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 1p6m_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRXXXXXXX DATA SEQUENCE XXXXXAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE 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 3.967 3.960 0.011 0.000 0.244 67 G C 0.000 174.816 174.900 -0.140 0.000 0.946 67 G CA 0.000 45.060 45.100 -0.067 0.000 0.502 68 P HA 0.315 nan 4.420 nan 0.000 0.266 68 P C -0.366 176.860 177.300 -0.124 0.000 1.195 68 P CA 0.094 63.048 63.100 -0.243 0.000 0.768 68 P CB 0.556 31.908 31.700 -0.580 0.000 0.838 69 K N 2.239 122.500 120.400 -0.230 0.000 3.041 69 K HA 0.238 4.564 4.320 0.011 0.000 0.243 69 K C -0.576 175.680 176.600 -0.573 0.000 1.167 69 K CA -0.009 56.059 56.287 -0.366 0.000 1.235 69 K CB -0.324 31.928 32.500 -0.412 0.000 1.205 69 K HN 0.374 nan 8.250 nan 0.000 0.448 70 F N 0.906 120.855 119.950 -0.001 0.000 2.588 70 F HA 0.324 4.857 4.527 0.011 0.000 0.314 70 F C -2.033 173.847 175.800 0.134 0.000 1.069 70 F CA -3.049 54.977 58.000 0.043 0.000 0.931 70 F CB 0.865 39.889 39.000 0.040 0.000 1.260 70 F HN -0.036 nan 8.300 nan 0.000 0.465 71 P HA -0.035 nan 4.420 nan 0.000 0.263 71 P C -0.806 176.641 177.300 0.245 0.000 1.175 71 P CA -0.022 63.206 63.100 0.213 0.000 0.761 71 P CB 0.788 32.581 31.700 0.154 0.000 0.794 72 R N 2.516 123.113 120.500 0.163 0.000 2.265 72 R HA 0.438 4.785 4.340 0.011 0.000 0.319 72 R C -1.017 175.233 176.300 -0.083 0.000 1.006 72 R CA -0.666 55.402 56.100 -0.054 0.000 0.880 72 R CB 0.700 30.993 30.300 -0.011 0.000 1.077 72 R HN 0.263 nan 8.270 nan 0.000 0.454 73 V N 4.861 124.672 119.914 -0.171 0.000 2.495 73 V HA 0.387 4.513 4.120 0.011 0.000 0.298 73 V C -0.373 175.646 176.094 -0.125 0.000 1.031 73 V CA -0.735 61.522 62.300 -0.073 0.000 0.871 73 V CB 1.651 33.463 31.823 -0.017 0.000 0.988 73 V HN 0.725 nan 8.190 nan 0.000 0.432 74 K N 3.522 123.881 120.400 -0.068 0.000 2.318 74 K HA 0.452 4.779 4.320 0.011 0.000 0.249 74 K C -0.674 175.867 176.600 -0.098 0.000 0.942 74 K CA -0.705 55.467 56.287 -0.192 0.000 0.808 74 K CB 1.595 33.838 32.500 -0.428 0.000 1.189 74 K HN 0.686 nan 8.250 nan 0.000 0.428 75 N N 4.358 122.973 118.700 -0.142 0.000 2.558 75 N HA 0.096 4.842 4.740 0.011 0.000 0.242 75 N C -0.383 175.112 175.510 -0.025 0.000 0.979 75 N CA -0.388 52.686 53.050 0.041 0.000 0.931 75 N CB 0.386 38.907 38.487 0.057 0.000 1.122 75 N HN 0.673 nan 8.380 nan 0.000 0.508 76 W N 1.966 123.337 121.300 0.118 0.000 2.747 76 W HA 0.012 4.678 4.660 0.011 0.000 0.244 76 W C 1.942 178.498 176.519 0.060 0.000 1.270 76 W CA 0.029 57.434 57.345 0.100 0.000 1.333 76 W CB 0.155 29.699 29.460 0.140 0.000 1.139 76 W HN 0.635 nan 8.180 nan 0.000 0.662 77 E N 0.355 120.664 120.200 0.181 0.000 2.035 77 E HA -0.092 4.264 4.350 0.011 0.000 0.191 77 E C 1.897 178.506 176.600 0.015 0.000 0.966 77 E CA 0.829 57.245 56.400 0.027 0.000 0.823 77 E CB -0.361 29.326 29.700 -0.022 0.000 0.791 77 E HN 0.187 nan 8.360 nan 0.000 0.459 78 L N -0.425 120.806 121.223 0.014 0.000 2.395 78 L HA 0.194 4.540 4.340 0.011 0.000 0.218 78 L C 1.664 178.508 176.870 -0.043 0.000 1.130 78 L CA 0.640 55.474 54.840 -0.010 0.000 0.826 78 L CB -0.003 42.055 42.059 -0.002 0.000 0.941 78 L HN 0.527 nan 8.230 nan 0.000 0.451 79 G N 0.099 108.850 108.800 -0.082 0.000 2.179 79 G HA2 -0.311 3.655 3.960 0.011 0.000 0.260 79 G HA3 -0.311 3.655 3.960 0.011 0.000 0.260 79 G C 0.431 175.229 174.900 -0.169 0.000 0.977 79 G CA 0.368 45.374 45.100 -0.157 0.000 0.641 79 G HN 0.492 nan 8.290 nan 0.000 0.533 80 S N 0.252 115.877 115.700 -0.125 0.000 2.580 80 S HA 0.745 5.222 4.470 0.011 0.000 0.274 80 S C 0.231 174.736 174.600 -0.158 0.000 1.329 80 S CA -0.504 57.628 58.200 -0.114 0.000 1.036 80 S CB 1.801 64.959 63.200 -0.070 0.000 0.919 80 S HN 0.492 nan 8.310 nan 0.000 0.515 81 I N 1.876 122.351 120.570 -0.159 0.000 2.740 81 I HA 0.694 4.871 4.170 0.011 0.000 0.303 81 I C 0.386 176.370 176.117 -0.222 0.000 1.044 81 I CA -0.284 60.881 61.300 -0.225 0.000 1.064 81 I CB 1.523 39.367 38.000 -0.260 0.000 1.249 81 I HN 1.095 nan 8.210 nan 0.000 0.433 82 T N 0.865 115.225 114.554 -0.323 0.000 2.802 82 T HA 0.666 5.022 4.350 0.011 0.000 0.311 82 T C -1.555 172.895 174.700 -0.416 0.000 1.405 82 T CA -0.733 61.217 62.100 -0.250 0.000 1.016 82 T CB 1.609 70.414 68.868 -0.105 0.000 1.352 82 T HN 0.268 nan 8.240 nan 0.000 0.498 83 Y N 0.336 120.626 120.300 -0.017 0.000 2.409 83 Y HA 0.550 5.106 4.550 0.011 0.000 0.343 83 Y C -0.025 175.850 175.900 -0.041 0.000 0.973 83 Y CA -0.939 57.163 58.100 0.003 0.000 1.064 83 Y CB 1.711 40.184 38.460 0.022 0.000 1.207 83 Y HN 0.749 nan 8.280 nan 0.000 0.452 84 D N 1.787 122.269 120.400 0.137 0.000 2.359 84 D HA 0.100 4.746 4.640 0.011 0.000 0.230 84 D C 0.539 176.830 176.300 -0.015 0.000 1.118 84 D CA -0.016 54.020 54.000 0.060 0.000 0.844 84 D CB 1.369 42.242 40.800 0.122 0.000 1.059 84 D HN 0.802 nan 8.370 nan 0.000 0.493 85 T N 1.121 115.556 114.554 -0.198 0.000 3.023 85 T HA -0.026 4.331 4.350 0.011 0.000 0.253 85 T C 1.771 176.363 174.700 -0.180 0.000 1.038 85 T CA -0.265 61.589 62.100 -0.411 0.000 0.962 85 T CB 0.082 68.463 68.868 -0.813 0.000 1.018 85 T HN 0.267 nan 8.240 nan 0.000 0.521 86 L N 2.246 123.402 121.223 -0.112 0.000 2.275 86 L HA 0.114 4.460 4.340 0.011 0.000 0.215 86 L C 2.461 179.225 176.870 -0.176 0.000 1.119 86 L CA 0.951 55.752 54.840 -0.064 0.000 0.790 86 L CB -0.836 41.247 42.059 0.041 0.000 0.919 86 L HN 0.630 nan 8.230 nan 0.000 0.443 87 C N -1.733 117.308 119.300 -0.432 0.000 2.432 87 C HA 0.162 4.628 4.460 0.011 0.000 0.280 87 C C 2.802 177.558 174.990 -0.390 0.000 1.353 87 C CA 0.087 58.531 59.018 -0.956 0.000 1.766 87 C CB -2.098 25.020 27.740 -1.036 0.000 1.924 87 C HN 0.579 nan 8.230 nan 0.000 0.509 88 A N 0.295 123.030 122.820 -0.141 0.000 2.125 88 A HA -0.180 4.147 4.320 0.011 0.000 0.219 88 A C 2.209 179.773 177.584 -0.034 0.000 1.156 88 A CA 1.953 53.974 52.037 -0.026 0.000 0.671 88 A CB -0.622 18.436 19.000 0.097 0.000 0.794 88 A HN 0.643 nan 8.150 nan 0.000 0.459 89 Q N 0.068 119.834 119.800 -0.056 0.000 2.245 89 Q HA 0.045 4.392 4.340 0.011 0.000 0.201 89 Q C 1.224 177.231 176.000 0.013 0.000 0.955 89 Q CA 0.756 56.555 55.803 -0.007 0.000 0.870 89 Q CB -0.184 28.562 28.738 0.013 0.000 0.945 89 Q HN 0.538 nan 8.270 nan 0.000 0.461 90 S N -0.154 115.537 115.700 -0.015 0.000 2.546 90 S HA -0.052 4.424 4.470 0.011 0.000 0.290 90 S C 0.546 175.168 174.600 0.036 0.000 1.290 90 S CA 0.124 58.351 58.200 0.046 0.000 1.069 90 S CB 0.510 63.742 63.200 0.052 0.000 0.846 90 S HN 0.408 nan 8.310 nan 0.000 0.495 91 Q N 1.922 121.753 119.800 0.052 0.000 2.353 91 Q HA 0.163 4.510 4.340 0.011 0.000 0.240 91 Q C -0.358 175.666 176.000 0.040 0.000 0.868 91 Q CA 0.112 55.940 55.803 0.041 0.000 0.944 91 Q CB 0.398 29.163 28.738 0.045 0.000 1.104 91 Q HN 0.624 nan 8.270 nan 0.000 0.531 92 Q N 1.488 121.317 119.800 0.048 0.000 2.278 92 Q HA 0.165 4.512 