 152 L CB -0.503 41.468 42.059 -0.147 0.000 0.891 152 L HN 0.354 nan 8.230 nan 0.000 0.431 153 Q N -0.707 119.050 119.800 -0.073 0.000 2.124 153 Q HA -0.250 4.095 4.340 0.008 0.000 0.202 153 Q C 2.182 178.164 176.000 -0.030 0.000 0.977 153 Q CA 1.455 57.227 55.803 -0.053 0.000 0.850 153 Q CB -0.082 28.627 28.738 -0.049 0.000 0.901 153 Q HN 0.463 nan 8.270 nan 0.000 0.429 154 E N 0.096 120.288 120.200 -0.012 0.000 2.106 154 E HA -0.150 4.205 4.350 0.008 0.000 0.192 154 E C 1.981 178.589 176.600 0.014 0.000 0.984 154 E CA 0.903 57.313 56.400 0.017 0.000 0.806 154 E CB 0.254 29.981 29.700 0.045 0.000 0.750 154 E HN 0.150 nan 8.360 nan 0.000 0.458 155 V N 2.320 122.218 119.914 -0.027 0.000 2.343 155 V HA -0.261 3.864 4.120 0.008 0.000 0.247 155 V C 2.286 178.304 176.094 -0.126 0.000 1.051 155 V CA 2.302 64.530 62.300 -0.121 0.000 1.036 155 V CB -0.631 31.014 31.823 -0.296 0.000 0.654 155 V HN 0.417 nan 8.190 nan 0.000 0.451 156 E N 1.126 121.268 120.200 -0.096 0.000 2.208 156 E HA -0.100 4.255 4.350 0.008 0.000 0.193 156 E C 2.138 178.721 176.600 -0.028 0.000 0.988 156 E CA 1.205 57.564 56.400 -0.068 0.000 0.828 156 E CB -0.343 29.319 29.700 -0.063 0.000 0.763 156 E HN 0.528 nan 8.360 nan 0.000 0.478 157 A N 2.033 124.845 122.820 -0.013 0.000 1.930 157 A HA -0.182 4.143 4.320 0.008 0.000 0.217 157 A C 2.095 179.695 177.584 0.027 0.000 1.175 157 A CA 1.235 53.276 52.037 0.007 0.000 0.627 157 A CB -0.333 18.674 19.000 0.012 0.000 0.815 157 A HN 0.187 nan 8.150 nan 0.000 0.443 158 E N -0.248 119.978 120.200 0.043 0.000 2.051 158 E HA -0.142 4.213 4.350 0.008 0.000 0.192 158 E C 2.075 178.716 176.600 0.068 0.000 0.991 158 E CA 1.560 58.009 56.400 0.081 0.000 0.799 158 E CB -0.250 29.536 29.700 0.142 0.000 0.748 158 E HN 0.400 nan 8.360 nan 0.000 0.449 159 V N 1.370 121.312 119.914 0.047 0.000 2.407 159 V HA -0.260 3.865 4.120 0.008 0.000 0.248 159 V C 2.386 178.494 176.094 0.024 0.000 1.055 159 V CA 1.694 64.017 62.300 0.038 0.000 1.049 159 V CB -0.762 31.066 31.823 0.008 0.000 0.662 159 V HN 0.284 nan 8.190 nan 0.000 0.455 160 A N 0.811 123.640 122.820 0.015 0.000 1.883 160 A HA -0.229 4.096 4.320 0.008 0.000 0.217 160 A C 2.472 180.068 177.584 0.019 0.000 1.186 160 A CA 2.621 54.665 52.037 0.012 0.000 0.624 160 A CB -0.643 18.360 19.000 0.006 0.000 0.822 160 A HN 0.699 nan 8.150 nan 0.000 0.444 161 S N -2.116 113.601 115.700 0.028 0.000 2.503 161 S HA 0.005 4.480 4.470 0.008 0.000 0.215 161 S C 1.476 176.098 174.600 0.037 0.000 1.003 161 S CA 1.265 59.484 58.200 0.031 0.000 0.910 161 S CB -0.276 62.944 63.200 0.034 0.000 0.790 161 S HN 0.804 nan 8.310 nan 0.000 0.514 162 T N -4.014 110.566 114.554 0.044 0.000 2.958 162 T HA 0.538 4.893 4.350 0.008 0.000 0.256 162 T C 1.628 176.349 174.700 0.035 0.000 0.983 162 T CA 0.816 62.945 62.100 0.048 0.000 0.924 162 T CB 0.135 69.047 68.868 0.073 0.000 1.136 162 T HN 1.132 nan 8.240 nan 0.000 0.506 163 G N 0.448 109.266 108.800 0.030 0.000 2.199 163 G HA2 -0.213 3.752 3.960 0.008 0.000 0.254 163 G HA3 -0.213 3.752 3.960 0.008 0.000 0.254 163 G C 0.217 175.129 174.900 0.020 0.000 0.982 163 G CA 0.625 45.738 45.100 0.021 0.000 0.632 163 G HN 0.988 nan 8.290 nan 0.000 0.529 164 T N -1.285 113.280 114.554 0.017 0.000 2.654 164 T HA 0.736 5.091 4.350 0.008 0.000 0.289 164 T C -1.132 173.593 174.700 0.042 0.000 1.062 164 T CA 0.396 62.489 62.100 -0.011 0.000 1.041 164 T CB 1.561 70.342 68.868 -0.144 0.000 1.417 164 T HN 1.483 nan 8.240 nan 0.000 0.510 165 Y N -0.776 119.353 120.300 -0.286 0.000 2.744 165 Y HA 0.778 5.333 4.550 0.008 0.000 0.330 165 Y C -1.385 174.214 175.900 -0.502 0.000 1.263 165 Y CA -1.172 56.767 58.100 -0.268 0.000 1.065 165 Y CB 0.942 39.360 38.460 -0.070 0.000 1.306 165 Y HN 0.663 nan 8.280 nan 0.000 0.459 166 H N 1.334 120.370 119.070 -0.056 0.000 2.768 166 H HA 0.531 5.092 4.556 0.008 0.000 0.371 166 H C -1.134 174.190 175.328 -0.007 0.000 1.151 166 H CA -0.842 55.130 56.048 -0.127 0.000 1.165 166 H CB 2.576 32.329 29.762 -0.015 0.000 1.722 166 H HN 0.648 nan 8.280 nan 0.000 0.543 167 L N 2.333 123.607 121.223 0.084 0.000 2.350 167 L HA 0.345 4.689 4.340 0.008 0.000 0.275 167 L C 1.050 177.983 176.870 0.105 0.000 1.099 167 L CA -0.557 54.359 54.840 0.128 0.000 0.808 167 L CB 0.745 42.861 42.059 0.095 0.000 1.149 167 L HN 0.341 nan 8.230 nan 0.000 0.442 168 R N 1.458 122.004 120.500 0.075 0.000 2.694 168 R HA -0.024 4.321 4.340 0.008 0.000 0.268 168 R C 1.164 177.462 176.300 -0.004 0.000 1.061 168 R CA -0.209 55.905 56.100 0.024 0.000 1.133 168 R CB 0.688 30.978 30.300 -0.015 0.000 1.020 168 R HN 0.686 nan 8.270 nan 0.000 0.475 169 E N 1.329 121.527 120.200 -0.002 0.000 2.065 169 E HA -0.289 4.066 4.350 0.008 0.000 0.201 169 E C 1.454 178.051 176.600 -0.005 0.000 1.016 169 E CA 2.438 58.831 56.400 -0.011 0.000 0.818 169 E CB 0.065 29.763 29.700 -0.004 0.000 0.749 169 E HN 0.694 nan 8.360 nan 0.000 0.453 170 S N -0.235 115.466 115.700 0.001 0.000 2.428 170 S HA -0.108 4.367 4.470 0.008 0.000 0.230 170 S C 1.722 176.360 174.600 0.063 0.000 1.014 170 S CA 0.978 59.216 58.200 0.062 0.000 0.957 170 S CB -0.169 63.105 63.200 0.124 0.000 0.784 170 S HN 0.329 nan 8.310 nan 0.000 0.499 171 E N 0.989 121.083 120.200 -0.177 0.000 2.077 171 E HA -0.073 4.282 4.350 0.008 0.000 0.193 171 E C 1.990 178.741 176.600 0.252 0.000 0.989 171 E CA 1.131 57.448 56.400 -0.138 0.000 0.800 171 E CB -0.326 29.275 29.700 -0.165 0.000 0.746 171 E HN 0.434 nan 8.360 nan 0.000 0.452 172 L N 0.784 122.056 121.223 0.081 0.000 2.017 172 L HA -0.163 4.182 4.340 0.008 0.000 0.208 172 L C 2.213 179.080 176.870 -0.005 0.000 1.073 172 L CA 1.402 56.227 54.840 -0.025 0.000 0.745 172 L CB -0.370 41.613 42.059 -0.127 0.000 0.894 172 L HN -0.058 nan 8.230 nan 0.000 0.432 173 V N -0.293 119.647 119.914 0.044 0.000 2.255 173 V HA -0.338 3.787 4.120 0.008 0.000 0.247 173 V C 2.360 178.552 176.094 0.163 0.000 1.051 173 V CA 2.291 64.629 62.300 0.062 0.000 1.018 173 V CB -1.056 30.806 31.823 0.064 0.000 0.641 173 V HN 0.584 nan 8.190 nan 0.000 0.445 174 F N 2.070 122.116 119.950 0.159 0.000 2.095 174 F HA -0.081 4.450 4.527 0.007 0.000 0.298 174 F C 2.168 178.119 175.800 0.251 0.000 1.104 174 F CA 1.815 59.960 58.000 0.242 0.000 1.232 174 F CB -0.944 38.272 39.000 0.360 0.000 0.987 174 F HN 0.120 nan 8.300 nan 0.000 0.475 175 G N -0.255 108.634 108.800 0.149 0.000 2.421 175 G HA2 -0.210 3.755 3.960 0.008 0.000 0.216 175 G HA3 -0.210 3.755 3.960 0.008 0.000 0.216 175 G C 1.826 176.589 174.900 -0.229 0.000 1.171 175 G CA 0.883 45.950 45.100 -0.055 0.000 0.775 175 G HN 0.648 nan 8.290 nan 0.000 0.543 176 A N 0.760 123.478 122.820 -0.170 0.000 1.902 176 A HA -0.005 4.320 4.320 0.008 0.000 0.217 176 A C 2.301 179.879 177.584 -0.011 0.000 1.181 176 A CA 1.984 53.928 52.037 -0.154 0.000 0.623 176 A CB -0.357 18.582 19.000 -0.100 0.000 0.818 176 A HN 0.377 nan 8.150 nan 0.000 0.443 177 K N -1.153 119.281 120.400 0.056 0.000 2.097 177 K HA -0.183 4.142 4.320 0.008 0.000 0.206 177 K C 2.361 179.018 176.600 0.095 0.000 1.049 177 K CA 1.586 58.019 56.287 0.243 0.000 0.933 177 K CB -0.102 32.595 32.500 0.328 0.000 0.717 177 K HN 0.443 nan 8.250 nan 0.000 0.442 178 Q N 0.552 120.218 119.800 -0.225 0.000 2.119 178 Q HA -0.035 4.310 4.340 0.008 0.000 0.201 178 Q C 1.833 177.673 176.000 -0.268 0.000 0.972 178 Q CA 1.654 57.217 55.803 -0.401 0.000 0.847 178 Q CB -0.180 28.162 28.738 -0.660 0.000 0.903 178 Q HN 0.317 nan 8.270 nan 0.000 0.433 179 A N -0.613 122.051 122.820 -0.261 0.000 1.933 179 A HA -0.185 4.140 4.320 0.008 0.000 0.218 179 A C 1.817 179.412 177.584 0.019 0.000 1.175 179 A CA 1.456 53.290 52.037 -0.338 0.000 0.628 179 A CB -1.137 17.317 19.000 -0.910 0.000 0.814 179 A HN 0.686 nan 8.150 nan 0.000 0.444 180 W N 0.882 122.188 121.300 0.010 0.000 2.378 180 W HA -0.126 4.538 4.660 0.006 0.000 0.313 180 W C 2.366 178.854 176.519 -0.053 0.000 1.197 180 W CA 1.520 58.911 57.345 0.077 0.000 1.304 180 W CB -0.822 28.678 29.460 0.067 0.000 1.148 180 W HN 0.361 nan 8.180 nan 0.000 0.494 181 R N 0.289 120.704 120.500 -0.142 0.000 2.119 181 R HA -0.233 4.112 4.340 0.008 0.000 0.246 181 R C 1.632 177.768 176.300 -0.273 0.000 1.146 181 R CA 2.030 57.835 56.100 -0.493 0.000 0.962 181 R CB -0.643 29.063 30.300 -0.990 0.000 0.863 181 R HN 0.123 nan 8.270 nan 0.000 0.442 182 N N 0.070 118.659 118.700 -0.184 0.000 2.467 182 N HA 0.010 4.755 4.740 0.008 0.000 0.184 182 N C -0.404 175.055 175.510 -0.085 0.000 1.106 182 N CA 0.728 53.694 53.050 -0.140 0.000 0.892 182 N CB 0.348 38.754 38.487 -0.135 0.000 0.969 182 N HN 0.193 nan 8.380 nan 0.000 0.454 183 A N 1.787 124.604 122.820 -0.004 0.000 2.457 183 A HA 0.292 4.617 4.320 0.008 0.000 0.298 183 A C -1.339 176.229 177.584 -0.027 0.000 1.288 183 A CA -1.046 50.997 52.037 0.010 0.000 0.956 183 A CB 0.429 19.490 19.000 0.102 0.000 1.135 183 A HN -0.009 nan 8.150 nan 0.000 0.535 184 P HA -0.081 nan 4.420 nan 0.000 0.225 184 P C 1.027 178.278 177.300 -0.082 0.000 1.148 184 P CA 1.048 64.094 63.100 -0.091 0.000 0.779 184 P CB 0.183 31.792 31.700 -0.152 0.000 0.780 185 R N -2.072 118.350 120.500 -0.129 0.000 2.334 185 R HA 0.156 4.501 4.340 0.008 0.000 0.216 185 R C 0.175 176.475 176.300 0.000 0.000 0.905 185 R CA -0.126 55.910 56.100 -0.106 0.000 1.064 185 R CB -0.279 29.804 30.300 -0.362 0.000 1.046 185 R HN 0.154 nan 8.270 nan 0.000 0.508 186 C N 0.569 119.865 119.300 -0.008 0.000 2.246 186 C HA 0.225 4.690 4.460 0.008 0.000 0.329 186 C C 1.904 176.855 174.990 -0.065 0.000 1.221 186 C CA -0.685 58.353 59.018 0.034 0.000 1.697 186 C CB 0.437 28.272 27.740 0.157 0.000 2.312 186 C HN 0.277 nan 8.230 nan 0.000 0.509 187 V N 6.034 125.861 119.914 -0.145 0.000 3.217 187 V HA 0.145 4.270 4.120 0.008 0.000 0.264 187 V C 1.904 178.023 176.094 0.043 0.000 1.135 187 V CA 2.273 64.394 62.300 -0.299 0.000 1.142 187 V CB -0.221 31.453 31.823 -0.247 0.000 0.754 187 V HN 1.078 nan 8.190 nan 0.000 0.484 188 G N -0.703 108.157 108.800 0.100 0.000 3.181 188 G HA2 -0.012 3.953 3.960 0.008 0.000 0.219 188 G HA3 -0.012 3.953 3.960 0.008 0.000 0.219 188 G C 1.313 176.255 174.900 0.070 0.000 1.182 188 G CA -0.289 44.892 45.100 0.134 0.000 0.791 188 G HN 0.452 nan 8.290 nan 0.000 0.537 189 R N -0.272 120.186 120.500 -0.070 0.000 2.316 189 R HA 0.189 4.534 4.340 0.008 0.000 0.202 189 R C 1.984 177.848 176.300 -0.727 0.000 1.029 189 R CA -0.024 55.739 56.100 -0.562 0.000 1.018 189 R CB -0.136 29.803 30.300 -0.602 0.000 0.888 189 R HN 0.425 nan 8.270 nan 0.000 0.471 190 I N 0.934 121.277 120.570 -0.378 0.000 2.567 190 I HA -0.253 3.922 4.170 0.008 0.000 0.257 190 I C 1.255 177.280 176.117 -0.153 0.000 1.184 190 I CA 1.271 62.501 61.300 -0.117 0.000 1.451 190 I CB 0.196 38.229 38.000 0.055 0.000 1.089 190 I HN 0.191 nan 8.210 nan 0.000 0.441 191 Q N 0.388 120.033 119.800 -0.259 0.000 2.360 191 Q HA -0.090 4.255 4.340 0.008 0.000 0.202 191 Q C 1.569 177.158 176.000 -0.684 0.000 0.915 191 Q CA 0.309 55.955 55.803 -0.261 0.000 0.943 191 Q CB -0.168 28.588 28.738 0.030 0.000 1.064 191 Q HN 0.781 nan 8.270 nan 0.000 0.511 192 W N -0.053 120.599 121.300 -1.079 0.000 2.325 192 W HA -0.111 4.556 4.660 0.011 0.000 0.299 192 W C 1.221 177.470 176.519 -0.449 0.000 1.215 192 W CA 1.203 57.765 57.345 -1.304 0.000 1.244 192 W CB -1.230 27.642 29.460 -0.979 0.000 1.140 192 W HN 0.092 nan 8.180 nan 0.000 0.523 193 G N 1.240 109.279 108.800 -1.267 0.000 2.509 193 G HA2 -0.193 3.772 3.960 0.008 0.000 