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 1dm7_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL 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 RNLCDPHRYN 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 0.009 0.000 0.244 67 G C 0.000 174.827 174.900 -0.122 0.000 0.946 67 G CA 0.000 45.059 45.100 -0.069 0.000 0.502 68 P HA 0.209 nan 4.420 nan 0.000 0.264 68 P C -0.248 177.038 177.300 -0.023 0.000 1.173 68 P CA 0.300 63.273 63.100 -0.211 0.000 0.761 68 P CB 0.428 31.718 31.700 -0.683 0.000 0.794 69 K N 2.511 122.877 120.400 -0.057 0.000 3.041 69 K HA 0.229 4.554 4.320 0.009 0.000 0.243 69 K C -0.490 175.775 176.600 -0.557 0.000 1.167 69 K CA 0.021 56.136 56.287 -0.286 0.000 1.235 69 K CB -0.251 32.024 32.500 -0.374 0.000 1.205 69 K HN 0.366 nan 8.250 nan 0.000 0.448 70 F N 0.086 120.067 119.950 0.052 0.000 2.640 70 F HA 0.372 4.904 4.527 0.009 0.000 0.324 70 F C -2.238 173.654 175.800 0.153 0.000 1.077 70 F CA -3.154 54.892 58.000 0.077 0.000 0.965 70 F CB 0.257 39.303 39.000 0.075 0.000 1.351 70 F HN -0.124 nan 8.300 nan 0.000 0.487 71 P HA 0.090 nan 4.420 nan 0.000 0.264 71 P C -0.832 176.550 177.300 0.137 0.000 1.193 71 P CA -0.160 63.043 63.100 0.171 0.000 0.763 71 P CB 0.435 32.205 31.700 0.117 0.000 0.810 72 R N 3.233 123.751 120.500 0.030 0.000 2.234 72 R HA 0.383 4.728 4.340 0.009 0.000 0.324 72 R C -1.236 174.955 176.300 -0.183 0.000 1.054 72 R CA -0.479 55.458 56.100 -0.271 0.000 0.912 72 R CB 0.420 30.583 30.300 -0.228 0.000 1.030 72 R HN 0.216 nan 8.270 nan 0.000 0.455 73 V N 5.302 125.073 119.914 -0.237 0.000 2.417 73 V HA 0.352 4.477 4.120 0.009 0.000 0.291 73 V C -0.200 175.808 176.094 -0.143 0.000 1.024 73 V CA -0.697 61.540 62.300 -0.105 0.000 0.861 73 V CB 1.397 33.200 31.823 -0.034 0.000 0.985 73 V HN 0.753 nan 8.190 nan 0.000 0.436 74 K N 3.869 124.209 120.400 -0.101 0.000 2.259 74 K HA 0.462 4.787 4.320 0.009 0.000 0.249 74 K C -0.741 175.788 176.600 -0.119 0.000 0.942 74 K CA -0.742 55.418 56.287 -0.211 0.000 0.816 74 K CB 1.684 33.913 32.500 -0.453 0.000 1.155 74 K HN 0.695 nan 8.250 nan 0.000 0.428 75 N N 3.640 122.250 118.700 -0.150 0.000 2.417 75 N HA 0.139 4.884 4.740 0.009 0.000 0.274 75 N C -0.456 175.018 175.510 -0.060 0.000 0.987 75 N CA -0.418 52.652 53.050 0.033 0.000 0.912 75 N CB 0.582 39.106 38.487 0.062 0.000 1.177 75 N HN 0.681 nan 8.380 nan 0.000 0.490 76 W N 1.975 123.354 121.300 0.132 0.000 2.905 76 W HA 0.179 4.844 4.660 0.009 0.000 0.251 76 W C 2.031 178.593 176.519 0.071 0.000 1.305 76 W CA -0.150 57.261 57.345 0.110 0.000 1.465 76 W CB 0.302 29.852 29.460 0.150 0.000 1.122 76 W HN 0.668 nan 8.180 nan 0.000 0.659 77 E N 0.571 120.913 120.200 0.236 0.000 2.060 77 E HA -0.098 4.257 4.350 0.009 0.000 0.189 77 E C 1.691 178.322 176.600 0.051 0.000 0.974 77 E CA 0.999 57.443 56.400 0.073 0.000 0.808 77 E CB -0.221 29.501 29.700 0.037 0.000 0.768 77 E HN 0.242 nan 8.360 nan 0.000 0.453 78 L N -0.671 120.581 121.223 0.050 0.000 2.554 78 L HA 0.306 4.652 4.340 0.009 0.000 0.225 78 L C 1.562 178.419 176.870 -0.023 0.000 1.104 78 L CA 0.397 55.246 54.840 0.014 0.000 0.866 78 L CB 0.430 42.501 42.059 0.019 0.000 1.047 78 L HN 0.429 nan 8.230 nan 0.000 0.468 79 G N 0.536 109.299 108.800 -0.061 0.000 2.189 79 G HA2 -0.334 3.632 3.960 0.009 0.000 0.267 79 G HA3 -0.334 3.632 3.960 0.009 0.000 0.267 79 G C 0.458 175.268 174.900 -0.149 0.000 0.975 79 G CA 0.533 45.551 45.100 -0.136 0.000 0.644 79 G HN 0.486 nan 8.290 nan 0.000 0.537 80 S N -0.066 115.570 115.700 -0.108 0.000 2.603 80 S HA 0.760 5.236 4.470 0.009 0.000 0.268 80 S C 0.188 174.704 174.600 -0.140 0.000 1.317 80 S CA -0.548 57.595 58.200 -0.095 0.000 1.012 80 S CB 1.998 65.166 63.200 -0.052 0.000 0.926 80 S HN 0.427 nan 8.310 nan 0.000 0.539 81 I N 1.655 122.149 120.570 -0.127 0.000 2.689 81 I HA 0.608 4.784 4.170 0.009 0.000 0.299 81 I C 0.197 176.217 176.117 -0.161 0.000 1.059 81 I CA -0.200 60.990 61.300 -0.184 0.000 1.055 81 I CB 1.938 39.822 38.000 -0.195 0.000 1.243 81 I HN 1.096 nan 8.210 nan 0.000 0.425 82 T N 1.334 115.736 114.554 -0.253 0.000 2.816 82 T HA 0.688 5.043 4.350 0.009 0.000 0.299 82 T C -1.429 173.051 174.700 -0.367 0.000 1.230 82 T CA -0.726 61.274 62.100 -0.168 0.000 1.007 82 T CB 1.937 70.763 68.868 -0.069 0.000 1.289 82 T HN 0.259 nan 8.240 nan 0.000 0.508 83 Y N 0.072 120.357 120.300 -0.025 0.000 2.391 83 Y HA 0.535 5.091 4.550 0.009 0.000 0.341 83 Y C -0.247 175.617 175.900 -0.060 0.000 0.965 83 Y CA -0.936 57.156 58.100 -0.013 0.000 1.067 83 Y CB 1.859 40.313 38.460 -0.009 0.000 1.199 83 Y HN 0.728 nan 8.280 nan 0.000 0.450 84 D N 1.686 122.150 120.400 0.107 0.000 2.359 84 D HA 0.111 4.757 4.640 0.009 0.000 0.230 84 D C 0.671 176.952 176.300 -0.031 0.000 1.118 84 D CA 0.048 54.071 54.000 0.039 0.000 0.844 84 D CB 1.397 42.253 40.800 0.093 0.000 1.059 84 D HN 0.776 nan 8.370 nan 0.000 0.493 85 T N 1.123 115.538 114.554 -0.231 0.000 3.023 85 T HA -0.031 4.325 4.350 0.009 0.000 0.253 85 T C 1.739 176.354 174.700 -0.142 0.000 1.038 85 T CA -0.217 61.614 62.100 -0.448 0.000 0.962 85 T CB 0.056 68.351 68.868 -0.955 0.000 1.018 85 T HN 0.239 nan 8.240 nan 0.000 0.521 86 L N 2.375 123.542 121.223 -0.092 0.000 2.141 86 L HA 0.107 4.452 4.340 0.009 0.000 0.209 86 L C 2.610 179.403 176.870 -0.128 0.000 1.094 86 L CA 1.370 56.192 54.840 -0.030 0.000 0.763 86 L CB -0.967 41.140 42.059 0.080 0.000 0.908 86 L HN 0.672 nan 8.230 nan 0.000 0.437 87 C N -1.428 117.615 119.300 -0.428 0.000 2.422 87 C HA 0.094 4.559 4.460 0.009 0.000 0.286 87 C C 2.715 177.494 174.990 -0.351 0.000 1.412 87 C CA 0.145 58.582 59.018 -0.967 0.000 1.786 87 C CB -2.272 24.797 27.740 -1.117 0.000 1.835 87 C HN 0.568 nan 8.230 nan 0.000 0.533 88 A N 0.001 122.759 122.820 -0.102 0.000 2.119 88 A HA -0.046 4.279 4.320 0.009 0.000 0.217 88 A C 2.329 179.912 177.584 -0.002 0.000 1.153 88 A CA 1.127 53.167 52.037 0.005 0.000 0.692 88 A CB -0.417 18.672 19.000 0.148 0.000 0.799 88 A HN 0.708 nan 8.150 nan 0.000 0.458 89 Q N -0.095 119.698 119.800 -0.011 0.000 2.389 89 Q HA 0.039 4.385 4.340 0.009 0.000 0.204 89 Q C 0.810 176.838 176.000 0.047 0.000 0.944 89 Q CA 0.352 56.173 55.803 0.030 0.000 0.908 89 Q CB -0.261 28.507 28.738 0.049 0.000 1.002 89 Q HN 0.509 nan 8.270 nan 0.000 0.493 90 S N 1.577 117.295 115.700 0.030 0.000 2.555 90 S HA -0.041 4.434 4.470 0.009 0.000 0.293 90 S C 0.804 175.439 174.600 0.058 0.000 1.248 90 S CA 0.125 58.377 58.200 0.088 0.000 1.096 90 S CB 0.245 63.498 63.200 0.089 0.000 0.881 90 S HN 0.180 nan 8.310 nan 0.000 0.498 91 Q N 3.174 123.014 119.800 0.066 0.000 2.204 91 Q HA 0.228 4.573 4.340 0.009 0.000 0.209 91 Q C 0.039 176.067 176.000 0.046 0.000 0.861 91 Q CA 0.082 55.916 55.803 0.050 0.000 0.971 91 Q CB 0.505 29.275 28.738 0.054 0.000 1.095 91 Q HN 0.724 nan 8.270 nan 0.000 0.486 92 Q N 0.704 120.536 119.800 0.054 0.000 2.340 92 Q HA 0.190 4.536 4.340 0.009 0.000 0.276 92 Q C -1.489 174.542 176.000 0.052 0.000 1.048 92 Q CA -0.519 55.312 55.803 0.046 0.000 0.832 92 Q CB 1.994 30.756 28.738 0.040 0.000 1.373 92 Q HN 0.112 nan 8.270 nan 0.000 0.409 93 D N 1.132 121.556 120.400 0.041 0.000 2.354 93 D HA 0.399 5.045 4.640 0.009 0.000 0.247 93 D C 0.070 176.398 176.300 0.047 0.000 1.138 93 D CA -0.018 54.008 54.000 0.043 0.000 0.958 93 D CB 1.374 42.193 40.800 0.032 0.000 1.144 93 D HN 0.672 nan 8.370 nan 0.000 0.458 94 G N -0.380 108.451 108.800 0.052 0.000 2.971 94 G HA2 0.404 4.370 3.960 0.009 0.000 0.235 94 G HA3 0.404 4.370 3.960 0.009 0.000 0.235 94 G C -2.068 172.859 174.900 0.044 0.000 1.351 94 G CA -0.751 44.379 45.100 0.051 0.000 1.039 94 G HN 0.226 nan 8.290 nan 0.000 0.563 95 P HA 0.201 nan 4.420 nan 0.000 0.240 95 P C 0.324 177.647 177.300 0.038 0.000 1.190 95 P CA -0.096 63.029 63.100 0.042 0.000 0.781 95 P CB 0.219 31.947 31.700 0.047 0.000 0.931 96 C N 0.550 119.875 119.300 0.042 0.000 2.604 96 C HA 0.560 5.025 4.460 0.009 0.000 0.396 96 C C 0.870 175.878 174.990 0.030 0.000 1.282 96 C CA 0.330 59.370 59.018 0.037 0.000 2.292 96 C CB 0.037 27.803 27.740 0.044 0.000 2.633 96 C HN 0.314 nan 8.230 nan 0.000 0.620 97 T N -0.978 113.591 114.554 0.024 0.000 2.889 97 T HA 0.355 4.710 4.350 0.009 0.000 0.315 97 T C -2.439 172.270 174.700 0.015 0.000 1.291 97 T CA -1.066 61.045 62.100 0.018 0.000 1.028 97 T CB 1.428 70.305 68.868 0.015 0.000 1.235 97 T HN 0.251 nan 8.240 nan 0.000 0.491 98 P HA -0.094 nan 4.420 nan 0.000 0.219 98 P C 1.456 178.760 177.300 0.008 0.000 1.144 98 P CA 0.867 63.972 63.100 0.009 0.000 0.806 98 P CB 0.151 31.854 31.700 0.005 0.000 0.771 99 R N -0.382 120.123 120.500 0.008 0.000 2.062 99 R HA -0.035 4.310 4.340 0.009 0.000 0.226 99 R C 0.736 177.041 176.300 0.008 0.000 1.125 99 R CA 0.950 57.054 56.100 0.007 0.000 0.966 99 R CB 0.182 30.486 30.300 0.007 0.000 0.861 99 R HN 0.060 nan 8.270 nan 0.000 0.433 100 R N -0.318 120.188 120.500 0.011 0.000 2.643 100 R HA 0.200 4.545 4.340 0.009 0.000 0.269 100 R C -1.773 174.537 176.300 0.016 0.000 1.037 100 R CA -0.762 55.345 56.100 0.011 0.000 0.894 100 R CB 0.313 30.620 30.300 0.012 0.000 1.238 100 R HN 0.120 nan 8.270 nan 0.000 0.459 101 C N 4.104 123.413 119.300 0.016 0.000 2.265 101 C HA 0.524 4.989 4.460 0.009 0.000 0.332 101 C C 0.756 175.763 174.990 0.029 0.000 1.248 101 C CA -0.658 58.374 59.018 0.022 0.000 1.727 101 C CB -1.097 26.653 27.740 0.015 0.000 2.348 101 C HN 0.757 nan 8.230 nan 0.000 0.519 102 L N 5.850 127.096 121.223 0.039 0.000 3.062 102 L HA 0.287 4.632 4.340 0.009 0.000 0.255 102 L C 2.011 178.920 176.870 0.065 0.000 1.274 102 L CA 0.168 55.036 54.840 0.047 0.000 1.047 102 L CB -0.092 41.992 42.059 0.043 0.000 1.402 102 L HN 1.003 nan 8.230 nan 0.000 0.550 103 G N 0.026 108.867 108.800 0.069 0.000 2.559 103 G HA2 -0.204 3.762 3.960 0.009 0.000 0.216 103 G HA3 -0.204 3.762 3.960 0.009 0.000 0.216 103 G C 1.515 176.496 174.900 0.134 0.000 1.126 103 G CA 1.028 46.184 45.100 0.094 0.000 0.778 103 G HN 0.517 nan 8.290 nan 0.000 0.543 104 S N -0.537 115.237 115.700 0.124 0.000 2.524 104 S HA 0.291 4.766 4.470 0.009 0.000 0.216 104 S C 0.671 175.373 174.600 0.169 0.000 0.987 104 S CA -0.481 57.813 58.200 0.157 0.000 0.909 104 S CB 0.061 63.327 63.200 0.110 0.000 0.781 104 S HN -0.021 nan 8.310 nan 0.000 0.521 105 L N 2.617 123.919 121.223 0.133 0.000 2.499 105 L HA 0.171 4.516 4.340 0.009 0.000 0.273 105 L C 1.426 178.401 176.870 0.175 0.000 1.195 105 L CA 0.221 55.134 54.840 0.122 0.000 0.882 105 L CB 0.367 42.476 42.059 0.083 0.000 1.133 105 L HN 0.004 nan 8.230 nan 0.000 0.483 106 V N 4.076 124.102 119.914 0.186 0.000 2.379 106 V HA -0.107 4.018 4.120 0.009 0.000 0.245 106 V C 1.018 177.187 176.094 0.124 0.000 1.044 106 V CA 1.276 63.729 62.300 0.255 0.000 1.036 106 V CB -0.296 31.672 31.823 0.242 0.000 0.664 106 V HN 0.559 nan 8.190 nan 0.000 0.453 107 L N 2.602 123.850 121.223 0.041 0.000 2.637 107 L HA 0.367 4.712 4.340 0.009 0.000 0.241 107 L C -2.447 174.443 176.870 0.033 0.000 1.398 107 L CA -1.119 53.715 54.840 -0.011 0.000 0.895 107 L CB 0.919 42.899 42.059 -0.132 0.000 1.183 107 L HN 0.208 nan 8.230 nan 0.000 0.497 108 P HA 0.152 nan 4.420 nan 0.000 0.281 108 P C -0.377 176.953 177.300 0.050 0.000 1.252 108 P CA -0.536 62.596 63.100 0.052 0.000 0.778 108 P CB 0.977 32.712 31.700 0.059 0.000 0.895 109 R N 3.793 124.313 120.500 0.033 0.000 2.630 109 R HA 0.062 4.407 4.340 0.009 0.000 0.286 109 R C 0.747 177.067 176.300 0.032 0.000 1.391 109 R CA 0.324 56.442 56.100 0.029 0.000 1.027 109 R CB -0.154 30.156 30.300 0.016 0.000 1.099 109 R HN 0.499 nan 8.270 nan 0.000 0.525 110 K N 0.945 121.369 120.400 0.041 0.000 2.797 110 K HA 0.120 4.445 4.320 0.009 0.000 0.234 110 K C 1.725 178.345 176.600 0.033 0.000 1.805 110 K CA -0.025 56.283 56.287 0.035 0.000 1.052 110 K CB -0.502 32.021 32.500 0.039 0.000 2.129 110 K HN 0.079 nan 8.250 nan 0.000 0.412 111 L N 2.355 123.602 121.223 0.038 0.000 2.093 111 L HA 0.018 4.363 4.340 0.009 0.000 0.208 111 L C 0.882 177.772 176.870 0.032 0.000 1.085 111 L CA 0.884 55.739 54.840 0.024 0.000 0.755 111 L CB -0.983 41.080 42.059 0.005 0.000 0.904 111 L HN 0.294 nan 8.230 nan 0.000 0.435 112 Q N 1.469 121.305 119.800 0.060 0.000 3.953 112 Q HA -0.185 4.160 4.340 0.009 0.000 0.399 112 Q C 0.234 176.249 176.000 0.025 0.000 1.023 112 Q CA 0.788 56.626 55.803 0.057 0.000 1.305 112 Q CB -0.231 28.531 28.738 0.041 0.000 1.091 112 Q HN 0.470 nan 8.270 nan 0.000 0.491 113 T N 2.233 116.800 114.554 0.022 0.000 4.309 113 T HA 0.310 4.665 4.350 0.009 0.000 0.242 113 T C 0.232 174.924 174.700 -0.013 0.000 1.142 113 T CA -0.757 61.343 62.100 0.001 0.000 1.042 113 T CB -0.020 68.847 68.868 -0.001 0.000 1.366 113 T HN 0.426 nan 8.240 nan 0.000 0.942 114 R N 2.392 122.882 120.500 -0.016 0.000 2.697 114 R HA 0.183 4.528 4.340 0.009 0.000 0.265 114 R C -2.421 173.859 176.300 -0.033 0.000 1.009 114 R CA -1.474 54.608 56.100 -0.030 0.000 1.099 114 R CB -0.479 29.806 30.300 -0.025 0.000 0.965 114 R HN 0.264 nan 8.270 nan 0.000 0.428 115 P HA 0.004 nan 4.420 nan 0.000 0.258 115 P C -0.900 176.383 177.300 -0.028 0.000 1.187 115 P CA 0.519 63.596 63.100 -0.039 0.000 0.767 115 P CB 0.588 32.261 31.700 -0.046 0.000 0.770 116 S N 3.188 118.873 115.700 -0.026 0.000 2.438 116 S HA 0.312 4.787 4.470 0.009 0.000 0.227 116 S C -1.519 173.069 174.600 -0.019 0.000 1.265 116 S CA -1.201 56.987 58.200 -0.020 0.000 1.265 116 S CB -0.229 62.959 63.200 -0.020 0.000 0.987 116 S HN 0.163 nan 8.310 nan 0.000 0.502 117 P HA -0.168 nan 4.420 nan 0.000 0.222 117 P C 1.050 178.344 177.300 -0.011 0.000 1.147 117 P CA 1.853 64.945 63.100 -0.013 0.000 0.958 117 P CB -0.582 31.113 31.700 -0.010 0.000 0.788 118 G N 0.786 109.581 108.800 -0.008 0.000 2.254 118 G HA2 0.207 4.172 3.960 0.009 0.000 0.253 118 G HA3 0.207 4.172 3.960 0.009 0.000 0.253 118 G C -2.312 172.584 174.900 -0.007 0.000 1.246 118 G CA -0.567 44.530 45.100 -0.005 0.000 0.946 118 G HN 0.149 nan 8.290 nan 0.000 0.474 119 P HA -0.026 nan 4.420 nan 0.000 0.266 119 P C -1.732 175.564 177.300 -0.006 0.000 1.162 119 P CA -0.288 62.807 63.100 -0.008 0.000 0.758 119 P CB 0.129 31.827 31.700 -0.003 0.000 0.774 120 P HA 0.191 nan 4.420 nan 0.000 0.272 120 P C -2.499 174.804 177.300 0.004 0.000 1.230 120 P CA -1.516 61.582 63.100 -0.004 0.000 0.788 120 P CB -0.552 31.144 31.700 -0.007 0.000 0.949 121 P HA -0.007 nan 4.420 nan 0.000 