4.340 0.011 0.000 0.257 92 Q C -1.072 174.957 176.000 0.048 0.000 0.928 92 Q CA 0.018 55.847 55.803 0.042 0.000 0.932 92 Q CB 1.046 29.806 28.738 0.037 0.000 1.221 92 Q HN 0.005 nan 8.270 nan 0.000 0.434 93 D N 1.053 121.476 120.400 0.038 0.000 2.362 93 D HA 0.331 4.978 4.640 0.011 0.000 0.242 93 D C 0.476 176.803 176.300 0.044 0.000 1.132 93 D CA 0.144 54.168 54.000 0.040 0.000 0.907 93 D CB 1.038 41.856 40.800 0.030 0.000 1.195 93 D HN 0.588 nan 8.370 nan 0.000 0.429 94 G N 0.346 109.177 108.800 0.051 0.000 2.606 94 G HA2 0.374 4.340 3.960 0.011 0.000 0.262 94 G HA3 0.374 4.340 3.960 0.011 0.000 0.262 94 G C -1.489 173.436 174.900 0.041 0.000 1.394 94 G CA -0.545 44.585 45.100 0.050 0.000 1.044 94 G HN 0.374 nan 8.290 nan 0.000 0.553 95 P HA 0.202 nan 4.420 nan 0.000 0.252 95 P C 0.152 177.474 177.300 0.035 0.000 1.218 95 P CA 0.002 63.124 63.100 0.037 0.000 0.807 95 P CB 0.229 31.954 31.700 0.040 0.000 1.072 96 C N 0.780 120.103 119.300 0.039 0.000 2.382 96 C HA 0.678 5.144 4.460 0.011 0.000 0.363 96 C C 0.915 175.922 174.990 0.029 0.000 1.213 96 C CA -0.007 59.032 59.018 0.034 0.000 2.363 96 C CB 1.167 28.930 27.740 0.039 0.000 2.397 96 C HN 0.380 nan 8.230 nan 0.000 0.573 97 T N -2.060 112.508 114.554 0.023 0.000 2.841 97 T HA 0.425 4.782 4.350 0.011 0.000 0.296 97 T C -2.524 172.186 174.700 0.016 0.000 1.166 97 T CA -1.132 60.979 62.100 0.018 0.000 1.007 97 T CB 1.257 70.134 68.868 0.015 0.000 1.253 97 T HN 0.262 nan 8.240 nan 0.000 0.511 98 P HA 0.028 nan 4.420 nan 0.000 0.221 98 P C 1.471 178.776 177.300 0.008 0.000 1.145 98 P CA 0.623 63.729 63.100 0.010 0.000 0.795 98 P CB 0.149 31.853 31.700 0.007 0.000 0.775 99 R N -0.181 120.324 120.500 0.008 0.000 2.062 99 R HA -0.019 4.328 4.340 0.011 0.000 0.229 99 R C 0.863 177.168 176.300 0.007 0.000 1.128 99 R CA 0.993 57.097 56.100 0.007 0.000 0.960 99 R CB 0.158 30.462 30.300 0.007 0.000 0.855 99 R HN 0.055 nan 8.270 nan 0.000 0.432 100 R N -0.418 120.088 120.500 0.010 0.000 2.698 100 R HA 0.249 4.595 4.340 0.011 0.000 0.275 100 R C -1.715 174.594 176.300 0.015 0.000 1.001 100 R CA -0.739 55.367 56.100 0.011 0.000 0.896 100 R CB 0.536 30.842 30.300 0.011 0.000 1.218 100 R HN 0.143 nan 8.270 nan 0.000 0.462 101 C N 4.057 123.366 119.300 0.015 0.000 2.273 101 C HA 0.524 4.991 4.460 0.011 0.000 0.328 101 C C 0.752 175.758 174.990 0.027 0.000 1.275 101 C CA -0.711 58.319 59.018 0.021 0.000 1.704 101 C CB -0.842 26.907 27.740 0.014 0.000 2.326 101 C HN 0.805 nan 8.230 nan 0.000 0.517 102 L N 5.867 127.112 121.223 0.036 0.000 2.928 102 L HA 0.276 4.622 4.340 0.011 0.000 0.246 102 L C 2.065 178.971 176.870 0.059 0.000 1.239 102 L CA 0.235 55.101 54.840 0.043 0.000 1.035 102 L CB -0.137 41.946 42.059 0.040 0.000 1.360 102 L HN 1.053 nan 8.230 nan 0.000 0.529 103 G N 0.302 109.139 108.800 0.062 0.000 2.462 103 G HA2 -0.277 3.689 3.960 0.011 0.000 0.220 103 G HA3 -0.277 3.689 3.960 0.011 0.000 0.220 103 G C 1.605 176.577 174.900 0.120 0.000 1.121 103 G CA 1.166 46.316 45.100 0.084 0.000 0.758 103 G HN 0.532 nan 8.290 nan 0.000 0.559 104 S N -0.573 115.193 115.700 0.111 0.000 2.558 104 S HA 0.298 4.774 4.470 0.011 0.000 0.217 104 S C 0.654 175.342 174.600 0.148 0.000 0.975 104 S CA -0.413 57.871 58.200 0.140 0.000 0.912 104 S CB -0.010 63.252 63.200 0.103 0.000 0.776 104 S HN -0.008 nan 8.310 nan 0.000 0.526 105 L N 2.420 123.714 121.223 0.118 0.000 2.410 105 L HA 0.236 4.582 4.340 0.011 0.000 0.273 105 L C 1.363 178.321 176.870 0.147 0.000 1.144 105 L CA 0.153 55.058 54.840 0.109 0.000 0.863 105 L CB 0.730 42.833 42.059 0.072 0.000 1.140 105 L HN -0.012 nan 8.230 nan 0.000 0.463 106 V N 4.180 124.192 119.914 0.164 0.000 2.307 106 V HA -0.123 4.004 4.120 0.011 0.000 0.245 106 V C 0.993 177.148 176.094 0.102 0.000 1.045 106 V CA 1.329 63.757 62.300 0.213 0.000 1.024 106 V CB -0.285 31.663 31.823 0.208 0.000 0.651 106 V HN 0.540 nan 8.190 nan 0.000 0.449 107 L N 2.581 123.822 121.223 0.030 0.000 2.556 107 L HA 0.363 4.710 4.340 0.011 0.000 0.243 107 L C -2.392 174.492 176.870 0.023 0.000 1.331 107 L CA -1.050 53.781 54.840 -0.015 0.000 0.927 107 L CB 1.124 43.106 42.059 -0.128 0.000 1.219 107 L HN 0.243 nan 8.230 nan 0.000 0.490 108 P HA 0.266 nan 4.420 nan 0.000 0.282 108 P C -0.050 177.274 177.300 0.040 0.000 1.274 108 P CA -0.582 62.544 63.100 0.042 0.000 0.770 108 P CB 1.258 32.987 31.700 0.049 0.000 0.867 123 E N 0.403 120.614 120.200 0.019 0.000 2.086 123 E HA -0.344 4.013 4.350 0.011 0.000 0.200 123 E C 1.951 178.562 176.600 0.019 0.000 1.012 123 E CA 1.998 58.407 56.400 0.015 0.000 0.812 123 E CB -0.083 29.624 29.700 0.012 0.000 0.743 123 E HN 0.715 nan 8.360 nan 0.000 0.453 124 Q N 0.007 119.820 119.800 0.022 0.000 2.245 124 Q HA -0.115 4.232 4.340 0.011 0.000 0.201 124 Q C 2.269 178.293 176.000 0.039 0.000 0.955 124 Q CA 0.593 56.413 55.803 0.028 0.000 0.870 124 Q CB -0.019 28.733 28.738 0.024 0.000 0.945 124 Q HN 0.337 nan 8.270 nan 0.000 0.461 125 L N 0.468 121.718 121.223 0.045 0.000 2.191 125 L HA -0.130 4.216 4.340 0.011 0.000 0.212 125 L C 1.799 178.715 176.870 0.076 0.000 1.103 125 L CA 1.273 56.156 54.840 0.072 0.000 0.769 125 L CB -0.397 41.711 42.059 0.082 0.000 0.908 125 L HN 0.321 nan 8.230 nan 0.000 0.438 126 L N -0.810 120.436 121.223 0.038 0.000 2.068 126 L HA -0.076 4.270 4.340 0.011 0.000 0.204 126 L C 2.713 179.594 176.870 0.017 0.000 1.076 126 L CA 1.811 56.652 54.840 0.003 0.000 0.753 126 L CB -1.072 40.982 42.059 -0.009 0.000 0.910 126 L HN 0.591 nan 8.230 nan 0.000 0.439 127 S N -1.175 114.543 115.700 0.031 0.000 2.399 127 S HA -0.249 4.227 4.470 0.011 0.000 0.231 127 S C 1.794 176.435 174.600 0.069 0.000 1.022 127 S CA 1.052 59.276 58.200 0.041 0.000 0.983 127 S CB -0.357 62.865 63.200 0.036 0.000 0.803 127 S HN 0.482 nan 8.310 nan 0.000 0.480 128 Q N 1.046 120.896 119.800 0.083 0.000 2.049 128 Q HA 0.113 4.459 4.340 0.011 0.000 0.198 128 Q C 2.675 178.783 176.000 0.180 0.000 0.971 128 Q CA 1.284 57.159 55.803 0.119 0.000 0.833 128 Q CB -0.500 28.300 28.738 0.104 0.000 0.896 128 Q HN 0.745 nan 8.270 nan 0.000 0.434 129 A N 1.157 124.076 122.820 0.165 0.000 1.902 129 A HA -0.206 4.121 4.320 0.011 0.000 0.217 129 A C 1.985 179.666 177.584 0.162 0.000 1.181 129 A CA 1.342 53.493 52.037 0.190 0.000 0.623 129 A CB -0.406 18.514 19.000 -0.134 0.000 0.818 129 A HN 0.204 nan 8.150 nan 0.000 0.443 130 R N -0.700 119.848 120.500 0.080 0.000 2.081 130 R HA -0.175 4.172 4.340 0.011 0.000 0.235 130 R C 2.038 178.417 176.300 0.132 0.000 1.131 130 R CA 1.721 57.869 56.100 0.079 0.000 0.960 130 R CB -0.462 29.862 30.300 0.040 0.000 0.856 130 R HN 0.720 nan 8.270 nan 0.000 0.436 131 D N -0.191 120.296 120.400 0.145 0.000 2.123 131 D HA -0.209 4.437 4.640 0.011 0.000 0.196 131 D C 1.617 178.042 176.300 0.209 0.000 0.992 131 D CA 1.046 55.139 54.000 0.155 0.000 0.833 131 D CB -0.033 40.855 40.800 0.148 0.000 0.954 131 D HN 0.125 nan 8.370 nan 0.000 0.455 132 F N 