0.218 193 G HA3 -0.193 3.772 3.960 0.008 0.000 0.218 193 G C 0.928 175.612 174.900 -0.361 0.000 1.124 193 G CA 0.102 44.595 45.100 -1.013 0.000 0.776 193 G HN 0.174 nan 8.290 nan 0.000 0.547 194 K N 0.300 120.590 120.400 -0.184 0.000 2.356 194 K HA 0.436 4.761 4.320 0.008 0.000 0.243 194 K C -1.665 175.061 176.600 0.211 0.000 1.072 194 K CA -0.599 55.700 56.287 0.019 0.000 1.014 194 K CB 0.445 32.979 32.500 0.056 0.000 1.523 194 K HN 0.112 nan 8.250 nan 0.000 0.455 195 L N 3.076 124.400 121.223 0.169 0.000 2.439 195 L HA 0.284 4.629 4.340 0.008 0.000 0.270 195 L C -1.071 175.797 176.870 -0.004 0.000 0.972 195 L CA -0.465 54.481 54.840 0.178 0.000 0.836 195 L CB 1.869 44.112 42.059 0.307 0.000 1.255 195 L HN 0.332 nan 8.230 nan 0.000 0.404 196 Q N 3.305 123.047 119.800 -0.097 0.000 2.307 196 Q HA 0.461 4.806 4.340 0.008 0.000 0.259 196 Q C -1.463 174.216 176.000 -0.535 0.000 0.998 196 Q CA 0.045 55.622 55.803 -0.376 0.000 0.923 196 Q CB 1.035 29.455 28.738 -0.530 0.000 1.196 196 Q HN 0.525 nan 8.270 nan 0.000 0.416 197 V N 6.588 126.204 119.914 -0.497 0.000 2.333 197 V HA 0.355 4.480 4.120 0.008 0.000 0.274 197 V C -0.621 175.167 176.094 -0.510 0.000 1.028 197 V CA -0.529 61.542 62.300 -0.382 0.000 0.851 197 V CB 0.102 31.808 31.823 -0.195 0.000 1.000 197 V HN 0.630 nan 8.190 nan 0.000 0.456 198 F N 2.737 122.560 119.950 -0.213 0.000 2.411 198 F HA 0.348 4.877 4.527 0.004 0.000 0.355 198 F C 0.676 176.309 175.800 -0.278 0.000 1.117 198 F CA -0.700 57.164 58.000 -0.226 0.000 1.139 198 F CB 0.807 39.677 39.000 -0.217 0.000 1.120 198 F HN 0.391 nan 8.300 nan 0.000 0.493 199 D N 3.228 123.589 120.400 -0.065 0.000 2.365 199 D HA 0.381 5.026 4.640 0.008 0.000 0.237 199 D C -0.051 176.076 176.300 -0.288 0.000 1.190 199 D CA 0.107 54.000 54.000 -0.177 0.000 0.867 199 D CB 1.224 41.959 40.800 -0.107 0.000 1.050 199 D HN 0.643 nan 8.370 nan 0.000 0.491 200 A N 4.609 127.086 122.820 -0.572 0.000 2.701 200 A HA 0.162 4.487 4.320 0.008 0.000 0.297 200 A C 1.414 178.660 177.584 -0.563 0.000 1.197 200 A CA -0.408 51.035 52.037 -0.991 0.000 0.963 200 A CB 0.064 17.873 19.000 -1.985 0.000 1.175 200 A HN 0.518 nan 8.150 nan 0.000 0.531 201 R N 0.620 120.942 120.500 -0.295 0.000 2.339 201 R HA -0.047 4.298 4.340 0.008 0.000 0.199 201 R C 0.390 176.637 176.300 -0.087 0.000 1.018 201 R CA 1.051 57.061 56.100 -0.150 0.000 1.036 201 R CB 0.097 30.366 30.300 -0.052 0.000 0.899 201 R HN 0.648 nan 8.270 nan 0.000 0.473 202 D N -0.953 119.412 120.400 -0.058 0.000 2.349 202 D HA -0.045 4.600 4.640 0.008 0.000 0.214 202 D C 0.261 176.620 176.300 0.099 0.000 1.063 202 D CA -0.347 53.673 54.000 0.032 0.000 0.847 202 D CB -0.512 40.329 40.800 0.068 0.000 0.933 202 D HN -0.037 nan 8.370 nan 0.000 0.513 203 C N 1.656 120.998 119.300 0.069 0.000 2.653 203 C HA 0.409 4.873 4.460 0.008 0.000 0.421 203 C C 1.517 176.660 174.990 0.256 0.000 1.334 203 C CA 0.540 59.684 59.018 0.210 0.000 1.885 203 C CB -0.371 27.525 27.740 0.261 0.000 2.645 203 C HN 0.471 nan 8.230 nan 0.000 0.601 204 S N 2.302 118.198 115.700 0.328 0.000 2.960 204 S HA 0.343 4.818 4.470 0.008 0.000 0.256 204 S C -0.171 174.590 174.600 0.269 0.000 1.017 204 S CA 0.236 58.644 58.200 0.346 0.000 1.144 204 S CB -0.308 63.021 63.200 0.215 0.000 1.109 204 S HN 1.343 nan 8.310 nan 0.000 0.638 205 S N -0.493 115.375 115.700 0.279 0.000 2.587 205 S HA 0.802 5.277 4.470 0.008 0.000 0.269 205 S C 0.830 175.526 174.600 0.161 0.000 1.154 205 S CA -0.303 57.999 58.200 0.170 0.000 0.824 205 S CB 0.813 64.091 63.200 0.130 0.000 1.118 205 S HN 0.649 nan 8.310 nan 0.000 0.462 206 A N 0.867 123.755 122.820 0.114 0.000 1.902 206 A HA -0.063 4.262 4.320 0.008 0.000 0.217 206 A C 2.132 179.710 177.584 -0.009 0.000 1.181 206 A CA 2.255 54.353 52.037 0.102 0.000 0.623 206 A CB -1.363 17.770 19.000 0.223 0.000 0.818 206 A HN 0.927 nan 8.150 nan 0.000 0.443 207 Q N 0.246 120.117 119.800 0.118 0.000 2.077 207 Q HA -0.245 4.100 4.340 0.008 0.000 0.206 207 Q C 1.903 177.900 176.000 -0.005 0.000 0.989 207 Q CA 2.572 58.399 55.803 0.040 0.000 0.853 207 Q CB -0.446 28.397 28.738 0.176 0.000 0.907 207 Q HN 0.767 nan 8.270 nan 0.000 0.418 208 E N -1.051 119.194 120.200 0.075 0.000 2.106 208 E HA -0.162 4.193 4.350 0.008 0.000 0.192 208 E C 1.960 178.692 176.600 0.221 0.000 0.984 208 E CA 1.083 57.552 56.400 0.115 0.000 0.806 208 E CB -0.112 29.698 29.700 0.183 0.000 0.750 208 E HN 0.468 nan 8.360 nan 0.000 0.458 209 M N -0.053 119.661 119.600 0.189 0.000 2.082 209 M HA -0.187 4.297 4.480 0.008 0.000 0.258 209 M C 2.179 178.541 176.300 0.104 0.000 1.069 209 M CA 1.478 56.860 55.300 0.136 0.000 1.102 209 M CB -0.443 32.019 32.600 -0.229 0.000 1.336 209 M HN 0.204 nan 8.290 nan 0.000 0.404 210 F N 1.305 121.055 119.950 -0.333 0.000 2.095 210 F HA -0.211 4.323 4.527 0.011 0.000 0.298 210 F C 2.356 178.043 175.800 -0.188 0.000 1.104 210 F CA 2.022 59.757 58.000 -0.442 0.000 1.232 210 F CB -0.908 37.465 39.000 -1.045 0.000 0.987 210 F HN 0.058 nan 8.300 nan 0.000 0.475 211 T N -0.251 114.140 114.554 -0.272 0.000 2.635 211 T HA -0.275 4.080 4.350 0.008 0.000 0.267 211 T C 1.746 176.286 174.700 -0.268 0.000 1.040 211 T CA 2.094 63.993 62.100 -0.334 0.000 1.156 211 T CB -0.838 67.877 68.868 -0.255 0.000 0.863 211 T HN 0.296 nan 8.240 nan 0.000 0.430 212 Y N 0.887 121.130 120.300 -0.095 0.000 2.165 212 Y HA -0.029 4.525 4.550 0.007 0.000 0.286 212 Y C 2.249 178.098 175.900 -0.086 0.000 1.155 212 Y CA 0.569 58.621 58.100 -0.079 0.000 1.164 212 Y CB -0.561 37.929 38.460 0.051 0.000 0.978 212 Y HN 0.206 nan 8.280 nan 0.000 0.513 213 I N -1.756 118.900 120.570 0.142 0.000 2.315 213 I HA -0.336 3.839 4.170 0.008 0.000 0.248 213 I C 2.317 178.386 176.117 -0.081 0.000 1.117 213 I CA 0.875 62.203 61.300 0.046 0.000 1.404 213 I CB -0.465 37.566 38.000 0.051 0.000 1.071 213 I HN 0.260 nan 8.210 nan 0.000 0.419 214 C N 0.721 119.863 119.300 -0.264 0.000 2.432 214 C HA -0.137 4.328 4.460 0.008 0.000 0.277 214 C C 2.643 177.533 174.990 -0.166 0.000 1.249 214 C CA 0.866 59.706 59.018 -0.296 0.000 1.725 214 C CB -1.368 26.046 27.740 -0.542 0.000 2.028 214 C HN 0.547 nan 8.230 nan 0.000 0.477 215 N N -0.039 118.550 118.700 -0.186 0.000 2.120 215 N HA -0.149 4.596 4.740 0.008 0.000 0.188 215 N C 1.421 176.831 175.510 -0.166 0.000 1.024 215 N CA 1.514 54.449 53.050 -0.191 0.000 0.852 215 N CB -0.855 37.462 38.487 -0.284 0.000 1.003 215 N HN 0.752 nan 8.380 nan 0.000 0.424 216 H N 0.499 119.416 119.070 -0.255 0.000 2.290 216 H HA 0.019 4.581 4.556 0.010 0.000 0.298 216 H C 2.135 177.478 175.328 0.024 0.000 1.087 216 H CA 1.697 57.657 56.048 -0.147 0.000 1.291 216 H CB -0.106 29.616 29.762 -0.066 0.000 1.369 216 H HN 0.098 nan 8.280 nan 0.000 0.492 217 I N 0.588 121.297 120.570 0.231 0.000 2.208 217 I HA -0.278 3.897 4.170 0.008 0.000 0.245 217 I C 2.435 178.622 176.117 0.117 0.000 1.097 217 I CA 1.432 62.832 61.300 0.167 0.000 1.363 217 I CB -0.233 37.798 38.000 0.051 0.000 1.051 217 I HN 0.328 nan 8.210 nan 0.000 0.413 218 K N -0.078 120.359 120.400 0.061 0.000 2.009 218 K HA -0.254 4.071 4.320 0.008 0.000 0.210 218 K C 2.241 178.889 176.600 0.079 0.000 1.049 218 K CA 1.981 58.294 56.287 0.044 0.000 0.929 218 K CB -0.501 32.001 32.500 0.004 0.000 0.714 218 K HN 0.253 nan 8.250 nan 0.000 0.440 219 Y N 1.372 121.671 120.300 -0.003 0.000 2.097 219 Y HA -0.289 4.262 4.550 0.003 0.000 0.282 219 Y C 2.273 178.222 175.900 0.081 0.000 1.152 219 Y CA 1.731 59.862 58.100 0.051 0.000 1.136 219 Y CB -0.342 38.183 38.460 0.107 0.000 0.975 219 Y HN 0.081 nan 8.280 nan 0.000 0.498 220 A N -0.778 122.209 122.820 0.278 0.000 1.902 220 A HA -0.183 4.142 4.320 0.008 0.000 0.217 220 A C 2.197 179.853 177.584 0.120 0.000 1.181 220 A CA 2.315 54.483 52.037 0.219 0.000 0.623 220 A CB -1.292 17.871 19.000 0.272 0.000 0.818 220 A HN 0.534 nan 8.150 nan 0.000 0.443 221 T N -0.462 114.154 114.554 0.103 0.000 2.770 221 T HA -0.077 4.278 4.350 0.008 0.000 0.263 221 T C 1.079 175.795 174.700 0.026 0.000 1.039 221 T CA 1.196 63.347 62.100 0.085 0.000 1.142 221 T CB -0.381 68.534 68.868 0.079 0.000 0.868 221 T HN 0.645 nan 8.240 nan 0.000 0.435 222 N N 1.078 119.763 118.700 -0.025 0.000 2.714 222 N HA -0.243 4.502 4.740 0.008 0.000 0.252 222 N C -0.284 175.204 175.510 -0.038 0.000 1.014 222 N CA 0.505 53.511 53.050 -0.072 0.000 0.735 222 N CB -1.429 36.973 38.487 -0.141 0.000 0.924 222 N HN 0.472 nan 8.380 nan 0.000 0.540 223 R N -1.975 118.515 120.500 -0.017 0.000 3.502 223 R HA -0.223 4.122 4.340 0.008 0.000 0.266 223 R C 1.333 177.624 176.300 -0.015 0.000 1.077 223 R CA 1.283 57.375 56.100 -0.014 0.000 0.718 223 R CB -1.832 28.456 30.300 -0.021 0.000 1.120 223 R HN 0.976 nan 8.270 nan 0.000 0.457 224 G N -0.686 108.115 108.800 0.002 0.000 2.259 224 G HA2 -0.310 3.655 3.960 0.008 0.000 0.217 224 G HA3 -0.310 3.655 3.960 0.008 0.000 0.217 224 G C -0.025 174.875 174.900 0.001 0.000 1.001 224 G CA -0.009 45.095 45.100 0.005 0.000 0.627 224 G HN 0.357 nan 8.290 nan 0.000 0.501 225 N N 1.621 120.308 118.700 -0.022 0.000 2.968 225 N HA 0.435 5.180 4.740 0.008 0.000 0.271 225 N C 0.292 175.792 175.510 -0.017 0.000 1.174 225 N CA -0.316 52.707 53.050 -0.046 0.000 1.096 225 N CB -0.291 38.159 38.487 -0.061 0.000 1.403 225 N HN 0.223 nan 8.380 nan 0.000 0.522 226 L N 2.170 123.418 121.223 0.040 0.000 2.485 226 L HA 0.191 4.536 4.340 0.008 0.000 0.275 226 L C 0.833 177.859 176.870 0.260 0.000 1.207 226 L CA 0.720 55.666 54.840 0.176 0.000 0.855 226 L CB 0.245 42.503 42.059 0.332 0.000 1.114 226 L HN 0.303 nan 8.230 nan 0.000 0.485 227 R N 1.393 122.040 120.500 0.245 0.000 2.561 227 R HA 0.438 4.783 4.340 0.008 0.000 0.297 227 R C -0.632 175.839 176.300 0.285 0.000 0.969 227 R CA -0.679 55.585 56.100 0.273 0.000 0.879 227 R CB 1.647 32.000 30.300 0.088 0.000 1.178 227 R HN 0.558 nan 8.270 nan 0.000 0.445 228 S N 1.566 117.417 115.700 0.252 0.000 2.533 228 S HA 0.413 4.888 4.470 0.008 0.000 0.282 228 S C -0.222 174.418 174.600 0.067 0.000 1.304 228 S CA -0.190 58.046 58.200 0.061 0.000 1.063 228 S CB 1.077 64.253 63.200 -0.040 0.000 0.881 228 S HN 0.689 nan 8.310 nan 0.000 0.493 229 A N 2.965 125.790 122.820 0.007 0.000 2.606 229 A HA 0.834 5.159 4.320 0.008 0.000 0.293 229 A C -1.181 176.434 177.584 0.052 0.000 1.082 229 A CA -0.677 51.318 52.037 -0.071 0.000 0.685 229 A CB 1.230 20.132 19.000 -0.163 0.000 1.284 229 A HN 0.804 nan 8.150 nan 0.000 0.408 230 I N 0.498 121.105 120.570 0.063 0.000 2.619 230 I HA 0.635 4.810 4.170 0.008 0.000 0.292 230 I C -1.077 175.177 176.117 0.228 0.000 1.100 230 I CA -0.111 61.349 61.300 0.266 0.000 1.043 230 I CB 2.406 40.504 38.000 0.164 0.000 1.239 230 I HN 0.601 nan 8.210 nan 0.000 0.420 231 T N 6.285 121.011 114.554 0.288 0.000 2.792 231 T HA 0.479 4.834 4.350 0.008 0.000 0.280 231 T C -0.780 173.772 174.700 -0.247 0.000 0.990 231 T CA -0.378 61.733 62.100 0.019 0.000 0.960 231 T CB 1.596 70.464 68.868 0.001 0.000 0.939 231 T HN 0.266 nan 8.240 nan 0.000 0.439 232 V N 4.943 124.613 119.914 -0.407 0.000 2.357 232 V HA 0.483 4.608 4.120 0.008 0.000 0.284 232 V C -0.487 175.293 176.094 -0.524 0.000 1.018 232 V CA -0.810 61.256 62.300 -0.391 0.000 0.841 232 V CB 0.184 31.729 31.823 -0.464 0.000 0.991 232 V HN 0.731 nan 8.190 nan 0.000 0.437 233 F N 5.237 125.091 119.950 -0.160 0.000 2.362 233 F HA 0.525 5.058 4.527 0.010 0.000 0.311 233 F C -1.809 173.878 175.800 -0.187 0.000 1.161 233 F CA -2.425 55.397 58.000 -0.297 