0.257 121 P C 0.936 178.244 177.300 0.013 0.000 1.189 121 P CA 0.382 63.487 63.100 0.008 0.000 0.780 121 P CB -0.138 31.567 31.700 0.008 0.000 0.772 122 A N 3.995 126.823 122.820 0.013 0.000 2.042 122 A HA -0.271 4.055 4.320 0.009 0.000 0.222 122 A C 2.123 179.716 177.584 0.015 0.000 1.167 122 A CA 1.837 53.885 52.037 0.017 0.000 0.649 122 A CB -0.784 18.225 19.000 0.015 0.000 0.809 122 A HN 0.575 nan 8.150 nan 0.000 0.457 123 E N -1.250 118.957 120.200 0.011 0.000 2.072 123 E HA -0.232 4.123 4.350 0.009 0.000 0.190 123 E C 2.221 178.828 176.600 0.012 0.000 0.982 123 E CA 1.295 57.700 56.400 0.008 0.000 0.803 123 E CB -0.085 29.619 29.700 0.006 0.000 0.755 123 E HN 0.645 nan 8.360 nan 0.000 0.453 124 Q N 0.478 120.287 119.800 0.016 0.000 2.046 124 Q HA -0.136 4.209 4.340 0.009 0.000 0.200 124 Q C 2.078 178.097 176.000 0.031 0.000 0.975 124 Q CA 1.133 56.948 55.803 0.020 0.000 0.836 124 Q CB -0.373 28.375 28.738 0.017 0.000 0.896 124 Q HN 0.322 nan 8.270 nan 0.000 0.428 125 L N -0.248 120.997 121.223 0.037 0.000 2.127 125 L HA -0.131 4.214 4.340 0.009 0.000 0.211 125 L C 1.934 178.842 176.870 0.064 0.000 1.089 125 L CA 1.482 56.360 54.840 0.064 0.000 0.757 125 L CB -0.618 41.486 42.059 0.074 0.000 0.899 125 L HN 0.353 nan 8.230 nan 0.000 0.434 126 L N -0.617 120.622 121.223 0.027 0.000 1.994 126 L HA -0.179 4.167 4.340 0.009 0.000 0.208 126 L C 2.752 179.624 176.870 0.003 0.000 1.071 126 L CA 2.211 57.046 54.840 -0.008 0.000 0.745 126 L CB -1.217 40.834 42.059 -0.015 0.000 0.892 126 L HN 0.630 nan 8.230 nan 0.000 0.431 127 S N -1.441 114.270 115.700 0.019 0.000 2.399 127 S HA -0.241 4.234 4.470 0.009 0.000 0.231 127 S C 1.803 176.438 174.600 0.059 0.000 1.022 127 S CA 0.978 59.196 58.200 0.030 0.000 0.983 127 S CB -0.360 62.856 63.200 0.027 0.000 0.803 127 S HN 0.486 nan 8.310 nan 0.000 0.480 128 Q N 0.763 120.606 119.800 0.071 0.000 2.123 128 Q HA 0.142 4.488 4.340 0.009 0.000 0.199 128 Q C 2.500 178.599 176.000 0.165 0.000 0.966 128 Q CA 1.213 57.080 55.803 0.107 0.000 0.845 128 Q CB -0.380 28.414 28.738 0.093 0.000 0.907 128 Q HN 0.774 nan 8.270 nan 0.000 0.439 129 A N 0.681 123.582 122.820 0.135 0.000 1.930 129 A HA -0.113 4.212 4.320 0.009 0.000 0.215 129 A C 1.909 179.559 177.584 0.111 0.000 1.176 129 A CA 0.816 52.933 52.037 0.133 0.000 0.632 129 A CB -0.236 18.637 19.000 -0.210 0.000 0.819 129 A HN 0.172 nan 8.150 nan 0.000 0.445 130 R N -0.504 120.025 120.500 0.049 0.000 2.096 130 R HA -0.174 4.171 4.340 0.009 0.000 0.235 130 R C 1.909 178.277 176.300 0.112 0.000 1.127 130 R CA 1.714 57.844 56.100 0.050 0.000 0.968 130 R CB -0.339 29.969 30.300 0.013 0.000 0.861 130 R HN 0.711 nan 8.270 nan 0.000 0.440 131 D N -0.188 120.293 120.400 0.134 0.000 2.097 131 D HA -0.187 4.458 4.640 0.009 0.000 0.197 131 D C 1.640 178.064 176.300 0.206 0.000 0.984 131 D CA 0.871 54.962 54.000 0.152 0.000 0.826 131 D CB -0.054 40.831 40.800 0.142 0.000 0.973 131 D HN 0.111 nan 8.370 nan 0.000 0.460 132 F N 1.005 121.049 119.950 0.157 0.000 2.102 132 F HA -0.113 4.418 4.527 0.008 0.000 0.298 132 F C 1.918 177.876 175.800 0.262 0.000 1.105 132 F CA 1.112 59.243 58.000 0.220 0.000 1.239 132 F CB -0.283 38.853 39.000 0.226 0.000 0.991 132 F HN -0.003 nan 8.300 nan 0.000 0.474 133 I N 0.979 121.568 120.570 0.032 0.000 2.264 133 I HA -0.314 3.861 4.170 0.009 0.000 0.248 133 I C 1.943 178.104 176.117 0.073 0.000 1.111 133 I CA 1.233 62.555 61.300 0.037 0.000 1.382 133 I CB -1.622 36.509 38.000 0.218 0.000 1.060 133 I HN 0.257 nan 8.210 nan 0.000 0.418 134 N N 0.922 119.690 118.700 0.114 0.000 2.142 134 N HA -0.174 4.572 4.740 0.009 0.000 0.186 134 N C 1.836 177.293 175.510 -0.089 0.000 1.023 134 N CA 1.038 54.138 53.050 0.083 0.000 0.852 134 N CB -0.317 38.261 38.487 0.151 0.000 0.998 134 N HN 0.508 nan 8.380 nan 0.000 0.424 135 Q N -0.688 119.066 119.800 -0.077 0.000 2.124 135 Q HA -0.164 4.182 4.340 0.009 0.000 0.202 135 Q C 1.666 177.421 176.000 -0.409 0.000 0.977 135 Q CA 1.108 56.867 55.803 -0.072 0.000 0.850 135 Q CB -0.207 28.633 28.738 0.171 0.000 0.901 135 Q HN 0.461 nan 8.270 nan 0.000 0.429 136 Y N -0.025 119.816 120.300 -0.765 0.000 2.133 136 Y HA -0.271 4.284 4.550 0.007 0.000 0.287 136 Y C 1.685 177.052 175.900 -0.888 0.000 1.134 136 Y CA 1.494 58.883 58.100 -1.186 0.000 1.133 136 Y CB -0.433 37.427 38.460 -1.000 0.000 0.987 136 Y HN 0.043 nan 8.280 nan 0.000 0.502 137 Y N -0.686 119.154 120.300 -0.766 0.000 2.293 137 Y HA -0.194 4.362 4.550 0.010 0.000 0.291 137 Y C 3.073 178.620 175.900 -0.587 0.000 1.137 137 Y CA 1.716 59.365 58.100 -0.751 0.000 1.202 137 Y CB -0.839 37.082 38.460 -0.897 0.000 0.990 137 Y HN 0.205 nan 8.280 nan 0.000 0.537 138 S N -0.442 115.032 115.700 -0.376 0.000 2.356 138 S HA -0.233 4.242 4.470 0.009 0.000 0.223 138 S C 2.431 176.855 174.600 -0.293 0.000 1.032 138 S CA 1.719 59.772 58.200 -0.245 0.000 1.005 138 S CB -0.741 62.366 63.200 -0.156 0.000 0.867 138 S HN 0.614 nan 8.310 nan 0.000 0.449 139 S N 1.910 117.346 115.700 -0.440 0.000 2.400 139 S HA -0.097 4.378 4.470 0.009 0.000 0.232 139 S C 1.645 176.002 174.600 -0.404 0.000 1.025 139 S CA 1.269 59.233 58.200 -0.393 0.000 0.993 139 S CB -0.993 61.847 63.200 -0.600 0.000 0.808 139 S HN 0.808 nan 8.310 nan 0.000 0.478 140 I N -2.966 117.253 120.570 -0.586 0.000 3.855 140 I HA 0.401 4.576 4.170 0.009 0.000 0.327 140 I C -0.427 175.516 176.117 -0.290 0.000 1.359 140 I CA -0.622 60.404 61.300 -0.458 0.000 1.142 140 I CB -0.194 37.425 38.000 -0.636 0.000 1.041 140 I HN -0.139 nan 8.210 nan 0.000 0.403 141 K N 2.475 122.733 120.400 -0.237 0.000 3.419 141 K HA -0.161 4.164 4.320 0.009 0.000 0.272 141 K C -0.059 176.480 176.600 -0.101 0.000 0.973 141 K CA 0.437 56.640 56.287 -0.140 0.000 0.749 141 K CB -1.302 31.138 32.500 -0.101 0.000 1.403 141 K HN 0.597 nan 8.250 nan 0.000 0.456 142 R N -1.035 119.411 120.500 -0.091 0.000 2.544 142 R HA 0.060 4.405 4.340 0.009 0.000 0.426 142 R C 0.127 176.462 176.300 0.057 0.000 0.943 142 R CA -0.260 55.846 56.100 0.011 0.000 1.162 142 R CB 0.728 31.075 30.300 0.077 0.000 1.588 142 R HN 0.225 nan 8.270 nan 0.000 0.563 143 S N -0.008 115.691 115.700 -0.002 0.000 2.546 143 S HA 0.248 4.723 4.470 0.009 0.000 0.290 143 S C 1.376 176.064 174.600 0.148 0.000 1.290 143 S CA 1.670 59.905 58.200 0.058 0.000 1.069 143 S CB 0.316 63.527 63.200 0.018 0.000 0.846 143 S HN 0.714 nan 8.310 nan 0.000 0.495 144 G N 3.074 112.059 108.800 0.308 0.000 2.179 144 G HA2 -0.296 3.669 3.960 0.009 0.000 0.260 144 G HA3 -0.296 3.669 3.960 0.009 0.000 0.260 144 G C 0.317 175.234 174.900 0.029 0.000 0.977 144 G CA 0.566 45.717 45.100 0.083 0.000 0.641 144 G HN 1.674 nan 8.290 nan 0.000 0.533 145 S N -0.739 114.998 115.700 0.062 0.000 2.617 145 S HA 0.419 4.894 4.470 0.009 0.000 0.259 145 S C 1.323 175.910 174.600 -0.022 0.000 1.301 145 S CA 0.752 58.967 58.200 0.025 0.000 0.984 145 S CB 1.311 64.549 63.200 0.063 0.000 0.954 145 S HN 0.560 nan 8.310 nan 0.000 0.572 146 Q N 0.270 120.061 119.800 -0.015 0.000 2.123 146 Q HA -0.038 4.307 4.340 0.009 0.000 0.199 146 Q C 2.183 178.157 176.000 -0.044 0.000 0.966 146 Q CA 1.173 56.956 55.803 -0.033 0.000 0.845 146 Q CB -0.677 28.053 28.738 -0.013 0.000 0.907 146 Q HN 0.920 nan 8.270 nan 0.000 0.439 147 A N 0.115 122.932 122.820 -0.005 0.000 1.933 147 A HA -0.231 4.095 4.320 0.009 0.000 0.218 147 A C 1.845 179.307 177.584 -0.204 0.000 1.175 147 A CA 1.606 53.658 52.037 0.025 0.000 0.628 147 A CB -0.939 18.182 19.000 0.202 0.000 0.814 147 A HN 0.683 nan 8.150 nan 0.000 0.444 148 H N -0.876 117.813 119.070 -0.635 0.000 2.293 148 H HA -0.108 4.454 4.556 0.009 0.000 0.300 148 H C 1.998 176.996 175.328 -0.549 0.000 1.082 148 H CA 1.215 56.552 56.048 -1.186 0.000 1.308 148 H CB 0.140 29.410 29.762 -0.821 0.000 1.375 148 H HN 0.398 nan 8.280 nan 0.000 0.495 149 E N 0.752 120.757 120.200 -0.325 0.000 2.077 149 E HA -0.159 4.197 4.350 0.009 0.000 0.193 149 E C 2.140 178.639 176.600 -0.168 0.000 0.989 149 E CA 1.012 57.244 56.400 -0.281 0.000 0.800 149 E CB -0.129 29.451 29.700 -0.200 0.000 0.746 149 E HN 0.680 nan 8.360 nan 0.000 0.452 150 E N 0.431 120.562 120.200 -0.116 0.000 2.051 150 E HA -0.211 4.145 4.350 0.009 0.000 0.192 150 E C 2.202 178.781 176.600 -0.034 0.000 0.991 150 E CA 0.985 57.352 56.400 -0.055 0.000 0.799 150 E CB -0.134 29.554 29.700 -0.019 0.000 0.748 150 E HN -0.069 nan 8.360 nan 0.000 0.449 151 R N 1.376 121.858 120.500 -0.030 0.000 2.120 151 R HA -0.098 4.248 4.340 0.009 0.000 0.234 151 R C 2.071 178.375 176.300 0.008 0.000 1.123 151 R CA 1.102 57.229 56.100 0.046 0.000 0.975 151 R CB -0.576 29.820 30.300 0.160 0.000 0.866 151 R HN 0.182 nan 8.270 nan 0.000 0.446 152 L N -0.012 121.173 121.223 -0.063 0.000 1.994 152 L HA -0.207 4.139 4.340 0.009 0.000 0.208 152 L C 2.475 179.299 176.870 -0.076 0.000 1.071 152 L CA 1.824 56.614 54.840 -0.084 0.000 0.745 152 L CB -0.461 41.494 42.059 -0.174 0.000 0.892 152 L HN 0.315 nan 8.230 nan 0.000 0.431 153 Q N -0.504 119.253 119.800 -0.071 0.000 2.124 153 Q HA -0.258 4.087 4.340 0.009 0.000 0.202 153 Q C 2.048 178.030 176.000 -0.029 0.000 0.977 153 Q CA 1.440 57.213 55.803 -0.051 0.000 0.850 153 Q CB -0.153 28.558 28.738 -0.044 0.000 0.901 153 Q HN 0.477 nan 8.270 nan 0.000 0.429 154 E N 0.393 120.586 120.200 -0.013 0.000 2.051 154 E HA -0.184 4.171 4.350 0.009 0.000 0.192 154 E C 1.973 178.579 176.600 0.009 0.000 0.991 154 E CA 1.238 57.648 56.400 0.016 0.000 0.799 154 E CB 0.181 29.908 29.700 0.045 0.000 0.748 154 E HN 0.160 nan 8.360 nan 0.000 0.449 155 V N 1.038 120.928 119.914 -0.039 0.000 2.307 155 V HA -0.243 3.882 4.120 0.009 0.000 0.245 155 V C 2.067 178.084 176.094 -0.129 0.000 1.045 155 V CA 2.086 64.298 62.300 -0.146 0.000 1.024 155 V CB -0.491 31.128 31.823 -0.340 0.000 0.651 155 V HN 0.269 nan 8.190 nan 0.000 0.449 156 E N 0.235 120.377 120.200 -0.097 0.000 2.058 156 E HA -0.220 4.135 4.350 0.009 0.000 0.194 156 E C 2.333 178.918 176.600 -0.024 0.000 0.997 156 E CA 1.478 57.840 56.400 -0.064 0.000 0.801 156 E CB -0.429 29.238 29.700 -0.054 0.000 0.746 156 E HN 0.588 nan 8.360 nan 0.000 0.450 157 A N 1.249 124.062 122.820 -0.011 0.000 1.865 157 A HA -0.317 4.008 4.320 0.009 0.000 0.217 157 A C 2.100 179.703 177.584 0.031 0.000 1.191 157 A CA 1.955 53.998 52.037 0.010 0.000 0.623 157 A CB -0.681 18.328 19.000 0.015 0.000 0.826 157 A HN 0.298 nan 8.150 nan 0.000 0.444 158 E N -0.540 119.690 120.200 0.050 0.000 2.160 158 E HA -0.139 4.216 4.350 0.009 0.000 0.195 158 E C 1.749 178.404 176.600 0.091 0.000 0.991 158 E CA 1.373 57.828 56.400 0.092 0.000 0.810 158 E CB -0.093 29.700 29.700 0.154 0.000 0.742 158 E HN 0.360 nan 8.360 nan 0.000 0.466 159 V N 0.585 120.538 119.914 0.065 0.000 2.591 159 V HA -0.131 3.994 4.120 0.009 0.000 0.249 159 V C 2.278 178.396 176.094 0.040 0.000 1.053 159 V CA 1.306 63.645 62.300 0.064 0.000 1.068 159 V CB -0.331 31.516 31.823 0.040 0.000 0.689 159 V HN 0.394 nan 8.190 nan 0.000 0.462 160 A N 1.146 123.982 122.820 0.027 0.000 1.865 160 A HA -0.222 4.103 4.320 0.009 0.000 0.217 160 A C 2.529 180.129 177.584 0.027 0.000 1.191 160 A CA 2.592 54.641 52.037 0.020 0.000 0.623 160 A CB -0.753 18.255 19.000 0.013 0.000 0.826 160 A HN 0.660 nan 8.150 nan 0.000 0.444 161 S N -1.378 114.343 115.700 0.034 0.000 2.425 161 S HA -0.070 4.405 4.470 0.009 0.000 0.225 161 S C 1.734 176.359 174.600 0.043 0.000 1.024 161 S CA 1.574 59.796 58.200 0.036 0.000 0.951 161 S CB -0.692 62.531 63.200 0.038 0.000 0.796 161 S HN 0.814 nan 8.310 nan 0.000 0.498 162 T N -3.369 111.218 114.554 0.055 0.000 3.001 162 T HA 0.526 4.881 4.350 0.009 0.000 0.251 162 T C 1.650 176.378 174.700 0.046 0.000 1.040 162 T CA 0.850 62.986 62.100 0.059 0.000 0.985 162 T CB 0.068 68.988 68.868 0.087 0.000 1.011 162 T HN 1.103 nan 8.240 nan 0.000 0.509 163 G N 0.342 109.169 108.800 0.045 0.000 2.225 163 G HA2 -0.237 3.729 3.960 0.009 0.000 0.254 163 G HA3 -0.237 3.729 3.960 0.009 0.000 0.254 163 G C 0.267 175.191 174.900 0.040 0.000 0.988 163 G CA 0.708 45.830 45.100 0.035 0.000 0.625 163 G HN 0.987 nan 8.290 nan 0.000 0.527 164 T N -1.383 113.197 114.554 0.045 0.000 2.591 164 T HA 0.774 5.129 4.350 0.009 0.000 0.274 164 T C -1.008 173.755 174.700 0.106 0.000 0.945 164 T CA 0.544 62.656 62.100 0.020 0.000 1.087 164 T CB 1.487 70.285 68.868 -0.117 0.000 1.416 164 T HN 1.623 nan 8.240 nan 0.000 0.514 165 Y N -1.098 119.062 120.300 -0.232 0.000 2.779 165 Y HA 0.746 5.301 4.550 0.008 0.000 0.340 165 Y C -1.776 173.858 175.900 -0.444 0.000 1.252 165 Y CA -1.226 56.758 58.100 -0.193 0.000 1.072 165 Y CB 0.593 39.031 38.460 -0.036 0.000 1.343 165 Y HN 0.805 nan 8.280 nan 0.000 0.450 166 H N 0.708 119.823 119.070 0.074 0.000 2.797 166 H HA 0.720 5.282 4.556 0.009 0.000 0.372 166 H C -1.103 174.293 175.328 0.113 0.000 1.168 166 H CA -0.920 55.111 56.048 -0.030 0.000 1.163 166 H CB 2.060 31.838 29.762 0.027 0.000 1.778 166 H HN 0.706 nan 8.280 nan 0.000 0.551 167 L N 1.887 123.216 121.223 0.177 0.000 2.325 167 L HA 0.495 4.840 4.340 0.009 0.000 0.279 167 L C 0.458 177.405 176.870 0.129 0.000 1.054 167 L CA -0.788 54.162 54.840 0.183 0.000 0.804 167 L CB 1.059 43.193 42.059 0.126 0.000 1.200 167 L HN 0.417 nan 8.230 nan 0.000 0.436 168 R N 1.143 121.695 120.500 0.087 0.000 2.615 168 R HA 0.038 4.383 4.340 0.009 0.000 0.270 168 R C 1.039 177.336 176.300 -0.005 0.000 1.081 168 R CA -0.399 55.719 56.100 0.031 0.000 1.154 168 R CB 0.893 31.189 30.300 -0.006 0.000 1.063 168 R HN 0.679 nan 8.270 nan 0.000 0.519 169 E N 1.234 121.429 120.200 -0.008 0.000 2.055 169 E HA -0.308 4.048 4.350 0.009 0.000 0.209 169 E C 1.650 178.236 176.600 -0.023 0.000 1.036 169 E CA 2.634 59.022 56.400 -0.020 0.000 0.849 169 E CB -0.037 29.654 29.700 -0.015 0.000 0.767 169 E HN 0.699 nan 8.360 nan 0.000 0.461 170 S N 0.304 115.992 115.700 -0.019 0.000 2.402 170 S HA -0.232 4.243 4.470 0.009 0.000 0.233 170 S C 1.716 176.324 174.600 0.013 0.000 1.030 170 S CA 1.611 59.824 58.200 0.021 0.000 1.003 170 S CB -0.495 62.744 63.200 0.064 0.000 0.813 170 S HN 0.384 nan 8.310 nan 0.000 0.477 171 E N 0.884 120.981 120.200 -0.173 0.000 2.106 171 E HA -0.037 4.318 4.350 0.009 0.000 0.192 171 E C 2.067 178.811 176.600 0.239 0.000 0.984 171 E CA 1.027 57.364 56.400 -0.105 0.000 0.806 171 E CB -0.351 29.278 29.700 -0.118 0.000 0.750 171 E HN 0.469 nan 8.360 nan 0.000 0.458 172 L N 