0.846 120.883 119.950 0.146 0.000 2.113 132 F HA -0.090 4.443 4.527 0.010 0.000 0.297 132 F C 1.935 177.867 175.800 0.220 0.000 1.103 132 F CA 1.003 59.124 58.000 0.201 0.000 1.248 132 F CB -0.294 38.837 39.000 0.219 0.000 0.999 132 F HN -0.015 nan 8.300 nan 0.000 0.475 133 I N 1.130 121.710 120.570 0.016 0.000 2.194 133 I HA -0.341 3.835 4.170 0.011 0.000 0.246 133 I C 2.076 178.180 176.117 -0.021 0.000 1.093 133 I CA 1.328 62.624 61.300 -0.007 0.000 1.355 133 I CB -1.667 36.443 38.000 0.183 0.000 1.046 133 I HN 0.283 nan 8.210 nan 0.000 0.413 134 N N 0.842 119.554 118.700 0.020 0.000 2.084 134 N HA -0.200 4.547 4.740 0.011 0.000 0.190 134 N C 1.828 177.246 175.510 -0.154 0.000 1.030 134 N CA 1.157 54.178 53.050 -0.048 0.000 0.849 134 N CB -0.332 38.207 38.487 0.087 0.000 1.012 134 N HN 0.534 nan 8.380 nan 0.000 0.423 135 Q N -0.397 119.335 119.800 -0.112 0.000 2.135 135 Q HA -0.183 4.163 4.340 0.011 0.000 0.204 135 Q C 1.799 177.539 176.000 -0.434 0.000 0.981 135 Q CA 1.204 56.947 55.803 -0.100 0.000 0.856 135 Q CB -0.196 28.629 28.738 0.144 0.000 0.902 135 Q HN 0.456 nan 8.270 nan 0.000 0.425 136 Y N -0.085 119.716 120.300 -0.831 0.000 2.109 136 Y HA -0.276 4.280 4.550 0.009 0.000 0.285 136 Y C 1.739 177.098 175.900 -0.901 0.000 1.131 136 Y CA 1.540 58.887 58.100 -1.256 0.000 1.121 136 Y CB -0.598 37.210 38.460 -1.087 0.000 0.987 136 Y HN 0.051 nan 8.280 nan 0.000 0.495 137 Y N 0.473 120.326 120.300 -0.746 0.000 2.274 137 Y HA -0.250 4.307 4.550 0.012 0.000 0.290 137 Y C 2.989 178.551 175.900 -0.564 0.000 1.145 137 Y CA 1.935 59.604 58.100 -0.719 0.000 1.203 137 Y CB -0.648 37.345 38.460 -0.778 0.000 0.984 137 Y HN 0.321 nan 8.280 nan 0.000 0.533 138 S N -1.623 113.863 115.700 -0.356 0.000 2.387 138 S HA -0.220 4.257 4.470 0.011 0.000 0.226 138 S C 2.243 176.673 174.600 -0.283 0.000 1.026 138 S CA 0.934 58.994 58.200 -0.235 0.000 0.972 138 S CB -1.003 62.108 63.200 -0.149 0.000 0.814 138 S HN 0.428 nan 8.310 nan 0.000 0.477 139 S N 2.673 118.119 115.700 -0.423 0.000 2.392 139 S HA -0.129 4.347 4.470 0.011 0.000 0.232 139 S C 1.690 176.066 174.600 -0.372 0.000 1.041 139 S CA 1.479 59.448 58.200 -0.385 0.000 1.026 139 S CB -0.897 61.868 63.200 -0.724 0.000 0.845 139 S HN 0.808 nan 8.310 nan 0.000 0.465 140 I N -3.467 116.783 120.570 -0.535 0.000 3.976 140 I HA 0.402 4.579 4.170 0.011 0.000 0.337 140 I C -0.402 175.560 176.117 -0.258 0.000 1.359 140 I CA -0.413 60.638 61.300 -0.414 0.000 1.098 140 I CB 0.120 37.769 38.000 -0.587 0.000 1.027 140 I HN -0.075 nan 8.210 nan 0.000 0.394 141 K N 2.497 122.768 120.400 -0.216 0.000 3.239 141 K HA -0.118 4.209 4.320 0.011 0.000 0.270 141 K C -0.328 176.224 176.600 -0.079 0.000 1.083 141 K CA 0.423 56.636 56.287 -0.122 0.000 0.782 141 K CB -1.714 30.733 32.500 -0.089 0.000 1.290 141 K HN 0.590 nan 8.250 nan 0.000 0.474 142 R N -0.763 119.700 120.500 -0.061 0.000 2.617 142 R HA 0.116 4.462 4.340 0.011 0.000 0.432 142 R C -0.471 175.882 176.300 0.088 0.000 1.018 142 R CA -0.367 55.757 56.100 0.039 0.000 1.077 142 R CB 0.680 31.050 30.300 0.117 0.000 1.394 142 R HN 0.047 nan 8.270 nan 0.000 0.608 143 S N 0.011 115.734 115.700 0.038 0.000 2.533 143 S HA 0.317 4.794 4.470 0.011 0.000 0.282 143 S C 1.349 176.058 174.600 0.182 0.000 1.304 143 S CA 1.066 59.337 58.200 0.119 0.000 1.063 143 S CB 1.051 64.279 63.200 0.047 0.000 0.881 143 S HN 0.711 nan 8.310 nan 0.000 0.493 144 G N 2.528 111.524 108.800 0.326 0.000 2.234 144 G HA2 -0.330 3.636 3.960 0.011 0.000 0.260 144 G HA3 -0.330 3.636 3.960 0.011 0.000 0.260 144 G C 0.427 175.319 174.900 -0.013 0.000 0.987 144 G CA 0.338 45.459 45.100 0.034 0.000 0.625 144 G HN 1.152 nan 8.290 nan 0.000 0.532 145 S N -0.470 115.255 115.700 0.042 0.000 2.612 145 S HA 0.319 4.795 4.470 0.011 0.000 0.253 145 S C 1.388 175.961 174.600 -0.044 0.000 1.346 145 S CA 0.905 59.111 58.200 0.010 0.000 0.976 145 S CB 1.013 64.244 63.200 0.051 0.000 0.949 145 S HN 0.626 nan 8.310 nan 0.000 0.584 146 Q N 0.459 120.240 119.800 -0.031 0.000 2.046 146 Q HA -0.094 4.253 4.340 0.011 0.000 0.200 146 Q C 2.317 178.280 176.000 -0.062 0.000 0.975 146 Q CA 1.412 57.187 55.803 -0.047 0.000 0.836 146 Q CB -0.790 27.937 28.738 -0.019 0.000 0.896 146 Q HN 0.921 nan 8.270 nan 0.000 0.428 147 A N 0.424 123.230 122.820 -0.023 0.000 1.908 147 A HA -0.259 4.068 4.320 0.011 0.000 0.218 147 A C 1.919 179.353 177.584 -0.249 0.000 1.181 147 A CA 1.778 53.813 52.037 -0.004 0.000 0.627 147 A CB -1.100 18.013 19.000 0.189 0.000 0.818 147 A HN 0.724 nan 8.150 nan 0.000 0.445 148 H N -0.663 117.989 119.070 -0.697 0.000 2.270 148 H HA -0.115 4.447 4.556 0.011 0.000 0.299 148 H C 1.887 176.893 175.328 -0.536 0.000 1.077 148 H CA 1.303 56.634 56.048 -1.194 0.000 1.294 148 H CB 0.058 29.309 29.762 -0.853 0.000 1.371 148 H HN 0.417 nan 8.280 nan 0.000 0.491 149 E N 0.646 120.603 120.200 -0.405 0.000 2.153 149 E HA -0.154 4.203 4.350 0.011 0.000 0.194 149 E C 2.055 178.536 176.600 -0.197 0.000 0.988 149 E CA 0.820 57.010 56.400 -0.352 0.000 0.811 149 E CB -0.111 29.431 29.700 -0.263 0.000 0.746 149 E HN 0.693 nan 8.360 nan 0.000 0.466 150 E N 0.369 120.482 120.200 -0.145 0.000 2.152 150 E HA -0.138 4.219 4.350 0.011 0.000 0.192 150 E C 2.143 178.714 176.600 -0.049 0.000 0.983 150 E CA 0.476 56.831 56.400 -0.075 0.000 0.818 150 E CB 0.050 29.726 29.700 -0.039 0.000 0.758 150 E HN -0.067 nan 8.360 nan 0.000 0.467 151 R N 1.363 121.829 120.500 -0.058 0.000 2.075 151 R HA -0.063 4.283 4.340 0.011 0.000 0.232 151 R C 2.114 178.414 176.300 0.000 0.000 1.126 151 R CA 1.095 57.208 56.100 0.021 0.000 0.963 151 R CB -0.666 29.697 30.300 0.105 0.000 0.858 151 R HN 0.127 nan 8.270 nan 0.000 0.435 152 L N 0.550 121.745 121.223 -0.046 0.000 2.079 152 L HA -0.243 4.104 4.340 0.011 0.000 0.210 152 L C 2.471 179.301 176.870 -0.065 0.000 1.081 152 L CA 1.388 56.193 54.840 -0.057 0.000 0.752 152 L CB -0.559 41.431 42.059 -0.115 0.000 0.896 152 L HN 0.288 nan 8.230 nan 0.000 0.433 153 Q N -0.185 119.576 119.800 -0.064 0.000 2.046 153 Q HA -0.256 4.091 4.340 0.011 0.000 0.200 153 Q C 2.057 178.039 176.000 -0.030 0.000 0.975 153 Q CA 1.537 57.311 55.803 -0.048 0.000 0.836 153 Q CB -0.307 28.404 28.738 -0.045 0.000 0.896 153 Q HN 0.552 nan 8.270 nan 0.000 0.428 154 E N 0.265 120.458 120.200 -0.013 0.000 2.070 154 E HA -0.168 4.189 4.350 0.011 0.000 0.197 154 E C 2.070 178.673 176.600 0.006 0.000 1.004 154 E CA 1.347 57.755 56.400 0.012 0.000 0.805 154 E CB 0.182 29.906 29.700 0.040 0.000 0.744 154 E HN 0.089 nan 8.360 nan 0.000 0.451 155 V N 1.082 120.972 119.914 -0.040 0.000 2.358 155 V HA -0.237 3.889 4.120 0.011 0.000 0.246 155 V C 2.040 178.051 176.094 -0.139 0.000 1.047 155 V CA 2.075 64.283 62.300 -0.153 0.000 1.035 155 V CB -0.432 31.189 31.823 -0.337 0.000 0.658 155 V HN 0.294 nan 8.190 nan 0.000 0.452 156 E N 0.261 120.405 120.200 -0.093 0.000 2.047 156 E HA -0.166 4.190 4.350 0.011 0.000 0.191 156 E C 2.354 