0.000 1.085 233 F CB 0.322 39.120 39.000 -0.336 0.000 1.311 233 F HN 0.290 nan 8.300 nan 0.000 0.524 234 P HA -0.005 nan 4.420 nan 0.000 0.266 234 P C -1.059 176.284 177.300 0.071 0.000 1.195 234 P CA -0.201 62.843 63.100 -0.094 0.000 0.768 234 P CB 0.231 31.780 31.700 -0.251 0.000 0.838 235 Q N 3.001 122.789 119.800 -0.020 0.000 2.454 235 Q HA 0.159 4.504 4.340 0.008 0.000 0.247 235 Q C -0.096 175.834 176.000 -0.117 0.000 1.028 235 Q CA -0.452 55.126 55.803 -0.375 0.000 0.910 235 Q CB 0.531 28.786 28.738 -0.804 0.000 1.276 235 Q HN 0.313 nan 8.270 nan 0.000 0.489 236 R N 0.096 120.505 120.500 -0.151 0.000 2.638 236 R HA 0.188 4.533 4.340 0.008 0.000 0.268 236 R C -0.672 175.589 176.300 -0.064 0.000 1.006 236 R CA 0.714 56.779 56.100 -0.060 0.000 1.088 236 R CB 0.297 30.546 30.300 -0.085 0.000 0.950 236 R HN 0.720 nan 8.270 nan 0.000 0.419 237 A N 5.125 127.942 122.820 -0.006 0.000 2.386 237 A HA 0.514 4.839 4.320 0.008 0.000 0.311 237 A C -2.324 175.259 177.584 -0.002 0.000 1.068 237 A CA -1.830 50.206 52.037 -0.000 0.000 0.743 237 A CB 1.261 20.288 19.000 0.045 0.000 1.258 237 A HN 0.441 nan 8.150 nan 0.000 0.429 238 P HA 0.145 nan 4.420 nan 0.000 0.261 238 P C 0.867 178.170 177.300 0.005 0.000 1.183 238 P CA 1.656 64.754 63.100 -0.003 0.000 0.761 238 P CB 0.253 31.953 31.700 0.000 0.000 0.785 239 G N 2.462 111.263 108.800 0.003 0.000 2.395 239 G HA2 -0.259 3.706 3.960 0.008 0.000 0.300 239 G HA3 -0.259 3.706 3.960 0.008 0.000 0.300 239 G C 0.139 175.043 174.900 0.007 0.000 0.998 239 G CA 0.044 45.146 45.100 0.005 0.000 1.046 239 G HN 0.822 nan 8.290 nan 0.000 0.513 240 R N -0.304 120.200 120.500 0.007 0.000 2.584 240 R HA 0.545 4.890 4.340 0.008 0.000 0.276 240 R C 0.636 176.935 176.300 -0.001 0.000 1.046 240 R CA 0.019 56.123 56.100 0.006 0.000 0.906 240 R CB 1.012 31.324 30.300 0.020 0.000 1.215 240 R HN 0.623 nan 8.270 nan 0.000 0.449 241 G N 2.087 110.875 108.800 -0.021 0.000 2.559 241 G HA2 0.039 4.004 3.960 0.008 0.000 0.235 241 G HA3 0.039 4.004 3.960 0.008 0.000 0.235 241 G C -0.437 174.440 174.900 -0.038 0.000 1.266 241 G CA -0.198 44.883 45.100 -0.032 0.000 0.847 241 G HN 0.547 nan 8.290 nan 0.000 0.583 242 D N -0.103 120.293 120.400 -0.007 0.000 2.304 242 D HA 0.279 4.924 4.640 0.008 0.000 0.247 242 D C 0.123 176.425 176.300 0.004 0.000 1.089 242 D CA 0.055 54.084 54.000 0.049 0.000 0.910 242 D CB 0.769 41.610 40.800 0.068 0.000 1.199 242 D HN 0.134 nan 8.370 nan 0.000 0.426 243 F N 1.762 121.739 119.950 0.045 0.000 2.495 243 F HA 0.247 4.780 4.527 0.010 0.000 0.365 243 F C 1.153 176.980 175.800 0.044 0.000 1.090 243 F CA 0.242 58.256 58.000 0.023 0.000 1.235 243 F CB 0.486 39.490 39.000 0.007 0.000 1.119 243 F HN -0.179 nan 8.300 nan 0.000 0.562 244 R N 3.768 124.390 120.500 0.203 0.000 2.584 244 R HA 0.460 4.805 4.340 0.008 0.000 0.276 244 R C -1.214 175.233 176.300 0.245 0.000 1.046 244 R CA -0.874 55.359 56.100 0.222 0.000 0.906 244 R CB 2.015 32.466 30.300 0.252 0.000 1.215 244 R HN 0.612 nan 8.270 nan 0.000 0.449 245 I N 2.316 123.007 120.570 0.201 0.000 2.315 245 I HA 0.161 4.336 4.170 0.008 0.000 0.291 245 I C 0.582 176.905 176.117 0.343 0.000 1.006 245 I CA -0.299 61.122 61.300 0.203 0.000 1.265 245 I CB 1.012 39.068 38.000 0.094 0.000 1.387 245 I HN 0.525 nan 8.210 nan 0.000 0.475 246 W N 3.397 124.732 121.300 0.059 0.000 2.476 246 W HA -0.011 4.653 4.660 0.008 0.000 0.281 246 W C 0.877 177.503 176.519 0.177 0.000 1.230 246 W CA -0.067 57.378 57.345 0.167 0.000 1.287 246 W CB -0.804 28.748 29.460 0.154 0.000 1.108 246 W HN 0.397 nan 8.180 nan 0.000 0.567 247 N N 0.228 119.091 118.700 0.270 0.000 2.454 247 N HA -0.002 4.743 4.740 0.008 0.000 0.254 247 N C 1.278 176.850 175.510 0.102 0.000 1.228 247 N CA 0.913 54.042 53.050 0.132 0.000 0.900 247 N CB 0.691 39.190 38.487 0.020 0.000 1.089 247 N HN -0.086 nan 8.380 nan 0.000 0.449 248 S N 0.900 116.652 115.700 0.087 0.000 2.436 248 S HA -0.034 4.441 4.470 0.008 0.000 0.228 248 S C 0.364 174.958 174.600 -0.010 0.000 1.014 248 S CA 0.594 58.829 58.200 0.057 0.000 0.950 248 S CB 0.067 63.319 63.200 0.086 0.000 0.784 248 S HN 0.648 nan 8.310 nan 0.000 0.504 249 Q N -0.607 119.171 119.800 -0.036 0.000 2.451 249 Q HA 0.529 4.874 4.340 0.008 0.000 0.281 249 Q C 0.292 176.206 176.000 -0.143 0.000 1.099 249 Q CA -0.560 55.182 55.803 -0.101 0.000 0.806 249 Q CB 2.012 30.713 28.738 -0.063 0.000 1.419 249 Q HN 0.117 nan 8.270 nan 0.000 0.427 250 L N 0.137 121.253 121.223 -0.179 0.000 2.093 250 L HA 0.016 4.361 4.340 0.008 0.000 0.208 250 L C 0.368 177.094 176.870 -0.240 0.000 1.085 250 L CA 0.868 55.603 54.840 -0.174 0.000 0.755 250 L CB 0.171 42.126 42.059 -0.174 0.000 0.904 250 L HN 0.284 nan 8.230 nan 0.000 0.435 251 V N 0.530 120.216 119.914 -0.380 0.000 2.378 251 V HA 0.454 4.579 4.120 0.008 0.000 0.288 251 V C -0.165 175.330 176.094 -0.999 0.000 1.016 251 V CA -0.595 61.299 62.300 -0.677 0.000 0.840 251 V CB 1.687 33.034 31.823 -0.795 0.000 0.994 251 V HN 0.209 nan 8.190 nan 0.000 0.431 252 R N 2.331 122.378 120.500 -0.755 0.000 2.764 252 R HA 0.562 4.907 4.340 0.008 0.000 0.270 252 R C -1.834 174.189 176.300 -0.461 0.000 1.014 252 R CA -0.883 54.861 56.100 -0.593 0.000 0.904 252 R CB 2.597 32.772 30.300 -0.210 0.000 1.236 252 R HN 0.563 nan 8.270 nan 0.000 0.466 253 Y N 0.306 120.570 120.300 -0.060 0.000 2.334 253 Y HA 0.450 5.005 4.550 0.009 0.000 0.328 253 Y C 0.765 176.630 175.900 -0.059 0.000 1.130 253 Y CA -0.641 57.455 58.100 -0.006 0.000 1.163 253 Y CB 1.307 39.843 38.460 0.126 0.000 1.207 253 Y HN 0.656 nan 8.280 nan 0.000 0.471 254 A N 1.468 124.333 122.820 0.075 0.000 2.466 254 A HA 0.523 4.848 4.320 0.008 0.000 0.238 254 A C 0.571 177.937 177.584 -0.365 0.000 1.074 254 A CA 0.395 52.311 52.037 -0.203 0.000 0.774 254 A CB -0.336 18.488 19.000 -0.295 0.000 1.015 254 A HN 0.940 nan 8.150 nan 0.000 0.498 255 G N 0.307 108.843 108.800 -0.440 0.000 2.626 255 G HA2 0.556 4.521 3.960 0.008 0.000 0.304 255 G HA3 0.556 4.521 3.960 0.008 0.000 0.304 255 G C -1.287 173.388 174.900 -0.374 0.000 1.385 255 G CA -0.293 44.587 45.100 -0.367 0.000 0.957 255 G HN 0.511 nan 8.290 nan 0.000 0.504 256 Y N 1.114 121.421 120.300 0.011 0.000 2.331 256 Y HA 0.469 5.024 4.550 0.008 0.000 0.338 256 Y C 0.812 176.708 175.900 -0.007 0.000 0.976 256 Y CA -1.152 56.955 58.100 0.012 0.000 1.137 256 Y CB 1.594 40.057 38.460 0.006 0.000 1.172 256 Y HN 0.568 nan 8.280 nan 0.000 0.478 257 R N 3.358 123.936 120.500 0.130 0.000 2.370 257 R HA 0.113 4.458 4.340 0.008 0.000 0.309 257 R C -0.373 175.966 176.300 0.066 0.000 1.059 257 R CA -0.222 55.921 56.100 0.071 0.000 0.981 257 R CB 0.358 30.687 30.300 0.048 0.000 0.972 257 R HN 0.600 nan 8.270 nan 0.000 0.437 258 Q N 2.561 122.389 119.800 0.046 0.000 2.256 258 Q HA -0.023 4.322 4.340 0.008 0.000 0.232 258 Q C 0.504 176.513 176.000 0.016 0.000 0.965 258 Q CA -0.203 55.618 55.803 0.029 0.000 0.908 258 Q CB 1.171 29.922 28.738 0.022 0.000 1.209 258 Q HN 0.722 nan 8.270 nan 0.000 0.489 259 Q N 1.013 120.817 119.800 0.006 0.000 2.135 259 Q HA -0.176 4.169 4.340 0.008 0.000 0.204 259 Q C 0.639 176.641 176.000 0.003 0.000 0.981 259 Q CA 1.819 57.623 55.803 0.001 0.000 0.856 259 Q CB 0.259 28.994 28.738 -0.006 0.000 0.902 259 Q HN 0.660 nan 8.270 nan 0.000 0.425 260 D N -2.228 118.174 120.400 0.004 0.000 2.324 260 D HA 0.024 4.669 4.640 0.008 0.000 0.235 260 D C 1.025 177.329 176.300 0.007 0.000 1.095 260 D CA 0.829 54.831 54.000 0.004 0.000 0.871 260 D CB 0.369 41.171 40.800 0.002 0.000 0.906 260 D HN 0.481 nan 8.370 nan 0.000 0.522 261 G N 0.885 109.691 108.800 0.010 0.000 2.253 261 G HA2 -0.348 3.617 3.960 0.008 0.000 0.251 261 G HA3 -0.348 3.617 3.960 0.008 0.000 0.251 261 G C 0.587 175.495 174.900 0.013 0.000 0.998 261 G CA 0.517 45.624 45.100 0.012 0.000 0.621 261 G HN 0.748 nan 8.290 nan 0.000 0.524 262 S N -0.767 114.940 115.700 0.012 0.000 2.641 262 S HA 0.714 5.189 4.470 0.008 0.000 0.261 262 S C 0.113 174.720 174.600 0.011 0.000 1.257 262 S CA 0.126 58.333 58.200 0.011 0.000 0.983 262 S CB 2.093 65.299 63.200 0.009 0.000 0.990 262 S HN 1.151 nan 8.310 nan 0.000 0.572 263 V N 0.881 120.795 119.914 -0.000 0.000 2.656 263 V HA 0.551 4.676 4.120 0.008 0.000 0.307 263 V C -0.047 176.038 176.094 -0.014 0.000 1.051 263 V CA -0.830 61.465 62.300 -0.007 0.000 0.893 263 V CB 1.642 33.439 31.823 -0.044 0.000 0.999 263 V HN 0.927 nan 8.190 nan 0.000 0.426 264 R N 2.526 123.048 120.500 0.036 0.000 2.294 264 R HA 0.672 5.017 4.340 0.008 0.000 0.319 264 R C 0.556 176.858 176.300 0.004 0.000 0.984 264 R CA 0.921 57.051 56.100 0.051 0.000 0.861 264 R CB 1.107 31.488 30.300 0.136 0.000 1.104 264 R HN 1.203 nan 8.270 nan 0.000 0.451 265 G N 2.911 111.639 108.800 -0.121 0.000 2.466 265 G HA2 -0.254 3.711 3.960 0.008 0.000 0.218 265 G HA3 -0.254 3.711 3.960 0.008 0.000 0.218 265 G C -1.272 173.294 174.900 -0.557 0.000 1.237 265 G CA -0.094 44.862 45.100 -0.239 0.000 0.954 265 G HN 0.635 nan 8.290 nan 0.000 0.580 266 D N 1.573 121.715 120.400 -0.430 0.000 2.396 266 D HA 0.561 5.206 4.640 0.008 0.000 0.225 266 D C -1.035 175.119 176.300 -0.244 0.000 1.121 266 D CA -2.003 51.710 54.000 -0.479 0.000 0.853 266 D CB 1.414 42.224 40.800 0.016 0.000 1.043 266 D HN -0.002 nan 8.370 nan 0.000 0.500 267 P HA -0.063 nan 4.420 nan 0.000 0.223 267 P C 0.876 178.158 177.300 -0.030 0.000 1.144 267 P CA 0.712 63.750 63.100 -0.104 0.000 0.783 267 P CB 0.247 31.902 31.700 -0.076 0.000 0.771 268 A N -0.474 122.341 122.820 -0.007 0.000 2.121 268 A HA -0.117 4.208 4.320 0.008 0.000 0.218 268 A C 1.550 179.165 177.584 0.052 0.000 1.154 268 A CA 1.319 53.389 52.037 0.055 0.000 0.679 268 A CB -0.777 18.279 19.000 0.094 0.000 0.795 268 A HN 0.156 nan 8.150 nan 0.000 0.458 269 N N -0.713 117.993 118.700 0.011 0.000 2.282 269 N HA 0.155 4.900 4.740 0.008 0.000 0.240 269 N C 0.987 176.472 175.510 -0.041 0.000 1.182 269 N CA 0.136 53.184 53.050 -0.004 0.000 0.874 269 N CB 0.808 39.288 38.487 -0.011 0.000 1.126 269 N HN 0.173 nan 8.380 nan 0.000 0.516 270 V N 0.975 120.872 119.914 -0.030 0.000 2.295 270 V HA -0.197 3.928 4.120 0.008 0.000 0.246 270 V C 2.330 178.405 176.094 -0.031 0.000 1.049 270 V CA 1.642 63.923 62.300 -0.032 0.000 1.024 270 V CB -0.176 31.642 31.823 -0.009 0.000 0.648 270 V HN 0.339 nan 8.190 nan 0.000 0.447 271 E N -0.541 119.644 120.200 -0.025 0.000 2.038 271 E HA -0.257 4.098 4.350 0.008 0.000 0.195 271 E C 2.154 178.629 176.600 -0.209 0.000 1.000 271 E CA 1.753 58.101 56.400 -0.087 0.000 0.803 271 E CB -0.185 29.505 29.700 -0.017 0.000 0.750 271 E HN 0.496 nan 8.360 nan 0.000 0.448 272 I N 0.810 121.272 120.570 -0.181 0.000 2.394 272 I HA -0.199 3.976 4.170 0.008 0.000 0.251 272 I C 2.090 178.130 176.117 -0.128 0.000 1.136 272 I CA 1.456 62.627 61.300 -0.214 0.000 1.425 272 I CB -0.300 37.641 38.000 -0.098 0.000 1.079 272 I HN 0.011 nan 8.210 nan 0.000 0.425 273 T N 0.075 114.582 114.554 -0.077 0.000 2.708 273 T HA -0.190 4.165 4.350 0.008 0.000 0.266 273 T C 1.775 176.530 174.700 0.092 0.000 1.037 273 T CA 1.807 63.910 62.100 0.006 0.000 1.146 273 T CB -0.275 68.574 68.868 -0.032 0.000 0.865 273 T HN 0.415 nan 8.240 nan 0.000 0.435 274 E N 0.464 120.684 120.200 0.033 0.000 2.204 274 E HA -0.010 4.345 4.350 0.008 0.000 0.195 274 E C 2.089 178.702 176.600 0.023 0.000 0.990 274 E CA 0.599 57.024 56.400 0.042 0.000 0.821 274 E CB -0.208 29.496 29.700 0.007 0.000 0.750 274 E HN 0.413 nan 8.360 nan 0.000 0.477 275 L N -0.194 