1.080 122.339 121.223 0.061 0.000 2.046 172 L HA -0.147 4.198 4.340 0.009 0.000 0.208 172 L C 2.238 179.087 176.870 -0.036 0.000 1.077 172 L CA 1.358 56.166 54.840 -0.055 0.000 0.747 172 L CB -0.311 41.660 42.059 -0.148 0.000 0.896 172 L HN -0.081 nan 8.230 nan 0.000 0.432 173 V N -0.372 119.554 119.914 0.020 0.000 2.343 173 V HA -0.311 3.815 4.120 0.009 0.000 0.247 173 V C 2.358 178.533 176.094 0.135 0.000 1.051 173 V CA 2.123 64.445 62.300 0.036 0.000 1.036 173 V CB -0.987 30.863 31.823 0.044 0.000 0.654 173 V HN 0.585 nan 8.190 nan 0.000 0.451 174 F N 2.146 122.177 119.950 0.136 0.000 2.171 174 F HA -0.039 4.493 4.527 0.007 0.000 0.300 174 F C 2.092 178.037 175.800 0.243 0.000 1.090 174 F CA 1.698 59.835 58.000 0.229 0.000 1.293 174 F CB -0.812 38.400 39.000 0.353 0.000 1.013 174 F HN 0.115 nan 8.300 nan 0.000 0.486 175 G N -0.402 108.404 108.800 0.010 0.000 2.408 175 G HA2 -0.077 3.888 3.960 0.009 0.000 0.215 175 G HA3 -0.077 3.888 3.960 0.009 0.000 0.215 175 G C 1.822 176.564 174.900 -0.264 0.000 1.156 175 G CA 0.601 45.594 45.100 -0.178 0.000 0.793 175 G HN 0.614 nan 8.290 nan 0.000 0.535 176 A N 1.159 123.865 122.820 -0.191 0.000 1.883 176 A HA -0.035 4.291 4.320 0.009 0.000 0.217 176 A C 2.292 179.858 177.584 -0.031 0.000 1.186 176 A CA 2.001 53.937 52.037 -0.168 0.000 0.624 176 A CB -0.370 18.565 19.000 -0.109 0.000 0.822 176 A HN 0.367 nan 8.150 nan 0.000 0.444 177 K N -0.851 119.571 120.400 0.037 0.000 2.057 177 K HA -0.131 4.194 4.320 0.009 0.000 0.207 177 K C 2.325 178.967 176.600 0.071 0.000 1.049 177 K CA 1.302 57.719 56.287 0.217 0.000 0.931 177 K CB -0.147 32.540 32.500 0.312 0.000 0.714 177 K HN 0.370 nan 8.250 nan 0.000 0.440 178 Q N 0.300 119.960 119.800 -0.233 0.000 2.084 178 Q HA -0.106 4.240 4.340 0.009 0.000 0.202 178 Q C 2.211 178.067 176.000 -0.240 0.000 0.978 178 Q CA 1.631 57.212 55.803 -0.370 0.000 0.844 178 Q CB -0.352 28.066 28.738 -0.534 0.000 0.898 178 Q HN 0.338 nan 8.270 nan 0.000 0.426 179 A N 0.230 122.910 122.820 -0.233 0.000 1.883 179 A HA -0.196 4.129 4.320 0.009 0.000 0.217 179 A C 1.841 179.480 177.584 0.092 0.000 1.186 179 A CA 1.519 53.385 52.037 -0.285 0.000 0.624 179 A CB -1.013 17.479 19.000 -0.848 0.000 0.822 179 A HN 0.544 nan 8.150 nan 0.000 0.444 180 W N 0.869 122.208 121.300 0.065 0.000 2.379 180 W HA -0.122 4.542 4.660 0.007 0.000 0.307 180 W C 2.363 178.851 176.519 -0.052 0.000 1.200 180 W CA 1.528 58.929 57.345 0.094 0.000 1.297 180 W CB -0.801 28.698 29.460 0.065 0.000 1.140 180 W HN 0.372 nan 8.180 nan 0.000 0.507 181 R N 0.320 120.759 120.500 -0.102 0.000 2.117 181 R HA -0.221 4.124 4.340 0.009 0.000 0.243 181 R C 1.630 177.765 176.300 -0.276 0.000 1.143 181 R CA 2.012 57.829 56.100 -0.471 0.000 0.968 181 R CB -0.586 29.162 30.300 -0.921 0.000 0.863 181 R HN 0.108 nan 8.270 nan 0.000 0.444 182 N N 0.210 118.805 118.700 -0.174 0.000 2.467 182 N HA 0.022 4.767 4.740 0.009 0.000 0.184 182 N C -0.343 175.117 175.510 -0.083 0.000 1.106 182 N CA 0.701 53.670 53.050 -0.135 0.000 0.892 182 N CB 0.280 38.690 38.487 -0.128 0.000 0.969 182 N HN 0.195 nan 8.380 nan 0.000 0.454 183 A N 2.011 124.831 122.820 0.001 0.000 2.496 183 A HA 0.184 4.509 4.320 0.009 0.000 0.278 183 A C -1.243 176.314 177.584 -0.046 0.000 1.137 183 A CA -0.812 51.224 52.037 -0.002 0.000 0.805 183 A CB 0.272 19.314 19.000 0.070 0.000 1.077 183 A HN 0.032 nan 8.150 nan 0.000 0.513 184 P HA -0.088 nan 4.420 nan 0.000 0.223 184 P C 1.058 178.297 177.300 -0.101 0.000 1.151 184 P CA 1.086 64.119 63.100 -0.112 0.000 0.787 184 P CB 0.180 31.783 31.700 -0.162 0.000 0.788 185 R N -2.134 118.270 120.500 -0.160 0.000 2.334 185 R HA 0.161 4.506 4.340 0.009 0.000 0.216 185 R C 0.266 176.554 176.300 -0.019 0.000 0.905 185 R CA -0.116 55.904 56.100 -0.133 0.000 1.064 185 R CB -0.384 29.651 30.300 -0.441 0.000 1.046 185 R HN 0.168 nan 8.270 nan 0.000 0.508 186 C N 0.802 120.087 119.300 -0.026 0.000 2.303 186 C HA 0.222 4.688 4.460 0.009 0.000 0.341 186 C C 1.865 176.819 174.990 -0.060 0.000 1.244 186 C CA -0.618 58.413 59.018 0.021 0.000 1.765 186 C CB 0.547 28.369 27.740 0.137 0.000 2.379 186 C HN 0.279 nan 8.230 nan 0.000 0.530 187 V N 6.000 125.833 119.914 -0.135 0.000 3.541 187 V HA 0.222 4.347 4.120 0.009 0.000 0.267 187 V C 1.728 177.852 176.094 0.051 0.000 1.213 187 V CA 1.965 64.076 62.300 -0.315 0.000 1.149 187 V CB -0.080 31.565 31.823 -0.297 0.000 0.822 187 V HN 1.072 nan 8.190 nan 0.000 0.462 188 G N -0.633 108.228 108.800 0.101 0.000 3.523 188 G HA2 0.073 4.038 3.960 0.009 0.000 0.270 188 G HA3 0.073 4.038 3.960 0.009 0.000 0.270 188 G C 1.160 176.100 174.900 0.067 0.000 1.134 188 G CA -0.372 44.806 45.100 0.131 0.000 0.825 188 G HN 0.423 nan 8.290 nan 0.000 0.534 189 R N -0.133 120.322 120.500 -0.075 0.000 2.377 189 R HA 0.112 4.458 4.340 0.009 0.000 0.207 189 R C 1.936 177.818 176.300 -0.696 0.000 1.075 189 R CA 0.167 55.930 56.100 -0.562 0.000 1.035 189 R CB -0.138 29.798 30.300 -0.607 0.000 0.857 189 R HN 0.456 nan 8.270 nan 0.000 0.475 190 I N 0.753 121.098 120.570 -0.377 0.000 2.756 190 I HA -0.217 3.958 4.170 0.009 0.000 0.262 190 I C 1.192 177.236 176.117 -0.122 0.000 1.225 190 I CA 1.170 62.413 61.300 -0.095 0.000 1.472 190 I CB 0.186 38.222 38.000 0.060 0.000 1.094 190 I HN 0.190 nan 8.210 nan 0.000 0.454 191 Q N 0.573 120.242 119.800 -0.218 0.000 2.360 191 Q HA -0.092 4.253 4.340 0.009 0.000 0.202 191 Q C 1.596 177.208 176.000 -0.647 0.000 0.915 191 Q CA 0.293 55.965 55.803 -0.219 0.000 0.943 191 Q CB -0.190 28.580 28.738 0.052 0.000 1.064 191 Q HN 0.779 nan 8.270 nan 0.000 0.511 192 W N 0.165 120.788 121.300 -1.127 0.000 2.308 192 W HA -0.150 4.517 4.660 0.012 0.000 0.301 192 W C 1.114 177.333 176.519 -0.500 0.000 1.220 192 W CA 1.288 57.812 57.345 -1.368 0.000 1.240 192 W CB -1.203 27.664 29.460 -0.989 0.000 1.142 192 W HN 0.098 nan 8.180 nan 0.000 0.521 193 G N 1.091 109.167 108.800 -1.208 0.000 2.848 193 G HA2 -0.144 3.822 3.960 0.009 0.000 0.208 193 G HA3 -0.144 3.822 3.960 0.009 0.000 0.208 193 G C 0.817 175.492 174.900 -0.375 0.000 1.152 193 G CA -0.075 44.413 45.100 -1.019 0.000 0.789 193 G HN 0.260 nan 8.290 nan 0.000 0.531 194 K N 0.294 120.577 120.400 -0.194 0.000 2.533 194 K HA 0.483 4.809 4.320 0.009 0.000 0.207 194 K C -1.505 175.213 176.600 0.198 0.000 1.052 194 K CA -0.668 55.622 56.287 0.005 0.000 1.030 194 K CB 0.269 32.789 32.500 0.034 0.000 1.522 194 K HN 0.085 nan 8.250 nan 0.000 0.543 195 L N 2.362 123.691 121.223 0.175 0.000 2.385 195 L HA 0.408 4.753 4.340 0.009 0.000 0.273 195 L C -1.225 175.652 176.870 0.012 0.000 0.990 195 L CA -0.401 54.556 54.840 0.195 0.000 0.821 195 L CB 1.925 44.176 42.059 0.321 0.000 1.279 195 L HN 0.356 nan 8.230 nan 0.000 0.412 196 Q N 3.296 123.049 119.800 -0.079 0.000 2.322 196 Q HA 0.490 4.835 4.340 0.009 0.000 0.256 196 Q C -1.594 174.098 176.000 -0.513 0.000 0.960 196 Q CA -0.183 55.415 55.803 -0.341 0.000 0.934 196 Q CB 1.249 29.729 28.738 -0.429 0.000 1.200 196 Q HN 0.528 nan 8.270 nan 0.000 0.435 197 V N 6.451 126.074 119.914 -0.485 0.000 2.318 197 V HA 0.343 4.469 4.120 0.009 0.000 0.271 197 V C -0.624 175.167 176.094 -0.505 0.000 1.030 197 V CA -0.504 61.558 62.300 -0.397 0.000 0.844 197 V CB -0.081 31.612 31.823 -0.217 0.000 1.015 197 V HN 0.635 nan 8.190 nan 0.000 0.460 198 F N 2.795 122.591 119.950 -0.256 0.000 2.424 198 F HA 0.334 4.864 4.527 0.004 0.000 0.356 198 F C 0.678 176.274 175.800 -0.340 0.000 1.110 198 F CA -0.801 57.030 58.000 -0.282 0.000 1.161 198 F CB 0.767 39.592 39.000 -0.291 0.000 1.115 198 F HN 0.397 nan 8.300 nan 0.000 0.507 199 D N 3.357 123.688 120.400 -0.116 0.000 2.365 199 D HA 0.390 5.035 4.640 0.009 0.000 0.237 199 D C -0.029 176.066 176.300 -0.342 0.000 1.190 199 D CA 0.062 53.929 54.000 -0.220 0.000 0.867 199 D CB 1.095 41.814 40.800 -0.136 0.000 1.050 199 D HN 0.612 nan 8.370 nan 0.000 0.491 200 A N 4.622 127.073 122.820 -0.614 0.000 2.701 200 A HA 0.171 4.497 4.320 0.009 0.000 0.297 200 A C 1.471 178.762 177.584 -0.488 0.000 1.197 200 A CA -0.416 51.046 52.037 -0.957 0.000 0.963 200 A CB 0.037 17.841 19.000 -1.992 0.000 1.175 200 A HN 0.528 nan 8.150 nan 0.000 0.531 201 R N 0.536 120.876 120.500 -0.265 0.000 2.339 201 R HA -0.073 4.272 4.340 0.009 0.000 0.199 201 R C 0.759 177.026 176.300 -0.055 0.000 1.018 201 R CA 1.177 57.206 56.100 -0.120 0.000 1.036 201 R CB 0.112 30.394 30.300 -0.030 0.000 0.899 201 R HN 0.703 nan 8.270 nan 0.000 0.473 202 D N -0.687 119.698 120.400 -0.024 0.000 2.346 202 D HA -0.072 4.574 4.640 0.009 0.000 0.206 202 D C 0.594 176.965 176.300 0.119 0.000 1.001 202 D CA -0.226 53.809 54.000 0.057 0.000 0.871 202 D CB -0.654 40.198 40.800 0.087 0.000 0.943 202 D HN -0.026 nan 8.370 nan 0.000 0.518 203 C N 1.990 121.371 119.300 0.135 0.000 2.502 203 C HA 0.221 4.687 4.460 0.009 0.000 0.404 203 C C 1.491 176.642 174.990 0.268 0.000 1.409 203 C CA 0.964 60.139 59.018 0.262 0.000 1.648 203 C CB -0.736 27.204 27.740 0.333 0.000 2.571 203 C HN 0.490 nan 8.230 nan 0.000 0.601 204 S N 2.249 118.149 115.700 0.333 0.000 3.009 204 S HA 0.360 4.836 4.470 0.009 0.000 0.254 204 S C -0.282 174.491 174.600 0.289 0.000 1.004 204 S CA 0.213 58.636 58.200 0.372 0.000 1.119 204 S CB -0.271 63.071 63.200 0.237 0.000 1.075 204 S HN 1.493 nan 8.310 nan 0.000 0.618 205 S N -0.229 115.648 115.700 0.296 0.000 2.547 205 S HA 0.772 5.247 4.470 0.009 0.000 0.270 205 S C 0.802 175.502 174.600 0.168 0.000 1.150 205 S CA -0.272 58.038 58.200 0.184 0.000 0.850 205 S CB 0.989 64.274 63.200 0.142 0.000 1.118 205 S HN 0.678 nan 8.310 nan 0.000 0.461 206 A N 1.271 124.164 122.820 0.122 0.000 1.978 206 A HA -0.125 4.200 4.320 0.009 0.000 0.220 206 A C 2.085 179.678 177.584 0.015 0.000 1.170 206 A CA 2.333 54.432 52.037 0.104 0.000 0.636 206 A CB -1.080 18.042 19.000 0.203 0.000 0.810 206 A HN 0.961 nan 8.150 nan 0.000 0.448 207 Q N 0.122 120.013 119.800 0.152 0.000 2.119 207 Q HA -0.152 4.194 4.340 0.009 0.000 0.201 207 Q C 1.860 177.873 176.000 0.022 0.000 0.972 207 Q CA 2.227 58.097 55.803 0.112 0.000 0.847 207 Q CB -0.365 28.512 28.738 0.231 0.000 0.903 207 Q HN 0.746 nan 8.270 nan 0.000 0.433 208 E N -0.801 119.447 120.200 0.080 0.000 2.107 208 E HA -0.128 4.227 4.350 0.009 0.000 0.191 208 E C 1.880 178.582 176.600 0.170 0.000 0.982 208 E CA 0.953 57.410 56.400 0.095 0.000 0.809 208 E CB -0.064 29.736 29.700 0.168 0.000 0.756 208 E HN 0.457 nan 8.360 nan 0.000 0.459 209 M N -0.198 119.491 119.600 0.148 0.000 2.108 209 M HA -0.159 4.327 4.480 0.009 0.000 0.261 209 M C 2.093 178.448 176.300 0.092 0.000 1.066 209 M CA 1.448 56.813 55.300 0.108 0.000 1.107 209 M CB -0.324 32.120 32.600 -0.261 0.000 1.356 209 M HN 0.204 nan 8.290 nan 0.000 0.406 210 F N 0.774 120.527 119.950 -0.329 0.000 2.216 210 F HA -0.209 4.325 4.527 0.011 0.000 0.300 210 F C 2.132 177.815 175.800 -0.194 0.000 1.085 210 F CA 1.481 59.220 58.000 -0.435 0.000 1.326 210 F CB -0.026 38.348 39.000 -1.043 0.000 1.027 210 F HN 0.063 nan 8.300 nan 0.000 0.497 211 T N -0.726 113.686 114.554 -0.237 0.000 2.770 211 T HA -0.191 4.164 4.350 0.009 0.000 0.263 211 T C 1.556 176.093 174.700 -0.272 0.000 1.039 211 T CA 1.627 63.538 62.100 -0.314 0.000 1.142 211 T CB -0.763 67.946 68.868 -0.266 0.000 0.868 211 T HN 0.340 nan 8.240 nan 0.000 0.435 212 Y N 1.099 121.347 120.300 -0.087 0.000 2.181 212 Y HA -0.059 4.495 4.550 0.007 0.000 0.288 212 Y C 2.356 178.197 175.900 -0.098 0.000 1.146 212 Y CA 0.794 58.841 58.100 -0.087 0.000 1.164 212 Y CB -0.400 38.083 38.460 0.037 0.000 0.982 212 Y HN 0.133 nan 8.280 nan 0.000 0.515 213 I N -1.386 119.265 120.570 0.135 0.000 2.208 213 I HA -0.376 3.800 4.170 0.009 0.000 0.245 213 I C 2.310 178.358 176.117 -0.114 0.000 1.097 213 I CA 1.014 62.330 61.300 0.026 0.000 1.363 213 I CB -0.534 37.471 38.000 0.009 0.000 1.051 213 I HN 0.345 nan 8.210 nan 0.000 0.413 214 C N 0.669 119.791 119.300 -0.296 0.000 2.440 214 C HA -0.114 4.351 4.460 0.009 0.000 0.278 214 C C 2.633 177.521 174.990 -0.170 0.000 1.295 214 C CA 0.750 59.582 59.018 -0.310 0.000 1.738 214 C CB -1.364 26.074 27.740 -0.505 0.000 1.987 214 C HN 0.543 nan 8.230 nan 0.000 0.492 215 N N -0.080 118.512 118.700 -0.181 0.000 2.166 215 N HA -0.137 4.608 4.740 0.009 0.000 0.186 215 N C 1.445 176.857 175.510 -0.162 0.000 1.019 215 N CA 1.379 54.314 53.050 -0.191 0.000 0.856 215 N CB -0.767 37.549 38.487 -0.286 0.000 0.993 215 N HN 0.750 nan 8.380 nan 0.000 0.426 216 H N 0.710 119.630 119.070 -0.250 0.000 2.293 216 H HA 0.040 4.602 4.556 0.011 0.000 0.300 216 H C 2.141 177.483 175.328 0.024 0.000 1.082 216 H CA 1.581 57.546 56.048 -0.138 0.000 1.308 216 H CB -0.059 29.671 29.762 -0.053 0.000 1.375 216 H HN 0.069 nan 8.280 nan 0.000 0.495 217 I N 0.676 121.373 120.570 0.212 0.000 2.264 217 I HA -0.281 3.895 4.170 0.009 0.000 0.248 217 I C 2.416 178.603 176.117 0.117 0.000 1.111 217 I CA 1.408 62.788 61.300 0.134 0.000 1.382 217 I CB -0.260 37.742 38.000 0.003 0.000 1.060 217 I HN 0.330 nan 8.210 nan 0.000 0.418 218 K N -0.142 120.301 120.400 0.072 0.000 2.057 218 K HA -0.211 4.115 4.320 0.009 0.000 0.206 218 K C 2.221 178.884 176.600 0.104 0.000 1.050 218 K CA 1.577 57.899 56.287 0.058 0.000 0.935 218 K CB -0.273 32.238 32.500 0.018 0.000 0.715 218 K HN 0.256 nan 8.250 nan 0.000 0.439 219 Y N 1.075 121.397 120.300 0.038 0.000 2.220 219 Y HA -0.150 4.402 4.550 0.003 0.000 0.291 219 Y C 2.129 178.107 175.900 0.130 0.000 1.129 219 Y CA 1.328 59.486 58.100 0.097 0.000 1.161 219 Y CB -0.197 38.370 38.460 0.178 0.000 0.997 219 Y HN 0.024 nan 8.280 nan 0.000 0.522 220 A N -0.714 122.282 122.820 0.294 0.000 1.902 220 A HA -0.155 4.170 4.320 0.009 0.000 0.217 220 A C 2.183 179.845 177.584 0.131 0.000 1.181 220 A CA 2.226 54.406 52.037 0.239 0.000 0.623 220 A CB -1.244 17.984 19.000 0.380 0.000 0.818 220 A HN 0.501 nan 8.150 nan 0.000 0.443 221 T N -0.451 114.169 114.554 0.111 0.000 2.770 221 T HA -0.085 4.270 4.350 0.009 0.000 0.263 221 T C 1.094 175.808 174.700 0.023 0.000 1.039 221 T CA 1.214 63.362 62.100 0.081 0.000 1.142 221 T CB -0.405 68.505 68.868 0.070 0.000 0.868 221 T HN 0.664 nan 8.240 nan 0.000 0.435 222 N N 0.891 119.577 118.700 -0.024 0.000 2.716 222 N HA -0.252 4.493 4.740 0.009 0.000 0.250 222 N C -0.118 175.368 175.510 -0.039 0.000 1.033 222 N CA 0.613 53.621 53.050 -0.069 0.000 0.727 222 N CB -1.284 37.119 38.487 -0.140 0.000 0.950 222 N HN 