178.941 176.600 -0.021 0.000 0.987 156 E CA 1.229 57.593 56.400 -0.060 0.000 0.799 156 E CB -0.363 29.308 29.700 -0.049 0.000 0.752 156 E HN 0.585 nan 8.360 nan 0.000 0.449 157 A N 1.385 124.200 122.820 -0.010 0.000 1.908 157 A HA -0.283 4.044 4.320 0.011 0.000 0.218 157 A C 2.037 179.639 177.584 0.031 0.000 1.181 157 A CA 1.757 53.799 52.037 0.009 0.000 0.627 157 A CB -0.433 18.573 19.000 0.011 0.000 0.818 157 A HN 0.223 nan 8.150 nan 0.000 0.445 158 E N -0.617 119.613 120.200 0.049 0.000 2.072 158 E HA -0.074 4.282 4.350 0.011 0.000 0.190 158 E C 1.797 178.459 176.600 0.103 0.000 0.982 158 E CA 1.041 57.498 56.400 0.095 0.000 0.803 158 E CB -0.004 29.792 29.700 0.161 0.000 0.755 158 E HN 0.339 nan 8.360 nan 0.000 0.453 159 V N 0.843 120.807 119.914 0.083 0.000 2.667 159 V HA -0.163 3.963 4.120 0.011 0.000 0.252 159 V C 2.159 178.285 176.094 0.053 0.000 1.065 159 V CA 1.481 63.832 62.300 0.085 0.000 1.083 159 V CB -0.232 31.625 31.823 0.056 0.000 0.692 159 V HN 0.343 nan 8.190 nan 0.000 0.468 160 A N 0.426 123.267 122.820 0.036 0.000 1.968 160 A HA -0.094 4.233 4.320 0.011 0.000 0.217 160 A C 2.315 179.917 177.584 0.031 0.000 1.169 160 A CA 1.713 53.766 52.037 0.026 0.000 0.638 160 A CB -0.274 18.735 19.000 0.015 0.000 0.812 160 A HN 0.659 nan 8.150 nan 0.000 0.446 161 S N -2.235 113.488 115.700 0.039 0.000 2.539 161 S HA 0.088 4.565 4.470 0.011 0.000 0.221 161 S C 1.124 175.752 174.600 0.047 0.000 0.987 161 S CA 0.934 59.157 58.200 0.038 0.000 0.929 161 S CB -0.060 63.161 63.200 0.035 0.000 0.832 161 S HN 0.730 nan 8.310 nan 0.000 0.492 162 T N -4.343 110.246 114.554 0.060 0.000 3.029 162 T HA 0.534 4.890 4.350 0.011 0.000 0.256 162 T C 1.582 176.319 174.700 0.063 0.000 0.914 162 T CA 0.845 62.985 62.100 0.066 0.000 0.880 162 T CB 0.157 69.081 68.868 0.092 0.000 1.246 162 T HN 1.185 nan 8.240 nan 0.000 0.523 163 G N 0.510 109.348 108.800 0.065 0.000 2.258 163 G HA2 -0.206 3.761 3.960 0.011 0.000 0.233 163 G HA3 -0.206 3.761 3.960 0.011 0.000 0.233 163 G C 0.294 175.237 174.900 0.073 0.000 1.006 163 G CA 0.759 45.892 45.100 0.056 0.000 0.620 163 G HN 0.993 nan 8.290 nan 0.000 0.511 164 T N -1.196 113.416 114.554 0.096 0.000 2.573 164 T HA 0.775 5.132 4.350 0.011 0.000 0.259 164 T C -1.069 173.781 174.700 0.249 0.000 0.886 164 T CA 0.646 62.811 62.100 0.108 0.000 1.110 164 T CB 1.388 70.242 68.868 -0.022 0.000 1.421 164 T HN 1.711 nan 8.240 nan 0.000 0.523 165 Y N -0.838 119.454 120.300 -0.014 0.000 2.765 165 Y HA 0.660 5.216 4.550 0.011 0.000 0.350 165 Y C -1.921 173.966 175.900 -0.023 0.000 1.196 165 Y CA -1.244 56.902 58.100 0.075 0.000 1.119 165 Y CB 0.296 38.802 38.460 0.077 0.000 1.368 165 Y HN 0.754 nan 8.280 nan 0.000 0.463 166 H N 1.622 120.722 119.070 0.050 0.000 2.616 166 H HA 0.743 5.305 4.556 0.010 0.000 0.353 166 H C -0.864 174.507 175.328 0.071 0.000 1.170 166 H CA -0.851 55.169 56.048 -0.045 0.000 1.212 166 H CB 1.795 31.575 29.762 0.030 0.000 1.653 166 H HN 0.746 nan 8.280 nan 0.000 0.537 167 L N 1.893 123.191 121.223 0.124 0.000 2.322 167 L HA 0.499 4.845 4.340 0.011 0.000 0.279 167 L C 0.498 177.447 176.870 0.132 0.000 1.036 167 L CA -0.793 54.146 54.840 0.164 0.000 0.807 167 L CB 1.164 43.285 42.059 0.103 0.000 1.226 167 L HN 0.424 nan 8.230 nan 0.000 0.433 168 R N 1.042 121.599 120.500 0.095 0.000 2.707 168 R HA 0.034 4.381 4.340 0.011 0.000 0.270 168 R C 1.121 177.426 176.300 0.008 0.000 1.083 168 R CA -0.435 55.690 56.100 0.042 0.000 1.182 168 R CB 0.741 31.044 30.300 0.004 0.000 1.084 168 R HN 0.664 nan 8.270 nan 0.000 0.528 169 E N 1.137 121.342 120.200 0.007 0.000 2.048 169 E HA -0.286 4.070 4.350 0.011 0.000 0.202 169 E C 1.564 178.159 176.600 -0.007 0.000 1.021 169 E CA 2.513 58.911 56.400 -0.003 0.000 0.825 169 E CB 0.007 29.710 29.700 0.004 0.000 0.756 169 E HN 0.687 nan 8.360 nan 0.000 0.454 170 S N 0.008 115.704 115.700 -0.006 0.000 2.423 170 S HA -0.133 4.343 4.470 0.011 0.000 0.231 170 S C 1.711 176.311 174.600 0.000 0.000 1.014 170 S CA 1.152 59.371 58.200 0.031 0.000 0.965 170 S CB -0.271 62.977 63.200 0.079 0.000 0.785 170 S HN 0.327 nan 8.310 nan 0.000 0.495 171 E N 0.790 120.871 120.200 -0.197 0.000 2.150 171 E HA -0.058 4.298 4.350 0.011 0.000 0.193 171 E C 1.984 178.722 176.600 0.230 0.000 0.985 171 E CA 1.066 57.328 56.400 -0.231 0.000 0.814 171 E CB -0.302 29.288 29.700 -0.183 0.000 0.752 171 E HN 0.471 nan 8.360 nan 0.000 0.466 172 L N 0.719 121.991 121.223 0.081 0.000 2.044 172 L HA -0.118 4.228 4.340 0.011 0.000 0.205 172 L C 2.213 179.085 176.870 0.004 0.000 1.075 172 L CA 1.274 56.108 54.840 -0.009 0.000 0.747 172 L CB -0.276 41.718 42.059 -0.109 0.000 0.903 172 L HN -0.095 nan 8.230 nan 0.000 0.435 173 V N -0.182 119.756 119.914 0.041 0.000 2.392 173 V HA -0.309 3.818 4.120 0.011 0.000 0.249 173 V C 2.339 178.518 176.094 0.141 0.000 1.059 173 V CA 2.119 64.447 62.300 0.047 0.000 1.051 173 V CB -1.020 30.835 31.823 0.054 0.000 0.658 173 V HN 0.582 nan 8.190 nan 0.000 0.455 174 F N 2.047 122.078 119.950 0.135 0.000 2.113 174 F HA 0.029 4.562 4.527 0.009 0.000 0.297 174 F C 2.196 178.137 175.800 0.236 0.000 1.103 174 F CA 1.703 59.838 58.000 0.224 0.000 1.248 174 F CB -0.921 38.282 39.000 0.338 0.000 0.999 174 F HN 0.117 nan 8.300 nan 0.000 0.475 175 G N -0.086 108.780 108.800 0.109 0.000 2.418 175 G HA2 -0.208 3.759 3.960 0.011 0.000 0.217 175 G HA3 -0.208 3.759 3.960 0.011 0.000 0.217 175 G C 1.837 176.588 174.900 -0.250 0.000 1.158 175 G CA 0.870 45.908 45.100 -0.104 0.000 0.771 175 G HN 0.643 nan 8.290 nan 0.000 0.545 176 A N 0.858 123.564 122.820 -0.190 0.000 1.883 176 A HA -0.061 4.266 4.320 0.011 0.000 0.217 176 A C 2.309 179.860 177.584 -0.055 0.000 1.186 176 A CA 2.004 53.934 52.037 -0.179 0.000 0.624 176 A CB -0.356 18.568 19.000 -0.127 0.000 0.822 176 A HN 0.370 nan 8.150 nan 0.000 0.444 177 K N -1.303 119.104 120.400 0.011 0.000 2.155 177 K HA -0.124 4.203 4.320 0.011 0.000 0.203 177 K C 2.295 178.934 176.600 0.066 0.000 1.052 177 K CA 1.326 57.729 56.287 0.192 0.000 0.948 177 K CB -0.073 32.600 32.500 0.289 0.000 0.728 177 K HN 0.435 nan 8.250 nan 0.000 0.448 178 Q N 0.809 120.466 119.800 -0.239 0.000 2.119 178 Q HA -0.028 4.318 4.340 0.011 0.000 0.201 178 Q C 1.825 177.674 176.000 -0.252 0.000 0.972 178 Q CA 1.579 57.152 55.803 -0.384 0.000 0.847 178 Q CB -0.174 28.197 28.738 -0.612 0.000 0.903 178 Q HN 0.302 nan 8.270 nan 0.000 0.433 179 A N -0.525 122.144 122.820 -0.251 0.000 1.902 179 A HA -0.185 4.141 4.320 0.011 0.000 0.217 179 A C 1.832 179.409 177.584 -0.012 0.000 1.181 179 A CA 1.479 53.327 52.037 -0.315 0.000 0.623 179 A CB -1.185 17.331 19.000 -0.807 0.000 0.818 179 A HN 0.687 nan 8.150 nan 0.000 0.443 180 W N 1.000 122.269 121.300 -0.053 0.000 2.354 180 W HA -0.146 4.519 4.660 0.009 0.000 0.315 180 W C 2.336 178.809 176.519 -0.077 0.000 1.206 180 W CA 1.622 58.992 57.345 0.042 0.000 1.290 180 W CB -0.841 28.639 29.460 0.034 0.000 1.152 180 W HN 