121.008 121.223 -0.037 0.000 2.109 275 L HA -0.173 4.172 4.340 0.008 0.000 0.207 275 L C 2.359 179.316 176.870 0.146 0.000 1.086 275 L CA 0.529 55.382 54.840 0.021 0.000 0.760 275 L CB -0.198 41.799 42.059 -0.104 0.000 0.910 275 L HN 0.312 nan 8.230 nan 0.000 0.437 276 C N -0.069 119.276 119.300 0.074 0.000 2.440 276 C HA -0.116 4.349 4.460 0.008 0.000 0.278 276 C C 2.691 177.842 174.990 0.268 0.000 1.295 276 C CA 0.411 59.487 59.018 0.097 0.000 1.738 276 C CB -0.630 27.065 27.740 -0.075 0.000 1.987 276 C HN 0.429 nan 8.230 nan 0.000 0.492 277 I N 0.452 121.191 120.570 0.282 0.000 2.252 277 I HA -0.246 3.929 4.170 0.008 0.000 0.245 277 I C 2.672 178.842 176.117 0.089 0.000 1.102 277 I CA 1.464 62.891 61.300 0.211 0.000 1.385 277 I CB -0.627 37.469 38.000 0.160 0.000 1.064 277 I HN 0.414 nan 8.210 nan 0.000 0.414 278 Q N 0.003 119.826 119.800 0.038 0.000 2.135 278 Q HA -0.233 4.112 4.340 0.008 0.000 0.204 278 Q C 1.250 177.134 176.000 -0.193 0.000 0.981 278 Q CA 1.544 57.290 55.803 -0.094 0.000 0.856 278 Q CB -0.145 28.497 28.738 -0.161 0.000 0.902 278 Q HN 0.625 nan 8.270 nan 0.000 0.425 279 H N -1.743 117.307 119.070 -0.032 0.000 2.567 279 H HA 0.237 4.798 4.556 0.009 0.000 0.294 279 H C 0.669 175.967 175.328 -0.050 0.000 1.050 279 H CA 0.509 56.512 56.048 -0.075 0.000 1.168 279 H CB 0.533 30.204 29.762 -0.151 0.000 1.422 279 H HN 0.415 nan 8.280 nan 0.000 0.562 280 G N -0.304 108.537 108.800 0.067 0.000 2.159 280 G HA2 -0.262 3.703 3.960 0.008 0.000 0.227 280 G HA3 -0.262 3.703 3.960 0.008 0.000 0.227 280 G C -0.112 174.856 174.900 0.113 0.000 0.986 280 G CA -0.212 44.916 45.100 0.046 0.000 0.651 280 G HN 0.388 nan 8.290 nan 0.000 0.523 281 W N 2.684 123.960 121.300 -0.040 0.000 2.253 281 W HA 0.603 5.269 4.660 0.009 0.000 0.322 281 W C 0.422 176.932 176.519 -0.016 0.000 1.342 281 W CA 0.314 57.640 57.345 -0.032 0.000 1.218 281 W CB 0.630 30.081 29.460 -0.017 0.000 1.205 281 W HN 0.082 nan 8.180 nan 0.000 0.551 282 T N 9.793 124.073 114.554 -0.456 0.000 2.723 282 T HA 0.193 4.548 4.350 0.008 0.000 0.297 282 T C -2.058 171.926 174.700 -1.194 0.000 0.925 282 T CA -0.908 60.845 62.100 -0.578 0.000 1.030 282 T CB 0.405 69.070 68.868 -0.338 0.000 0.905 282 T HN 0.232 nan 8.240 nan 0.000 0.502 283 P HA 0.328 nan 4.420 nan 0.000 0.276 283 P C 0.527 177.379 177.300 -0.746 0.000 1.244 283 P CA -0.345 61.975 63.100 -1.299 0.000 0.801 283 P CB 0.826 32.218 31.700 -0.515 0.000 1.006 284 G N 0.804 109.329 108.800 -0.458 0.000 2.509 284 G HA2 0.165 4.130 3.960 0.008 0.000 0.269 284 G HA3 0.165 4.130 3.960 0.008 0.000 0.269 284 G C 0.056 174.632 174.900 -0.541 0.000 1.416 284 G CA -0.229 44.723 45.100 -0.248 0.000 1.052 284 G HN 0.588 nan 8.290 nan 0.000 0.542 285 N N -1.163 117.336 118.700 -0.336 0.000 2.471 285 N HA 0.237 4.982 4.740 0.008 0.000 0.270 285 N C 0.216 175.685 175.510 -0.068 0.000 1.490 285 N CA 0.137 52.930 53.050 -0.428 0.000 0.850 285 N CB 0.518 38.805 38.487 -0.333 0.000 1.411 285 N HN 0.661 nan 8.380 nan 0.000 0.488 286 G N -0.473 108.402 108.800 0.125 0.000 2.552 286 G HA2 0.351 4.316 3.960 0.008 0.000 0.318 286 G HA3 0.351 4.316 3.960 0.008 0.000 0.318 286 G C 0.602 175.592 174.900 0.149 0.000 1.240 286 G CA -0.468 44.716 45.100 0.141 0.000 1.002 286 G HN 0.230 nan 8.290 nan 0.000 0.493 287 R N -1.207 119.277 120.500 -0.027 0.000 2.240 287 R HA 0.121 4.466 4.340 0.008 0.000 0.203 287 R C -0.170 175.694 176.300 -0.727 0.000 1.011 287 R CA 0.750 56.636 56.100 -0.358 0.000 1.007 287 R CB 0.106 30.056 30.300 -0.583 0.000 0.911 287 R HN 0.377 nan 8.270 nan 0.000 0.468 288 F N 0.752 120.650 119.950 -0.085 0.000 2.623 288 F HA 0.260 4.792 4.527 0.008 0.000 0.361 288 F C -0.772 174.954 175.800 -0.124 0.000 1.469 288 F CA -1.199 56.472 58.000 -0.549 0.000 1.126 288 F CB 0.581 39.111 39.000 -0.783 0.000 1.221 288 F HN -0.277 nan 8.300 nan 0.000 0.536 289 D N 1.477 122.041 120.400 0.273 0.000 2.295 289 D HA 0.216 4.861 4.640 0.008 0.000 0.248 289 D C 0.194 176.763 176.300 0.448 0.000 1.154 289 D CA 0.027 54.264 54.000 0.394 0.000 0.857 289 D CB 2.377 43.468 40.800 0.484 0.000 1.117 289 D HN -0.072 nan 8.370 nan 0.000 0.468 290 V N 3.740 123.875 119.914 0.368 0.000 2.529 290 V HA -0.006 4.119 4.120 0.008 0.000 0.292 290 V C 1.005 177.099 176.094 0.001 0.000 1.028 290 V CA -0.261 62.130 62.300 0.152 0.000 1.074 290 V CB 0.234 32.104 31.823 0.077 0.000 0.958 290 V HN 0.352 nan 8.190 nan 0.000 0.481 291 L N 8.393 129.512 121.223 -0.173 0.000 2.467 291 L HA 0.286 4.631 4.340 0.008 0.000 0.270 291 L C -1.675 174.925 176.870 -0.450 0.000 1.205 291 L CA -1.237 53.347 54.840 -0.426 0.000 0.828 291 L CB 0.597 42.444 42.059 -0.353 0.000 1.101 291 L HN 0.489 nan 8.230 nan 0.000 0.479 292 P HA 0.173 nan 4.420 nan 0.000 0.276 292 P C -1.090 176.023 177.300 -0.312 0.000 1.252 292 P CA -0.662 62.145 63.100 -0.487 0.000 0.802 292 P CB 0.919 32.192 31.700 -0.713 0.000 1.035 293 L N 1.504 122.632 121.223 -0.160 0.000 2.305 293 L HA 0.274 4.619 4.340 0.008 0.000 0.281 293 L C 0.164 176.977 176.870 -0.096 0.000 1.085 293 L CA -0.405 54.395 54.840 -0.067 0.000 0.813 293 L CB -0.057 42.041 42.059 0.065 0.000 1.157 293 L HN 0.262 nan 8.230 nan 0.000 0.436 294 L N 5.405 126.560 121.223 -0.113 0.000 2.276 294 L HA 0.504 4.849 4.340 0.008 0.000 0.286 294 L C -0.598 176.146 176.870 -0.210 0.000 1.024 294 L CA 0.028 54.713 54.840 -0.258 0.000 0.826 294 L CB 0.784 42.638 42.059 -0.342 0.000 1.211 294 L HN 0.380 nan 8.230 nan 0.000 0.422 295 L N 4.184 125.306 121.223 -0.169 0.000 2.341 295 L HA 0.578 4.923 4.340 0.008 0.000 0.278 295 L C -0.405 176.383 176.870 -0.136 0.000 1.005 295 L CA -0.561 54.239 54.840 -0.066 0.000 0.818 295 L CB 2.065 44.154 42.059 0.050 0.000 1.259 295 L HN 0.541 nan 8.230 nan 0.000 0.418 296 Q N 2.312 122.068 119.800 -0.074 0.000 2.325 296 Q HA 0.703 5.048 4.340 0.008 0.000 0.270 296 Q C -1.148 174.793 176.000 -0.097 0.000 1.020 296 Q CA -0.513 55.249 55.803 -0.068 0.000 0.785 296 Q CB 2.277 31.078 28.738 0.105 0.000 1.259 296 Q HN 0.782 nan 8.270 nan 0.000 0.452 297 A N 4.790 127.501 122.820 -0.181 0.000 2.279 297 A HA 0.687 5.012 4.320 0.008 0.000 0.303 297 A C -2.435 174.891 177.584 -0.430 0.000 1.108 297 A CA -1.729 50.035 52.037 -0.455 0.000 0.830 297 A CB 0.248 19.082 19.000 -0.277 0.000 1.106 297 A HN 0.620 nan 8.150 nan 0.000 0.493 298 P HA -0.007 nan 4.420 nan 0.000 0.257 298 P C -0.533 176.667 177.300 -0.168 0.000 1.162 298 P CA 1.066 63.961 63.100 -0.342 0.000 0.762 298 P CB 0.069 31.573 31.700 -0.327 0.000 0.753 299 D N 0.169 120.517 120.400 -0.088 0.000 3.076 299 D HA -0.178 4.467 4.640 0.008 0.000 0.218 299 D C -0.176 176.108 176.300 -0.027 0.000 1.156 299 D CA 1.220 55.198 54.000 -0.036 0.000 0.921 299 D CB -0.771 40.011 40.800 -0.031 0.000 1.113 299 D HN 0.557 nan 8.370 nan 0.000 0.418 300 E N -0.410 119.766 120.200 -0.041 0.000 2.277 300 E HA 0.651 5.006 4.350 0.008 0.000 0.266 300 E C -0.040 176.547 176.600 -0.022 0.000 0.901 300 E CA -0.739 55.642 56.400 -0.032 0.000 0.782 300 E CB 1.601 31.270 29.700 -0.051 0.000 1.228 300 E HN 0.172 nan 8.360 nan 0.000 0.424 301 A N 2.954 125.762 122.820 -0.020 0.000 2.520 301 A HA 0.192 4.516 4.320 0.008 0.000 0.235 301 A C -2.038 175.444 177.584 -0.170 0.000 1.065 301 A CA -0.766 51.247 52.037 -0.040 0.000 0.764 301 A CB -0.536 18.460 19.000 -0.007 0.000 1.002 301 A HN 0.319 nan 8.150 nan 0.000 0.502 302 P HA 0.221 nan 4.420 nan 0.000 0.272 302 P C -0.604 176.403 177.300 -0.488 0.000 1.223 302 P CA 0.073 62.798 63.100 -0.626 0.000 0.784 302 P CB 0.721 31.546 31.700 -1.458 0.000 0.923 303 E N 0.589 120.576 120.200 -0.354 0.000 2.207 303 E HA 0.431 4.786 4.350 0.008 0.000 0.270 303 E C -0.821 175.478 176.600 -0.501 0.000 0.927 303 E CA -1.089 55.089 56.400 -0.370 0.000 0.799 303 E CB 1.597 31.141 29.700 -0.260 0.000 1.172 303 E HN 0.278 nan 8.360 nan 0.000 0.404 304 L N 3.087 123.915 121.223 -0.658 0.000 2.292 304 L HA 0.436 4.781 4.340 0.008 0.000 0.284 304 L C -1.602 174.705 176.870 -0.939 0.000 1.065 304 L CA 0.154 54.647 54.840 -0.577 0.000 0.806 304 L CB 0.149 41.996 42.059 -0.352 0.000 1.175 304 L HN 0.403 nan 8.230 nan 0.000 0.431 305 F N 4.387 124.097 119.950 -0.400 0.000 2.562 305 F HA 0.416 4.949 4.527 0.010 0.000 0.319 305 F C -0.296 175.241 175.800 -0.439 0.000 1.154 305 F CA -0.907 56.713 58.000 -0.633 0.000 0.931 305 F CB 1.751 40.022 39.000 -1.214 0.000 1.198 305 F HN 0.031 nan 8.300 nan 0.000 0.444 306 V N 4.886 124.703 119.914 -0.162 0.000 2.488 306 V HA 0.159 4.284 4.120 0.008 0.000 0.277 306 V C 0.346 176.523 176.094 0.138 0.000 1.046 306 V CA -0.582 61.707 62.300 -0.018 0.000 0.986 306 V CB 0.925 32.785 31.823 0.062 0.000 0.989 306 V HN 0.530 nan 8.190 nan 0.000 0.475 307 L N 8.089 129.415 121.223 0.173 0.000 2.462 307 L HA 0.218 4.563 4.340 0.008 0.000 0.272 307 L C -2.004 174.974 176.870 0.179 0.000 1.166 307 L CA -1.351 53.635 54.840 0.243 0.000 0.880 307 L CB 0.194 42.328 42.059 0.124 0.000 1.142 307 L HN 0.459 nan 8.230 nan 0.000 0.473 308 P HA 0.072 nan 4.420 nan 0.000 0.267 308 P C -2.061 175.294 177.300 0.092 0.000 1.205 308 P CA -1.055 62.123 63.100 0.130 0.000 0.765 308 P CB 0.293 32.060 31.700 0.112 0.000 0.828 309 P HA -0.195 nan 4.420 nan 0.000 0.219 309 P C 1.293 178.628 177.300 0.058 0.000 1.146 309 P CA 1.235 64.381 63.100 0.077 0.000 0.808 309 P CB -0.162 31.586 31.700 0.081 0.000 0.779 310 E N -0.430 119.799 120.200 0.050 0.000 2.338 310 E HA -0.125 4.229 4.350 0.008 0.000 0.197 310 E C 1.406 178.024 176.600 0.029 0.000 1.007 310 E CA 0.977 57.398 56.400 0.035 0.000 0.849 310 E CB -0.918 28.799 29.700 0.029 0.000 0.774 310 E HN 0.234 nan 8.360 nan 0.000 0.506 311 L N 0.902 122.144 121.223 0.031 0.000 2.446 311 L HA 0.057 4.402 4.340 0.008 0.000 0.219 311 L C 0.746 177.634 176.870 0.030 0.000 1.116 311 L CA 0.504 55.358 54.840 0.022 0.000 0.844 311 L CB 0.406 42.470 42.059 0.008 0.000 0.970 311 L HN -0.108 nan 8.230 nan 0.000 0.457 312 V N 1.529 121.465 119.914 0.037 0.000 2.304 312 V HA 0.179 4.304 4.120 0.008 0.000 0.262 312 V C 0.004 176.133 176.094 0.057 0.000 1.061 312 V CA -0.797 61.527 62.300 0.039 0.000 0.872 312 V CB 0.904 32.743 31.823 0.026 0.000 1.077 312 V HN -0.016 nan 8.190 nan 0.000 0.480 313 L N 5.690 126.952 121.223 0.064 0.000 2.410 313 L HA 0.353 4.698 4.340 0.008 0.000 0.273 313 L C 0.277 177.190 176.870 0.072 0.000 1.144 313 L CA 0.888 55.760 54.840 0.052 0.000 0.863 313 L CB 0.238 42.322 42.059 0.043 0.000 1.140 313 L HN 0.653 nan 8.230 nan 0.000 0.463 314 E N 3.169 123.391 120.200 0.036 0.000 2.299 314 E HA 0.594 4.949 4.350 0.008 0.000 0.265 314 E C -1.423 175.127 176.600 -0.085 0.000 0.911 314 E CA -1.016 55.403 56.400 0.032 0.000 0.789 314 E CB 2.413 32.169 29.700 0.094 0.000 1.246 314 E HN 0.334 nan 8.360 nan 0.000 0.427 315 V N 2.876 122.703 119.914 -0.145 0.000 2.376 315 V HA 0.296 4.421 4.120 0.008 0.000 0.287 315 V C -2.425 173.607 176.094 -0.104 0.000 1.015 315 V CA -2.062 60.089 62.300 -0.248 0.000 0.834 315 V CB 1.169 32.578 31.823 -0.691 0.000 1.001 315 V HN 0.527 nan 8.190 nan 0.000 0.428 316 P HA 0.251 nan 4.420 nan 0.000 0.271 316 P C -0.571 176.739 177.300 0.016 0.000 1.220 316 P CA -0.043 63.032 63.100 -0.040 0.000 0.768 316 P CB 0.547 32.231 31.700 -0.026 0.000 0.848 317 L N 3.675 124.939 121.223 0.068 0.000 2.276 317 L HA 0.417 4.762 4.340 0.008 0.000 0.286 317 L C 1.106 178.140 176.870 0.275 0.000 1.061 317 L CA -0.141 54.810 54.840 0.185 0.000 0.807 317 L