0.453 nan 8.380 nan 0.000 0.541 223 R N -2.401 118.088 120.500 -0.018 0.000 3.758 223 R HA -0.219 4.126 4.340 0.009 0.000 0.299 223 R C 1.310 177.597 176.300 -0.022 0.000 1.182 223 R CA 1.277 57.366 56.100 -0.018 0.000 0.809 223 R CB -1.786 28.500 30.300 -0.024 0.000 1.249 223 R HN 0.974 nan 8.270 nan 0.000 0.497 224 G N -0.502 108.292 108.800 -0.009 0.000 2.307 224 G HA2 -0.316 3.649 3.960 0.009 0.000 0.210 224 G HA3 -0.316 3.649 3.960 0.009 0.000 0.210 224 G C -0.031 174.860 174.900 -0.015 0.000 1.005 224 G CA 0.006 45.099 45.100 -0.011 0.000 0.634 224 G HN 0.368 nan 8.290 nan 0.000 0.496 225 N N 1.427 120.106 118.700 -0.034 0.000 3.188 225 N HA 0.492 5.237 4.740 0.009 0.000 0.279 225 N C 0.322 175.808 175.510 -0.040 0.000 1.213 225 N CA -0.447 52.567 53.050 -0.061 0.000 1.138 225 N CB -0.270 38.175 38.487 -0.070 0.000 1.417 225 N HN 0.235 nan 8.380 nan 0.000 0.526 226 L N 1.852 123.083 121.223 0.013 0.000 2.559 226 L HA 0.064 4.409 4.340 0.009 0.000 0.282 226 L C 0.770 177.766 176.870 0.209 0.000 1.232 226 L CA 1.027 55.947 54.840 0.133 0.000 0.885 226 L CB 0.177 42.403 42.059 0.279 0.000 1.131 226 L HN 0.346 nan 8.230 nan 0.000 0.498 227 R N 1.801 122.420 120.500 0.198 0.000 2.534 227 R HA 0.458 4.804 4.340 0.009 0.000 0.301 227 R C -0.474 175.994 176.300 0.281 0.000 0.961 227 R CA -0.678 55.562 56.100 0.234 0.000 0.871 227 R CB 1.625 31.926 30.300 0.002 0.000 1.170 227 R HN 0.577 nan 8.270 nan 0.000 0.446 228 S N 1.414 117.283 115.700 0.282 0.000 2.560 228 S HA 0.474 4.949 4.470 0.009 0.000 0.284 228 S C -0.159 174.500 174.600 0.097 0.000 1.327 228 S CA -0.170 58.087 58.200 0.095 0.000 1.055 228 S CB 1.211 64.399 63.200 -0.019 0.000 0.868 228 S HN 0.726 nan 8.310 nan 0.000 0.506 229 A N 2.100 124.939 122.820 0.032 0.000 2.586 229 A HA 0.827 5.152 4.320 0.009 0.000 0.290 229 A C -1.398 176.194 177.584 0.013 0.000 1.086 229 A CA -0.669 51.340 52.037 -0.046 0.000 0.665 229 A CB 1.136 20.086 19.000 -0.085 0.000 1.279 229 A HN 0.806 nan 8.150 nan 0.000 0.423 230 I N 0.197 120.752 120.570 -0.024 0.000 2.775 230 I HA 0.606 4.781 4.170 0.009 0.000 0.295 230 I C -1.351 174.824 176.117 0.097 0.000 1.287 230 I CA -0.091 61.308 61.300 0.164 0.000 1.029 230 I CB 2.383 40.458 38.000 0.126 0.000 1.282 230 I HN 0.631 nan 8.210 nan 0.000 0.426 231 T N 6.209 120.862 114.554 0.165 0.000 2.792 231 T HA 0.493 4.848 4.350 0.009 0.000 0.280 231 T C -0.793 173.715 174.700 -0.319 0.000 0.990 231 T CA -0.380 61.671 62.100 -0.083 0.000 0.960 231 T CB 1.699 70.521 68.868 -0.076 0.000 0.939 231 T HN 0.269 nan 8.240 nan 0.000 0.439 232 V N 4.887 124.518 119.914 -0.472 0.000 2.347 232 V HA 0.496 4.621 4.120 0.009 0.000 0.280 232 V C -0.552 175.217 176.094 -0.542 0.000 1.021 232 V CA -0.797 61.236 62.300 -0.445 0.000 0.847 232 V CB 0.204 31.724 31.823 -0.505 0.000 0.990 232 V HN 0.723 nan 8.190 nan 0.000 0.444 233 F N 4.920 124.779 119.950 -0.151 0.000 2.380 233 F HA 0.527 5.060 4.527 0.011 0.000 0.319 233 F C -1.875 173.818 175.800 -0.180 0.000 1.113 233 F CA -2.622 55.207 58.000 -0.285 0.000 1.056 233 F CB 0.400 39.218 39.000 -0.304 0.000 1.289 233 F HN 0.289 nan 8.300 nan 0.000 0.515 234 P HA -0.055 nan 4.420 nan 0.000 0.260 234 P C -0.850 176.493 177.300 0.072 0.000 1.172 234 P CA 0.113 63.152 63.100 -0.101 0.000 0.760 234 P CB 0.122 31.657 31.700 -0.276 0.000 0.773 235 Q N 3.719 123.496 119.800 -0.039 0.000 2.584 235 Q HA 0.100 4.446 4.340 0.009 0.000 0.235 235 Q C -0.248 175.666 176.000 -0.143 0.000 1.079 235 Q CA -0.196 55.360 55.803 -0.411 0.000 0.977 235 Q CB 0.471 28.694 28.738 -0.859 0.000 1.293 235 Q HN 0.334 nan 8.270 nan 0.000 0.553 236 R N -0.119 120.269 120.500 -0.188 0.000 2.543 236 R HA 0.440 4.785 4.340 0.009 0.000 0.277 236 R C -0.658 175.593 176.300 -0.082 0.000 1.074 236 R CA 0.256 56.312 56.100 -0.073 0.000 1.076 236 R CB 0.861 31.111 30.300 -0.083 0.000 0.993 236 R HN 0.684 nan 8.270 nan 0.000 0.459 237 A N 4.283 127.092 122.820 -0.018 0.000 2.356 237 A HA 0.551 4.877 4.320 0.009 0.000 0.323 237 A C -2.391 175.187 177.584 -0.011 0.000 1.119 237 A CA -2.109 49.920 52.037 -0.013 0.000 0.790 237 A CB 0.961 19.982 19.000 0.035 0.000 1.273 237 A HN 0.443 nan 8.150 nan 0.000 0.452 238 P HA 0.178 nan 4.420 nan 0.000 0.256 238 P C 1.012 178.314 177.300 0.003 0.000 1.173 238 P CA 2.111 65.208 63.100 -0.005 0.000 0.768 238 P CB 0.289 31.990 31.700 0.002 0.000 0.758 239 G N 2.349 111.149 108.800 -0.000 0.000 2.244 239 G HA2 -0.319 3.646 3.960 0.009 0.000 0.274 239 G HA3 -0.319 3.646 3.960 0.009 0.000 0.274 239 G C 0.373 175.276 174.900 0.005 0.000 1.002 239 G CA 0.113 45.215 45.100 0.003 0.000 0.740 239 G HN 0.687 nan 8.290 nan 0.000 0.516 240 R N -0.046 120.457 120.500 0.006 0.000 2.828 240 R HA 0.597 4.942 4.340 0.009 0.000 0.264 240 R C 0.975 177.273 176.300 -0.003 0.000 1.022 240 R CA -0.081 56.022 56.100 0.006 0.000 1.021 240 R CB 0.778 31.089 30.300 0.019 0.000 1.163 240 R HN 0.273 nan 8.270 nan 0.000 0.494 241 G N 1.170 109.958 108.800 -0.020 0.000 2.544 241 G HA2 0.068 4.034 3.960 0.009 0.000 0.242 241 G HA3 0.068 4.034 3.960 0.009 0.000 0.242 241 G C -0.698 174.177 174.900 -0.041 0.000 1.247 241 G CA -0.360 44.720 45.100 -0.032 0.000 0.840 241 G HN 0.575 nan 8.290 nan 0.000 0.578 242 D N -0.343 120.048 120.400 -0.015 0.000 2.294 242 D HA 0.338 4.984 4.640 0.009 0.000 0.250 242 D C -0.336 175.972 176.300 0.013 0.000 1.058 242 D CA -0.044 53.980 54.000 0.039 0.000 0.950 242 D CB 1.125 41.957 40.800 0.054 0.000 1.158 242 D HN 0.127 nan 8.370 nan 0.000 0.453 243 F N 1.443 121.421 119.950 0.048 0.000 2.420 243 F HA 0.314 4.847 4.527 0.010 0.000 0.352 243 F C 0.948 176.775 175.800 0.046 0.000 1.108 243 F CA -0.019 57.999 58.000 0.030 0.000 1.162 243 F CB 0.625 39.642 39.000 0.027 0.000 1.118 243 F HN -0.207 nan 8.300 nan 0.000 0.510 244 R N 4.150 124.768 120.500 0.195 0.000 2.673 244 R HA 0.520 4.866 4.340 0.009 0.000 0.281 244 R C -1.200 175.252 176.300 0.253 0.000 0.991 244 R CA -0.828 55.398 56.100 0.210 0.000 0.896 244 R CB 2.241 32.666 30.300 0.207 0.000 1.201 244 R HN 0.621 nan 8.270 nan 0.000 0.457 245 I N 2.378 123.080 120.570 0.220 0.000 2.330 245 I HA 0.156 4.332 4.170 0.009 0.000 0.286 245 I C 0.487 176.799 176.117 0.325 0.000 1.025 245 I CA -0.501 60.931 61.300 0.220 0.000 1.197 245 I CB 1.093 39.163 38.000 0.116 0.000 1.358 245 I HN 0.520 nan 8.210 nan 0.000 0.467 246 W N 3.448 124.789 121.300 0.068 0.000 2.374 246 W HA -0.126 4.539 4.660 0.008 0.000 0.288 246 W C 0.945 177.570 176.519 0.176 0.000 1.218 246 W CA 0.196 57.644 57.345 0.172 0.000 1.245 246 W CB -0.934 28.637 29.460 0.185 0.000 1.126 246 W HN 0.418 nan 8.180 nan 0.000 0.545 247 N N 0.044 118.915 118.700 0.284 0.000 2.492 247 N HA 0.034 4.779 4.740 0.009 0.000 0.260 247 N C 1.319 176.894 175.510 0.108 0.000 1.215 247 N CA 0.814 53.955 53.050 0.153 0.000 0.923 247 N CB 0.774 39.289 38.487 0.046 0.000 1.092 247 N HN -0.089 nan 8.380 nan 0.000 0.448 248 S N 1.038 116.794 115.700 0.093 0.000 2.406 248 S HA -0.057 4.418 4.470 0.009 0.000 0.228 248 S C 0.323 174.923 174.600 -0.001 0.000 1.020 248 S CA 0.701 58.941 58.200 0.066 0.000 0.965 248 S CB 0.043 63.301 63.200 0.097 0.000 0.798 248 S HN 0.655 nan 8.310 nan 0.000 0.488 249 Q N -0.515 119.269 119.800 -0.028 0.000 2.389 249 Q HA 0.493 4.838 4.340 0.009 0.000 0.277 249 Q C 0.226 176.141 176.000 -0.143 0.000 1.082 249 Q CA -0.487 55.258 55.803 -0.098 0.000 0.810 249 Q CB 2.083 30.785 28.738 -0.059 0.000 1.374 249 Q HN 0.143 nan 8.270 nan 0.000 0.422 250 L N 0.390 121.504 121.223 -0.181 0.000 2.127 250 L HA -0.061 4.285 4.340 0.009 0.000 0.211 250 L C 0.454 177.177 176.870 -0.244 0.000 1.089 250 L CA 1.002 55.735 54.840 -0.178 0.000 0.757 250 L CB -0.031 41.907 42.059 -0.202 0.000 0.899 250 L HN 0.284 nan 8.230 nan 0.000 0.434 251 V N 0.823 120.508 119.914 -0.383 0.000 2.407 251 V HA 0.492 4.617 4.120 0.009 0.000 0.291 251 V C -0.300 175.286 176.094 -0.847 0.000 1.018 251 V CA -0.708 61.191 62.300 -0.668 0.000 0.842 251 V CB 1.632 32.883 31.823 -0.952 0.000 0.996 251 V HN 0.148 nan 8.190 nan 0.000 0.426 252 R N 2.702 122.826 120.500 -0.628 0.000 2.739 252 R HA 0.553 4.898 4.340 0.009 0.000 0.271 252 R C -1.769 174.326 176.300 -0.342 0.000 1.010 252 R CA -0.847 55.002 56.100 -0.418 0.000 0.897 252 R CB 2.090 32.298 30.300 -0.153 0.000 1.236 252 R HN 0.532 nan 8.270 nan 0.000 0.466 253 Y N 0.017 120.298 120.300 -0.031 0.000 2.361 253 Y HA 0.547 5.103 4.550 0.009 0.000 0.332 253 Y C 0.836 176.696 175.900 -0.067 0.000 1.101 253 Y CA -0.902 57.191 58.100 -0.012 0.000 1.137 253 Y CB 1.430 39.943 38.460 0.088 0.000 1.207 253 Y HN 0.718 nan 8.280 nan 0.000 0.463 254 A N 1.438 124.290 122.820 0.054 0.000 2.483 254 A HA 0.511 4.836 4.320 0.009 0.000 0.238 254 A C 0.599 177.948 177.584 -0.392 0.000 1.070 254 A CA 0.360 52.263 52.037 -0.224 0.000 0.770 254 A CB -0.305 18.484 19.000 -0.351 0.000 1.008 254 A HN 0.958 nan 8.150 nan 0.000 0.497 255 G N 0.913 109.469 108.800 -0.408 0.000 2.814 255 G HA2 0.530 4.495 3.960 0.009 0.000 0.300 255 G HA3 0.530 4.495 3.960 0.009 0.000 0.300 255 G C -0.894 173.846 174.900 -0.268 0.000 1.406 255 G CA -0.279 44.639 45.100 -0.304 0.000 1.041 255 G HN 0.577 nan 8.290 nan 0.000 0.532 256 Y N 1.553 121.863 120.300 0.017 0.000 2.350 256 Y HA 0.423 4.979 4.550 0.009 0.000 0.340 256 Y C 0.941 176.839 175.900 -0.004 0.000 1.006 256 Y CA -1.100 57.010 58.100 0.016 0.000 1.166 256 Y CB 1.420 39.886 38.460 0.009 0.000 1.168 256 Y HN 0.394 nan 8.280 nan 0.000 0.502 257 R N 3.454 124.049 120.500 0.158 0.000 2.316 257 R HA 0.112 4.458 4.340 0.009 0.000 0.314 257 R C -0.485 175.856 176.300 0.070 0.000 1.069 257 R CA -0.124 56.025 56.100 0.082 0.000 0.959 257 R CB 0.238 30.574 30.300 0.060 0.000 0.987 257 R HN 0.564 nan 8.270 nan 0.000 0.446 258 Q N 2.635 122.463 119.800 0.046 0.000 2.212 258 Q HA 0.044 4.389 4.340 0.009 0.000 0.238 258 Q C 0.792 176.800 176.000 0.013 0.000 0.955 258 Q CA -0.585 55.233 55.803 0.026 0.000 0.906 258 Q CB 1.189 29.939 28.738 0.020 0.000 1.215 258 Q HN 0.684 nan 8.270 nan 0.000 0.478 259 Q N 1.512 121.314 119.800 0.003 0.000 2.020 259 Q HA -0.218 4.128 4.340 0.009 0.000 0.202 259 Q C 0.853 176.854 176.000 0.001 0.000 0.982 259 Q CA 2.496 58.299 55.803 -0.001 0.000 0.838 259 Q CB -0.953 27.780 28.738 -0.008 0.000 0.899 259 Q HN 0.797 nan 8.270 nan 0.000 0.423 260 D N -0.338 120.062 120.400 0.001 0.000 2.389 260 D HA 0.033 4.678 4.640 0.009 0.000 0.221 260 D C 1.221 177.524 176.300 0.004 0.000 0.974 260 D CA 1.639 55.640 54.000 0.001 0.000 0.923 260 D CB -0.268 40.532 40.800 -0.000 0.000 0.892 260 D HN 0.596 nan 8.370 nan 0.000 0.518 261 G N -0.586 108.218 108.800 0.007 0.000 2.259 261 G HA2 -0.280 3.686 3.960 0.009 0.000 0.217 261 G HA3 -0.280 3.686 3.960 0.009 0.000 0.217 261 G C 0.603 175.510 174.900 0.011 0.000 1.001 261 G CA 0.215 45.321 45.100 0.010 0.000 0.627 261 G HN 0.837 nan 8.290 nan 0.000 0.501 262 S N -0.489 115.217 115.700 0.009 0.000 2.617 262 S HA 0.654 5.129 4.470 0.009 0.000 0.255 262 S C 0.168 174.772 174.600 0.008 0.000 1.318 262 S CA 0.203 58.406 58.200 0.005 0.000 0.978 262 S CB 1.980 65.181 63.200 0.001 0.000 0.961 262 S HN 1.143 nan 8.310 nan 0.000 0.582 263 V N 1.014 120.922 119.914 -0.009 0.000 2.540 263 V HA 0.539 4.665 4.120 0.009 0.000 0.302 263 V C 0.104 176.172 176.094 -0.044 0.000 1.035 263 V CA -0.809 61.480 62.300 -0.018 0.000 0.873 263 V CB 1.554 33.348 31.823 -0.048 0.000 0.992 263 V HN 0.912 nan 8.190 nan 0.000 0.428 264 R N 2.644 123.146 120.500 0.003 0.000 2.346 264 R HA 0.691 5.036 4.340 0.009 0.000 0.311 264 R C 0.619 176.848 176.300 -0.119 0.000 0.983 264 R CA 0.866 56.959 56.100 -0.010 0.000 0.880 264 R CB 1.298 31.672 30.300 0.123 0.000 1.100 264 R HN 1.142 nan 8.270 nan 0.000 0.453 265 G N 2.894 111.534 108.800 -0.267 0.000 2.513 265 G HA2 -0.257 3.709 3.960 0.009 0.000 0.227 265 G HA3 -0.257 3.709 3.960 0.009 0.000 0.227 265 G C -1.228 173.252 174.900 -0.701 0.000 1.176 265 G CA 0.027 44.882 45.100 -0.408 0.000 0.967 265 G HN 0.639 nan 8.290 nan 0.000 0.587 266 D N 1.728 121.882 120.400 -0.410 0.000 2.373 266 D HA 0.585 5.230 4.640 0.009 0.000 0.227 266 D C -1.098 175.112 176.300 -0.150 0.000 1.091 266 D CA -2.003 51.809 54.000 -0.314 0.000 0.840 266 D CB 1.530 42.465 40.800 0.225 0.000 1.060 266 D HN -0.012 nan 8.370 nan 0.000 0.502 267 P HA -0.091 nan 4.420 nan 0.000 0.221 267 P C 0.918 178.234 177.300 0.026 0.000 1.145 267 P CA 0.892 63.962 63.100 -0.051 0.000 0.795 267 P CB 0.287 31.967 31.700 -0.034 0.000 0.775 268 A N -0.344 122.517 122.820 0.069 0.000 2.015 268 A HA -0.125 4.201 4.320 0.009 0.000 0.219 268 A C 1.561 179.206 177.584 0.101 0.000 1.163 268 A CA 1.311 53.418 52.037 0.118 0.000 0.646 268 A CB -0.890 18.210 19.000 0.166 0.000 0.806 268 A HN 0.159 nan 8.150 nan 0.000 0.448 269 N N 0.053 118.796 118.700 0.072 0.000 2.376 269 N HA 0.186 4.931 4.740 0.009 0.000 0.249 269 N C 0.889 176.404 175.510 0.008 0.000 1.140 269 N CA 0.106 53.186 53.050 0.049 0.000 0.870 269 N CB 0.866 39.379 38.487 0.044 0.000 1.124 269 N HN 0.224 nan 8.380 nan 0.000 0.505 270 V N 0.477 120.399 119.914 0.014 0.000 2.323 270 V HA -0.183 3.943 4.120 0.009 0.000 0.244 270 V C 2.429 178.528 176.094 0.007 0.000 1.041 270 V CA 1.565 63.869 62.300 0.006 0.000 1.025 270 V CB -0.234 31.599 31.823 0.017 0.000 0.656 270 V HN 0.360 nan 8.190 nan 0.000 0.451 271 E N 0.182 120.387 120.200 0.008 0.000 2.023 271 E HA -0.286 4.070 4.350 0.009 0.000 0.196 271 E C 2.119 178.646 176.600 -0.121 0.000 1.003 271 E CA 2.012 58.383 56.400 -0.048 0.000 0.809 271 E CB -0.277 29.422 29.700 -0.001 0.000 0.755 271 E HN 0.431 nan 8.360 nan 0.000 0.449 272 I N 0.833 121.360 120.570 -0.073 0.000 2.423 272 I HA -0.226 3.950 4.170 0.009 0.000 0.254 272 I C 2.011 178.104 176.117 -0.041 0.000 1.151 272 I CA 1.582 62.836 61.300 -0.076 0.000 1.421 272 I CB -0.343 37.674 38.000 0.029 0.000 1.079 272 I HN 0.161 nan 8.210 nan 0.000 0.431 273 T N 0.223 114.773 114.554 -0.008 0.000 2.777 273 T HA -0.140 4.215 4.350 0.009 0.000 0.266 273 T C 1.710 176.498 174.700 0.146 0.000 1.040 273 T CA 1.712 63.849 62.100 0.063 0.000 1.141 273 T CB -0.210 68.689 68.868 0.052 0.000 0.868 273 T HN 0.479 nan 8.240 nan 0.000 0.444 274 E N 0.886 121.135 120.200 0.082 0.000 2.106 274 E HA 0.008 4.363 4.350 0.009 0.000 0.192 274 E C 2.226 178.869 176.600 0.072 0.000 0.984 274 