0.371 nan 8.180 nan 0.000 0.489 181 R N 0.395 120.841 120.500 -0.090 0.000 2.170 181 R HA -0.205 4.141 4.340 0.011 0.000 0.242 181 R C 1.492 177.634 176.300 -0.263 0.000 1.145 181 R CA 1.893 57.718 56.100 -0.459 0.000 0.984 181 R CB -0.513 29.212 30.300 -0.958 0.000 0.869 181 R HN 0.130 nan 8.270 nan 0.000 0.455 182 N N 0.120 118.727 118.700 -0.156 0.000 2.353 182 N HA 0.042 4.789 4.740 0.011 0.000 0.185 182 N C -0.362 175.108 175.510 -0.067 0.000 1.098 182 N CA 0.627 53.606 53.050 -0.118 0.000 0.872 182 N CB 0.523 38.942 38.487 -0.113 0.000 0.970 182 N HN 0.164 nan 8.380 nan 0.000 0.467 183 A N 2.231 125.060 122.820 0.014 0.000 2.496 183 A HA 0.183 4.509 4.320 0.011 0.000 0.278 183 A C -1.242 176.324 177.584 -0.029 0.000 1.137 183 A CA -0.789 51.258 52.037 0.016 0.000 0.805 183 A CB 0.211 19.273 19.000 0.102 0.000 1.077 183 A HN 0.021 nan 8.150 nan 0.000 0.513 184 P HA -0.114 nan 4.420 nan 0.000 0.220 184 P C 1.086 178.330 177.300 -0.094 0.000 1.148 184 P CA 1.184 64.221 63.100 -0.106 0.000 0.803 184 P CB 0.170 31.773 31.700 -0.163 0.000 0.782 185 R N -2.438 117.971 120.500 -0.152 0.000 2.334 185 R HA 0.169 4.515 4.340 0.011 0.000 0.216 185 R C 0.235 176.538 176.300 0.006 0.000 0.905 185 R CA -0.167 55.863 56.100 -0.116 0.000 1.064 185 R CB -0.316 29.711 30.300 -0.455 0.000 1.046 185 R HN 0.162 nan 8.270 nan 0.000 0.508 186 C N 0.826 120.119 119.300 -0.012 0.000 2.394 186 C HA 0.194 4.661 4.460 0.011 0.000 0.362 186 C C 1.912 176.870 174.990 -0.053 0.000 1.268 186 C CA -0.592 58.442 59.018 0.026 0.000 1.828 186 C CB 0.566 28.385 27.740 0.132 0.000 2.442 186 C HN 0.296 nan 8.230 nan 0.000 0.549 187 V N 6.142 125.980 119.914 -0.128 0.000 3.541 187 V HA 0.225 4.351 4.120 0.011 0.000 0.267 187 V C 1.708 177.804 176.094 0.003 0.000 1.213 187 V CA 1.921 64.040 62.300 -0.302 0.000 1.149 187 V CB -0.170 31.474 31.823 -0.299 0.000 0.822 187 V HN 1.066 nan 8.190 nan 0.000 0.462 188 G N -0.467 108.373 108.800 0.068 0.000 3.383 188 G HA2 0.020 3.987 3.960 0.011 0.000 0.251 188 G HA3 0.020 3.987 3.960 0.011 0.000 0.251 188 G C 1.177 176.112 174.900 0.057 0.000 1.203 188 G CA -0.243 44.917 45.100 0.100 0.000 0.852 188 G HN 0.406 nan 8.290 nan 0.000 0.531 189 R N 0.058 120.507 120.500 -0.086 0.000 2.159 189 R HA 0.034 4.381 4.340 0.011 0.000 0.237 189 R C 2.201 178.108 176.300 -0.655 0.000 1.131 189 R CA 0.571 56.330 56.100 -0.568 0.000 0.982 189 R CB -0.363 29.486 30.300 -0.752 0.000 0.868 189 R HN 0.490 nan 8.270 nan 0.000 0.453 190 I N 0.543 120.886 120.570 -0.379 0.000 2.399 190 I HA -0.321 3.856 4.170 0.011 0.000 0.254 190 I C 0.962 177.001 176.117 -0.130 0.000 1.146 190 I CA 1.479 62.727 61.300 -0.086 0.000 1.412 190 I CB 0.088 38.123 38.000 0.058 0.000 1.076 190 I HN 0.294 nan 8.210 nan 0.000 0.432 191 Q N 0.402 120.060 119.800 -0.238 0.000 2.360 191 Q HA -0.104 4.242 4.340 0.011 0.000 0.202 191 Q C 1.619 177.229 176.000 -0.648 0.000 0.915 191 Q CA 0.410 56.057 55.803 -0.259 0.000 0.943 191 Q CB -0.202 28.534 28.738 -0.004 0.000 1.064 191 Q HN 0.791 nan 8.270 nan 0.000 0.511 192 W N 0.579 121.198 121.300 -1.136 0.000 2.290 192 W HA -0.196 4.472 4.660 0.014 0.000 0.311 192 W C 1.219 177.429 176.519 -0.516 0.000 1.238 192 W CA 1.384 57.895 57.345 -1.390 0.000 1.255 192 W CB -1.377 27.444 29.460 -1.064 0.000 1.145 192 W HN 0.093 nan 8.180 nan 0.000 0.506 193 G N 1.137 109.058 108.800 -1.464 0.000 2.598 193 G HA2 -0.182 3.785 3.960 0.011 0.000 0.215 193 G HA3 -0.182 3.785 3.960 0.011 0.000 0.215 193 G C 1.303 175.915 174.900 -0.480 0.000 1.131 193 G CA 0.073 44.437 45.100 -1.226 0.000 0.785 193 G HN 0.139 nan 8.290 nan 0.000 0.539 194 K N 0.365 120.586 120.400 -0.299 0.000 3.127 194 K HA 0.277 4.604 4.320 0.011 0.000 0.236 194 K C -0.981 175.676 176.600 0.095 0.000 1.271 194 K CA -0.474 55.770 56.287 -0.071 0.000 1.224 194 K CB 0.054 32.545 32.500 -0.014 0.000 1.482 194 K HN 0.183 nan 8.250 nan 0.000 0.435 195 L N 1.475 122.762 121.223 0.106 0.000 2.307 195 L HA 0.283 4.630 4.340 0.011 0.000 0.284 195 L C -0.554 176.302 176.870 -0.024 0.000 1.023 195 L CA -0.418 54.514 54.840 0.154 0.000 0.810 195 L CB 1.647 43.885 42.059 0.297 0.000 1.231 195 L HN 0.047 nan 8.230 nan 0.000 0.423 196 Q N 3.606 123.327 119.800 -0.130 0.000 2.349 196 Q HA 0.400 4.746 4.340 0.011 0.000 0.254 196 Q C -1.503 174.117 176.000 -0.633 0.000 0.980 196 Q CA -0.185 55.380 55.803 -0.397 0.000 0.924 196 Q CB 0.983 29.416 28.738 -0.509 0.000 1.209 196 Q HN 0.517 nan 8.270 nan 0.000 0.445 197 V N 6.378 126.001 119.914 -0.485 0.000 2.353 197 V HA 0.309 4.436 4.120 0.011 0.000 0.264 197 V C -0.568 175.270 176.094 -0.427 0.000 1.049 197 V CA -0.435 61.626 62.300 -0.398 0.000 0.896 197 V CB -0.202 31.500 31.823 -0.202 0.000 1.025 197 V HN 0.595 nan 8.190 nan 0.000 0.475 198 F N 3.068 122.884 119.950 -0.222 0.000 2.390 198 F HA 0.359 4.890 4.527 0.006 0.000 0.361 198 F C 0.568 176.179 175.800 -0.316 0.000 1.124 198 F CA -1.210 56.634 58.000 -0.260 0.000 1.149 198 F CB 0.652 39.485 39.000 -0.277 0.000 1.160 198 F HN 0.432 nan 8.300 nan 0.000 0.501 199 D N 2.663 123.007 120.400 -0.094 0.000 2.304 199 D HA 0.494 5.140 4.640 0.011 0.000 0.250 199 D C -0.068 176.025 176.300 -0.346 0.000 1.107 199 D CA -0.011 53.867 54.000 -0.204 0.000 0.885 199 D CB 1.425 42.154 40.800 -0.119 0.000 1.192 199 D HN 0.628 nan 8.370 nan 0.000 0.436 200 A N 4.258 126.769 122.820 -0.516 0.000 2.579 200 A HA 0.155 4.481 4.320 0.011 0.000 0.254 200 A C 1.132 178.460 177.584 -0.426 0.000 0.873 200 A CA -0.415 51.139 52.037 -0.804 0.000 1.106 200 A CB 0.058 18.035 19.000 -1.705 0.000 1.222 200 A HN 0.583 nan 8.150 nan 0.000 0.470 201 R N 0.735 121.105 120.500 -0.216 0.000 2.339 201 R HA -0.047 4.299 4.340 0.011 0.000 0.199 201 R C 0.894 177.186 176.300 -0.013 0.000 1.018 201 R CA 1.124 57.178 56.100 -0.077 0.000 1.036 201 R CB 0.076 30.388 30.300 0.019 0.000 0.899 201 R HN 0.696 nan 8.270 nan 0.000 0.473 202 D N -0.410 119.993 120.400 0.005 0.000 2.301 202 D HA -0.077 4.569 4.640 0.011 0.000 0.206 202 D C 0.671 177.048 176.300 0.129 0.000 0.979 202 D CA -0.208 53.840 54.000 0.080 0.000 0.874 202 D CB -0.677 40.184 40.800 0.100 0.000 0.968 202 D HN -0.014 nan 8.370 nan 0.000 0.510 203 C N 1.983 121.377 119.300 0.156 0.000 2.431 203 C HA 0.145 4.612 4.460 0.011 0.000 0.397 203 C C 1.845 176.985 174.990 0.251 0.000 1.436 203 C CA 1.160 60.336 59.018 0.262 0.000 1.596 203 C CB -0.667 27.264 27.740 0.319 0.000 2.550 203 C HN 0.546 nan 8.230 nan 0.000 0.596 204 S N 2.022 117.921 115.700 0.331 0.000 2.684 204 S HA 0.231 4.708 4.470 0.011 0.000 0.268 204 S C 0.103 174.896 174.600 0.321 0.000 1.075 204 S CA 0.374 58.805 58.200 0.384 0.000 1.184 204 S CB -0.151 63.188 63.200 0.233 0.000 1.129 204 S HN 1.239 nan 8.310 nan 0.000 0.630 205 S N 0.250 116.117 115.700 0.278 0.000 2.599 205 S HA 0.851 5.328 4.470 0.011 0.000 0.294 205 S C 0.984 175.695 174.600 0.185 0.000 1.094 205 S CA -0.194 58.115 58.200 0.182 