CB 0.355 42.585 42.059 0.284 0.000 1.177 317 L HN 0.493 nan 8.230 nan 0.000 0.429 318 E N 2.147 122.471 120.200 0.207 0.000 2.410 318 E HA 0.446 4.801 4.350 0.008 0.000 0.269 318 E C -1.297 175.311 176.600 0.015 0.000 0.937 318 E CA -0.943 55.585 56.400 0.214 0.000 0.793 318 E CB 2.231 32.022 29.700 0.153 0.000 1.314 318 E HN 0.476 nan 8.360 nan 0.000 0.447 319 H N 0.821 119.766 119.070 -0.209 0.000 2.492 319 H HA 0.253 4.814 4.556 0.009 0.000 0.345 319 H C -1.837 173.233 175.328 -0.430 0.000 1.136 319 H CA -2.347 53.429 56.048 -0.454 0.000 1.202 319 H CB 2.070 31.444 29.762 -0.647 0.000 1.524 319 H HN 0.417 nan 8.280 nan 0.000 0.506 320 P HA -0.126 nan 4.420 nan 0.000 0.216 320 P C 0.955 178.077 177.300 -0.297 0.000 1.150 320 P CA 1.903 64.503 63.100 -0.833 0.000 0.837 320 P CB 0.374 31.537 31.700 -0.894 0.000 0.786 321 T N -4.679 109.862 114.554 -0.022 0.000 2.964 321 T HA 0.214 4.569 4.350 0.008 0.000 0.250 321 T C 0.839 175.507 174.700 -0.053 0.000 0.982 321 T CA -0.222 61.876 62.100 -0.002 0.000 0.959 321 T CB -0.568 68.309 68.868 0.015 0.000 1.141 321 T HN -0.072 nan 8.240 nan 0.000 0.494 322 L N 2.659 123.802 121.223 -0.134 0.000 2.334 322 L HA 0.389 4.734 4.340 0.008 0.000 0.286 322 L C 1.219 177.723 176.870 -0.609 0.000 1.108 322 L CA -0.280 54.191 54.840 -0.615 0.000 0.875 322 L CB 0.593 41.910 42.059 -1.237 0.000 1.246 322 L HN 0.218 nan 8.230 nan 0.000 0.439 323 E N 3.337 123.320 120.200 -0.361 0.000 2.204 323 E HA -0.179 4.176 4.350 0.008 0.000 0.194 323 E C 1.492 178.040 176.600 -0.086 0.000 0.989 323 E CA 1.268 57.579 56.400 -0.148 0.000 0.824 323 E CB 0.075 29.764 29.700 -0.017 0.000 0.756 323 E HN 0.791 nan 8.360 nan 0.000 0.477 324 W N -0.330 121.020 121.300 0.083 0.000 2.699 324 W HA -0.011 4.654 4.660 0.009 0.000 0.249 324 W C 1.366 177.937 176.519 0.087 0.000 1.280 324 W CA -0.223 57.160 57.345 0.063 0.000 1.345 324 W CB -0.781 28.695 29.460 0.027 0.000 1.128 324 W HN -0.031 nan 8.180 nan 0.000 0.642 325 F N 2.961 122.737 119.950 -0.290 0.000 2.134 325 F HA -0.093 4.439 4.527 0.008 0.000 0.299 325 F C 2.694 178.524 175.800 0.051 0.000 1.097 325 F CA 2.779 60.705 58.000 -0.123 0.000 1.264 325 F CB -0.615 38.178 39.000 -0.344 0.000 1.001 325 F HN -0.087 nan 8.300 nan 0.000 0.479 326 A N 0.150 123.110 122.820 0.233 0.000 1.940 326 A HA -0.141 4.184 4.320 0.008 0.000 0.219 326 A C 2.307 179.950 177.584 0.099 0.000 1.176 326 A CA 1.681 53.817 52.037 0.165 0.000 0.631 326 A CB -1.490 17.582 19.000 0.120 0.000 0.814 326 A HN 0.443 nan 8.150 nan 0.000 0.446 327 A N -1.113 121.775 122.820 0.113 0.000 2.172 327 A HA 0.125 4.450 4.320 0.008 0.000 0.216 327 A C 1.714 179.334 177.584 0.059 0.000 1.154 327 A CA 1.116 53.209 52.037 0.094 0.000 0.701 327 A CB -0.352 18.724 19.000 0.127 0.000 0.789 327 A HN 0.365 nan 8.150 nan 0.000 0.465 328 L N -0.930 120.303 121.223 0.017 0.000 2.376 328 L HA 0.082 4.427 4.340 0.008 0.000 0.219 328 L C 1.908 178.780 176.870 0.005 0.000 1.133 328 L CA 1.231 56.049 54.840 -0.036 0.000 0.816 328 L CB -1.451 40.479 42.059 -0.215 0.000 0.933 328 L HN 0.658 nan 8.230 nan 0.000 0.449 329 G N -0.356 108.451 108.800 0.011 0.000 2.198 329 G HA2 -0.294 3.671 3.960 0.008 0.000 0.260 329 G HA3 -0.294 3.671 3.960 0.008 0.000 0.260 329 G C 0.421 175.296 174.900 -0.042 0.000 1.025 329 G CA 0.359 45.471 45.100 0.021 0.000 0.769 329 G HN 0.333 nan 8.290 nan 0.000 0.507 330 L N -0.118 121.052 121.223 -0.090 0.000 2.417 330 L HA 0.694 5.039 4.340 0.008 0.000 0.268 330 L C 1.168 177.803 176.870 -0.391 0.000 1.158 330 L CA -0.382 54.310 54.840 -0.246 0.000 0.819 330 L CB 0.728 42.755 42.059 -0.052 0.000 1.112 330 L HN 0.566 nan 8.230 nan 0.000 0.458 331 R N 1.702 121.744 120.500 -0.763 0.000 2.716 331 R HA 0.502 4.847 4.340 0.008 0.000 0.271 331 R C -2.046 174.193 176.300 -0.103 0.000 1.028 331 R CA -0.991 54.872 56.100 -0.395 0.000 0.883 331 R CB 1.889 31.939 30.300 -0.416 0.000 1.250 331 R HN 0.651 nan 8.270 nan 0.000 0.465 332 W N 1.536 122.797 121.300 -0.065 0.000 3.075 332 W HA 0.393 5.057 4.660 0.008 0.000 0.334 332 W C -1.218 175.401 176.519 0.166 0.000 1.243 332 W CA -1.019 56.394 57.345 0.114 0.000 1.170 332 W CB 2.145 31.589 29.460 -0.027 0.000 1.452 332 W HN 0.685 nan 8.180 nan 0.000 0.572 333 Y N 0.610 120.896 120.300 -0.024 0.000 2.307 333 Y HA 0.604 5.159 4.550 0.008 0.000 0.324 333 Y C 0.717 176.862 175.900 0.409 0.000 1.238 333 Y CA -0.128 58.009 58.100 0.061 0.000 1.280 333 Y CB 0.448 38.797 38.460 -0.186 0.000 1.248 333 Y HN 0.346 nan 8.280 nan 0.000 0.508 334 A N 2.074 125.158 122.820 0.440 0.000 1.970 334 A HA 0.074 4.399 4.320 0.008 0.000 0.216 334 A C 0.438 178.386 177.584 0.606 0.000 1.170 334 A CA 0.456 52.794 52.037 0.501 0.000 0.645 334 A CB -0.280 18.856 19.000 0.227 0.000 0.816 334 A HN 0.673 nan 8.150 nan 0.000 0.447 335 L N 1.870 123.409 121.223 0.527 0.000 2.277 335 L HA 0.430 4.775 4.340 0.008 0.000 0.284 335 L C -2.620 174.413 176.870 0.271 0.000 1.028 335 L CA -2.311 52.727 54.840 0.329 0.000 0.835 335 L CB 1.608 43.794 42.059 0.212 0.000 1.215 335 L HN -0.051 nan 8.230 nan 0.000 0.425 336 P HA 0.330 nan 4.420 nan 0.000 0.286 336 P C -1.360 175.852 177.300 -0.147 0.000 1.321 336 P CA -0.265 62.706 63.100 -0.213 0.000 0.790 336 P CB 1.275 32.476 31.700 -0.831 0.000 0.897 337 A N 4.410 127.151 122.820 -0.131 0.000 2.605 337 A HA 0.415 4.740 4.320 0.008 0.000 0.293 337 A C -0.341 177.024 177.584 -0.366 0.000 1.216 337 A CA -0.648 51.241 52.037 -0.247 0.000 0.742 337 A CB 0.756 19.645 19.000 -0.185 0.000 1.170 337 A HN 0.287 nan 8.150 nan 0.000 0.443 338 V N 2.816 122.338 119.914 -0.653 0.000 2.521 338 V HA 0.273 4.398 4.120 0.008 0.000 0.286 338 V C 1.232 176.937 176.094 -0.647 0.000 1.034 338 V CA 1.156 63.044 62.300 -0.688 0.000 1.045 338 V CB 1.063 32.313 31.823 -0.954 0.000 0.974 338 V HN 1.099 nan 8.190 nan 0.000 0.480 339 S N 1.725 117.246 115.700 -0.298 0.000 2.733 339 S HA 0.053 4.528 4.470 0.008 0.000 0.247 339 S C 0.782 175.367 174.600 -0.024 0.000 1.043 339 S CA 0.095 58.202 58.200 -0.155 0.000 1.066 339 S CB -0.370 62.767 63.200 -0.106 0.000 1.045 339 S HN 0.909 nan 8.310 nan 0.000 0.586 340 N N 0.316 119.011 118.700 -0.008 0.000 2.187 340 N HA 0.305 5.050 4.740 0.008 0.000 0.212 340 N C 0.145 175.715 175.510 0.099 0.000 1.152 340 N CA -0.506 52.575 53.050 0.052 0.000 0.872 340 N CB 0.117 38.630 38.487 0.044 0.000 1.025 340 N HN 0.251 nan 8.380 nan 0.000 0.514 341 M N 1.421 121.101 119.600 0.134 0.000 2.288 341 M HA 0.275 4.760 4.480 0.008 0.000 0.334 341 M C -0.555 175.900 176.300 0.259 0.000 1.150 341 M CA -0.742 54.690 55.300 0.221 0.000 1.118 341 M CB 2.264 35.036 32.600 0.286 0.000 1.501 341 M HN 0.142 nan 8.290 nan 0.000 0.462 342 L N 3.384 124.741 121.223 0.225 0.000 2.275 342 L HA 0.445 4.790 4.340 0.008 0.000 0.288 342 L C -1.138 175.859 176.870 0.212 0.000 1.046 342 L CA -0.827 54.130 54.840 0.195 0.000 0.805 342 L CB 0.955 43.078 42.059 0.107 0.000 1.193 342 L HN 0.572 nan 8.230 nan 0.000 0.426 343 L N 5.507 126.854 121.223 0.207 0.000 2.257 343 L HA 0.419 4.764 4.340 0.008 0.000 0.290 343 L C -0.402 176.488 176.870 0.035 0.000 1.044 343 L CA 0.308 55.146 54.840 -0.004 0.000 0.810 343 L CB 0.992 43.038 42.059 -0.022 0.000 1.193 343 L HN 0.616 nan 8.230 nan 0.000 0.425 344 E N 6.562 126.699 120.200 -0.105 0.000 2.133 344 E HA 0.393 4.748 4.350 0.008 0.000 0.274 344 E C -1.542 174.973 176.600 -0.142 0.000 0.930 344 E CA -0.430 55.923 56.400 -0.078 0.000 0.770 344 E CB 1.064 30.716 29.700 -0.080 0.000 1.104 344 E HN 0.740 nan 8.360 nan 0.000 0.403 345 I N 2.719 123.213 120.570 -0.127 0.000 2.500 345 I HA 0.250 4.425 4.170 0.008 0.000 0.286 345 I C 0.734 176.647 176.117 -0.340 0.000 1.063 345 I CA -0.638 60.460 61.300 -0.336 0.000 1.062 345 I CB 1.993 39.732 38.000 -0.435 0.000 1.223 345 I HN 0.782 nan 8.210 nan 0.000 0.435 346 G N 4.226 112.870 108.800 -0.260 0.000 2.379 346 G HA2 -0.105 3.860 3.960 0.008 0.000 0.297 346 G HA3 -0.105 3.860 3.960 0.008 0.000 0.297 346 G C 1.043 176.022 174.900 0.132 0.000 1.004 346 G CA 0.829 45.965 45.100 0.061 0.000 0.921 346 G HN 1.552 nan 8.290 nan 0.000 0.511 347 G N -1.964 106.856 108.800 0.033 0.000 2.241 347 G HA2 -0.244 3.721 3.960 0.008 0.000 0.244 347 G HA3 -0.244 3.721 3.960 0.008 0.000 0.244 347 G C 0.547 175.411 174.900 -0.060 0.000 0.998 347 G CA 0.439 45.555 45.100 0.027 0.000 0.621 347 G HN 1.301 nan 8.290 nan 0.000 0.519 348 L N 0.931 122.065 121.223 -0.149 0.000 2.371 348 L HA 0.558 4.903 4.340 0.008 0.000 0.272 348 L C 0.260 176.911 176.870 -0.365 0.000 1.124 348 L CA -0.213 54.417 54.840 -0.349 0.000 0.816 348 L CB 0.986 42.728 42.059 -0.529 0.000 1.129 348 L HN 0.194 nan 8.230 nan 0.000 0.448 349 E N 3.080 122.998 120.200 -0.470 0.000 2.182 349 E HA 0.324 4.679 4.350 0.008 0.000 0.258 349 E C -1.471 174.878 176.600 -0.420 0.000 0.879 349 E CA -0.378 55.841 56.400 -0.301 0.000 0.754 349 E CB 1.416 31.025 29.700 -0.152 0.000 1.162 349 E HN 0.280 nan 8.360 nan 0.000 0.419 350 F N 2.047 121.978 119.950 -0.033 0.000 2.334 350 F HA 0.087 4.620 4.527 0.010 0.000 0.365 350 F C 1.621 177.463 175.800 0.071 0.000 1.124 350 F CA -0.466 57.542 58.000 0.014 0.000 1.166 350 F CB 0.965 39.958 39.000 -0.012 0.000 1.355 350 F HN 0.405 nan 8.300 nan 0.000 0.532 351 S N 1.366 117.181 115.700 0.191 0.000 2.481 351 S HA 0.249 4.724 4.470 0.008 0.000 0.231 351 S C 0.798 175.528 174.600 0.218 0.000 0.996 351 S CA 0.260 58.563 58.200 0.171 0.000 0.942 351 S CB 0.055 63.331 63.200 0.127 0.000 0.768 351 S HN 0.502 nan 8.310 nan 0.000 0.520 352 A N 0.618 123.611 122.820 0.288 0.000 2.466 352 A HA 0.828 5.153 4.320 0.008 0.000 0.291 352 A C -0.220 177.610 177.584 0.410 0.000 1.234 352 A CA -0.210 52.015 52.037 0.313 0.000 0.752 352 A CB 0.884 20.035 19.000 0.252 0.000 1.153 352 A HN 0.930 nan 8.150 nan 0.000 0.458 353 A N 4.215 127.232 122.820 0.327 0.000 3.307 353 A HA 0.656 4.981 4.320 0.008 0.000 0.289 353 A C -3.095 174.651 177.584 0.268 0.000 1.138 353 A CA -0.991 51.208 52.037 0.270 0.000 0.860 353 A CB 0.518 19.662 19.000 0.241 0.000 1.318 353 A HN 0.489 nan 8.150 nan 0.000 0.551 354 P HA 0.505 nan 4.420 nan 0.000 0.271 354 P C -0.779 176.528 177.300 0.011 0.000 1.216 354 P CA 0.240 63.309 63.100 -0.052 0.000 0.776 354 P CB 0.460 32.080 31.700 -0.134 0.000 0.881 355 F N -0.415 119.477 119.950 -0.097 0.000 2.603 355 F HA 0.801 5.332 4.527 0.007 0.000 0.317 355 F C -0.635 175.088 175.800 -0.128 0.000 1.066 355 F CA -1.165 56.788 58.000 -0.079 0.000 0.941 355 F CB 1.631 40.470 39.000 -0.268 0.000 1.291 355 F HN 0.402 nan 8.300 nan 0.000 0.472 356 S N 0.078 115.860 115.700 0.137 0.000 2.556 356 S HA 0.940 5.415 4.470 0.008 0.000 0.271 356 S C -0.771 173.793 174.600 -0.061 0.000 1.135 356 S CA -0.185 58.030 58.200 0.026 0.000 0.858 356 S CB 1.454 64.758 63.200 0.173 0.000 1.114 356 S HN 1.484 nan 8.310 nan 0.000 0.468 357 G N 0.010 108.729 108.800 -0.134 0.000 3.310 357 G HA2 0.738 4.703 3.960 0.008 0.000 0.174 357 G HA3 0.738 4.703 3.960 0.008 0.000 0.174 357 G C -1.563 173.328 174.900 -0.014 0.000 1.097 357 G CA -0.407 44.547 45.100 -0.244 0.000 0.795 357 G HN 1.095 nan 8.290 nan 0.000 0.670 358 W N -1.355 119.959 121.300 0.023 0.000 2.962 358 W HA 0.812 5.475 4.660 0.006 0.000 0.341 358 W C -1.578 174.947 176.519 0.009 0.000 1.155 358 W CA -2.194 55.179 57.345 0.048 0.000 1.165 358 W CB 0.469 29.999 29.460 0.116 0.000 1.435 358 W HN 0.386 nan 8.180 nan 0.000 0.546 359 Y N 2.782 