E CA 0.646 57.096 56.400 0.084 0.000 0.806 274 E CB -0.280 29.440 29.700 0.032 0.000 0.750 274 E HN 0.370 nan 8.360 nan 0.000 0.458 275 L N 0.531 121.759 121.223 0.007 0.000 2.127 275 L HA -0.244 4.101 4.340 0.009 0.000 0.211 275 L C 2.432 179.416 176.870 0.189 0.000 1.089 275 L CA 0.778 55.648 54.840 0.051 0.000 0.757 275 L CB -0.324 41.666 42.059 -0.115 0.000 0.899 275 L HN 0.350 nan 8.230 nan 0.000 0.434 276 C N -0.401 118.975 119.300 0.126 0.000 2.466 276 C HA -0.101 4.364 4.460 0.009 0.000 0.278 276 C C 2.668 177.831 174.990 0.289 0.000 1.288 276 C CA 0.150 59.260 59.018 0.153 0.000 1.722 276 C CB -0.514 27.254 27.740 0.047 0.000 2.017 276 C HN 0.422 nan 8.230 nan 0.000 0.488 277 I N 0.780 121.533 120.570 0.305 0.000 2.163 277 I HA -0.309 3.867 4.170 0.009 0.000 0.243 277 I C 2.574 178.752 176.117 0.103 0.000 1.085 277 I CA 1.698 63.127 61.300 0.215 0.000 1.347 277 I CB -0.682 37.412 38.000 0.156 0.000 1.044 277 I HN 0.465 nan 8.210 nan 0.000 0.408 278 Q N -0.396 119.447 119.800 0.071 0.000 2.364 278 Q HA -0.203 4.143 4.340 0.009 0.000 0.209 278 Q C 0.813 176.695 176.000 -0.197 0.000 0.977 278 Q CA 1.084 56.853 55.803 -0.057 0.000 0.885 278 Q CB -0.130 28.561 28.738 -0.079 0.000 0.941 278 Q HN 0.635 nan 8.270 nan 0.000 0.464 279 H N -1.687 117.374 119.070 -0.014 0.000 2.487 279 H HA 0.258 4.820 4.556 0.009 0.000 0.290 279 H C 0.740 176.047 175.328 -0.036 0.000 1.081 279 H CA 0.428 56.441 56.048 -0.058 0.000 1.116 279 H CB 0.850 30.536 29.762 -0.127 0.000 1.560 279 H HN 0.332 nan 8.280 nan 0.000 0.548 280 G N -0.094 108.740 108.800 0.056 0.000 2.175 280 G HA2 -0.276 3.689 3.960 0.009 0.000 0.244 280 G HA3 -0.276 3.689 3.960 0.009 0.000 0.244 280 G C -0.002 174.959 174.900 0.103 0.000 0.982 280 G CA -0.057 45.066 45.100 0.039 0.000 0.641 280 G HN 0.398 nan 8.290 nan 0.000 0.527 281 W N 2.369 123.651 121.300 -0.030 0.000 2.266 281 W HA 0.638 5.304 4.660 0.009 0.000 0.317 281 W C 0.287 176.799 176.519 -0.011 0.000 1.310 281 W CA 0.140 57.470 57.345 -0.024 0.000 1.207 281 W CB 0.822 30.278 29.460 -0.006 0.000 1.199 281 W HN 0.022 nan 8.180 nan 0.000 0.544 282 T N 9.833 124.026 114.554 -0.601 0.000 2.863 282 T HA 0.148 4.503 4.350 0.009 0.000 0.299 282 T C -2.051 171.868 174.700 -1.302 0.000 0.973 282 T CA -0.857 60.848 62.100 -0.659 0.000 0.994 282 T CB 0.027 68.667 68.868 -0.381 0.000 0.961 282 T HN 0.233 nan 8.240 nan 0.000 0.552 283 P HA 0.203 nan 4.420 nan 0.000 0.269 283 P C 0.451 177.314 177.300 -0.728 0.000 1.209 283 P CA -0.124 62.204 63.100 -1.287 0.000 0.776 283 P CB 0.922 32.335 31.700 -0.477 0.000 0.876 284 G N 1.335 109.879 108.800 -0.426 0.000 2.695 284 G HA2 0.328 4.294 3.960 0.009 0.000 0.213 284 G HA3 0.328 4.294 3.960 0.009 0.000 0.213 284 G C 0.021 174.673 174.900 -0.414 0.000 1.406 284 G CA -0.651 44.329 45.100 -0.200 0.000 1.049 284 G HN 0.773 nan 8.290 nan 0.000 0.573 285 N N -1.478 117.113 118.700 -0.181 0.000 2.423 285 N HA 0.242 4.987 4.740 0.009 0.000 0.262 285 N C 0.355 175.918 175.510 0.089 0.000 1.467 285 N CA -0.406 52.485 53.050 -0.265 0.000 0.847 285 N CB 0.652 38.980 38.487 -0.264 0.000 1.394 285 N HN 0.670 nan 8.380 nan 0.000 0.495 286 G N 0.454 109.417 108.800 0.271 0.000 2.535 286 G HA2 0.227 4.192 3.960 0.009 0.000 0.303 286 G HA3 0.227 4.192 3.960 0.009 0.000 0.303 286 G C 0.234 175.240 174.900 0.177 0.000 1.237 286 G CA -0.669 44.553 45.100 0.204 0.000 0.986 286 G HN 0.191 nan 8.290 nan 0.000 0.494 287 R N -1.432 119.090 120.500 0.035 0.000 2.254 287 R HA 0.206 4.551 4.340 0.009 0.000 0.195 287 R C -0.133 175.771 176.300 -0.660 0.000 0.957 287 R CA 0.302 56.246 56.100 -0.260 0.000 1.024 287 R CB 0.062 30.190 30.300 -0.286 0.000 0.952 287 R HN 0.384 nan 8.270 nan 0.000 0.484 288 F N 0.941 120.831 119.950 -0.100 0.000 2.577 288 F HA 0.289 4.821 4.527 0.009 0.000 0.342 288 F C -1.042 174.686 175.800 -0.120 0.000 1.479 288 F CA -1.122 56.573 58.000 -0.508 0.000 1.110 288 F CB 0.849 39.383 39.000 -0.776 0.000 1.306 288 F HN -0.261 nan 8.300 nan 0.000 0.554 289 D N 1.619 122.157 120.400 0.230 0.000 2.316 289 D HA 0.211 4.856 4.640 0.009 0.000 0.245 289 D C 0.151 176.680 176.300 0.381 0.000 1.171 289 D CA 0.035 54.241 54.000 0.344 0.000 0.856 289 D CB 2.179 43.236 40.800 0.428 0.000 1.090 289 D HN -0.040 nan 8.370 nan 0.000 0.476 290 V N 3.865 123.972 119.914 0.323 0.000 2.485 290 V HA 0.019 4.144 4.120 0.009 0.000 0.287 290 V C 1.007 177.078 176.094 -0.039 0.000 1.022 290 V CA -0.305 62.065 62.300 0.116 0.000 1.067 290 V CB 0.122 31.974 31.823 0.048 0.000 0.967 290 V HN 0.343 nan 8.190 nan 0.000 0.479 291 L N 8.186 129.293 121.223 -0.194 0.000 2.464 291 L HA 0.360 4.706 4.340 0.009 0.000 0.264 291 L C -1.704 174.907 176.870 -0.432 0.000 1.199 291 L CA -1.258 53.315 54.840 -0.444 0.000 0.818 291 L CB 0.713 42.552 42.059 -0.366 0.000 1.102 291 L HN 0.489 nan 8.230 nan 0.000 0.473 292 P HA 0.315 nan 4.420 nan 0.000 0.283 292 P C -1.312 175.831 177.300 -0.263 0.000 1.271 292 P CA -0.609 62.242 63.100 -0.416 0.000 0.841 292 P CB 1.257 32.593 31.700 -0.606 0.000 1.122 293 L N 1.247 122.404 121.223 -0.110 0.000 2.307 293 L HA 0.407 4.752 4.340 0.009 0.000 0.282 293 L C 0.462 177.312 176.870 -0.033 0.000 1.051 293 L CA -0.774 54.046 54.840 -0.033 0.000 0.804 293 L CB 0.643 42.744 42.059 0.070 0.000 1.197 293 L HN 0.199 nan 8.230 nan 0.000 0.431 294 L N 5.244 126.428 121.223 -0.064 0.000 2.272 294 L HA 0.438 4.783 4.340 0.009 0.000 0.284 294 L C -0.612 176.169 176.870 -0.149 0.000 1.045 294 L CA -0.237 54.478 54.840 -0.209 0.000 0.842 294 L CB 0.786 42.634 42.059 -0.352 0.000 1.224 294 L HN 0.454 nan 8.230 nan 0.000 0.430 295 L N 4.199 125.380 121.223 -0.069 0.000 2.282 295 L HA 0.467 4.812 4.340 0.009 0.000 0.288 295 L C -0.162 176.662 176.870 -0.076 0.000 1.033 295 L CA -0.324 54.504 54.840 -0.020 0.000 0.807 295 L CB 1.669 43.740 42.059 0.020 0.000 1.209 295 L HN 0.567 nan 8.230 nan 0.000 0.423 296 Q N 3.060 122.842 119.800 -0.029 0.000 2.357 296 Q HA 0.650 4.995 4.340 0.009 0.000 0.266 296 Q C -0.949 175.001 176.000 -0.082 0.000 1.021 296 Q CA -0.549 55.239 55.803 -0.025 0.000 0.784 296 Q CB 1.932 30.767 28.738 0.163 0.000 1.243 296 Q HN 0.782 nan 8.270 nan 0.000 0.465 297 A N 4.987 127.706 122.820 -0.169 0.000 2.271 297 A HA 0.603 4.928 4.320 0.009 0.000 0.288 297 A C -2.374 174.950 177.584 -0.435 0.000 1.094 297 A CA -1.600 50.173 52.037 -0.441 0.000 0.828 297 A CB 0.031 18.878 19.000 -0.255 0.000 1.091 297 A HN 0.660 nan 8.150 nan 0.000 0.493 298 P HA 0.020 nan 4.420 nan 0.000 0.258 298 P C -0.735 176.468 177.300 -0.161 0.000 1.172 298 P CA 0.973 63.863 63.100 -0.351 0.000 0.762 298 P CB 0.061 31.558 31.700 -0.338 0.000 0.764 299 D N 0.854 121.204 120.400 -0.084 0.000 2.772 299 D HA -0.181 4.464 4.640 0.009 0.000 0.233 299 D C -0.219 176.067 176.300 -0.024 0.000 1.143 299 D CA 1.289 55.270 54.000 -0.033 0.000 0.700 299 D CB -0.833 39.952 40.800 -0.025 0.000 1.076 299 D HN 0.562 nan 8.370 nan 0.000 0.430 300 E N -0.902 119.281 120.200 -0.028 0.000 2.367 300 E HA 0.650 5.005 4.350 0.009 0.000 0.273 300 E C -0.271 176.328 176.600 -0.001 0.000 0.903 300 E CA -0.890 55.499 56.400 -0.019 0.000 0.764 300 E CB 1.809 31.483 29.700 -0.043 0.000 1.252 300 E HN 0.119 nan 8.360 nan 0.000 0.446 301 A N 2.836 125.655 122.820 -0.001 0.000 2.425 301 A HA 0.329 4.655 4.320 0.009 0.000 0.242 301 A C -2.043 175.470 177.584 -0.119 0.000 1.077 301 A CA -0.864 51.168 52.037 -0.008 0.000 0.781 301 A CB -0.427 18.581 19.000 0.014 0.000 1.020 301 A HN 0.308 nan 8.150 nan 0.000 0.494 302 P HA 0.195 nan 4.420 nan 0.000 0.271 302 P C -0.560 176.527 177.300 -0.355 0.000 1.218 302 P CA 0.112 62.911 63.100 -0.501 0.000 0.780 302 P CB 0.792 31.727 31.700 -1.276 0.000 0.901 303 E N 0.606 120.666 120.200 -0.234 0.000 2.222 303 E HA 0.470 4.825 4.350 0.009 0.000 0.267 303 E C -0.747 175.653 176.600 -0.334 0.000 0.963 303 E CA -1.016 55.235 56.400 -0.248 0.000 0.837 303 E CB 1.140 30.736 29.700 -0.174 0.000 1.183 303 E HN 0.262 nan 8.360 nan 0.000 0.403 304 L N 2.054 122.965 121.223 -0.520 0.000 2.322 304 L HA 0.506 4.852 4.340 0.009 0.000 0.279 304 L C -1.557 174.793 176.870 -0.867 0.000 1.036 304 L CA 0.002 54.561 54.840 -0.468 0.000 0.807 304 L CB 0.500 42.392 42.059 -0.278 0.000 1.226 304 L HN 0.416 nan 8.230 nan 0.000 0.433 305 F N 3.317 123.050 119.950 -0.362 0.000 2.574 305 F HA 0.500 5.033 4.527 0.010 0.000 0.313 305 F C -0.524 175.029 175.800 -0.411 0.000 1.130 305 F CA -0.869 56.766 58.000 -0.608 0.000 0.936 305 F CB 1.953 40.233 39.000 -1.199 0.000 1.219 305 F HN -0.000 nan 8.300 nan 0.000 0.445 306 V N 4.461 124.291 119.914 -0.139 0.000 2.394 306 V HA 0.340 4.465 4.120 0.009 0.000 0.282 306 V C 0.069 176.271 176.094 0.179 0.000 1.031 306 V CA -0.789 61.518 62.300 0.012 0.000 0.881 306 V CB 1.556 33.416 31.823 0.061 0.000 0.982 306 V HN 0.549 nan 8.190 nan 0.000 0.451 307 L N 7.162 128.503 121.223 0.196 0.000 2.410 307 L HA 0.246 4.591 4.340 0.009 0.000 0.273 307 L C -2.076 174.894 176.870 0.167 0.000 1.144 307 L CA -1.444 53.542 54.840 0.243 0.000 0.863 307 L CB 0.557 42.687 42.059 0.119 0.000 1.140 307 L HN 0.431 nan 8.230 nan 0.000 0.463 308 P HA 0.010 nan 4.420 nan 0.000 0.256 308 P C -1.923 175.421 177.300 0.073 0.000 1.189 308 P CA -0.764 62.402 63.100 0.110 0.000 0.808 308 P CB 0.311 32.061 31.700 0.083 0.000 0.793 309 P HA -0.294 nan 4.420 nan 0.000 0.219 309 P C 1.477 178.804 177.300 0.046 0.000 1.153 309 P CA 1.541 64.679 63.100 0.063 0.000 0.865 309 P CB -0.173 31.569 31.700 0.070 0.000 0.788 310 E N -0.288 119.936 120.200 0.040 0.000 2.204 310 E HA -0.149 4.206 4.350 0.009 0.000 0.195 310 E C 1.878 178.490 176.600 0.020 0.000 0.990 310 E CA 1.107 57.523 56.400 0.027 0.000 0.821 310 E CB -1.169 28.546 29.700 0.024 0.000 0.750 310 E HN 0.318 nan 8.360 nan 0.000 0.477 311 L N 1.034 122.269 121.223 0.019 0.000 2.179 311 L HA 0.037 4.383 4.340 0.009 0.000 0.208 311 L C 0.979 177.855 176.870 0.011 0.000 1.096 311 L CA 0.292 55.136 54.840 0.007 0.000 0.779 311 L CB 0.103 42.156 42.059 -0.010 0.000 0.922 311 L HN -0.082 nan 8.230 nan 0.000 0.443 312 V N 2.656 122.579 119.914 0.014 0.000 2.352 312 V HA 0.050 4.176 4.120 0.009 0.000 0.253 312 V C 0.201 176.315 176.094 0.034 0.000 1.083 312 V CA -0.391 61.916 62.300 0.011 0.000 0.993 312 V CB 0.586 32.406 31.823 -0.006 0.000 1.111 312 V HN 0.078 nan 8.190 nan 0.000 0.490 313 L N 6.022 127.272 121.223 0.044 0.000 2.410 313 L HA 0.386 4.731 4.340 0.009 0.000 0.273 313 L C 0.229 177.134 176.870 0.058 0.000 1.144 313 L CA 0.743 55.606 54.840 0.038 0.000 0.863 313 L CB 0.257 42.334 42.059 0.031 0.000 1.140 313 L HN 0.645 nan 8.230 nan 0.000 0.463 314 E N 3.540 123.755 120.200 0.025 0.000 2.299 314 E HA 0.598 4.953 4.350 0.009 0.000 0.265 314 E C -1.442 175.111 176.600 -0.078 0.000 0.911 314 E CA -1.043 55.372 56.400 0.024 0.000 0.789 314 E CB 2.479 32.220 29.700 0.068 0.000 1.246 314 E HN 0.371 nan 8.360 nan 0.000 0.427 315 V N 2.605 122.444 119.914 -0.125 0.000 2.407 315 V HA 0.308 4.433 4.120 0.009 0.000 0.291 315 V C -2.452 173.582 176.094 -0.100 0.000 1.018 315 V CA -2.042 60.125 62.300 -0.222 0.000 0.842 315 V CB 1.274 32.733 31.823 -0.607 0.000 0.996 315 V HN 0.523 nan 8.190 nan 0.000 0.426 316 P HA 0.340 nan 4.420 nan 0.000 0.275 316 P C -0.730 176.578 177.300 0.013 0.000 1.227 316 P CA -0.187 62.884 63.100 -0.047 0.000 0.781 316 P CB 0.659 32.337 31.700 -0.037 0.000 0.906 317 L N 3.200 124.467 121.223 0.074 0.000 2.275 317 L HA 0.491 4.836 4.340 0.009 0.000 0.288 317 L C 0.919 177.952 176.870 0.271 0.000 1.046 317 L CA -0.270 54.682 54.840 0.186 0.000 0.805 317 L CB 0.677 42.911 42.059 0.292 0.000 1.193 317 L HN 0.474 nan 8.230 nan 0.000 0.426 318 E N 1.752 122.078 120.200 0.210 0.000 2.393 318 E HA 0.418 4.773 4.350 0.009 0.000 0.273 318 E C -1.300 175.324 176.600 0.040 0.000 0.918 318 E CA -0.945 55.584 56.400 0.216 0.000 0.773 318 E CB 2.208 32.008 29.700 0.168 0.000 1.275 318 E HN 0.475 nan 8.360 nan 0.000 0.451 319 H N 1.591 120.522 119.070 -0.230 0.000 2.479 319 H HA 0.233 4.794 4.556 0.009 0.000 0.335 319 H C -1.742 173.268 175.328 -0.530 0.000 1.142 319 H CA -2.322 53.427 56.048 -0.499 0.000 1.234 319 H CB 1.951 31.324 29.762 -0.649 0.000 1.503 319 H HN 0.434 nan 8.280 nan 0.000 0.510 320 P HA -0.105 nan 4.420 nan 0.000 0.220 320 P C 0.850 177.980 177.300 -0.284 0.000 1.148 320 P CA 1.690 64.233 63.100 -0.927 0.000 0.803 320 P CB 0.430 31.586 31.700 -0.907 0.000 0.782 321 T N -5.166 109.429 114.554 0.067 0.000 2.993 321 T HA 0.227 4.582 4.350 0.009 0.000 0.260 321 T C 0.680 175.338 174.700 -0.070 0.000 0.939 321 T CA -0.230 61.888 62.100 0.030 0.000 0.886 321 T CB -0.474 68.414 68.868 0.033 0.000 1.209 321 T HN -0.066 nan 8.240 nan 0.000 0.518 322 L N 2.743 123.828 121.223 -0.230 0.000 2.302 322 L HA 0.416 4.761 4.340 0.009 0.000 0.285 322 L C 1.206 177.721 176.870 -0.592 0.000 1.090 322 L CA -0.404 54.030 54.840 -0.678 0.000 0.866 322 L CB 0.688 41.941 42.059 -1.343 0.000 1.244 322 L HN 0.237 nan 8.230 nan 0.000 0.435 323 E N 3.307 123.323 120.200 -0.307 0.000 2.209 323 E HA -0.208 4.148 4.350 0.009 0.000 0.196 323 E C 1.504 178.071 176.600 -0.056 0.000 0.993 323 E CA 1.516 57.847 56.400 -0.116 0.000 0.819 323 E CB 0.044 29.748 29.700 0.008 0.000 0.745 323 E HN 0.811 nan 8.360 nan 0.000 0.477 324 W N -0.186 121.164 121.300 0.083 0.000 2.584 324 W HA 0.018 4.684 4.660 0.009 0.000 0.264 324 W C 1.544 178.119 176.519 0.094 0.000 1.264 324 W CA -0.243 57.143 57.345 0.067 0.000 1.306 324 W CB -0.922 28.556 29.460 0.031 0.000 1.110 324 W HN -0.061 nan 8.180 nan 0.000 0.606 325 F N 3.019 122.700 119.950 -0.448 0.000 2.126 325 F HA -0.148 4.384 4.527 0.009 0.000 0.299 325 F C 2.688 178.492 175.800 0.007 0.000 1.096 325 F CA 3.055 60.910 58.000 -0.243 0.000 1.255 325 F CB -0.476 38.232 39.000 -0.487 0.000 0.997 325 F HN -0.085 nan 8.300 nan 0.000 0.479 326 A N -0.006 122.944 122.820 0.217 0.000 2.024 326 A HA -0.094 4.231 4.320 0.009 0.000 0.220 326 A C 2.250 179.894 177.584 0.101 0.000 1.164 326 A CA 1.487 53.624 52.037 0.168 0.000 0.643 326 A CB -1.363 17.710 19.000 0.122 0.000 0.806 326 A HN 0.451 nan 8.150 nan 0.000 0.451 327 A N -1.038 121.849 122.820 0.111 0.000 2.119 327 A HA 0.157 4.482 4.320 0.009 0.000 0.217 327 A C 1.711 179.334 177.584 0.065 0.000 1.153 327 A CA 1.034 53.129 52.037 0.097 0.000 0.692 327 A CB -0.365 18.715 