0.000 0.931 205 S CB 1.508 64.789 63.200 0.134 0.000 1.093 205 S HN 0.512 nan 8.310 nan 0.000 0.488 206 A N 0.968 123.864 122.820 0.128 0.000 1.969 206 A HA -0.021 4.306 4.320 0.011 0.000 0.218 206 A C 2.114 179.709 177.584 0.018 0.000 1.169 206 A CA 1.824 53.927 52.037 0.110 0.000 0.635 206 A CB -1.143 17.968 19.000 0.185 0.000 0.810 206 A HN 0.921 nan 8.150 nan 0.000 0.445 207 Q N 0.405 120.284 119.800 0.131 0.000 2.124 207 Q HA -0.194 4.152 4.340 0.011 0.000 0.202 207 Q C 1.837 177.831 176.000 -0.010 0.000 0.977 207 Q CA 2.291 58.132 55.803 0.064 0.000 0.850 207 Q CB -0.360 28.487 28.738 0.181 0.000 0.901 207 Q HN 0.746 nan 8.270 nan 0.000 0.429 208 E N -0.785 119.449 120.200 0.058 0.000 2.106 208 E HA -0.150 4.206 4.350 0.011 0.000 0.192 208 E C 1.858 178.537 176.600 0.132 0.000 0.984 208 E CA 1.068 57.507 56.400 0.066 0.000 0.806 208 E CB -0.086 29.697 29.700 0.139 0.000 0.750 208 E HN 0.477 nan 8.360 nan 0.000 0.458 209 M N -0.235 119.442 119.600 0.128 0.000 2.159 209 M HA -0.132 4.355 4.480 0.011 0.000 0.263 209 M C 2.059 178.394 176.300 0.058 0.000 1.063 209 M CA 1.312 56.671 55.300 0.099 0.000 1.110 209 M CB -0.278 32.198 32.600 -0.206 0.000 1.374 209 M HN 0.213 nan 8.290 nan 0.000 0.411 210 F N 0.928 120.676 119.950 -0.336 0.000 2.171 210 F HA -0.216 4.319 4.527 0.013 0.000 0.300 210 F C 2.226 177.918 175.800 -0.180 0.000 1.090 210 F CA 1.677 59.425 58.000 -0.421 0.000 1.293 210 F CB -0.114 38.332 39.000 -0.923 0.000 1.013 210 F HN 0.056 nan 8.300 nan 0.000 0.486 211 T N -0.452 113.987 114.554 -0.190 0.000 2.701 211 T HA -0.224 4.132 4.350 0.011 0.000 0.263 211 T C 1.594 176.151 174.700 -0.240 0.000 1.040 211 T CA 1.826 63.765 62.100 -0.268 0.000 1.147 211 T CB -0.904 67.817 68.868 -0.245 0.000 0.865 211 T HN 0.341 nan 8.240 nan 0.000 0.426 212 Y N 1.267 121.526 120.300 -0.068 0.000 2.053 212 Y HA -0.176 4.380 4.550 0.009 0.000 0.277 212 Y C 2.462 178.319 175.900 -0.071 0.000 1.159 212 Y CA 1.090 59.156 58.100 -0.056 0.000 1.125 212 Y CB -0.499 38.007 38.460 0.075 0.000 0.969 212 Y HN 0.110 nan 8.280 nan 0.000 0.492 213 I N -1.085 119.581 120.570 0.160 0.000 2.145 213 I HA -0.435 3.741 4.170 0.011 0.000 0.244 213 I C 2.485 178.541 176.117 -0.102 0.000 1.075 213 I CA 1.387 62.699 61.300 0.020 0.000 1.332 213 I CB -0.733 37.237 38.000 -0.050 0.000 1.033 213 I HN 0.377 nan 8.210 nan 0.000 0.410 214 C N 0.645 119.760 119.300 -0.308 0.000 2.413 214 C HA -0.158 4.309 4.460 0.011 0.000 0.277 214 C C 2.623 177.526 174.990 -0.146 0.000 1.265 214 C CA 1.146 59.974 59.018 -0.318 0.000 1.752 214 C CB -1.515 25.912 27.740 -0.521 0.000 1.998 214 C HN 0.545 nan 8.230 nan 0.000 0.489 215 N N -0.227 118.393 118.700 -0.133 0.000 2.142 215 N HA -0.121 4.625 4.740 0.011 0.000 0.186 215 N C 1.451 176.914 175.510 -0.078 0.000 1.023 215 N CA 1.427 54.400 53.050 -0.128 0.000 0.852 215 N CB -0.711 37.659 38.487 -0.194 0.000 0.998 215 N HN 0.744 nan 8.380 nan 0.000 0.424 216 H N 0.292 119.279 119.070 -0.138 0.000 2.319 216 H HA 0.034 4.598 4.556 0.013 0.000 0.299 216 H C 1.943 177.325 175.328 0.090 0.000 1.092 216 H CA 1.679 57.717 56.048 -0.017 0.000 1.302 216 H CB -0.097 29.684 29.762 0.031 0.000 1.373 216 H HN 0.123 nan 8.280 nan 0.000 0.497 217 I N 0.533 121.268 120.570 0.275 0.000 2.286 217 I HA -0.263 3.913 4.170 0.011 0.000 0.248 217 I C 2.362 178.558 176.117 0.132 0.000 1.115 217 I CA 1.361 62.775 61.300 0.189 0.000 1.392 217 I CB -0.265 37.768 38.000 0.055 0.000 1.065 217 I HN 0.325 nan 8.210 nan 0.000 0.418 218 K N 0.112 120.563 120.400 0.085 0.000 2.002 218 K HA -0.245 4.081 4.320 0.011 0.000 0.209 218 K C 2.255 178.915 176.600 0.100 0.000 1.048 218 K CA 1.911 58.236 56.287 0.063 0.000 0.930 218 K CB -0.461 32.055 32.500 0.027 0.000 0.714 218 K HN 0.227 nan 8.250 nan 0.000 0.438 219 Y N 1.222 121.526 120.300 0.007 0.000 2.181 219 Y HA -0.218 4.335 4.550 0.005 0.000 0.288 219 Y C 2.176 178.125 175.900 0.082 0.000 1.146 219 Y CA 1.471 59.600 58.100 0.049 0.000 1.164 219 Y CB -0.279 38.229 38.460 0.080 0.000 0.982 219 Y HN 0.065 nan 8.280 nan 0.000 0.515 220 A N -0.836 122.137 122.820 0.255 0.000 1.898 220 A HA -0.137 4.189 4.320 0.011 0.000 0.216 220 A C 2.188 179.839 177.584 0.112 0.000 1.181 220 A CA 2.118 54.268 52.037 0.187 0.000 0.620 220 A CB -1.229 17.923 19.000 0.253 0.000 0.819 220 A HN 0.498 nan 8.150 nan 0.000 0.442 221 T N -0.174 114.444 114.554 0.108 0.000 2.777 221 T HA -0.105 4.251 4.350 0.011 0.000 0.266 221 T C 1.125 175.840 174.700 0.026 0.000 1.040 221 T CA 1.163 63.316 62.100 0.087 0.000 1.141 221 T CB -0.455 68.462 68.868 0.081 0.000 0.868 221 T HN 0.657 nan 8.240 nan 0.000 0.444 222 N N 1.094 119.781 118.700 -0.022 0.000 2.708 222 N HA -0.279 4.467 4.740 0.011 0.000 0.251 222 N C -0.056 175.430 175.510 -0.040 0.000 1.017 222 N CA 0.745 53.752 53.050 -0.071 0.000 0.742 222 N CB -1.228 37.167 38.487 -0.153 0.000 0.943 222 N HN 0.516 nan 8.380 nan 0.000 0.539 223 R N -2.990 117.501 120.500 -0.015 0.000 3.878 223 R HA -0.193 4.154 4.340 0.011 0.000 0.330 223 R C 1.297 177.588 176.300 -0.015 0.000 1.186 223 R CA 1.198 57.289 56.100 -0.014 0.000 0.885 223 R CB -1.854 28.431 30.300 -0.024 0.000 1.377 223 R HN 0.935 nan 8.270 nan 0.000 0.523 224 G N -0.254 108.547 108.800 0.001 0.000 2.307 224 G HA2 -0.321 3.646 3.960 0.011 0.000 0.210 224 G HA3 -0.321 3.646 3.960 0.011 0.000 0.210 224 G C 0.012 174.908 174.900 -0.007 0.000 1.005 224 G CA 0.005 45.108 45.100 0.005 0.000 0.634 224 G HN 0.331 nan 8.290 nan 0.000 0.496 225 N N 2.203 120.882 118.700 -0.035 0.000 3.245 225 N HA 0.394 5.140 4.740 0.011 0.000 0.296 225 N C 0.935 176.414 175.510 -0.051 0.000 1.254 225 N CA -0.253 52.755 53.050 -0.069 0.000 1.190 225 N CB -0.758 37.683 38.487 -0.076 0.000 1.460 225 N HN 0.514 nan 8.380 nan 0.000 0.538 226 L N 0.980 122.205 121.223 0.004 0.000 2.554 226 L HA -0.004 4.342 4.340 0.011 0.000 0.293 226 L C 0.663 177.643 176.870 0.184 0.000 1.252 226 L CA 0.549 55.464 54.840 0.126 0.000 0.862 226 L CB 0.113 42.340 42.059 0.280 0.000 1.113 226 L HN 0.295 nan 8.230 nan 0.000 0.510 227 R N 1.253 121.883 120.500 0.217 0.000 2.538 227 R HA 0.321 4.668 4.340 0.011 0.000 0.292 227 R C -0.812 175.648 176.300 0.267 0.000 1.008 227 R CA -0.682 55.564 56.100 0.242 0.000 0.896 227 R CB 2.015 32.328 30.300 0.022 0.000 1.187 227 R HN 0.583 nan 8.270 nan 0.000 0.440 228 S N 1.476 117.334 115.700 0.263 0.000 2.558 228 S HA 0.352 4.829 4.470 0.011 0.000 0.293 228 S C -0.112 174.526 174.600 0.064 0.000 1.292 228 S CA 0.049 58.303 58.200 0.089 0.000 1.063 228 S CB 0.913 64.170 63.200 0.095 0.000 0.831 228 S HN 0.709 nan 8.310 nan 0.000 0.499 229 A N 2.499 125.312 122.820 -0.012 0.000 2.608 229 A HA 0.785 5.112 4.320 0.011 0.000 0.292 229 A C -1.307 176.295 177.584 0.029 0.000 1.066 229 A CA -0.671 51.292 52.037 -0.124 0.000 0.676 229 A CB 1.159 20.033 19.000 -0.211 0.000 1.277 229 A HN 0.815 nan 8.150 nan 0.000 0.413 230 I N 0.552 121.125 