123.272 120.300 0.317 0.000 2.497 359 Y HA 0.170 4.725 4.550 0.009 0.000 0.334 359 Y C 0.977 176.952 175.900 0.125 0.000 1.199 359 Y CA -0.351 57.819 58.100 0.116 0.000 1.425 359 Y CB 0.942 39.361 38.460 -0.068 0.000 1.291 359 Y HN 0.442 nan 8.280 nan 0.000 0.562 360 M N 2.673 122.435 119.600 0.270 0.000 2.180 360 M HA 0.151 4.636 4.480 0.008 0.000 0.358 360 M C 1.145 177.466 176.300 0.034 0.000 1.233 360 M CA -0.116 55.275 55.300 0.152 0.000 1.114 360 M CB 0.973 33.639 32.600 0.109 0.000 1.594 360 M HN 0.855 nan 8.290 nan 0.000 0.467 361 S N 1.329 117.004 115.700 -0.042 0.000 2.400 361 S HA -0.161 4.314 4.470 0.008 0.000 0.232 361 S C 1.491 175.962 174.600 -0.216 0.000 1.025 361 S CA 1.883 59.970 58.200 -0.187 0.000 0.993 361 S CB -1.174 61.950 63.200 -0.126 0.000 0.808 361 S HN 0.921 nan 8.310 nan 0.000 0.478 362 T N 0.155 114.618 114.554 -0.151 0.000 2.962 362 T HA 0.005 4.360 4.350 0.008 0.000 0.270 362 T C 1.539 176.107 174.700 -0.220 0.000 1.088 362 T CA 1.104 63.070 62.100 -0.224 0.000 1.127 362 T CB -0.574 68.123 68.868 -0.286 0.000 0.883 362 T HN 0.592 nan 8.240 nan 0.000 0.493 363 E N 1.071 121.172 120.200 -0.165 0.000 2.085 363 E HA -0.079 4.276 4.350 0.008 0.000 0.194 363 E C 2.028 178.421 176.600 -0.346 0.000 0.994 363 E CA 1.520 57.839 56.400 -0.136 0.000 0.801 363 E CB -0.355 29.405 29.700 0.100 0.000 0.743 363 E HN 0.605 nan 8.360 nan 0.000 0.453 364 I N 0.075 120.291 120.570 -0.591 0.000 2.385 364 I HA -0.038 4.137 4.170 0.008 0.000 0.244 364 I C 2.571 178.330 176.117 -0.597 0.000 1.089 364 I CA 0.920 61.667 61.300 -0.921 0.000 1.410 364 I CB -0.401 36.883 38.000 -1.192 0.000 1.117 364 I HN 0.092 nan 8.210 nan 0.000 0.429 365 G N 0.172 108.727 108.800 -0.409 0.000 2.421 365 G HA2 -0.132 3.833 3.960 0.008 0.000 0.217 365 G HA3 -0.132 3.833 3.960 0.008 0.000 0.217 365 G C 1.614 176.401 174.900 -0.188 0.000 1.143 365 G CA 1.342 46.292 45.100 -0.249 0.000 0.784 365 G HN 0.289 nan 8.290 nan 0.000 0.541 366 T N -0.066 114.361 114.554 -0.212 0.000 2.988 366 T HA 0.112 4.467 4.350 0.008 0.000 0.240 366 T C 2.502 177.109 174.700 -0.155 0.000 1.014 366 T CA 0.207 62.205 62.100 -0.169 0.000 1.155 366 T CB 0.131 68.883 68.868 -0.194 0.000 0.872 366 T HN 0.015 nan 8.240 nan 0.000 0.440 367 R N 1.843 122.235 120.500 -0.180 0.000 2.051 367 R HA 0.106 4.451 4.340 0.008 0.000 0.225 367 R C 2.045 178.259 176.300 -0.143 0.000 1.155 367 R CA 1.148 57.159 56.100 -0.148 0.000 0.945 367 R CB -1.040 29.183 30.300 -0.128 0.000 0.840 367 R HN 0.340 nan 8.270 nan 0.000 0.432 368 D N 1.018 121.293 120.400 -0.208 0.000 2.144 368 D HA -0.096 4.549 4.640 0.008 0.000 0.199 368 D C 2.061 178.339 176.300 -0.036 0.000 0.984 368 D CA 1.050 54.950 54.000 -0.166 0.000 0.834 368 D CB 0.045 40.461 40.800 -0.640 0.000 0.955 368 D HN 0.156 nan 8.370 nan 0.000 0.465 369 L N -0.464 120.670 121.223 -0.148 0.000 2.354 369 L HA 0.037 4.382 4.340 0.008 0.000 0.212 369 L C 1.993 178.902 176.870 0.065 0.000 1.091 369 L CA 0.378 55.216 54.840 -0.004 0.000 0.828 369 L CB 0.347 42.361 42.059 -0.075 0.000 0.973 369 L HN 0.059 nan 8.230 nan 0.000 0.461 370 C N -1.635 117.664 119.300 -0.001 0.000 3.019 370 C HA 0.167 4.632 4.460 0.008 0.000 0.295 370 C C 0.688 175.677 174.990 -0.001 0.000 1.256 370 C CA -0.906 58.120 59.018 0.014 0.000 1.706 370 C CB -0.200 27.532 27.740 -0.013 0.000 2.153 370 C HN 0.298 nan 8.230 nan 0.000 0.618 371 D N 2.992 123.363 120.400 -0.049 0.000 2.525 371 D HA 0.027 4.672 4.640 0.008 0.000 0.235 371 D C -1.220 175.070 176.300 -0.017 0.000 1.137 371 D CA -1.030 52.922 54.000 -0.081 0.000 0.868 371 D CB 0.619 41.218 40.800 -0.335 0.000 1.180 371 D HN 0.202 nan 8.370 nan 0.000 0.465 372 P HA -0.140 nan 4.420 nan 0.000 0.220 372 P C 0.742 178.135 177.300 0.156 0.000 1.148 372 P CA 1.250 64.432 63.100 0.137 0.000 0.803 372 P CB -0.002 31.788 31.700 0.150 0.000 0.782 373 H N -2.486 116.596 119.070 0.019 0.000 2.529 373 H HA 0.340 4.901 4.556 0.008 0.000 0.277 373 H C 0.991 176.326 175.328 0.011 0.000 1.004 373 H CA -0.221 55.835 56.048 0.012 0.000 1.167 373 H CB -0.034 29.735 29.762 0.011 0.000 1.445 373 H HN -0.045 nan 8.280 nan 0.000 0.554 374 R N -0.077 120.296 120.500 -0.210 0.000 2.893 374 R HA 0.185 4.530 4.340 0.008 0.000 0.159 374 R C 1.174 177.434 176.300 -0.065 0.000 1.366 374 R CA -0.708 55.310 56.100 -0.138 0.000 0.929 374 R CB -0.842 29.399 30.300 -0.099 0.000 1.796 374 R HN 0.102 nan 8.270 nan 0.000 0.464 375 Y N 1.544 121.867 120.300 0.038 0.000 2.421 375 Y HA -0.068 4.487 4.550 0.008 0.000 0.292 375 Y C 0.770 176.702 175.900 0.053 0.000 1.136 375 Y CA 1.423 59.563 58.100 0.068 0.000 1.255 375 Y CB -0.176 38.370 38.460 0.142 0.000 0.991 375 Y HN 0.557 nan 8.280 nan 0.000 0.552 376 N N 0.788 119.586 118.700 0.164 0.000 2.714 376 N HA -0.221 4.524 4.740 0.008 0.000 0.253 376 N C 0.459 176.054 175.510 0.142 0.000 1.024 376 N CA 0.361 53.483 53.050 0.119 0.000 0.726 376 N CB -1.053 37.487 38.487 0.089 0.000 0.908 376 N HN 0.626 nan 8.380 nan 0.000 0.542 377 I N -3.313 117.350 120.570 0.156 0.000 3.883 377 I HA 0.033 4.208 4.170 0.008 0.000 0.326 377 I C 1.787 177.998 176.117 0.158 0.000 1.283 377 I CA -0.438 60.952 61.300 0.150 0.000 1.161 377 I CB -0.011 38.080 38.000 0.150 0.000 1.012 377 I HN 0.084 nan 8.210 nan 0.000 0.421 378 L N 1.918 123.245 121.223 0.172 0.000 1.997 378 L HA -0.266 4.079 4.340 0.008 0.000 0.216 378 L C 2.625 179.697 176.870 0.337 0.000 1.074 378 L CA 2.262 57.238 54.840 0.228 0.000 0.763 378 L CB -1.057 41.113 42.059 0.184 0.000 0.890 378 L HN 0.518 nan 8.230 nan 0.000 0.434 379 E N -1.147 119.256 120.200 0.338 0.000 2.077 379 E HA -0.220 4.135 4.350 0.008 0.000 0.193 379 E C 1.757 178.393 176.600 0.059 0.000 0.989 379 E CA 1.260 57.788 56.400 0.214 0.000 0.800 379 E CB 0.042 29.809 29.700 0.112 0.000 0.746 379 E HN 0.506 nan 8.360 nan 0.000 0.452 380 D N 0.027 120.465 120.400 0.063 0.000 2.123 380 D HA -0.151 4.494 4.640 0.008 0.000 0.196 380 D C 2.056 178.352 176.300 -0.007 0.000 0.992 380 D CA 1.099 55.103 54.000 0.006 0.000 0.833 380 D CB -0.124 40.688 40.800 0.021 0.000 0.954 380 D HN 0.140 nan 8.370 nan 0.000 0.455 381 V N 1.461 121.423 119.914 0.080 0.000 2.453 381 V HA -0.169 3.956 4.120 0.008 0.000 0.247 381 V C 2.549 178.718 176.094 0.126 0.000 1.048 381 V CA 1.564 63.950 62.300 0.143 0.000 1.049 381 V CB -0.676 31.312 31.823 0.275 0.000 0.672 381 V HN 0.160 nan 8.190 nan 0.000 0.457 382 A N -0.194 122.718 122.820 0.154 0.000 1.933 382 A HA -0.153 4.172 4.320 0.008 0.000 0.218 382 A C 2.401 179.964 177.584 -0.036 0.000 1.175 382 A CA 1.961 54.080 52.037 0.136 0.000 0.628 382 A CB -0.642 18.526 19.000 0.281 0.000 0.814 382 A HN 0.324 nan 8.150 nan 0.000 0.444 383 V N -0.750 119.096 119.914 -0.114 0.000 2.343 383 V HA -0.331 3.794 4.120 0.008 0.000 0.247 383 V C 2.644 178.587 176.094 -0.252 0.000 1.051 383 V CA 2.104 64.296 62.300 -0.181 0.000 1.036 383 V CB -0.996 30.722 31.823 -0.174 0.000 0.654 383 V HN 0.724 nan 8.190 nan 0.000 0.451 384 C N -0.391 118.690 119.300 -0.365 0.000 2.425 384 C HA -0.168 4.297 4.460 0.008 0.000 0.277 384 C C 2.625 177.187 174.990 -0.713 0.000 1.280 384 C CA 1.065 59.614 59.018 -0.781 0.000 1.744 384 C CB -1.042 25.898 27.740 -1.333 0.000 1.989 384 C HN 0.534 nan 8.230 nan 0.000 0.491 385 M N 0.002 119.446 119.600 -0.260 0.000 2.618 385 M HA 0.014 4.499 4.480 0.008 0.000 0.240 385 M C 0.796 177.088 176.300 -0.013 0.000 1.123 385 M CA 0.895 56.215 55.300 0.034 0.000 1.060 385 M CB -0.346 32.369 32.600 0.192 0.000 1.535 385 M HN 0.392 nan 8.290 nan 0.000 0.507 386 D N 1.692 122.033 120.400 -0.098 0.000 2.870 386 D HA -0.166 4.479 4.640 0.008 0.000 0.228 386 D C -0.702 175.573 176.300 -0.042 0.000 1.147 386 D CA 0.364 54.316 54.000 -0.081 0.000 0.757 386 D CB -0.752 40.009 40.800 -0.064 0.000 1.091 386 D HN 0.333 nan 8.370 nan 0.000 0.429 387 L N 0.396 121.603 121.223 -0.026 0.000 2.453 387 L HA 0.189 4.534 4.340 0.008 0.000 0.261 387 L C 1.073 177.896 176.870 -0.078 0.000 1.179 387 L CA -0.283 54.563 54.840 0.009 0.000 0.813 387 L CB 0.385 42.512 42.059 0.113 0.000 1.110 387 L HN -0.036 nan 8.230 nan 0.000 0.466 388 D N 0.490 120.863 120.400 -0.045 0.000 2.402 388 D HA 0.021 4.666 4.640 0.008 0.000 0.235 388 D C 1.028 177.154 176.300 -0.289 0.000 1.226 388 D CA -0.191 53.742 54.000 -0.111 0.000 0.918 388 D CB 0.869 41.657 40.800 -0.020 0.000 1.043 388 D HN 0.597 nan 8.370 nan 0.000 0.506 389 T N 0.790 114.988 114.554 -0.594 0.000 3.148 389 T HA 0.061 4.416 4.350 0.008 0.000 0.253 389 T C 1.473 175.795 174.700 -0.631 0.000 1.134 389 T CA 0.139 61.455 62.100 -1.307 0.000 1.051 389 T CB 0.008 68.043 68.868 -1.389 0.000 0.959 389 T HN 0.262 nan 8.240 nan 0.000 0.525 390 R N 0.632 120.969 120.500 -0.272 0.000 2.275 390 R HA 0.177 4.522 4.340 0.008 0.000 0.199 390 R C 0.850 177.168 176.300 0.029 0.000 0.989 390 R CA 0.603 56.645 56.100 -0.097 0.000 1.016 390 R CB 0.163 30.419 30.300 -0.073 0.000 0.918 390 R HN 0.380 nan 8.270 nan 0.000 0.473 391 T N -1.152 113.464 114.554 0.103 0.000 2.912 391 T HA 0.118 4.473 4.350 0.008 0.000 0.299 391 T C 1.091 175.977 174.700 0.310 0.000 1.052 391 T CA -0.657 61.544 62.100 0.168 0.000 0.996 391 T CB 1.842 70.772 68.868 0.102 0.000 1.070 391 T HN 0.171 nan 8.240 nan 0.000 0.465 392 T N 0.712 115.399 114.554 0.222 0.000 2.904 392 T HA -0.060 4.295 4.350 0.008 0.000 0.267 392 T C 2.021 176.777 174.700 0.094 0.000 1.059 392 T CA 1.465 63.655 62.100 0.151 0.000 1.137 392 T CB -0.537 68.368 68.868 0.062 0.000 0.879 392 T HN 0.691 nan 8.240 nan 0.000 0.467 393 S N 1.857 117.615 115.700 0.097 0.000 2.607 393 S HA 0.021 4.496 4.470 0.008 0.000 0.224 393 S C 2.037 176.687 174.600 0.083 0.000 0.969 393 S CA 0.516 58.755 58.200 0.065 0.000 0.927 393 S CB -0.742 62.488 63.200 0.050 0.000 0.772 393 S HN 0.702 nan 8.310 nan 0.000 0.533 394 S N 1.773 117.559 115.700 0.143 0.000 2.522 394 S HA 0.180 4.655 4.470 0.008 0.000 0.227 394 S C 1.032 175.717 174.600 0.140 0.000 0.986 394 S CA 0.273 58.565 58.200 0.154 0.000 0.929 394 S CB -1.039 62.285 63.200 0.206 0.000 0.769 394 S HN 0.665 nan 8.310 nan 0.000 0.529 395 L N 0.641 121.913 121.223 0.082 0.000 3.843 395 L HA -0.189 4.156 4.340 0.008 0.000 0.411 395 L C 1.724 178.605 176.870 0.017 0.000 1.205 395 L CA 0.754 55.585 54.840 -0.014 0.000 0.945 395 L CB -2.597 39.461 42.059 -0.001 0.000 1.929 395 L HN 0.742 nan 8.230 nan 0.000 0.934 396 W N 0.221 121.533 121.300 0.019 0.000 2.342 396 W HA -0.197 4.468 4.660 0.008 0.000 0.297 396 W C 1.754 178.290 176.519 0.029 0.000 1.213 396 W CA 1.474 58.833 57.345 0.024 0.000 1.251 396 W CB -0.762 28.709 29.460 0.018 0.000 1.136 396 W HN 0.283 nan 8.180 nan 0.000 0.526 397 K N 1.001 121.004 120.400 -0.661 0.000 2.057 397 K HA -0.162 4.163 4.320 0.008 0.000 0.207 397 K C 1.556 178.023 176.600 -0.222 0.000 1.049 397 K CA 2.348 58.269 56.287 -0.611 0.000 0.931 397 K CB -0.356 31.610 32.500 -0.890 0.000 0.714 397 K HN 0.050 nan 8.250 nan 0.000 0.440 398 D N 0.623 120.916 120.400 -0.180 0.000 2.117 398 D HA -0.121 4.524 4.640 0.008 0.000 0.198 398 D C 1.631 177.922 176.300 -0.014 0.000 0.982 398 D CA 1.175 55.123 54.000 -0.086 0.000 0.828 398 D CB 0.030 40.786 40.800 -0.073 0.000 0.967 398 D HN 0.118 nan 8.370 nan 0.000 0.464 399 K N 0.476 120.893 120.400 0.029 0.000 2.025 399 K HA 0.018 4.343 4.320 0.008 0.000 0.207 399 K C 2.221 178.885 176.600 0.106 0.000 1.049 399 K CA 1.117 57.450 56.287 0.077 0.000 0.933 399 K CB -0.155 32.411 