19.000 0.134 0.000 0.799 327 A HN 0.366 nan 8.150 nan 0.000 0.458 328 L N -0.772 120.462 121.223 0.019 0.000 2.362 328 L HA 0.072 4.417 4.340 0.009 0.000 0.219 328 L C 1.885 178.764 176.870 0.014 0.000 1.134 328 L CA 1.199 56.021 54.840 -0.029 0.000 0.807 328 L CB -1.058 40.869 42.059 -0.221 0.000 0.927 328 L HN 0.629 nan 8.230 nan 0.000 0.447 329 G N -0.535 108.275 108.800 0.016 0.000 2.198 329 G HA2 -0.294 3.672 3.960 0.009 0.000 0.260 329 G HA3 -0.294 3.672 3.960 0.009 0.000 0.260 329 G C 0.336 175.210 174.900 -0.044 0.000 1.025 329 G CA 0.375 45.486 45.100 0.018 0.000 0.769 329 G HN 0.320 nan 8.290 nan 0.000 0.507 330 L N -0.233 120.950 121.223 -0.067 0.000 2.375 330 L HA 0.792 5.137 4.340 0.009 0.000 0.271 330 L C 1.086 177.763 176.870 -0.322 0.000 1.107 330 L CA -0.676 54.059 54.840 -0.175 0.000 0.806 330 L CB 0.955 43.029 42.059 0.024 0.000 1.146 330 L HN 0.556 nan 8.230 nan 0.000 0.447 331 R N 1.423 121.530 120.500 -0.654 0.000 2.733 331 R HA 0.520 4.865 4.340 0.009 0.000 0.272 331 R C -2.116 174.143 176.300 -0.068 0.000 1.029 331 R CA -1.025 54.867 56.100 -0.346 0.000 0.888 331 R CB 1.872 31.922 30.300 -0.417 0.000 1.251 331 R HN 0.641 nan 8.270 nan 0.000 0.464 332 W N 1.495 122.758 121.300 -0.061 0.000 3.213 332 W HA 0.330 4.995 4.660 0.008 0.000 0.318 332 W C -1.293 175.290 176.519 0.107 0.000 1.248 332 W CA -0.963 56.425 57.345 0.072 0.000 1.187 332 W CB 1.961 31.367 29.460 -0.089 0.000 1.403 332 W HN 0.692 nan 8.180 nan 0.000 0.556 333 Y N 1.170 121.353 120.300 -0.196 0.000 2.301 333 Y HA 0.546 5.101 4.550 0.008 0.000 0.328 333 Y C 0.766 176.876 175.900 0.349 0.000 1.242 333 Y CA 0.135 58.228 58.100 -0.011 0.000 1.323 333 Y CB 0.380 38.708 38.460 -0.220 0.000 1.266 333 Y HN 0.345 nan 8.280 nan 0.000 0.527 334 A N 2.519 125.586 122.820 0.411 0.000 2.072 334 A HA 0.086 4.411 4.320 0.009 0.000 0.216 334 A C 0.456 178.388 177.584 0.579 0.000 1.156 334 A CA 0.226 52.566 52.037 0.506 0.000 0.701 334 A CB -0.254 18.882 19.000 0.227 0.000 0.816 334 A HN 0.668 nan 8.150 nan 0.000 0.458 335 L N 2.111 123.637 121.223 0.505 0.000 2.264 335 L HA 0.409 4.754 4.340 0.009 0.000 0.287 335 L C -2.568 174.485 176.870 0.304 0.000 1.039 335 L CA -2.274 52.765 54.840 0.331 0.000 0.829 335 L CB 1.411 43.586 42.059 0.194 0.000 1.211 335 L HN -0.036 nan 8.230 nan 0.000 0.427 336 P HA 0.319 nan 4.420 nan 0.000 0.291 336 P C -1.365 175.842 177.300 -0.155 0.000 1.340 336 P CA -0.351 62.640 63.100 -0.181 0.000 0.799 336 P CB 1.352 32.515 31.700 -0.896 0.000 0.917 337 A N 4.695 127.430 122.820 -0.142 0.000 2.646 337 A HA 0.389 4.714 4.320 0.009 0.000 0.312 337 A C -0.084 177.261 177.584 -0.398 0.000 1.245 337 A CA -0.650 51.214 52.037 -0.288 0.000 0.755 337 A CB 0.544 19.388 19.000 -0.260 0.000 1.132 337 A HN 0.299 nan 8.150 nan 0.000 0.458 338 V N 2.590 122.096 119.914 -0.679 0.000 2.540 338 V HA 0.170 4.295 4.120 0.009 0.000 0.297 338 V C 1.289 177.020 176.094 -0.605 0.000 1.024 338 V CA 1.371 63.262 62.300 -0.682 0.000 1.105 338 V CB 0.912 32.114 31.823 -1.036 0.000 0.938 338 V HN 1.077 nan 8.190 nan 0.000 0.482 339 S N 1.536 117.074 115.700 -0.270 0.000 2.780 339 S HA 0.074 4.549 4.470 0.009 0.000 0.248 339 S C 0.741 175.340 174.600 -0.003 0.000 1.036 339 S CA 0.073 58.199 58.200 -0.123 0.000 1.061 339 S CB -0.421 62.732 63.200 -0.079 0.000 1.037 339 S HN 0.926 nan 8.310 nan 0.000 0.584 340 N N 0.235 118.939 118.700 0.006 0.000 2.184 340 N HA 0.311 5.056 4.740 0.009 0.000 0.206 340 N C 0.228 175.800 175.510 0.104 0.000 1.151 340 N CA -0.531 52.554 53.050 0.060 0.000 0.878 340 N CB 0.114 38.632 38.487 0.052 0.000 1.014 340 N HN 0.241 nan 8.380 nan 0.000 0.512 341 M N 1.338 121.024 119.600 0.144 0.000 2.291 341 M HA 0.267 4.752 4.480 0.009 0.000 0.324 341 M C -0.528 175.916 176.300 0.240 0.000 1.148 341 M CA -0.770 54.658 55.300 0.213 0.000 1.104 341 M CB 2.033 34.804 32.600 0.285 0.000 1.483 341 M HN 0.145 nan 8.290 nan 0.000 0.467 342 L N 2.846 124.186 121.223 0.194 0.000 2.282 342 L HA 0.469 4.814 4.340 0.009 0.000 0.288 342 L C -1.214 175.747 176.870 0.152 0.000 1.033 342 L CA -0.803 54.133 54.840 0.161 0.000 0.807 342 L CB 0.998 43.106 42.059 0.081 0.000 1.209 342 L HN 0.567 nan 8.230 nan 0.000 0.423 343 L N 5.492 126.803 121.223 0.147 0.000 2.260 343 L HA 0.440 4.785 4.340 0.009 0.000 0.289 343 L C -0.446 176.427 176.870 0.005 0.000 1.057 343 L CA 0.378 55.188 54.840 -0.049 0.000 0.811 343 L CB 0.869 42.896 42.059 -0.052 0.000 1.184 343 L HN 0.658 nan 8.230 nan 0.000 0.429 344 E N 6.554 126.677 120.200 -0.127 0.000 2.158 344 E HA 0.430 4.785 4.350 0.009 0.000 0.271 344 E C -1.589 174.922 176.600 -0.149 0.000 0.911 344 E CA -0.489 55.857 56.400 -0.090 0.000 0.767 344 E CB 1.250 30.898 29.700 -0.088 0.000 1.120 344 E HN 0.703 nan 8.360 nan 0.000 0.405 345 I N 2.228 122.717 120.570 -0.136 0.000 2.534 345 I HA 0.272 4.447 4.170 0.009 0.000 0.288 345 I C 0.890 176.824 176.117 -0.305 0.000 1.077 345 I CA -0.754 60.357 61.300 -0.316 0.000 1.051 345 I CB 2.106 39.841 38.000 -0.442 0.000 1.234 345 I HN 0.784 nan 8.210 nan 0.000 0.425 346 G N 4.075 112.743 108.800 -0.221 0.000 2.402 346 G HA2 -0.125 3.841 3.960 0.009 0.000 0.300 346 G HA3 -0.125 3.841 3.960 0.009 0.000 0.300 346 G C 1.052 176.035 174.900 0.139 0.000 0.987 346 G CA 1.012 46.168 45.100 0.094 0.000 0.881 346 G HN 1.588 nan 8.290 nan 0.000 0.512 347 G N -1.687 107.129 108.800 0.026 0.000 2.317 347 G HA2 -0.238 3.727 3.960 0.009 0.000 0.227 347 G HA3 -0.238 3.727 3.960 0.009 0.000 0.227 347 G C 0.594 175.438 174.900 -0.093 0.000 1.042 347 G CA 0.202 45.310 45.100 0.014 0.000 0.623 347 G HN 1.246 nan 8.290 nan 0.000 0.509 348 L N 1.457 122.561 121.223 -0.197 0.000 2.453 348 L HA 0.433 4.779 4.340 0.009 0.000 0.272 348 L C 0.350 176.977 176.870 -0.405 0.000 1.182 348 L CA 0.251 54.849 54.840 -0.404 0.000 0.858 348 L CB 0.582 42.282 42.059 -0.599 0.000 1.120 348 L HN 0.290 nan 8.230 nan 0.000 0.474 349 E N 3.133 123.048 120.200 -0.475 0.000 2.129 349 E HA 0.329 4.684 4.350 0.009 0.000 0.268 349 E C -1.358 174.955 176.600 -0.478 0.000 0.900 349 E CA -0.395 55.798 56.400 -0.345 0.000 0.755 349 E CB 1.324 30.916 29.700 -0.179 0.000 1.117 349 E HN 0.271 nan 8.360 nan 0.000 0.410 350 F N 2.227 122.142 119.950 -0.059 0.000 2.309 350 F HA 0.083 4.616 4.527 0.010 0.000 0.366 350 F C 1.621 177.452 175.800 0.051 0.000 1.104 350 F CA -0.449 57.545 58.000 -0.009 0.000 1.179 350 F CB 0.862 39.838 39.000 -0.040 0.000 1.437 350 F HN 0.437 nan 8.300 nan 0.000 0.528 351 S N 1.355 117.151 115.700 0.162 0.000 2.442 351 S HA 0.091 4.567 4.470 0.009 0.000 0.236 351 S C 0.858 175.584 174.600 0.211 0.000 1.007 351 S CA 0.449 58.742 58.200 0.154 0.000 0.965 351 S CB -0.040 63.229 63.200 0.115 0.000 0.773 351 S HN 0.480 nan 8.310 nan 0.000 0.504 352 A N 0.309 123.303 122.820 0.290 0.000 2.332 352 A HA 0.842 5.168 4.320 0.009 0.000 0.300 352 A C -0.169 177.668 177.584 0.421 0.000 1.153 352 A CA -0.218 52.017 52.037 0.331 0.000 0.764 352 A CB 1.209 20.390 19.000 0.302 0.000 1.174 352 A HN 1.139 nan 8.150 nan 0.000 0.467 353 A N 4.026 127.054 122.820 0.347 0.000 3.306 353 A HA 0.567 4.892 4.320 0.009 0.000 0.236 353 A C -3.004 174.755 177.584 0.293 0.000 1.182 353 A CA -0.723 51.480 52.037 0.277 0.000 1.024 353 A CB 0.222 19.361 19.000 0.233 0.000 1.384 353 A HN 0.550 nan 8.150 nan 0.000 0.751 354 P HA 0.362 nan 4.420 nan 0.000 0.265 354 P C -0.657 176.717 177.300 0.122 0.000 1.193 354 P CA 0.589 63.706 63.100 0.029 0.000 0.765 354 P CB 0.131 31.805 31.700 -0.044 0.000 0.823 355 F N 0.177 120.106 119.950 -0.036 0.000 2.593 355 F HA 0.790 5.322 4.527 0.008 0.000 0.320 355 F C -0.580 175.144 175.800 -0.127 0.000 1.060 355 F CA -1.196 56.770 58.000 -0.056 0.000 0.940 355 F CB 1.718 40.559 39.000 -0.264 0.000 1.268 355 F HN 0.414 nan 8.300 nan 0.000 0.475 356 S N 0.228 116.002 115.700 0.124 0.000 2.556 356 S HA 0.925 5.400 4.470 0.009 0.000 0.271 356 S C -0.770 173.781 174.600 -0.081 0.000 1.135 356 S CA -0.178 58.020 58.200 -0.003 0.000 0.858 356 S CB 1.420 64.679 63.200 0.099 0.000 1.114 356 S HN 1.458 nan 8.310 nan 0.000 0.468 357 G N 0.077 108.776 108.800 -0.167 0.000 3.366 357 G HA2 0.750 4.715 3.960 0.009 0.000 0.179 357 G HA3 0.750 4.715 3.960 0.009 0.000 0.179 357 G C -1.611 173.260 174.900 -0.049 0.000 1.143 357 G CA -0.339 44.581 45.100 -0.301 0.000 0.810 357 G HN 1.204 nan 8.290 nan 0.000 0.697 358 W N -1.247 120.052 121.300 -0.002 0.000 3.127 358 W HA 0.792 5.456 4.660 0.007 0.000 0.330 358 W C -1.608 174.913 176.519 0.003 0.000 1.187 358 W CA -2.295 55.068 57.345 0.029 0.000 1.198 358 W CB 0.266 29.787 29.460 0.103 0.000 1.408 358 W HN 0.434 nan 8.180 nan 0.000 0.529 359 Y N 2.969 123.456 120.300 0.311 0.000 2.550 359 Y HA 0.164 4.719 4.550 0.009 0.000 0.343 359 Y C 0.943 176.912 175.900 0.115 0.000 1.245 359 Y CA -0.110 58.064 58.100 0.123 0.000 1.462 359 Y CB 0.785 39.232 38.460 -0.022 0.000 1.340 359 Y HN 0.514 nan 8.280 nan 0.000 0.604 360 M N 2.122 121.873 119.600 0.251 0.000 2.227 360 M HA 0.211 4.697 4.480 0.009 0.000 0.335 360 M C 0.991 177.298 176.300 0.012 0.000 1.053 360 M CA -0.396 54.983 55.300 0.130 0.000 0.973 360 M CB 1.242 33.898 32.600 0.093 0.000 1.623 360 M HN 0.852 nan 8.290 nan 0.000 0.434 361 S N 1.655 117.316 115.700 -0.065 0.000 2.399 361 S HA -0.248 4.228 4.470 0.009 0.000 0.235 361 S C 1.556 176.027 174.600 -0.214 0.000 1.063 361 S CA 2.493 60.580 58.200 -0.189 0.000 1.070 361 S CB -1.535 61.596 63.200 -0.115 0.000 0.904 361 S HN 0.935 nan 8.310 nan 0.000 0.456 362 T N -0.109 114.350 114.554 -0.159 0.000 2.881 362 T HA -0.047 4.309 4.350 0.009 0.000 0.270 362 T C 1.586 176.143 174.700 -0.237 0.000 1.068 362 T CA 1.282 63.239 62.100 -0.238 0.000 1.131 362 T CB -0.627 68.061 68.868 -0.298 0.000 0.871 362 T HN 0.616 nan 8.240 nan 0.000 0.479 363 E N 0.801 120.890 120.200 -0.184 0.000 2.058 363 E HA -0.069 4.286 4.350 0.009 0.000 0.194 363 E C 2.091 178.462 176.600 -0.380 0.000 0.997 363 E CA 1.580 57.882 56.400 -0.164 0.000 0.801 363 E CB -0.270 29.471 29.700 0.069 0.000 0.746 363 E HN 0.605 nan 8.360 nan 0.000 0.450 364 I N 0.053 120.261 120.570 -0.603 0.000 2.270 364 I HA -0.070 4.105 4.170 0.009 0.000 0.239 364 I C 2.603 178.361 176.117 -0.598 0.000 1.080 364 I CA 0.907 61.650 61.300 -0.929 0.000 1.383 364 I CB -0.557 36.777 38.000 -1.110 0.000 1.097 364 I HN 0.125 nan 8.210 nan 0.000 0.420 365 G N 0.113 108.664 108.800 -0.415 0.000 2.422 365 G HA2 -0.185 3.780 3.960 0.009 0.000 0.218 365 G HA3 -0.185 3.780 3.960 0.009 0.000 0.218 365 G C 1.614 176.393 174.900 -0.202 0.000 1.146 365 G CA 1.625 46.571 45.100 -0.257 0.000 0.769 365 G HN 0.310 nan 8.290 nan 0.000 0.547 366 T N -0.583 113.833 114.554 -0.230 0.000 3.071 366 T HA 0.131 4.486 4.350 0.009 0.000 0.239 366 T C 2.501 177.092 174.700 -0.180 0.000 0.997 366 T CA 0.086 62.073 62.100 -0.189 0.000 1.134 366 T CB 0.202 68.942 68.868 -0.213 0.000 0.928 366 T HN 0.022 nan 8.240 nan 0.000 0.453 367 R N 1.975 122.349 120.500 -0.211 0.000 2.052 367 R HA 0.208 4.553 4.340 0.009 0.000 0.224 367 R C 2.130 178.317 176.300 -0.188 0.000 1.149 367 R CA 0.930 56.916 56.100 -0.189 0.000 0.962 367 R CB -1.090 29.105 30.300 -0.174 0.000 0.856 367 R HN 0.284 nan 8.270 nan 0.000 0.433 368 N N 1.106 119.644 118.700 -0.269 0.000 2.084 368 N HA -0.085 4.660 4.740 0.009 0.000 0.190 368 N C 1.943 177.373 175.510 -0.133 0.000 1.030 368 N CA 1.134 54.015 53.050 -0.281 0.000 0.849 368 N CB -0.214 37.760 38.487 -0.856 0.000 1.012 368 N HN 0.178 nan 8.380 nan 0.000 0.423 369 L N -0.810 120.289 121.223 -0.206 0.000 2.375 369 L HA 0.088 4.433 4.340 0.009 0.000 0.215 369 L C 1.290 178.189 176.870 0.047 0.000 1.108 369 L CA 0.356 55.176 54.840 -0.033 0.000 0.830 369 L CB 0.203 42.221 42.059 -0.069 0.000 0.959 369 L HN 0.164 nan 8.230 nan 0.000 0.457 370 C N -1.707 117.578 119.300 -0.026 0.000 3.230 370 C HA 0.189 4.654 4.460 0.009 0.000 0.300 370 C C 0.726 175.692 174.990 -0.041 0.000 1.292 370 C CA -0.909 58.103 59.018 -0.010 0.000 1.707 370 C CB -0.216 27.507 27.740 -0.028 0.000 2.181 370 C HN 0.288 nan 8.230 nan 0.000 0.655 371 D N 2.501 122.838 120.400 -0.105 0.000 2.449 371 D HA 0.073 4.718 4.640 0.009 0.000 0.236 371 D C -1.430 174.802 176.300 -0.114 0.000 1.149 371 D CA -1.063 52.830 54.000 -0.178 0.000 0.878 371 D CB 0.598 41.120 40.800 -0.463 0.000 1.198 371 D HN 0.115 nan 8.370 nan 0.000 0.446 372 P HA -0.130 nan 4.420 nan 0.000 0.218 372 P C 0.669 178.036 177.300 0.112 0.000 1.148 372 P CA 1.255 64.412 63.100 0.096 0.000 0.822 372 P CB 0.002 31.796 31.700 0.156 0.000 0.784 373 H N -2.579 116.503 119.070 0.020 0.000 2.519 373 H HA 0.352 4.914 4.556 0.009 0.000 0.289 373 H C 0.820 176.161 175.328 0.022 0.000 1.040 373 H CA -0.088 55.970 56.048 0.017 0.000 1.165 373 H CB -0.038 29.733 29.762 0.016 0.000 1.462 373 H HN -0.004 nan 8.280 nan 0.000 0.555 374 R N -0.229 120.179 120.500 -0.152 0.000 3.066 374 R HA 0.174 4.519 4.340 0.009 0.000 0.143 374 R C 1.091 177.364 176.300 -0.045 0.000 1.187 374 R CA -0.768 55.292 56.100 -0.067 0.000 0.722 374 R CB -0.819 29.467 30.300 -0.024 0.000 1.366 374 R HN 0.068 nan 8.270 nan 0.000 0.421 375 Y N 1.629 121.943 120.300 0.023 0.000 2.403 375 Y HA -0.066 4.489 4.550 0.009 0.000 0.291 375 Y C 0.766 176.686 175.900 0.034 0.000 1.143 375 Y CA 1.411 59.537 58.100 0.043 0.000 1.257 375 Y CB -0.400 38.124 38.460 0.106 0.000 0.984 375 Y HN 0.574 nan 8.280 nan 0.000 0.550 376 N N 0.761 119.544 118.700 0.139 0.000 2.688 376 N HA -0.227 4.519 4.740 0.009 0.000 0.258 376 N C 0.601 176.189 175.510 0.130 0.000 1.016 376 N CA 0.307 53.417 53.050 0.099 0.000 0.747 376 N CB -0.972 37.555 38.487 0.065 0.000 0.895 376 N HN 0.626 nan 8.380 nan 0.000 0.543 377 I N -2.902 117.762 120.570 0.156 0.000 3.793 377 I HA 0.005 4.181 4.170 0.009 0.000 0.315 377 I C 1.752 177.967 176.117 0.163 0.000 1.275 377 I CA -0.317 61.077 61.300 0.156 0.000 1.214 377 I CB -0.012 38.089 38.000 0.169 0.000 1.018 377 I HN 0.138 nan 8.210 nan 0.000 0.439 378 L N 1.886 123.211 121.223 0.170 0.000 1.978 378 L HA -0.279 4.066 4.340 0.009 0.000 0.218 378 L C 2.637 179.707 176.870 0.334 0.000 1.075 378 L CA 2.323 57.297 54.840 0.223 0.000 0.767 378 L CB -0.990 41.170 42.059 0.168 0.000 0.890 378 L HN 0.495 nan 8.230 nan 0.000 0.434 379 E N -1.033 119.367 120.200 0.333 0.000 2.085 379 E HA -0.245 4.110 4.350 0.009 0.000 0.194 