120.570 0.005 0.000 2.692 230 I HA 0.603 4.780 4.170 0.011 0.000 0.293 230 I C -1.231 174.974 176.117 0.148 0.000 1.200 230 I CA -0.088 61.336 61.300 0.206 0.000 1.036 230 I CB 2.338 40.408 38.000 0.117 0.000 1.258 230 I HN 0.588 nan 8.210 nan 0.000 0.421 231 T N 6.576 121.246 114.554 0.194 0.000 2.772 231 T HA 0.413 4.770 4.350 0.011 0.000 0.288 231 T C -0.583 173.906 174.700 -0.351 0.000 0.994 231 T CA -0.305 61.752 62.100 -0.072 0.000 0.951 231 T CB 1.229 70.046 68.868 -0.084 0.000 0.933 231 T HN 0.275 nan 8.240 nan 0.000 0.447 232 V N 5.576 125.227 119.914 -0.438 0.000 2.364 232 V HA 0.457 4.583 4.120 0.011 0.000 0.272 232 V C -0.271 175.509 176.094 -0.523 0.000 1.036 232 V CA -0.667 61.377 62.300 -0.427 0.000 0.880 232 V CB -0.093 31.434 31.823 -0.493 0.000 0.991 232 V HN 0.694 nan 8.190 nan 0.000 0.460 233 F N 5.142 125.010 119.950 -0.138 0.000 2.410 233 F HA 0.533 5.067 4.527 0.013 0.000 0.324 233 F C -1.821 173.897 175.800 -0.137 0.000 1.093 233 F CA -2.513 55.335 58.000 -0.254 0.000 1.028 233 F CB 0.325 39.146 39.000 -0.298 0.000 1.309 233 F HN 0.292 nan 8.300 nan 0.000 0.499 234 P HA -0.031 nan 4.420 nan 0.000 0.264 234 P C -1.111 176.211 177.300 0.036 0.000 1.179 234 P CA 0.047 63.099 63.100 -0.081 0.000 0.763 234 P CB 0.193 31.755 31.700 -0.231 0.000 0.806 235 Q N 2.740 122.452 119.800 -0.145 0.000 2.382 235 Q HA 0.292 4.638 4.340 0.011 0.000 0.229 235 Q C -0.291 175.578 176.000 -0.219 0.000 1.006 235 Q CA -0.717 54.792 55.803 -0.490 0.000 0.916 235 Q CB 0.611 28.755 28.738 -0.991 0.000 1.235 235 Q HN 0.287 nan 8.270 nan 0.000 0.512 236 R N 0.286 120.648 120.500 -0.231 0.000 2.484 236 R HA 0.240 4.587 4.340 0.011 0.000 0.293 236 R C -0.640 175.592 176.300 -0.114 0.000 1.023 236 R CA 0.345 56.380 56.100 -0.108 0.000 1.037 236 R CB 0.323 30.560 30.300 -0.106 0.000 0.951 236 R HN 0.636 nan 8.270 nan 0.000 0.418 237 A N 5.800 128.594 122.820 -0.043 0.000 2.317 237 A HA 0.479 4.806 4.320 0.011 0.000 0.327 237 A C -2.269 175.305 177.584 -0.018 0.000 1.178 237 A CA -2.068 49.949 52.037 -0.033 0.000 0.817 237 A CB 0.849 19.856 19.000 0.012 0.000 1.189 237 A HN 0.443 nan 8.150 nan 0.000 0.489 238 P HA 0.208 nan 4.420 nan 0.000 0.258 238 P C 1.219 178.521 177.300 0.004 0.000 1.172 238 P CA 2.194 65.291 63.100 -0.006 0.000 0.762 238 P CB 0.553 32.254 31.700 0.001 0.000 0.764 239 G N 2.970 111.771 108.800 0.002 0.000 3.444 239 G HA2 -0.311 3.656 3.960 0.011 0.000 0.222 239 G HA3 -0.311 3.656 3.960 0.011 0.000 0.222 239 G C 0.581 175.485 174.900 0.007 0.000 1.358 239 G CA -0.165 44.938 45.100 0.006 0.000 0.880 239 G HN 0.725 nan 8.290 nan 0.000 0.555 240 R N 2.895 123.401 120.500 0.010 0.000 2.623 240 R HA 0.390 4.736 4.340 0.011 0.000 0.271 240 R C 1.141 177.443 176.300 0.003 0.000 1.043 240 R CA 0.666 56.772 56.100 0.010 0.000 1.083 240 R CB -0.123 30.191 30.300 0.024 0.000 0.974 240 R HN 0.667 nan 8.270 nan 0.000 0.436 241 G N 2.856 111.650 108.800 -0.011 0.000 2.554 241 G HA2 -0.006 3.961 3.960 0.011 0.000 0.238 241 G HA3 -0.006 3.961 3.960 0.011 0.000 0.238 241 G C -0.572 174.314 174.900 -0.024 0.000 1.259 241 G CA -0.481 44.608 45.100 -0.019 0.000 0.843 241 G HN 0.629 nan 8.290 nan 0.000 0.582 242 D N -0.185 120.218 120.400 0.004 0.000 2.339 242 D HA 0.275 4.922 4.640 0.011 0.000 0.245 242 D C -0.128 176.196 176.300 0.041 0.000 1.115 242 D CA 0.151 54.184 54.000 0.054 0.000 0.917 242 D CB 0.817 41.652 40.800 0.059 0.000 1.192 242 D HN 0.129 nan 8.370 nan 0.000 0.428 243 F N 1.169 121.142 119.950 0.038 0.000 2.410 243 F HA 0.348 4.882 4.527 0.012 0.000 0.348 243 F C 1.130 176.953 175.800 0.038 0.000 1.106 243 F CA 0.130 58.144 58.000 0.022 0.000 1.163 243 F CB 0.734 39.741 39.000 0.012 0.000 1.129 243 F HN -0.136 nan 8.300 nan 0.000 0.516 244 R N 3.879 124.497 120.500 0.198 0.000 2.707 244 R HA 0.566 4.913 4.340 0.011 0.000 0.272 244 R C -1.586 174.855 176.300 0.236 0.000 1.011 244 R CA -0.972 55.250 56.100 0.203 0.000 0.893 244 R CB 2.648 33.069 30.300 0.203 0.000 1.233 244 R HN 0.558 nan 8.270 nan 0.000 0.464 245 I N 1.329 122.029 120.570 0.216 0.000 2.382 245 I HA 0.178 4.354 4.170 0.011 0.000 0.286 245 I C 0.387 176.710 176.117 0.343 0.000 1.002 245 I CA -0.551 60.887 61.300 0.229 0.000 1.135 245 I CB 1.286 39.349 38.000 0.104 0.000 1.288 245 I HN 0.569 nan 8.210 nan 0.000 0.448 246 W N 3.265 124.612 121.300 0.079 0.000 2.381 246 W HA -0.098 4.569 4.660 0.010 0.000 0.301 246 W C 0.999 177.644 176.519 0.210 0.000 1.205 246 W CA 0.287 57.756 57.345 0.206 0.000 1.285 246 W CB -0.868 28.733 29.460 0.235 0.000 1.133 246 W HN 0.416 nan 8.180 nan 0.000 0.521 247 N N 0.315 119.200 118.700 0.308 0.000 2.441 247 N HA 0.004 4.751 4.740 0.011 0.000 0.251 247 N C 1.276 176.851 175.510 0.108 0.000 1.242 247 N CA 0.891 54.043 53.050 0.171 0.000 0.898 247 N CB 0.561 39.086 38.487 0.064 0.000 1.100 247 N HN -0.066 nan 8.380 nan 0.000 0.443 248 S N 0.703 116.458 115.700 0.091 0.000 2.428 248 S HA -0.079 4.397 4.470 0.011 0.000 0.230 248 S C 0.362 174.951 174.600 -0.018 0.000 1.014 248 S CA 0.757 58.985 58.200 0.048 0.000 0.957 248 S CB 0.014 63.262 63.200 0.080 0.000 0.784 248 S HN 0.668 nan 8.310 nan 0.000 0.499 249 Q N -0.713 119.066 119.800 -0.035 0.000 2.421 249 Q HA 0.502 4.848 4.340 0.011 0.000 0.280 249 Q C 0.168 176.083 176.000 -0.141 0.000 1.085 249 Q CA -0.536 55.201 55.803 -0.110 0.000 0.807 249 Q CB 1.990 30.682 28.738 -0.077 0.000 1.405 249 Q HN 0.130 nan 8.270 nan 0.000 0.419 250 L N 0.291 121.401 121.223 -0.187 0.000 2.265 250 L HA 0.016 4.362 4.340 0.011 0.000 0.215 250 L C 0.232 176.965 176.870 -0.227 0.000 1.117 250 L CA 0.776 55.511 54.840 -0.174 0.000 0.782 250 L CB 0.114 42.060 42.059 -0.189 0.000 0.914 250 L HN 0.250 nan 8.230 nan 0.000 0.441 251 V N 0.645 120.339 119.914 -0.367 0.000 2.482 251 V HA 0.474 4.600 4.120 0.011 0.000 0.295 251 V C -0.312 175.309 176.094 -0.788 0.000 1.026 251 V CA -0.686 61.249 62.300 -0.608 0.000 0.856 251 V CB 1.922 33.232 31.823 -0.854 0.000 1.001 251 V HN 0.158 nan 8.190 nan 0.000 0.424 252 R N 2.703 122.892 120.500 -0.520 0.000 2.739 252 R HA 0.546 4.893 4.340 0.011 0.000 0.271 252 R C -1.890 174.289 176.300 -0.201 0.000 1.010 252 R CA -0.859 55.054 56.100 -0.312 0.000 0.897 252 R CB 2.627 32.873 30.300 -0.089 0.000 1.236 252 R HN 0.533 nan 8.270 nan 0.000 0.466 253 Y N 0.324 120.667 120.300 0.073 0.000 2.323 253 Y HA 0.419 4.975 4.550 0.011 0.000 0.331 253 Y C 0.833 176.711 175.900 -0.036 0.000 1.092 253 Y CA -0.906 57.223 58.100 0.047 0.000 1.150 253 Y CB 1.284 39.827 38.460 0.138 0.000 1.200 253 Y HN 0.695 nan 8.280 nan 0.000 0.472 254 A N 1.720 124.575 122.820 0.060 0.000 2.520 254 A HA 0.481 4.807 4.320 0.011 0.000 0.235 254 A C 0.697 178.042 177.584 -0.398 0.000 1.065 254 A CA 0.378 52.295 52.037 -0.199 0.000 0.764 254 A CB -0.298 18.536 19.000 -0.276 0.000 1.002 254 A HN 0.962 nan 8.150 nan 0.000 0.502 255 G N 1.142 109.741 108.800 -0.335 0.000 2.744 255 G HA2 0.522 