32.500 0.110 0.000 0.714 399 K HN 0.089 nan 8.250 nan 0.000 0.438 400 A N 1.512 124.416 122.820 0.141 0.000 1.933 400 A HA -0.096 4.229 4.320 0.008 0.000 0.218 400 A C 2.357 180.021 177.584 0.134 0.000 1.175 400 A CA 1.766 53.913 52.037 0.182 0.000 0.628 400 A CB -0.636 18.511 19.000 0.246 0.000 0.814 400 A HN 0.335 nan 8.150 nan 0.000 0.444 401 A N -0.497 122.361 122.820 0.064 0.000 1.902 401 A HA -0.015 4.310 4.320 0.008 0.000 0.217 401 A C 2.213 179.808 177.584 0.019 0.000 1.181 401 A CA 1.779 53.830 52.037 0.022 0.000 0.623 401 A CB -0.923 18.054 19.000 -0.039 0.000 0.818 401 A HN 0.385 nan 8.150 nan 0.000 0.443 402 V N 0.347 120.280 119.914 0.031 0.000 2.343 402 V HA -0.218 3.907 4.120 0.008 0.000 0.247 402 V C 2.568 178.696 176.094 0.055 0.000 1.051 402 V CA 2.169 64.493 62.300 0.039 0.000 1.036 402 V CB -0.680 31.174 31.823 0.051 0.000 0.654 402 V HN 0.523 nan 8.190 nan 0.000 0.451 403 E N -0.073 120.182 120.200 0.091 0.000 2.072 403 E HA -0.104 4.251 4.350 0.008 0.000 0.190 403 E C 2.153 178.784 176.600 0.053 0.000 0.982 403 E CA 1.131 57.608 56.400 0.127 0.000 0.803 403 E CB -0.305 29.456 29.700 0.101 0.000 0.755 403 E HN 0.579 nan 8.360 nan 0.000 0.453 404 I N 1.805 122.432 120.570 0.094 0.000 2.163 404 I HA -0.286 3.889 4.170 0.008 0.000 0.243 404 I C 2.183 178.279 176.117 -0.035 0.000 1.085 404 I CA 0.965 62.320 61.300 0.091 0.000 1.347 404 I CB -0.358 37.758 38.000 0.193 0.000 1.044 404 I HN 0.077 nan 8.210 nan 0.000 0.408 405 N N 0.677 119.354 118.700 -0.038 0.000 2.120 405 N HA -0.183 4.562 4.740 0.008 0.000 0.188 405 N C 1.936 177.401 175.510 -0.076 0.000 1.024 405 N CA 1.253 54.261 53.050 -0.071 0.000 0.852 405 N CB -0.242 38.211 38.487 -0.056 0.000 1.003 405 N HN 0.191 nan 8.380 nan 0.000 0.424 406 L N 1.644 122.820 121.223 -0.078 0.000 2.042 406 L HA -0.101 4.244 4.340 0.008 0.000 0.210 406 L C 2.277 179.007 176.870 -0.234 0.000 1.076 406 L CA 1.534 56.287 54.840 -0.146 0.000 0.749 406 L CB -0.888 41.060 42.059 -0.186 0.000 0.893 406 L HN 0.079 nan 8.230 nan 0.000 0.432 407 A N -1.343 121.288 122.820 -0.315 0.000 1.902 407 A HA -0.151 4.174 4.320 0.008 0.000 0.217 407 A C 2.276 179.784 177.584 -0.127 0.000 1.181 407 A CA 1.959 53.763 52.037 -0.387 0.000 0.623 407 A CB -1.083 17.369 19.000 -0.914 0.000 0.818 407 A HN 0.300 nan 8.150 nan 0.000 0.443 408 V N -0.054 119.805 119.914 -0.092 0.000 2.255 408 V HA -0.291 3.834 4.120 0.008 0.000 0.247 408 V C 2.588 178.688 176.094 0.011 0.000 1.051 408 V CA 2.152 64.435 62.300 -0.029 0.000 1.018 408 V CB -0.816 30.902 31.823 -0.175 0.000 0.641 408 V HN 0.575 nan 8.190 nan 0.000 0.445 409 L N -0.680 120.516 121.223 -0.046 0.000 2.042 409 L HA -0.244 4.101 4.340 0.008 0.000 0.210 409 L C 2.601 179.501 176.870 0.049 0.000 1.076 409 L CA 2.220 57.053 54.840 -0.012 0.000 0.749 409 L CB -0.711 41.337 42.059 -0.019 0.000 0.893 409 L HN 0.491 nan 8.230 nan 0.000 0.432 410 H N -0.780 118.247 119.070 -0.073 0.000 2.357 410 H HA -0.117 4.444 4.556 0.009 0.000 0.301 410 H C 2.320 177.635 175.328 -0.020 0.000 1.082 410 H CA 1.859 57.857 56.048 -0.083 0.000 1.342 410 H CB 0.124 29.773 29.762 -0.189 0.000 1.389 410 H HN 0.175 nan 8.280 nan 0.000 0.511 411 S N -0.366 115.338 115.700 0.007 0.000 2.368 411 S HA -0.089 4.386 4.470 0.008 0.000 0.224 411 S C 1.850 176.447 174.600 -0.005 0.000 1.029 411 S CA 1.060 59.248 58.200 -0.020 0.000 0.988 411 S CB -0.396 62.856 63.200 0.087 0.000 0.838 411 S HN 0.306 nan 8.310 nan 0.000 0.462 412 F N 2.114 122.013 119.950 -0.085 0.000 2.134 412 F HA -0.084 4.447 4.527 0.008 0.000 0.299 412 F C 2.652 178.401 175.800 -0.085 0.000 1.097 412 F CA 1.035 59.004 58.000 -0.053 0.000 1.264 412 F CB -0.680 38.312 39.000 -0.014 0.000 1.001 412 F HN 0.198 nan 8.300 nan 0.000 0.479 413 Q N -0.499 119.338 119.800 0.062 0.000 2.084 413 Q HA -0.220 4.125 4.340 0.008 0.000 0.202 413 Q C 2.223 178.152 176.000 -0.118 0.000 0.978 413 Q CA 1.590 57.368 55.803 -0.041 0.000 0.844 413 Q CB -0.489 28.213 28.738 -0.060 0.000 0.898 413 Q HN 0.361 nan 8.270 nan 0.000 0.426 414 L N 0.190 121.280 121.223 -0.222 0.000 2.093 414 L HA -0.056 4.289 4.340 0.008 0.000 0.208 414 L C 1.906 178.689 176.870 -0.145 0.000 1.085 414 L CA 1.764 56.465 54.840 -0.232 0.000 0.755 414 L CB -0.407 41.438 42.059 -0.357 0.000 0.904 414 L HN 0.109 nan 8.230 nan 0.000 0.435 415 A N -1.213 121.523 122.820 -0.141 0.000 2.235 415 A HA 0.004 4.329 4.320 0.008 0.000 0.208 415 A C 0.822 178.345 177.584 -0.103 0.000 1.172 415 A CA 0.144 52.102 52.037 -0.132 0.000 0.786 415 A CB -0.412 18.470 19.000 -0.197 0.000 0.804 415 A HN 0.442 nan 8.150 nan 0.000 0.479 416 K N -0.953 119.399 120.400 -0.081 0.000 3.096 416 K HA -0.133 4.192 4.320 0.008 0.000 0.266 416 K C -0.691 175.884 176.600 -0.041 0.000 1.043 416 K CA 0.811 57.064 56.287 -0.057 0.000 0.758 416 K CB -2.543 29.923 32.500 -0.055 0.000 1.260 416 K HN 0.287 nan 8.250 nan 0.000 0.481 417 V N 1.195 121.099 119.914 -0.016 0.000 2.459 417 V HA 0.153 4.278 4.120 0.008 0.000 0.295 417 V C 0.846 177.033 176.094 0.154 0.000 1.029 417 V CA -0.676 61.651 62.300 0.046 0.000 0.874 417 V CB 1.947 33.734 31.823 -0.060 0.000 0.985 417 V HN 0.268 nan 8.190 nan 0.000 0.438 418 T N 6.363 120.967 114.554 0.083 0.000 2.908 418 T HA 0.391 4.745 4.350 0.008 0.000 0.301 418 T C -0.260 174.513 174.700 0.122 0.000 1.019 418 T CA 0.861 62.934 62.100 -0.046 0.000 1.152 418 T CB 0.051 68.751 68.868 -0.279 0.000 0.966 418 T HN 0.566 nan 8.240 nan 0.000 0.540 419 I N 2.578 123.157 120.570 0.014 0.000 2.908 419 I HA 0.614 4.789 4.170 0.008 0.000 0.300 419 I C -1.511 174.632 176.117 0.044 0.000 1.385 419 I CA -0.938 60.411 61.300 0.082 0.000 1.004 419 I CB 1.946 39.933 38.000 -0.022 0.000 1.309 419 I HN 0.442 nan 8.210 nan 0.000 0.449 420 V N 5.489 125.495 119.914 0.153 0.000 2.656 420 V HA 0.491 4.616 4.120 0.008 0.000 0.307 420 V C -1.058 175.092 176.094 0.093 0.000 1.051 420 V CA -0.304 62.080 62.300 0.140 0.000 0.893 420 V CB 2.122 34.112 31.823 0.278 0.000 0.999 420 V HN 0.883 nan 8.190 nan 0.000 0.426 421 D N 4.129 124.560 120.400 0.052 0.000 2.358 421 D HA 0.130 4.775 4.640 0.008 0.000 0.244 421 D C 1.286 177.588 176.300 0.004 0.000 1.163 421 D CA 0.274 54.290 54.000 0.026 0.000 0.945 421 D CB 0.454 41.243 40.800 -0.020 0.000 1.152 421 D HN 0.728 nan 8.370 nan 0.000 0.451 422 H N 0.077 119.080 119.070 -0.112 0.000 2.456 422 H HA -0.140 4.421 4.556 0.008 0.000 0.296 422 H C 1.055 176.283 175.328 -0.166 0.000 1.079 422 H CA 1.372 57.319 56.048 -0.168 0.000 1.322 422 H CB -0.630 28.976 29.762 -0.260 0.000 1.388 422 H HN 0.534 nan 8.280 nan 0.000 0.538 423 H N 1.139 119.997 119.070 -0.353 0.000 2.326 423 H HA 0.130 4.691 4.556 0.008 0.000 0.301 423 H C 2.489 177.792 175.328 -0.042 0.000 1.081 423 H CA 1.350 57.292 56.048 -0.177 0.000 1.334 423 H CB -0.254 29.376 29.762 -0.219 0.000 1.385 423 H HN 0.518 nan 8.280 nan 0.000 0.504 424 A N 1.378 124.251 122.820 0.088 0.000 1.898 424 A HA -0.001 4.324 4.320 0.008 0.000 0.216 424 A C 2.697 180.352 177.584 0.119 0.000 1.181 424 A CA 1.465 53.558 52.037 0.093 0.000 0.620 424 A CB -0.741 18.304 19.000 0.075 0.000 0.819 424 A HN 0.414 nan 8.150 nan 0.000 0.442 425 A N -0.007 122.884 122.820 0.118 0.000 1.883 425 A HA -0.145 4.180 4.320 0.008 0.000 0.217 425 A C 2.471 180.153 177.584 0.164 0.000 1.186 425 A CA 2.727 54.853 52.037 0.148 0.000 0.624 425 A CB -1.463 17.615 19.000 0.129 0.000 0.822 425 A HN 0.753 nan 8.150 nan 0.000 0.444 426 T N -2.715 111.919 114.554 0.133 0.000 2.821 426 T HA -0.074 4.281 4.350 0.008 0.000 0.267 426 T C 1.702 176.530 174.700 0.214 0.000 1.046 426 T CA 1.318 63.519 62.100 0.167 0.000 1.139 426 T CB -0.791 68.143 68.868 0.110 0.000 0.871 426 T HN 0.055 nan 8.240 nan 0.000 0.454 427 V N 2.007 122.022 119.914 0.168 0.000 2.287 427 V HA -0.202 3.923 4.120 0.008 0.000 0.248 427 V C 3.082 179.267 176.094 0.152 0.000 1.053 427 V CA 2.268 64.657 62.300 0.148 0.000 1.027 427 V CB -1.012 30.879 31.823 0.113 0.000 0.646 427 V HN 0.543 nan 8.190 nan 0.000 0.447 428 S N -0.604 115.195 115.700 0.165 0.000 2.382 428 S HA -0.183 4.292 4.470 0.008 0.000 0.228 428 S C 1.756 176.479 174.600 0.205 0.000 1.027 428 S CA 1.699 59.998 58.200 0.166 0.000 0.991 428 S CB -0.459 62.844 63.200 0.173 0.000 0.823 428 S HN 0.597 nan 8.310 nan 0.000 0.469 429 F N 2.154 122.168 119.950 0.107 0.000 2.171 429 F HA -0.066 4.466 4.527 0.008 0.000 0.300 429 F C 2.088 177.977 175.800 0.149 0.000 1.090 429 F CA 1.131 59.208 58.000 0.128 0.000 1.293 429 F CB -0.253 38.802 39.000 0.093 0.000 1.013 429 F HN 0.090 nan 8.300 nan 0.000 0.486 430 M N 0.081 119.771 119.600 0.149 0.000 2.159 430 M HA -0.178 4.307 4.480 0.008 0.000 0.263 430 M C 2.183 178.467 176.300 -0.026 0.000 1.063 430 M CA 1.487 56.815 55.300 0.048 0.000 1.110 430 M CB -1.177 31.493 32.600 0.118 0.000 1.374 430 M HN 0.085 nan 8.290 nan 0.000 0.411 431 K N -0.179 120.233 120.400 0.020 0.000 2.026 431 K HA -0.204 4.121 4.320 0.008 0.000 0.208 431 K C 1.974 178.556 176.600 -0.030 0.000 1.048 431 K CA 1.815 58.107 56.287 0.009 0.000 0.929 431 K CB -0.646 31.882 32.500 0.047 0.000 0.713 431 K HN 0.360 nan 8.250 nan 0.000 0.439 432 H N 0.241 119.224 119.070 -0.144 0.000 2.319 432 H HA -0.066 4.495 4.556 0.008 0.000 0.299 432 H C 1.731 176.888 175.328 -0.286 0.000 1.092 432 H CA 2.370 58.295 56.048 -0.205 0.000 1.302 432 H CB -0.295 29.310 29.762 -0.262 0.000 1.373 432 H HN 0.178 nan 8.280 nan 0.000 0.497 433 L N -0.218 120.694 121.223 -0.517 0.000 2.013 433 L HA -0.238 4.107 4.340 0.008 0.000 0.212 433 L C 2.369 179.078 176.870 -0.268 0.000 1.073 433 L CA 1.985 56.567 54.840 -0.431 0.000 0.753 433 L CB -0.577 41.304 42.059 -0.297 0.000 0.890 433 L HN 0.417 nan 8.230 nan 0.000 0.432 434 D N -0.231 120.061 120.400 -0.180 0.000 2.097 434 D HA -0.180 4.465 4.640 0.008 0.000 0.195 434 D C 1.929 178.157 176.300 -0.120 0.000 0.989 434 D CA 1.181 55.113 54.000 -0.113 0.000 0.827 434 D CB 0.065 40.826 40.800 -0.064 0.000 0.966 434 D HN 0.169 nan 8.370 nan 0.000 0.456 435 N N 0.587 119.207 118.700 -0.134 0.000 2.061 435 N HA -0.155 4.590 4.740 0.008 0.000 0.193 435 N C 1.619 177.046 175.510 -0.138 0.000 1.030 435 N CA 0.986 53.975 53.050 -0.103 0.000 0.856 435 N CB -0.333 38.120 38.487 -0.055 0.000 1.023 435 N HN 0.341 nan 8.380 nan 0.000 0.424 436 E N 0.527 120.563 120.200 -0.273 0.000 2.208 436 E HA -0.132 4.223 4.350 0.008 0.000 0.193 436 E C 1.897 178.399 176.600 -0.164 0.000 0.988 436 E CA 0.460 56.702 56.400 -0.264 0.000 0.828 436 E CB -0.100 29.328 29.700 -0.453 0.000 0.763 436 E HN 0.342 nan 8.360 nan 0.000 0.478 437 Q N 1.504 121.216 119.800 -0.148 0.000 2.050 437 Q HA -0.119 4.226 4.340 0.008 0.000 0.202 437 Q C 1.841 177.796 176.000 -0.075 0.000 0.980 437 Q CA 1.710 57.456 55.803 -0.095 0.000 0.840 437 Q CB 0.017 28.708 28.738 -0.079 0.000 0.898 437 Q HN 0.103 nan 8.270 nan 0.000 0.424 438 K N -0.823 119.536 120.400 -0.069 0.000 2.057 438 K HA -0.015 4.310 4.320 0.008 0.000 0.206 438 K C 1.979 178.552 176.600 -0.044 0.000 1.050 438 K CA 1.049 57.306 56.287 -0.049 0.000 0.935 438 K CB -0.150 32.327 32.500 -0.039 0.000 0.715 438 K HN 0.253 nan 8.250 nan 0.000 0.439 439 A N 0.928 123.721 122.820 -0.046 0.000 1.930 439 A HA -0.031 4.294 4.320 0.008 0.000 0.215 439 A C 1.814 179.375 177.584 -0.039 0.000 1.176 439 A CA 1.078 53.100 52.037 -0.025 0.000 0.632 439 A CB 0.073 19.077 19.000 0.006 0.000 0.819 439 A HN 0.132 nan 8.150 nan 0.000 0.445 440 R N -2.986 