379 E C 1.744 178.389 176.600 0.075 0.000 0.994 379 E CA 1.463 57.993 56.400 0.216 0.000 0.801 379 E CB -0.003 29.762 29.700 0.108 0.000 0.743 379 E HN 0.544 nan 8.360 nan 0.000 0.453 380 D N -0.003 120.442 120.400 0.075 0.000 2.117 380 D HA -0.145 4.500 4.640 0.009 0.000 0.197 380 D C 2.071 178.383 176.300 0.020 0.000 0.987 380 D CA 0.969 54.982 54.000 0.022 0.000 0.829 380 D CB -0.178 40.642 40.800 0.033 0.000 0.961 380 D HN 0.141 nan 8.370 nan 0.000 0.460 381 V N 1.446 121.430 119.914 0.116 0.000 2.379 381 V HA -0.166 3.960 4.120 0.009 0.000 0.245 381 V C 2.544 178.742 176.094 0.172 0.000 1.044 381 V CA 1.603 64.026 62.300 0.206 0.000 1.036 381 V CB -0.679 31.347 31.823 0.339 0.000 0.664 381 V HN 0.170 nan 8.190 nan 0.000 0.453 382 A N -0.295 122.633 122.820 0.181 0.000 1.930 382 A HA -0.132 4.193 4.320 0.009 0.000 0.217 382 A C 2.380 179.952 177.584 -0.020 0.000 1.175 382 A CA 1.840 53.975 52.037 0.165 0.000 0.627 382 A CB -0.563 18.641 19.000 0.340 0.000 0.815 382 A HN 0.329 nan 8.150 nan 0.000 0.443 383 V N -0.869 118.986 119.914 -0.099 0.000 2.358 383 V HA -0.302 3.823 4.120 0.009 0.000 0.246 383 V C 2.587 178.533 176.094 -0.247 0.000 1.047 383 V CA 2.048 64.243 62.300 -0.174 0.000 1.035 383 V CB -0.937 30.785 31.823 -0.168 0.000 0.658 383 V HN 0.712 nan 8.190 nan 0.000 0.452 384 C N -0.435 118.651 119.300 -0.356 0.000 2.432 384 C HA -0.104 4.362 4.460 0.009 0.000 0.280 384 C C 2.614 177.163 174.990 -0.736 0.000 1.353 384 C CA 0.850 59.400 59.018 -0.781 0.000 1.766 384 C CB -1.030 25.897 27.740 -1.356 0.000 1.924 384 C HN 0.526 nan 8.230 nan 0.000 0.509 385 M N 0.050 119.493 119.600 -0.262 0.000 2.618 385 M HA 0.030 4.516 4.480 0.009 0.000 0.240 385 M C 0.532 176.816 176.300 -0.027 0.000 1.123 385 M CA 0.907 56.221 55.300 0.023 0.000 1.060 385 M CB -0.385 32.334 32.600 0.197 0.000 1.535 385 M HN 0.259 nan 8.290 nan 0.000 0.507 386 D N 1.406 121.740 120.400 -0.109 0.000 2.716 386 D HA -0.145 4.501 4.640 0.009 0.000 0.239 386 D C -1.019 175.254 176.300 -0.046 0.000 1.125 386 D CA 0.427 54.372 54.000 -0.092 0.000 0.681 386 D CB -0.958 39.796 40.800 -0.077 0.000 1.070 386 D HN 0.301 nan 8.370 nan 0.000 0.432 387 L N 0.040 121.241 121.223 -0.036 0.000 2.379 387 L HA 0.395 4.740 4.340 0.009 0.000 0.269 387 L C 0.847 177.665 176.870 -0.086 0.000 1.084 387 L CA -0.900 53.942 54.840 0.003 0.000 0.802 387 L CB 0.894 43.022 42.059 0.114 0.000 1.175 387 L HN 0.035 nan 8.230 nan 0.000 0.448 388 D N 0.696 121.065 120.400 -0.052 0.000 2.416 388 D HA 0.001 4.647 4.640 0.009 0.000 0.240 388 D C 0.964 177.093 176.300 -0.285 0.000 1.250 388 D CA -0.225 53.706 54.000 -0.116 0.000 0.967 388 D CB 0.697 41.480 40.800 -0.028 0.000 1.059 388 D HN 0.578 nan 8.370 nan 0.000 0.512 389 T N 0.790 114.987 114.554 -0.595 0.000 3.272 389 T HA 0.134 4.489 4.350 0.009 0.000 0.250 389 T C 1.107 175.419 174.700 -0.648 0.000 1.082 389 T CA -0.141 61.169 62.100 -1.316 0.000 0.968 389 T CB -0.104 67.879 68.868 -1.474 0.000 1.015 389 T HN 0.255 nan 8.240 nan 0.000 0.563 390 R N 0.260 120.598 120.500 -0.270 0.000 2.397 390 R HA 0.309 4.654 4.340 0.009 0.000 0.241 390 R C 0.384 176.699 176.300 0.025 0.000 0.914 390 R CA -0.048 55.995 56.100 -0.095 0.000 1.071 390 R CB 0.784 31.035 30.300 -0.081 0.000 1.116 390 R HN 0.306 nan 8.270 nan 0.000 0.524 391 T N -0.578 114.036 114.554 0.100 0.000 2.991 391 T HA 0.092 4.448 4.350 0.009 0.000 0.303 391 T C 1.128 175.998 174.700 0.284 0.000 1.015 391 T CA -0.515 61.678 62.100 0.154 0.000 1.007 391 T CB 1.436 70.361 68.868 0.095 0.000 1.034 391 T HN 0.238 nan 8.240 nan 0.000 0.446 392 T N 1.587 116.274 114.554 0.222 0.000 2.720 392 T HA -0.138 4.217 4.350 0.009 0.000 0.268 392 T C 2.078 176.839 174.700 0.103 0.000 1.037 392 T CA 1.828 64.023 62.100 0.160 0.000 1.144 392 T CB -0.757 68.155 68.868 0.073 0.000 0.864 392 T HN 0.706 nan 8.240 nan 0.000 0.444 393 S N 2.127 117.883 115.700 0.094 0.000 2.584 393 S HA -0.055 4.421 4.470 0.009 0.000 0.240 393 S C 2.013 176.662 174.600 0.082 0.000 0.975 393 S CA 0.778 59.018 58.200 0.066 0.000 0.949 393 S CB -0.865 62.367 63.200 0.053 0.000 0.761 393 S HN 0.806 nan 8.310 nan 0.000 0.536 394 S N 1.385 117.170 115.700 0.143 0.000 2.593 394 S HA 0.278 4.753 4.470 0.009 0.000 0.217 394 S C 0.850 175.534 174.600 0.140 0.000 0.966 394 S CA -0.184 58.108 58.200 0.152 0.000 0.914 394 S CB -0.907 62.416 63.200 0.206 0.000 0.776 394 S HN 0.548 nan 8.310 nan 0.000 0.523 395 L N 1.254 122.523 121.223 0.077 0.000 3.678 395 L HA -0.180 4.165 4.340 0.009 0.000 0.425 395 L C 1.636 178.510 176.870 0.007 0.000 1.240 395 L CA 0.686 55.512 54.840 -0.024 0.000 0.876 395 L CB -2.301 39.754 42.059 -0.007 0.000 1.766 395 L HN 0.743 nan 8.230 nan 0.000 0.917 396 W N -0.192 121.119 121.300 0.019 0.000 2.402 396 W HA -0.116 4.549 4.660 0.009 0.000 0.286 396 W C 1.726 178.264 176.519 0.030 0.000 1.221 396 W CA 1.159 58.518 57.345 0.025 0.000 1.257 396 W CB -0.638 28.833 29.460 0.019 0.000 1.120 396 W HN 0.281 nan 8.180 nan 0.000 0.551 397 K N 1.151 121.096 120.400 -0.759 0.000 2.025 397 K HA -0.155 4.171 4.320 0.009 0.000 0.207 397 K C 1.545 178.001 176.600 -0.240 0.000 1.049 397 K CA 2.340 58.229 56.287 -0.662 0.000 0.933 397 K CB -0.371 31.599 32.500 -0.884 0.000 0.714 397 K HN 0.035 nan 8.250 nan 0.000 0.438 398 D N 0.737 121.018 120.400 -0.199 0.000 2.117 398 D HA -0.142 4.504 4.640 0.009 0.000 0.197 398 D C 1.682 177.969 176.300 -0.021 0.000 0.987 398 D CA 1.269 55.212 54.000 -0.096 0.000 0.829 398 D CB 0.033 40.786 40.800 -0.077 0.000 0.961 398 D HN 0.120 nan 8.370 nan 0.000 0.460 399 K N 0.402 120.815 120.400 0.023 0.000 2.026 399 K HA -0.018 4.308 4.320 0.009 0.000 0.208 399 K C 2.211 178.874 176.600 0.106 0.000 1.048 399 K CA 1.148 57.480 56.287 0.075 0.000 0.929 399 K CB -0.148 32.418 32.500 0.110 0.000 0.713 399 K HN 0.095 nan 8.250 nan 0.000 0.439 400 A N 1.365 124.268 122.820 0.138 0.000 1.969 400 A HA -0.053 4.273 4.320 0.009 0.000 0.218 400 A C 2.323 179.989 177.584 0.136 0.000 1.169 400 A CA 1.633 53.782 52.037 0.187 0.000 0.635 400 A CB -0.535 18.617 19.000 0.253 0.000 0.810 400 A HN 0.327 nan 8.150 nan 0.000 0.445 401 A N -0.490 122.366 122.820 0.060 0.000 1.930 401 A HA 0.037 4.363 4.320 0.009 0.000 0.217 401 A C 2.216 179.807 177.584 0.011 0.000 1.175 401 A CA 1.674 53.720 52.037 0.015 0.000 0.627 401 A CB -0.836 18.136 19.000 -0.048 0.000 0.815 401 A HN 0.329 nan 8.150 nan 0.000 0.443 402 V N 0.380 120.308 119.914 0.024 0.000 2.237 402 V HA -0.228 3.897 4.120 0.009 0.000 0.245 402 V C 2.598 178.717 176.094 0.042 0.000 1.046 402 V CA 2.199 64.517 62.300 0.031 0.000 1.007 402 V CB -0.756 31.094 31.823 0.046 0.000 0.638 402 V HN 0.516 nan 8.190 nan 0.000 0.445 403 E N -0.041 120.209 120.200 0.085 0.000 2.118 403 E HA -0.202 4.154 4.350 0.009 0.000 0.195 403 E C 2.093 178.711 176.600 0.028 0.000 0.992 403 E CA 1.469 57.943 56.400 0.123 0.000 0.804 403 E CB -0.423 29.366 29.700 0.148 0.000 0.741 403 E HN 0.602 nan 8.360 nan 0.000 0.458 404 I N 1.411 122.020 120.570 0.065 0.000 2.226 404 I HA -0.254 3.921 4.170 0.009 0.000 0.245 404 I C 2.164 178.242 176.117 -0.066 0.000 1.100 404 I CA 0.847 62.176 61.300 0.049 0.000 1.374 404 I CB -0.314 37.795 38.000 0.181 0.000 1.057 404 I HN 0.083 nan 8.210 nan 0.000 0.413 405 N N 0.696 119.360 118.700 -0.059 0.000 2.188 405 N HA -0.167 4.579 4.740 0.009 0.000 0.184 405 N C 1.904 177.356 175.510 -0.096 0.000 1.018 405 N CA 1.142 54.138 53.050 -0.089 0.000 0.858 405 N CB -0.132 38.313 38.487 -0.070 0.000 0.989 405 N HN 0.194 nan 8.380 nan 0.000 0.426 406 L N 1.625 122.785 121.223 -0.105 0.000 2.046 406 L HA -0.053 4.292 4.340 0.009 0.000 0.208 406 L C 2.269 178.990 176.870 -0.248 0.000 1.077 406 L CA 1.452 56.194 54.840 -0.163 0.000 0.747 406 L CB -0.941 40.993 42.059 -0.208 0.000 0.896 406 L HN 0.055 nan 8.230 nan 0.000 0.432 407 A N -1.147 121.461 122.820 -0.353 0.000 1.883 407 A HA -0.179 4.146 4.320 0.009 0.000 0.217 407 A C 2.291 179.796 177.584 -0.133 0.000 1.186 407 A CA 2.162 53.955 52.037 -0.407 0.000 0.624 407 A CB -1.165 17.311 19.000 -0.874 0.000 0.822 407 A HN 0.303 nan 8.150 nan 0.000 0.444 408 V N 0.018 119.869 119.914 -0.106 0.000 2.287 408 V HA -0.279 3.846 4.120 0.009 0.000 0.248 408 V C 2.595 178.679 176.094 -0.017 0.000 1.053 408 V CA 2.054 64.329 62.300 -0.043 0.000 1.027 408 V CB -0.785 30.923 31.823 -0.192 0.000 0.646 408 V HN 0.574 nan 8.190 nan 0.000 0.447 409 L N -0.523 120.655 121.223 -0.075 0.000 1.989 409 L HA -0.257 4.088 4.340 0.009 0.000 0.211 409 L C 2.642 179.535 176.870 0.038 0.000 1.071 409 L CA 2.366 57.182 54.840 -0.041 0.000 0.749 409 L CB -0.848 41.188 42.059 -0.039 0.000 0.890 409 L HN 0.493 nan 8.230 nan 0.000 0.431 410 H N -0.507 118.517 119.070 -0.076 0.000 2.352 410 H HA -0.155 4.406 4.556 0.009 0.000 0.299 410 H C 2.285 177.604 175.328 -0.015 0.000 1.097 410 H CA 1.968 57.967 56.048 -0.082 0.000 1.311 410 H CB 0.046 29.692 29.762 -0.193 0.000 1.377 410 H HN 0.163 nan 8.280 nan 0.000 0.504 411 S N -0.775 114.886 115.700 -0.064 0.000 2.406 411 S HA -0.058 4.418 4.470 0.009 0.000 0.228 411 S C 1.804 176.388 174.600 -0.027 0.000 1.020 411 S CA 1.016 59.174 58.200 -0.070 0.000 0.965 411 S CB -0.277 62.978 63.200 0.091 0.000 0.798 411 S HN 0.400 nan 8.310 nan 0.000 0.488 412 F N 1.735 121.613 119.950 -0.119 0.000 2.187 412 F HA -0.037 4.495 4.527 0.008 0.000 0.295 412 F C 2.703 178.442 175.800 -0.101 0.000 1.091 412 F CA 0.707 58.662 58.000 -0.075 0.000 1.308 412 F CB -0.224 38.756 39.000 -0.033 0.000 1.030 412 F HN 0.145 nan 8.300 nan 0.000 0.487 413 Q N 0.301 120.134 119.800 0.055 0.000 2.084 413 Q HA -0.214 4.131 4.340 0.009 0.000 0.202 413 Q C 2.300 178.239 176.000 -0.102 0.000 0.978 413 Q CA 1.474 57.258 55.803 -0.031 0.000 0.844 413 Q CB -0.337 28.375 28.738 -0.044 0.000 0.898 413 Q HN 0.463 nan 8.270 nan 0.000 0.426 414 L N -0.018 121.085 121.223 -0.200 0.000 2.046 414 L HA -0.174 4.171 4.340 0.009 0.000 0.208 414 L C 2.097 178.881 176.870 -0.143 0.000 1.077 414 L CA 1.061 55.776 54.840 -0.209 0.000 0.747 414 L CB -0.296 41.566 42.059 -0.329 0.000 0.896 414 L HN 0.222 nan 8.230 nan 0.000 0.432 415 A N -1.454 121.273 122.820 -0.154 0.000 2.235 415 A HA -0.068 4.257 4.320 0.009 0.000 0.208 415 A C 0.696 178.211 177.584 -0.116 0.000 1.172 415 A CA 0.096 52.044 52.037 -0.148 0.000 0.786 415 A CB -0.063 18.801 19.000 -0.226 0.000 0.804 415 A HN 0.362 nan 8.150 nan 0.000 0.479 416 K N -1.059 119.288 120.400 -0.088 0.000 3.148 416 K HA -0.133 4.192 4.320 0.009 0.000 0.267 416 K C -0.618 175.950 176.600 -0.054 0.000 0.996 416 K CA 0.779 57.029 56.287 -0.062 0.000 0.737 416 K CB -2.743 29.721 32.500 -0.060 0.000 1.308 416 K HN 0.299 nan 8.250 nan 0.000 0.470 417 V N 0.929 120.821 119.914 -0.037 0.000 2.495 417 V HA 0.209 4.334 4.120 0.009 0.000 0.298 417 V C 0.810 176.986 176.094 0.137 0.000 1.031 417 V CA -0.777 61.528 62.300 0.008 0.000 0.871 417 V CB 2.081 33.830 31.823 -0.124 0.000 0.988 417 V HN 0.321 nan 8.190 nan 0.000 0.432 418 T N 6.247 120.845 114.554 0.074 0.000 2.933 418 T HA 0.395 4.750 4.350 0.009 0.000 0.306 418 T C -0.228 174.548 174.700 0.127 0.000 1.045 418 T CA 0.931 63.011 62.100 -0.034 0.000 1.143 418 T CB 0.076 68.794 68.868 -0.250 0.000 1.003 418 T HN 0.600 nan 8.240 nan 0.000 0.540 419 I N 1.939 122.509 120.570 -0.001 0.000 2.897 419 I HA 0.582 4.757 4.170 0.009 0.000 0.299 419 I C -1.795 174.339 176.117 0.028 0.000 1.527 419 I CA -0.899 60.443 61.300 0.070 0.000 0.979 419 I CB 1.806 39.783 38.000 -0.038 0.000 1.360 419 I HN 0.460 nan 8.210 nan 0.000 0.495 420 V N 4.853 124.838 119.914 0.118 0.000 2.686 420 V HA 0.471 4.596 4.120 0.009 0.000 0.306 420 V C -1.203 174.934 176.094 0.072 0.000 1.065 420 V CA -0.270 62.097 62.300 0.112 0.000 0.894 420 V CB 2.193 34.159 31.823 0.239 0.000 1.004 420 V HN 0.879 nan 8.190 nan 0.000 0.424 421 D N 4.181 124.599 120.400 0.030 0.000 2.358 421 D HA 0.152 4.797 4.640 0.009 0.000 0.244 421 D C 1.308 177.586 176.300 -0.036 0.000 1.163 421 D CA 0.232 54.232 54.000 -0.001 0.000 0.945 421 D CB 0.443 41.211 40.800 -0.054 0.000 1.152 421 D HN 0.744 nan 8.370 nan 0.000 0.451 422 H N 0.023 119.011 119.070 -0.137 0.000 2.489 422 H HA -0.145 4.416 4.556 0.009 0.000 0.293 422 H C 0.877 176.080 175.328 -0.209 0.000 1.066 422 H CA 1.315 57.243 56.048 -0.200 0.000 1.305 422 H CB -0.526 29.061 29.762 -0.292 0.000 1.386 422 H HN 0.530 nan 8.280 nan 0.000 0.551 423 H N 1.055 119.921 119.070 -0.341 0.000 2.317 423 H HA 0.190 4.751 4.556 0.009 0.000 0.304 423 H C 2.558 177.858 175.328 -0.047 0.000 1.067 423 H CA 1.189 57.132 56.048 -0.174 0.000 1.352 423 H CB -0.340 29.288 29.762 -0.223 0.000 1.398 423 H HN 0.476 nan 8.280 nan 0.000 0.510 424 A N 1.689 124.555 122.820 0.078 0.000 1.883 424 A HA -0.152 4.173 4.320 0.009 0.000 0.217 424 A C 2.706 180.355 177.584 0.107 0.000 1.186 424 A CA 2.054 54.141 52.037 0.083 0.000 0.624 424 A CB -0.979 18.061 19.000 0.065 0.000 0.822 424 A HN 0.439 nan 8.150 nan 0.000 0.444 425 A N -0.207 122.674 122.820 0.103 0.000 1.873 425 A HA -0.185 4.140 4.320 0.009 0.000 0.218 425 A C 2.487 180.165 177.584 0.157 0.000 1.193 425 A CA 3.062 55.181 52.037 0.136 0.000 0.629 425 A CB -1.643 17.424 19.000 0.112 0.000 0.826 425 A HN 0.842 nan 8.150 nan 0.000 0.447 426 T N -2.545 112.083 114.554 0.123 0.000 2.833 426 T HA -0.091 4.264 4.350 0.009 0.000 0.269 426 T C 1.684 176.514 174.700 0.218 0.000 1.054 426 T CA 1.398 63.599 62.100 0.168 0.000 1.135 426 T CB -0.783 68.150 68.868 0.110 0.000 0.869 426 T HN 0.065 nan 8.240 nan 0.000 0.466 427 V N 2.768 122.782 119.914 0.167 0.000 2.343 427 V HA -0.177 3.948 4.120 0.009 0.000 0.247 427 V C 3.194 179.378 176.094 0.150 0.000 1.051 427 V CA 2.163 64.552 62.300 0.148 0.000 1.036 427 V CB -0.920 30.971 31.823 0.113 0.000 0.654 427 V HN 0.809 nan 8.190 nan 0.000 0.451 428 S N -0.534 115.262 115.700 0.161 0.000 2.423 428 S HA -0.184 4.291 4.470 0.009 0.000 0.231 428 S C 1.916 176.627 174.600 0.185 0.000 1.014 428 S CA 1.328 59.620 58.200 0.154 0.000 0.965 428 S CB -0.669 62.626 63.200 0.158 0.000 0.785 428 S HN 0.526 nan 8.310 nan 0.000 0.495 429 F N 1.939 121.950 119.950 0.103 0.000 2.325 429 F HA 0.197 4.729 4.527 0.008 0.000 0.299 429 F C 2.151 178.038 175.800 0.146 0.000 1.090 429 F CA 0.914 58.988 58.000 0.122 0.000 1.392 429 F CB -0.264 38.787 39.000 0.085 0.000 1.053 429 F HN 0.112 nan 8.300 nan 0.000 0.521 430 M N 0.051 119.716 119.600 0.108 0.000 2.229 430 M HA -0.131 4.355 4.480 0.009 0.000 0.264 430 M C 2.161 178.438 176.300 -0.038 0.000 1.063 430 M CA 1.307 56.627 55.300 0.035 0.000 1.114 430 M CB -1.067 31.600 32.600 0.111 0.000 1.387 430 M HN 0.074 nan 8.290 nan 0.000 0.420 431 K N -0.190 120.212 120.400 0.003 0.000 2.057 431 K HA -0.190 4.135 4.320 0.009 0.000 0.206 431 K C 1.953 178.529 176.600 -0.039 0.000 1.050 431 K CA 1.737 58.024 56.287 -0.000 0.000 0.935 431 K CB -0.645 31.879 32.500 0.040 0.000 0.715 431 K HN 0.373 nan 8.250 nan 0.000 0.439 432 H N -0.023 118.945 119.070 -0.170 0.000 2.387 432 H HA 0.030 4.591 4.556 0.009 0.000 0.299 432 H C 1.696 176.852 175.328 -0.287 0.000 1.090 432 H CA 2.051 57.971 56.048 -0.215 0.000 1.332 432 H CB -0.114 29.479 29.762 -0.281 0.000 1.386 432 H HN 0.172 nan 8.280 nan 0.000 0.516 433 L N -0.237 120.702 121.223 -0.473 0.000 2.083 433 L HA -0.150 4.195 4.340 0.009 0.000 0.209 433 L C 2.229 178.944 176.870 -0.257 0.000 1.083 433 L CA 1.795 56.388 54.840 -0.412 0.000 0.752 433 L CB -0.395 41.486 42.059 -0.297 0.000 0.899 433 L HN 0.406 nan 8.230 nan 0.000 0.433 434 D N -0.195 120.097 120.400 -0.180 0.000 2.117 434 D HA -0.179 4.466 4.640 0.009 0.000 0.198 434 D C 1.907 178.133 176.300 -0.123 0.000 0.982 434 D CA 1.114 55.046 54.000 -0.113 0.000 0.828 434 D CB 0.122 40.882 40.800 -0.066 0.000 0.967 434 D HN 0.135 nan 8.370 nan 0.000 0.464 435 N N 0.585 119.198 118.700 -0.145 0.000 2.069 435 N HA -0.138 4.607 4.740 0.009 0.000 0.191 435 N C 1.607 177.027 175.510 -0.150 0.000 1.031 435 N CA 0.930 53.911 53.050 -0.114 0.000 0.852 435 N CB -0.320 38.121 38.487 -0.075 0.000 1.018 435 N HN 0.330 nan 8.380 nan 0.000 0.423 436 E N 0.634 120.664 120.200 -0.283 0.000 2.150 436 E HA -0.153 4.203 4.350 0.009 0.000 0.193 436 E C 1.883 178.385 176.600 -0.162 0.000 0.985 436 E CA 0.534 56.772 56.400 -0.270 0.000 0.814 436 E CB -0.120 29.311 29.700 -0.448 0.000 0.752 436 E HN 0.341 nan 8.360 nan 0.000 0.466 437 Q N 1.544 121.258 119.800 -0.142 0.000 2.050 437 Q HA -0.130 4.215 4.340 0.009 0.000 0.202 437 Q C 1.824 177.779 176.000 -0.075 0.000 0.980 437 Q CA 1.724 57.473 55.803 -0.090 0.000 0.840 437 Q CB 0.030 28.723 28.738 -0.074 0.000 0.898 437 Q HN 0.145 nan 8.270 nan 0.000 0.424 438 K N -0.727 119.631 120.400 -0.071 0.000 2.025 438 K HA -0.001 4.324 4.320 0.009 0.000 0.207 438 K C 2.026 178.597 176.600 -0.049 0.000 1.049 438 K CA 1.124 57.379 56.287 -0.053 0.000 0.933 438 K CB -0.211 32.263 32.500 -0.044 0.000 0.714 438 K HN 0.235 nan 8.250 nan 0.000 0.438 439 A N 1.190 123.980 122.820 -0.050 0.000 2.016 439 A HA -0.046 4.280 4.320 0.009 0.000 0.217 439 A C 1.719 179.278 177.584 -0.042 0.000 1.162 439 A CA 1.015 53.032 52.037 -0.032 0.000 0.662 439 A CB 0.031 19.027 19.000 -0.006 0.000 0.812 439 A HN 0.183 nan 8.150 nan 0.000 0.450 440 R N -2.842 117.621 120.500 -0.062 0.000 2.539 440 R HA 0.236 4.581 4.340 0.009 0.000 0.342 440 R C 0.830 177.095 176.300 -0.059 0.000 0.941 440 R CA 0.517 56.583 56.100 -0.056 0.000 1.146 440 R CB 0.668 30.930 30.300 -0.063 0.000 1.541 440 R HN 0.676 nan 8.270 nan 0.000 0.525 441 G N 0.995 109.752 108.800 -0.070 0.000 2.137 441 G HA2 -0.178 3.787 3.960 0.009 0.000 0.237 441 G HA3 -0.178 3.787 3.960 0.009 0.000 0.237 441 G C 0.226 175.094 174.900 -0.054 0.000 1.002 441 G CA 0.146 45.196 45.100 -0.084 0.000 0.702 441 G HN 0.736 nan 8.290 nan 0.000 0.515 442 G N -2.413 106.368 108.800 -0.032 0.000 2.359 442 G HA2 0.539 4.504 3.960 0.009 0.000 0.293 442 G HA3 0.539 4.504 3.960 0.009 0.000 0.293 442 G C -0.809 174.099 174.900 0.013 0.000 1.300 442 G CA 0.448 45.562 45.100 0.023 0.000 0.888 442 G HN 1.984 nan 8.290 nan 0.000 0.541 443 C N 1.870 121.208 119.300 0.062 0.000 2.817 443 C HA 0.702 5.167 4.460 0.009 0.000 0.385 443 C C -2.568 172.411 174.990 -0.018 0.000 1.050 443 C CA -1.086 57.927 59.018 -0.009 0.000 1.245 443 C CB 1.257 28.945 27.740 -0.088 0.000 1.706 443 C HN 0.725 nan 8.230 nan 0.000 0.488 444 P HA 0.401 nan 4.420 nan 0.000 0.267 444 P C -0.653 176.551 177.300 -0.160 0.000 1.209 444 P CA 0.582 63.335 63.100 -0.578 0.000 0.763 444 P CB 1.036 32.141 31.700 -0.991 0.000 0.816 445 A N 2.713 125.507 122.820 -0.042 0.000 2.488 445 A HA 0.391 4.717 4.320 0.009 0.000 0.298 445 A C -0.998 176.640 177.584 0.089 0.000 1.044 445 A CA -0.570 51.519 52.037 0.085 0.000 0.693 445 A CB 1.285 20.440 19.000 0.257 0.000 1.272 445 A HN 0.440 nan 8.150 nan 0.000 0.402 446 D N 2.127 122.566 120.400 0.064 0.000 2.456 446 D HA 0.135 4.781 4.640 0.009 0.000 0.219 446 D C 0.853 177.286 176.300 0.221 0.000 1.126 446 D CA -0.443 53.633 54.000 0.126 0.000 0.890 446 D CB 0.328 41.139 40.800 0.019 0.000 1.025 446 D HN 0.598 nan 8.370 nan 0.000 0.511 447 W N 4.320 125.665 121.300 0.076 0.000 2.290 447 W HA -0.360 4.306 4.660 0.009 0.000 0.328 447 W C 2.085 178.644 176.519 0.066 0.000 1.272 447 W CA 2.855 60.229 57.345 0.049 0.000 1.262 447 W CB -0.232 29.233 29.460 0.008 0.000 1.151 447 W HN 0.553 nan 8.180 nan 0.000 0.473 448 A N -1.104 121.991 122.820 0.459 0.000 1.986 448 A HA -0.251 4.074 4.320 0.009 0.000 0.220 448 A C 1.565 179.178 177.584 0.047 0.000 1.171 448 A CA 1.915 54.114 52.037 0.270 0.000 0.640 448 A CB -1.453 17.739 19.000 0.320 0.000 0.811 448 A HN 0.573 nan 8.150 nan 0.000 0.451 449 W N -0.880 120.387 121.300 -0.055 0.000 2.640 449 W HA 0.162 4.827 4.660 0.009 0.000 0.268 449 W C 1.866 178.266 176.519 -0.198 0.000 1.263 449 W CA 0.021 57.309 57.345 -0.094 0.000 1.344 449 W CB -0.083 29.351 29.460 -0.043 0.000 1.093 449 W HN 0.162 nan 8.180 nan 0.000 0.603 450 I N -0.391 120.129 120.570 -0.085 0.000 2.406 450 I HA -0.049 4.127 4.170 0.009 0.000 0.249 450 I C 0.698 176.603 176.117 -0.352 0.000 1.122 450 I CA 0.687 61.808 61.300 -0.300 0.000 1.431 450 I CB -1.395 36.354 38.000 -0.418 0.000 1.087 450 I HN -0.406 nan 8.210 nan 0.000 0.424 451 V N 3.843 123.460 119.914 -0.494 0.000 2.572 451 V HA 0.095 4.221 4.120 0.009 0.000 0.291 451 V C -1.934 173.982 176.094 -0.296 0.000 1.039 451 V CA -1.033 60.979 62.300 -0.480 0.000 1.055 451 V CB 0.342 31.650 31.823 -0.859 0.000 0.969 451 V HN 0.122 nan 8.190 nan 0.000 0.482 452 P HA 0.162 nan 4.420 nan 0.000 0.272 452 P C -1.854 175.319 177.300 -0.212 0.000 1.223 452 P CA -1.283 61.697 63.100 -0.200 0.000 0.784 452 P CB 0.050 31.642 31.700 -0.180 0.000 0.923 453 P HA -0.019 nan 4.420 nan 0.000 0.234 453 P C 0.132 177.314 177.300 -0.198 0.000 1.167 453 P CA 1.149 64.127 63.100 -0.203 0.000 0.763 453 P CB -0.002 31.572 31.700 -0.210 0.000 0.835 454 I N -6.973 113.443 120.570 -0.256 0.000 2.894 454 I HA 0.451 4.626 4.170 0.009 0.000 0.302 454 I C -0.213 175.781 176.117 -0.204 0.000 1.188 454 I CA -1.204 59.958 61.300 -0.229 0.000 1.014 454 I CB 2.054 39.893 38.000 -0.268 0.000 1.242 454 I HN -0.402 nan 8.210 nan 0.000 0.430 455 S N 2.321 117.956 115.700 -0.107 0.000 3.581 455 S HA -0.191 4.284 4.470 0.009 0.000 0.354 455 S C 1.339 175.902 174.600 -0.063 0.000 1.059 455 S CA 0.828 59.006 58.200 -0.036 0.000 1.060 455 S CB -1.710 61.550 63.200 0.101 0.000 0.908 455 S HN 1.294 nan 8.310 nan 0.000 0.475 456 G N 2.553 111.285 108.800 -0.114 0.000 2.672 456 G HA2 -0.332 3.634 3.960 0.009 0.000 0.218 456 G HA3 -0.332 3.634 3.960 0.009 0.000 0.218 456 G C 1.496 176.224 174.900 -0.286 0.000 1.238 456 G CA 1.648 46.683 45.100 -0.109 0.000 0.791 456 G HN 1.335 nan 8.290 nan 0.000 0.606 457 S N 0.403 115.599 115.700 -0.840 0.000 2.500 457 S HA 0.090 4.566 4.470 0.009 0.000 0.239 457 S C 2.135 176.615 174.600 -0.201 0.000 0.989 457 S CA 0.952 58.483 58.200 -1.115 0.000 0.951 457 S CB -0.252 62.212 63.200 -1.226 0.000 0.759 457 S HN 0.324 nan 8.310 nan 0.000 0.523 458 L N 1.778 122.955 121.223 -0.077 0.000 2.492 458 L HA 0.116 4.461 4.340 0.009 0.000 0.223 458 L C 1.288 178.267 176.870 0.181 0.000 1.132 458 L CA 0.590 55.483 54.840 0.089 0.000 0.850 458 L CB -0.845 41.294 42.059 0.132 0.000 0.966 458 L HN 0.500 nan 8.230 nan 0.000 0.454 459 T N -4.204 110.441 114.554 0.152 0.000 2.929 459 T HA 0.294 4.649 4.350 0.009 0.000 0.284 459 T C -1.651 173.199 174.700 0.250 0.000 1.014 459 T CA -1.994 60.220 62.100 0.190 0.000 1.051 459 T CB 1.799 70.733 68.868 0.110 0.000 1.028 459 T HN -0.183 nan 8.240 nan 0.000 0.485 460 P HA -0.069 nan 4.420 nan 0.000 0.221 460 P C 1.778 179.269 177.300 0.319 0.000 1.150 460 P CA 0.898 64.185 63.100 0.312 0.000 0.800 460 P CB -0.340 31.497 31.700 0.228 0.000 0.787 461 V N -3.779 116.276 119.914 0.234 0.000 2.626 461 V HA -0.190 3.936 4.120 0.009 0.000 0.252 461 V C 2.385 178.582 176.094 0.171 0.000 1.067 461 V CA 1.118 63.535 62.300 0.195 0.000 1.081 461 V CB -2.244 29.626 31.823 0.078 0.000 0.686 461 V HN -0.116 nan 8.190 nan 0.000 0.468 462 F N 1.864 121.785 119.950 -0.049 0.000 2.120 462 F HA -0.197 4.335 4.527 0.009 0.000 0.300 462 F C 2.495 178.393 175.800 0.164 0.000 1.095 462 F CA 2.316 60.294 58.000 -0.037 0.000 1.249 462 F CB -0.270 38.561 39.000 -0.281 0.000 0.995 462 F HN 0.270 nan 8.300 nan 0.000 0.480 463 H N -0.934 118.474 119.070 0.563 0.000 2.543 463 H HA 0.092 4.653 4.556 0.009 0.000 0.269 463 H C 0.251 175.833 175.328 0.424 0.000 1.005 463 H CA 0.285 56.616 56.048 0.472 0.000 1.146 463 H CB -0.282 29.736 29.762 0.427 0.000 1.353 463 H HN 0.261 nan 8.280 nan 0.000 0.595 464 Q N 2.043 122.117 119.800 0.457 0.000 2.372 464 Q HA 0.160 4.506 4.340 0.009 0.000 0.259 464 Q C -0.519 175.708 176.000 0.379 0.000 0.993 464 Q CA -0.441 55.585 55.803 0.372 0.000 0.854 464 Q CB 0.720 29.647 28.738 0.316 0.000 1.231 464 Q HN 0.251 nan 8.270 nan 0.000 0.462 465 E N 3.237 123.614 120.200 0.296 0.000 2.408 465 E HA 0.256 4.612 4.350 0.009 0.000 0.259 465 E C -0.449 176.290 176.600 0.231 0.000 1.110 465 E CA 0.318 56.847 56.400 0.216 0.000 0.929 465 E CB 0.754 30.555 29.700 0.169 0.000 0.971 465 E HN 0.594 nan 8.360 nan 0.000 0.438 466 M N 1.172 120.903 119.600 0.219 0.000 2.378 466 M HA 0.298 4.783 4.480 0.009 0.000 0.289 466 M C -1.299 175.114 176.300 0.190 0.000 1.136 466 M CA -0.869 54.572 55.300 0.235 0.000 0.917 466 M CB 2.372 35.168 32.600 0.326 0.000 1.669 466 M HN 0.148 nan 8.290 nan 0.000 0.461 467 V N 2.104 122.141 119.914 0.204 0.000 2.427 467 V HA 0.391 4.516 4.120 0.009 0.000 0.286 467 V C -0.356 175.892 176.094 0.256 0.000 1.034 467 V CA -0.607 61.840 62.300 0.245 0.000 0.893 467 V CB 1.512 33.521 31.823 0.310 0.000 0.982 467 V HN 0.876 nan 8.190 nan 0.000 0.452 468 N N 3.552 122.390 118.700 0.230 0.000 2.372 468 N HA 0.683 5.429 4.740 0.009 0.000 0.291 468 N C -1.575 174.064 175.510 0.215 0.000 1.024 468 N CA -0.420 52.694 53.050 0.108 0.000 0.873 468 N CB 1.748 40.283 38.487 0.081 0.000 1.206 468 N HN 0.742 nan 8.380 nan 0.000 0.486 469 Y N 0.714 121.034 120.300 0.035 0.000 2.713 469 Y HA 0.505 5.061 4.550 0.009 0.000 0.335 469 Y C -1.577 174.328 175.900 0.008 0.000 1.222 469 Y CA -1.170 56.944 58.100 0.024 0.000 1.061 469 Y CB 0.770 39.249 38.460 0.032 0.000 1.314 469 Y HN 0.169 nan 8.280 nan 0.000 0.453 470 I N 3.215 123.880 120.570 0.159 0.000 2.321 470 I HA 0.445 4.620 4.170 0.009 0.000 0.291 470 I C -0.783 175.400 176.117 0.110 0.000 0.998 470 I CA -0.515 60.818 61.300 0.056 0.000 1.227 470 I CB 1.245 39.265 38.000 0.034 0.000 1.368 470 I HN 0.428 nan 8.210 nan 0.000 0.466 471 L N 4.919 126.166 121.223 0.041 0.000 2.333 471 L HA 0.585 4.931 4.340 0.009 0.000 0.269 471 L C -0.082 176.789 176.870 0.001 0.000 1.010 471 L CA -0.514 54.360 54.840 0.058 0.000 0.818 471 L CB 2.120 44.210 42.059 0.051 0.000 1.306 471 L HN 0.522 nan 8.230 nan 0.000 0.430 472 S N 1.626 117.339 115.700 0.021 0.000 2.536 472 S HA 0.634 5.110 4.470 0.009 0.000 0.298 472 S C -2.578 172.044 174.600 0.036 0.000 1.083 472 S CA -1.465 56.734 58.200 -0.002 0.000 0.995 472 S CB 1.877 65.088 63.200 0.019 0.000 1.058 472 S HN 0.233 nan 8.310 nan 0.000 0.488 473 P HA 0.315 nan 4.420 nan 0.000 0.267 473 P C -1.292 175.890 177.300 -0.196 0.000 1.195 473 P CA 0.181 63.194 63.100 -0.144 0.000 0.773 473 P CB 0.378 31.945 31.700 -0.221 0.000 0.837 474 A N 1.410 124.067 122.820 -0.271 0.000 2.608 474 A HA 0.638 4.964 4.320 0.009 0.000 0.292 474 A C -1.644 175.726 177.584 -0.356 0.000 1.066 474 A CA -0.518 51.361 52.037 -0.262 0.000 0.676 474 A CB 0.714 19.636 19.000 -0.131 0.000 1.277 474 A HN 0.316 nan 8.150 nan 0.000 0.413 475 F N 1.293 121.148 119.950 -0.158 0.000 2.410 475 F HA 0.637 5.169 4.527 0.008 0.000 0.349 475 F C 1.017 176.691 175.800 -0.209 0.000 1.117 475 F CA 0.160 58.062 58.000 -0.164 0.000 1.104 475 F CB 1.636 40.498 39.000 -0.231 0.000 1.122 475 F HN 0.544 nan 8.300 nan 0.000 0.483 476 R N 1.880 122.378 120.500 -0.003 0.000 2.888 476 R HA 0.488 4.833 4.340 0.009 0.000 0.266 476 R C -1.499 174.745 176.300 -0.093 0.000 1.020 476 R CA -1.240 54.789 56.100 -0.120 0.000 0.963 476 R CB 1.599 31.871 30.300 -0.046 0.000 1.197 476 R HN 0.394 nan 8.270 nan 0.000 0.481 477 Y N 1.216 121.534 120.300 0.031 0.000 2.301 477 Y HA 0.164 4.719 4.550 0.009 0.000 0.328 477 Y C 0.540 176.438 175.900 -0.004 0.000 1.242 477 Y CA -0.167 57.943 58.100 0.017 0.000 1.323 477 Y CB 0.916 39.375 38.460 -0.002 0.000 1.266 477 Y HN 0.444 nan 8.280 nan 0.000 0.527 478 Q N 1.159 121.050 119.800 0.151 0.000 2.416 478 Q HA 0.647 4.993 4.340 0.009 0.000 0.281 478 Q C -3.123 172.845 176.000 -0.053 0.000 1.067 478 Q CA -2.508 53.315 55.803 0.033 0.000 0.809 478 Q CB 2.097 30.844 28.738 0.015 0.000 1.418 478 Q HN 0.267 nan 8.270 nan 0.000 0.411 479 P HA 0.051 nan 4.420 nan 0.000 0.269 479 P C -0.906 176.176 177.300 -0.364 0.000 1.215 479 P CA -0.060 62.911 63.100 -0.214 0.000 0.780 479 P CB 0.430 32.019 31.700 -0.184 0.000 0.898 480 D N 3.044 123.086 120.400 -0.597 0.000 2.414 480 D HA 0.002 4.647 4.640 0.009 0.000 0.242 480 D C -1.046 174.652 176.300 -1.003 0.000 1.129 480 D CA -0.858 52.496 54.000 -1.076 0.000 0.885 480 D CB 0.425 40.046 40.800 -1.965 0.000 1.198 480 D HN 0.294 nan 8.370 nan 0.000 0.437 481 P HA -0.110 nan 4.420 nan 0.000 0.221 481 P C 0.403 177.342 177.300 -0.602 0.000 1.145 481 P CA 0.989 63.661 63.100 -0.712 0.000 0.795 481 P CB 0.110 31.328 31.700 -0.804 0.000 0.775 482 W N 0.000 120.879 121.300 -0.701 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.109 57.345 -0.393 0.000 1.226 482 W CB 0.000 29.230 29.460 -0.383 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535