117.476 120.500 -0.062 0.000 2.544 440 R HA 0.226 4.571 4.340 0.008 0.000 0.303 440 R C 0.825 177.080 176.300 -0.074 0.000 0.939 440 R CA 0.616 56.677 56.100 -0.065 0.000 1.102 440 R CB 0.831 31.085 30.300 -0.077 0.000 1.440 440 R HN 0.721 nan 8.270 nan 0.000 0.532 441 G N 0.944 109.696 108.800 -0.081 0.000 2.137 441 G HA2 -0.184 3.781 3.960 0.008 0.000 0.237 441 G HA3 -0.184 3.781 3.960 0.008 0.000 0.237 441 G C 0.203 175.061 174.900 -0.071 0.000 1.002 441 G CA 0.158 45.201 45.100 -0.095 0.000 0.702 441 G HN 0.727 nan 8.290 nan 0.000 0.515 442 G N -2.389 106.383 108.800 -0.047 0.000 2.341 442 G HA2 0.542 4.507 3.960 0.008 0.000 0.293 442 G HA3 0.542 4.507 3.960 0.008 0.000 0.293 442 G C -0.849 174.050 174.900 -0.002 0.000 1.298 442 G CA 0.423 45.528 45.100 0.008 0.000 0.868 442 G HN 1.952 nan 8.290 nan 0.000 0.540 443 C N 1.830 121.157 119.300 0.045 0.000 2.817 443 C HA 0.723 5.188 4.460 0.008 0.000 0.385 443 C C -2.603 172.356 174.990 -0.051 0.000 1.050 443 C CA -1.117 57.878 59.018 -0.038 0.000 1.245 443 C CB 1.284 28.941 27.740 -0.140 0.000 1.706 443 C HN 0.705 nan 8.230 nan 0.000 0.488 444 P HA 0.442 nan 4.420 nan 0.000 0.271 444 P C -0.701 176.501 177.300 -0.162 0.000 1.226 444 P CA 0.499 63.240 63.100 -0.597 0.000 0.765 444 P CB 1.166 32.248 31.700 -1.030 0.000 0.835 445 A N 2.544 125.341 122.820 -0.038 0.000 2.488 445 A HA 0.441 4.766 4.320 0.008 0.000 0.298 445 A C -1.171 176.472 177.584 0.099 0.000 1.044 445 A CA -0.535 51.567 52.037 0.109 0.000 0.693 445 A CB 1.343 20.540 19.000 0.328 0.000 1.272 445 A HN 0.440 nan 8.150 nan 0.000 0.402 446 D N 1.893 122.339 120.400 0.077 0.000 2.473 446 D HA 0.143 4.788 4.640 0.008 0.000 0.226 446 D C 0.786 177.230 176.300 0.240 0.000 1.089 446 D CA -0.526 53.552 54.000 0.130 0.000 0.883 446 D CB 0.373 41.174 40.800 0.002 0.000 1.029 446 D HN 0.602 nan 8.370 nan 0.000 0.517 447 W N 4.341 125.696 121.300 0.092 0.000 2.321 447 W HA -0.289 4.376 4.660 0.009 0.000 0.306 447 W C 1.849 178.418 176.519 0.083 0.000 1.217 447 W CA 2.274 59.659 57.345 0.068 0.000 1.257 447 W CB 0.071 29.548 29.460 0.027 0.000 1.145 447 W HN 0.543 nan 8.180 nan 0.000 0.509 448 A N -1.233 121.884 122.820 0.496 0.000 2.070 448 A HA -0.171 4.154 4.320 0.008 0.000 0.220 448 A C 1.405 179.026 177.584 0.062 0.000 1.159 448 A CA 1.531 53.761 52.037 0.322 0.000 0.656 448 A CB -1.201 18.027 19.000 0.380 0.000 0.800 448 A HN 0.544 nan 8.150 nan 0.000 0.453 449 W N -1.011 120.257 121.300 -0.053 0.000 2.762 449 W HA 0.212 4.877 4.660 0.008 0.000 0.265 449 W C 1.800 178.205 176.519 -0.189 0.000 1.263 449 W CA -0.183 57.110 57.345 -0.088 0.000 1.411 449 W CB -0.056 29.382 29.460 -0.036 0.000 1.065 449 W HN 0.126 nan 8.180 nan 0.000 0.609 450 I N -0.153 120.369 120.570 -0.081 0.000 2.333 450 I HA -0.060 4.115 4.170 0.008 0.000 0.246 450 I C 0.714 176.630 176.117 -0.334 0.000 1.106 450 I CA 0.725 61.845 61.300 -0.300 0.000 1.411 450 I CB -1.459 36.283 38.000 -0.430 0.000 1.082 450 I HN -0.416 nan 8.210 nan 0.000 0.420 451 V N 4.360 123.987 119.914 -0.477 0.000 2.529 451 V HA 0.058 4.183 4.120 0.008 0.000 0.292 451 V C -1.897 174.022 176.094 -0.292 0.000 1.028 451 V CA -0.940 61.075 62.300 -0.475 0.000 1.074 451 V CB -0.066 31.225 31.823 -0.886 0.000 0.958 451 V HN 0.143 nan 8.190 nan 0.000 0.481 452 P HA 0.207 nan 4.420 nan 0.000 0.272 452 P C -1.977 175.200 177.300 -0.205 0.000 1.230 452 P CA -1.548 61.436 63.100 -0.193 0.000 0.788 452 P CB 0.074 31.670 31.700 -0.175 0.000 0.949 453 P HA 0.064 nan 4.420 nan 0.000 0.241 453 P C 0.191 177.376 177.300 -0.191 0.000 1.191 453 P CA 0.812 63.797 63.100 -0.192 0.000 0.771 453 P CB 0.138 31.722 31.700 -0.193 0.000 0.929 454 I N -5.735 114.678 120.570 -0.262 0.000 2.646 454 I HA 0.503 4.678 4.170 0.008 0.000 0.299 454 I C 0.061 176.056 176.117 -0.202 0.000 1.036 454 I CA -1.144 60.017 61.300 -0.232 0.000 1.074 454 I CB 1.936 39.778 38.000 -0.263 0.000 1.258 454 I HN -0.381 nan 8.210 nan 0.000 0.430 455 S N 2.432 118.070 115.700 -0.104 0.000 3.561 455 S HA -0.190 4.284 4.470 0.008 0.000 0.318 455 S C 1.425 175.996 174.600 -0.048 0.000 1.181 455 S CA 0.785 58.965 58.200 -0.032 0.000 0.916 455 S CB -1.726 61.529 63.200 0.090 0.000 0.966 455 S HN 1.296 nan 8.310 nan 0.000 0.550 456 G N 2.291 111.034 108.800 -0.094 0.000 2.732 456 G HA2 -0.382 3.583 3.960 0.008 0.000 0.222 456 G HA3 -0.382 3.583 3.960 0.008 0.000 0.222 456 G C 1.446 176.229 174.900 -0.196 0.000 1.203 456 G CA 1.849 46.904 45.100 -0.075 0.000 0.780 456 G HN 1.395 nan 8.290 nan 0.000 0.621 457 S N -0.220 115.101 115.700 -0.631 0.000 2.561 457 S HA 0.165 4.640 4.470 0.008 0.000 0.225 457 S C 1.937 176.447 174.600 -0.150 0.000 0.977 457 S CA 0.612 58.256 58.200 -0.927 0.000 0.926 457 S CB 0.032 62.457 63.200 -1.292 0.000 0.769 457 S HN 0.069 nan 8.310 nan 0.000 0.533 458 L N 2.570 123.772 121.223 -0.035 0.000 2.478 458 L HA 0.235 4.580 4.340 0.008 0.000 0.223 458 L C 1.358 178.350 176.870 0.204 0.000 1.140 458 L CA 0.701 55.610 54.840 0.115 0.000 0.842 458 L CB -1.160 40.996 42.059 0.162 0.000 0.953 458 L HN 0.604 nan 8.230 nan 0.000 0.452 459 T N -4.295 110.369 114.554 0.182 0.000 2.925 459 T HA 0.381 4.736 4.350 0.008 0.000 0.285 459 T C -1.716 173.145 174.700 0.268 0.000 1.021 459 T CA -1.874 60.354 62.100 0.213 0.000 1.042 459 T CB 1.982 70.931 68.868 0.136 0.000 1.037 459 T HN -0.145 nan 8.240 nan 0.000 0.481 460 P HA -0.048 nan 4.420 nan 0.000 0.221 460 P C 1.801 179.302 177.300 0.335 0.000 1.150 460 P CA 0.821 64.114 63.100 0.322 0.000 0.800 460 P CB -0.342 31.494 31.700 0.226 0.000 0.787 461 V N -3.646 116.415 119.914 0.244 0.000 2.626 461 V HA -0.195 3.930 4.120 0.008 0.000 0.252 461 V C 2.331 178.527 176.094 0.170 0.000 1.067 461 V CA 1.188 63.605 62.300 0.195 0.000 1.081 461 V CB -2.246 29.627 31.823 0.083 0.000 0.686 461 V HN -0.117 nan 8.190 nan 0.000 0.468 462 F N 1.939 121.874 119.950 -0.025 0.000 2.161 462 F HA -0.175 4.357 4.527 0.008 0.000 0.300 462 F C 2.375 178.283 175.800 0.181 0.000 1.089 462 F CA 2.219 60.216 58.000 -0.006 0.000 1.282 462 F CB -0.300 38.568 39.000 -0.219 0.000 1.010 462 F HN 0.300 nan 8.300 nan 0.000 0.485 463 H N -0.936 118.454 119.070 0.534 0.000 2.526 463 H HA 0.137 4.698 4.556 0.008 0.000 0.274 463 H C 0.161 175.729 175.328 0.400 0.000 0.999 463 H CA 0.195 56.513 56.048 0.450 0.000 1.157 463 H CB -0.160 29.854 29.762 0.420 0.000 1.407 463 H HN 0.260 nan 8.280 nan 0.000 0.568 464 Q N 1.834 121.905 119.800 0.452 0.000 2.348 464 Q HA 0.181 4.526 4.340 0.008 0.000 0.265 464 Q C -0.649 175.579 176.000 0.380 0.000 0.998 464 Q CA -0.489 55.534 55.803 0.366 0.000 0.831 464 Q CB 0.909 29.833 28.738 0.309 0.000 1.251 464 Q HN 0.205 nan 8.270 nan 0.000 0.456 465 E N 3.374 123.744 120.200 0.284 0.000 2.398 465 E HA 0.246 4.601 4.350 0.008 0.000 0.263 465 E C -0.504 176.226 176.600 0.216 0.000 1.046 465 E CA 0.411 56.934 56.400 0.206 0.000 0.908 465 E CB 0.764 30.561 29.700 0.162 0.000 0.963 465 E HN 0.598 nan 8.360 nan 0.000 0.431 466 M N 1.555 121.283 119.600 0.214 0.000 2.484 466 M HA 0.349 4.834 4.480 0.008 0.000 0.289 466 M C -1.295 175.116 176.300 0.185 0.000 1.206 466 M CA -0.958 54.480 55.300 0.231 0.000 0.892 466 M CB 2.376 35.170 32.600 0.324 0.000 1.712 466 M HN 0.155 nan 8.290 nan 0.000 0.462 467 V N 1.763 121.794 119.914 0.196 0.000 2.459 467 V HA 0.435 4.560 4.120 0.008 0.000 0.295 467 V C -0.561 175.663 176.094 0.218 0.000 1.029 467 V CA -0.691 61.755 62.300 0.243 0.000 0.874 467 V CB 1.634 33.655 31.823 0.330 0.000 0.985 467 V HN 0.886 nan 8.190 nan 0.000 0.438 468 N N 3.411 122.233 118.700 0.204 0.000 2.372 468 N HA 0.697 5.441 4.740 0.008 0.000 0.285 468 N C -1.713 173.902 175.510 0.176 0.000 1.008 468 N CA -0.413 52.672 53.050 0.059 0.000 0.880 468 N CB 1.818 40.341 38.487 0.059 0.000 1.239 468 N HN 0.742 nan 8.380 nan 0.000 0.484 469 Y N 0.806 121.122 120.300 0.027 0.000 2.677 469 Y HA 0.489 5.044 4.550 0.008 0.000 0.334 469 Y C -1.505 174.395 175.900 0.000 0.000 1.196 469 Y CA -1.139 56.971 58.100 0.017 0.000 1.059 469 Y CB 0.657 39.132 38.460 0.025 0.000 1.315 469 Y HN 0.187 nan 8.280 nan 0.000 0.455 470 I N 3.458 124.121 120.570 0.154 0.000 2.312 470 I HA 0.399 4.574 4.170 0.008 0.000 0.290 470 I C -0.692 175.489 176.117 0.107 0.000 1.008 470 I CA -0.339 60.993 61.300 0.054 0.000 1.226 470 I CB 0.861 38.879 38.000 0.030 0.000 1.371 470 I HN 0.429 nan 8.210 nan 0.000 0.468 471 L N 4.966 126.220 121.223 0.051 0.000 2.334 471 L HA 0.582 4.926 4.340 0.008 0.000 0.272 471 L C 0.096 176.966 176.870 0.001 0.000 1.020 471 L CA -0.538 54.338 54.840 0.059 0.000 0.812 471 L CB 1.972 44.066 42.059 0.057 0.000 1.264 471 L HN 0.507 nan 8.230 nan 0.000 0.439 472 S N 1.415 117.126 115.700 0.019 0.000 2.503 472 S HA 0.634 5.109 4.470 0.008 0.000 0.301 472 S C -2.588 172.031 174.600 0.032 0.000 1.087 472 S CA -1.498 56.701 58.200 -0.002 0.000 1.042 472 S CB 1.813 65.026 63.200 0.023 0.000 1.043 472 S HN 0.223 nan 8.310 nan 0.000 0.489 473 P HA 0.397 nan 4.420 nan 0.000 0.268 473 P C -1.366 175.808 177.300 -0.209 0.000 1.208 473 P CA -0.069 62.944 63.100 -0.144 0.000 0.777 473 P CB 0.578 32.150 31.700 -0.215 0.000 0.875 474 A N 1.792 124.449 122.820 -0.270 0.000 2.594 474 A HA 0.678 5.003 4.320 0.008 0.000 0.295 474 A C -1.445 175.918 177.584 -0.367 0.000 1.071 474 A CA -0.486 51.398 52.037 -0.255 0.000 0.685 474 A CB 0.754 19.678 19.000 -0.127 0.000 1.285 474 A HN 0.288 nan 8.150 nan 0.000 0.405 475 F N 1.123 120.992 119.950 -0.135 0.000 2.394 475 F HA 0.661 5.193 4.527 0.007 0.000 0.340 475 F C 1.080 176.780 175.800 -0.166 0.000 1.105 475 F CA 0.341 58.265 58.000 -0.127 0.000 1.124 475 F CB 1.471 40.370 39.000 -0.168 0.000 1.145 475 F HN 0.529 nan 8.300 nan 0.000 0.505 476 R N 1.656 122.187 120.500 0.053 0.000 2.795 476 R HA 0.432 4.777 4.340 0.008 0.000 0.275 476 R C -1.553 174.729 176.300 -0.031 0.000 0.981 476 R CA -1.232 54.822 56.100 -0.077 0.000 0.917 476 R CB 1.612 31.895 30.300 -0.028 0.000 1.202 476 R HN 0.376 nan 8.270 nan 0.000 0.469 477 Y N 1.695 122.019 120.300 0.040 0.000 2.457 477 Y HA 0.062 4.617 4.550 0.008 0.000 0.341 477 Y C 0.788 176.690 175.900 0.004 0.000 1.240 477 Y CA 0.003 58.116 58.100 0.022 0.000 1.437 477 Y CB 0.583 39.043 38.460 0.000 0.000 1.328 477 Y HN 0.449 nan 8.280 nan 0.000 0.588 478 Q N 1.719 121.614 119.800 0.158 0.000 2.456 478 Q HA 0.668 5.013 4.340 0.008 0.000 0.283 478 Q C -3.023 172.949 176.000 -0.047 0.000 1.084 478 Q CA -2.445 53.383 55.803 0.042 0.000 0.801 478 Q CB 1.748 30.502 28.738 0.026 0.000 1.434 478 Q HN 0.303 nan 8.270 nan 0.000 0.419 479 P HA 0.100 nan 4.420 nan 0.000 0.269 479 P C -0.924 176.168 177.300 -0.348 0.000 1.209 479 P CA -0.090 62.885 63.100 -0.209 0.000 0.776 479 P CB 0.364 31.947 31.700 -0.194 0.000 0.876 480 D N 3.377 123.445 120.400 -0.553 0.000 2.488 480 D HA -0.021 4.624 4.640 0.008 0.000 0.238 480 D C -1.169 174.511 176.300 -1.033 0.000 1.138 480 D CA -0.635 52.764 54.000 -1.003 0.000 0.873 480 D CB 0.284 40.047 40.800 -1.727 0.000 1.183 480 D HN 0.292 nan 8.370 nan 0.000 0.458 481 P HA -0.003 nan 4.420 nan 0.000 0.236 481 P C 0.249 177.135 177.300 -0.690 0.000 1.177 481 P CA 0.369 63.024 63.100 -0.742 0.000 0.773 481 P CB 0.083 31.321 31.700 -0.770 0.000 0.878 482 W N 0.000 120.828 121.300 -0.787 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.066 57.345 -0.464 0.000 1.226 482 W CB 0.000 29.227 29.460 -0.389 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535