4.488 3.960 0.011 0.000 0.309 255 G HA3 0.522 4.488 3.960 0.011 0.000 0.309 255 G C -0.785 174.016 174.900 -0.165 0.000 1.328 255 G CA -0.308 44.640 45.100 -0.254 0.000 1.034 255 G HN 0.606 nan 8.290 nan 0.000 0.518 256 Y N 1.860 122.178 120.300 0.031 0.000 2.425 256 Y HA 0.331 4.887 4.550 0.011 0.000 0.347 256 Y C 1.088 176.990 175.900 0.004 0.000 0.976 256 Y CA -1.141 56.975 58.100 0.027 0.000 1.190 256 Y CB 1.071 39.542 38.460 0.019 0.000 1.136 256 Y HN 0.458 nan 8.280 nan 0.000 0.517 257 R N 3.189 123.786 120.500 0.161 0.000 2.489 257 R HA 0.047 4.393 4.340 0.011 0.000 0.287 257 R C -0.316 176.029 176.300 0.075 0.000 1.053 257 R CA 0.041 56.192 56.100 0.086 0.000 1.036 257 R CB 0.353 30.692 30.300 0.066 0.000 0.966 257 R HN 0.568 nan 8.270 nan 0.000 0.432 258 Q N 2.599 122.428 119.800 0.049 0.000 2.169 258 Q HA 0.101 4.447 4.340 0.011 0.000 0.234 258 Q C 0.609 176.618 176.000 0.016 0.000 0.980 258 Q CA -0.503 55.319 55.803 0.031 0.000 0.941 258 Q CB 1.055 29.809 28.738 0.026 0.000 1.199 258 Q HN 0.628 nan 8.270 nan 0.000 0.496 259 Q N 0.591 120.394 119.800 0.006 0.000 2.046 259 Q HA -0.154 4.192 4.340 0.011 0.000 0.200 259 Q C 0.942 176.943 176.000 0.003 0.000 0.975 259 Q CA 1.871 57.675 55.803 0.000 0.000 0.836 259 Q CB -0.224 28.510 28.738 -0.007 0.000 0.896 259 Q HN 0.722 nan 8.270 nan 0.000 0.428 260 D N -1.309 119.093 120.400 0.003 0.000 2.338 260 D HA 0.105 4.752 4.640 0.011 0.000 0.239 260 D C 0.992 177.296 176.300 0.007 0.000 1.095 260 D CA 0.745 54.747 54.000 0.004 0.000 0.888 260 D CB -0.066 40.736 40.800 0.003 0.000 0.899 260 D HN 0.299 nan 8.370 nan 0.000 0.525 261 G N -0.231 108.575 108.800 0.010 0.000 2.299 261 G HA2 -0.352 3.615 3.960 0.011 0.000 0.237 261 G HA3 -0.352 3.615 3.960 0.011 0.000 0.237 261 G C 0.744 175.653 174.900 0.014 0.000 1.027 261 G CA 0.425 45.533 45.100 0.012 0.000 0.619 261 G HN 0.840 nan 8.290 nan 0.000 0.513 262 S N -0.736 114.971 115.700 0.013 0.000 2.632 262 S HA 0.636 5.112 4.470 0.011 0.000 0.254 262 S C 0.102 174.710 174.600 0.012 0.000 1.291 262 S CA 0.289 58.495 58.200 0.010 0.000 0.974 262 S CB 1.827 65.032 63.200 0.007 0.000 1.016 262 S HN 1.233 nan 8.310 nan 0.000 0.579 263 V N 0.879 120.792 119.914 -0.002 0.000 2.569 263 V HA 0.487 4.614 4.120 0.011 0.000 0.301 263 V C -0.114 175.960 176.094 -0.034 0.000 1.044 263 V CA -0.703 61.592 62.300 -0.009 0.000 0.874 263 V CB 1.489 33.290 31.823 -0.037 0.000 1.002 263 V HN 0.888 nan 8.190 nan 0.000 0.424 264 R N 2.980 123.490 120.500 0.017 0.000 2.254 264 R HA 0.674 5.021 4.340 0.011 0.000 0.318 264 R C 0.704 176.941 176.300 -0.106 0.000 1.031 264 R CA 1.023 57.127 56.100 0.007 0.000 0.905 264 R CB 1.021 31.402 30.300 0.135 0.000 1.050 264 R HN 1.178 nan 8.270 nan 0.000 0.456 265 G N 2.987 111.647 108.800 -0.234 0.000 2.443 265 G HA2 -0.238 3.728 3.960 0.011 0.000 0.209 265 G HA3 -0.238 3.728 3.960 0.011 0.000 0.209 265 G C -1.391 173.136 174.900 -0.622 0.000 1.176 265 G CA -0.093 44.792 45.100 -0.358 0.000 1.074 265 G HN 0.625 nan 8.290 nan 0.000 0.577 266 D N 1.478 121.637 120.400 -0.402 0.000 2.373 266 D HA 0.606 5.252 4.640 0.011 0.000 0.227 266 D C -1.077 175.118 176.300 -0.175 0.000 1.091 266 D CA -2.053 51.710 54.000 -0.394 0.000 0.840 266 D CB 1.627 42.529 40.800 0.170 0.000 1.060 266 D HN -0.022 nan 8.370 nan 0.000 0.502 267 P HA -0.164 nan 4.420 nan 0.000 0.217 267 P C 1.070 178.383 177.300 0.020 0.000 1.148 267 P CA 1.485 64.551 63.100 -0.057 0.000 0.828 267 P CB 0.247 31.927 31.700 -0.033 0.000 0.783 268 A N 0.008 122.863 122.820 0.059 0.000 1.917 268 A HA -0.211 4.116 4.320 0.011 0.000 0.219 268 A C 1.619 179.264 177.584 0.102 0.000 1.182 268 A CA 1.793 53.899 52.037 0.114 0.000 0.633 268 A CB -1.200 17.899 19.000 0.166 0.000 0.819 268 A HN 0.218 nan 8.150 nan 0.000 0.448 269 N N -0.021 118.727 118.700 0.081 0.000 2.378 269 N HA 0.187 4.934 4.740 0.011 0.000 0.243 269 N C 0.928 176.457 175.510 0.032 0.000 1.137 269 N CA 0.179 53.268 53.050 0.066 0.000 0.862 269 N CB 0.765 39.290 38.487 0.064 0.000 1.116 269 N HN 0.254 nan 8.380 nan 0.000 0.499 270 V N 0.659 120.592 119.914 0.032 0.000 2.307 270 V HA -0.224 3.902 4.120 0.011 0.000 0.245 270 V C 2.505 178.619 176.094 0.034 0.000 1.045 270 V CA 1.722 64.040 62.300 0.030 0.000 1.024 270 V CB -0.253 31.589 31.823 0.032 0.000 0.651 270 V HN 0.307 nan 8.190 nan 0.000 0.449 271 E N 0.395 120.615 120.200 0.033 0.000 2.058 271 E HA -0.269 4.088 4.350 0.011 0.000 0.194 271 E C 1.919 178.469 176.600 -0.083 0.000 0.997 271 E CA 1.923 58.318 56.400 -0.009 0.000 0.801 271 E CB -0.401 29.331 29.700 0.054 0.000 0.746 271 E HN 0.462 nan 8.360 nan 0.000 0.450 272 I N 0.231 120.783 120.570 -0.030 0.000 2.614 272 I HA -0.136 4.041 4.170 0.011 0.000 0.258 272 I C 1.695 177.802 176.117 -0.016 0.000 1.189 272 I CA 1.338 62.608 61.300 -0.049 0.000 1.462 272 I CB -0.231 37.799 38.000 0.051 0.000 1.092 272 I HN 0.135 nan 8.210 nan 0.000 0.442 273 T N -0.061 114.513 114.554 0.032 0.000 2.894 273 T HA -0.047 4.310 4.350 0.011 0.000 0.258 273 T C 1.622 176.426 174.700 0.173 0.000 1.043 273 T CA 1.106 63.282 62.100 0.128 0.000 1.141 273 T CB -0.161 68.809 68.868 0.171 0.000 0.873 273 T HN 0.412 nan 8.240 nan 0.000 0.449 274 E N 1.036 121.296 120.200 0.100 0.000 2.265 274 E HA -0.011 4.345 4.350 0.011 0.000 0.196 274 E C 1.938 178.571 176.600 0.055 0.000 0.996 274 E CA 0.636 57.083 56.400 0.078 0.000 0.832 274 E CB -0.205 29.513 29.700 0.030 0.000 0.756 274 E HN 0.403 nan 8.360 nan 0.000 0.491 275 L N -0.140 121.091 121.223 0.013 0.000 2.209 275 L HA -0.072 4.275 4.340 0.011 0.000 0.207 275 L C 2.217 179.196 176.870 0.181 0.000 1.094 275 L CA 0.310 55.179 54.840 0.049 0.000 0.790 275 L CB 0.031 42.003 42.059 -0.145 0.000 0.932 275 L HN 0.267 nan 8.230 nan 0.000 0.447 276 C N -0.247 119.131 119.300 0.130 0.000 2.448 276 C HA -0.054 4.412 4.460 0.011 0.000 0.280 276 C C 2.586 177.759 174.990 0.304 0.000 1.398 276 C CA 0.396 59.507 59.018 0.156 0.000 1.774 276 C CB -0.545 27.219 27.740 0.040 0.000 1.888 276 C HN 0.422 nan 8.230 nan 0.000 0.519 277 I N 0.152 120.893 120.570 0.284 0.000 2.339 277 I HA -0.158 4.018 4.170 0.011 0.000 0.245 277 I C 2.452 178.630 176.117 0.103 0.000 1.096 277 I CA 1.147 62.574 61.300 0.211 0.000 1.408 277 I CB -0.613 37.484 38.000 0.162 0.000 1.092 277 I HN 0.326 nan 8.210 nan 0.000 0.423 278 Q N 0.136 119.979 119.800 0.071 0.000 2.443 278 Q HA -0.184 4.163 4.340 0.011 0.000 0.213 278 Q C 1.121 177.018 176.000 -0.172 0.000 0.982 278 Q CA 0.934 56.708 55.803 -0.048 0.000 0.894 278 Q CB -0.072 28.625 28.738 -0.067 0.000 0.947 278 Q HN 0.607 nan 8.270 nan 0.000 0.480 279 H N -1.956 117.112 119.070 -0.004 0.000 2.542 279 H HA 0.202 4.765 4.556 0.011 0.000 0.283 279 H C 0.995 176.307 175.328 -0.027 0.000 1.059 279 H CA 0.695 56.717 56.048 -0.043 0.000 1.162 279 H CB 1.348 31.052 29.762 -0.097 0.000 1.539 279 H HN 0.421 nan 8.280 nan 0.000 0.543 280 G N 0.864 109.712 108.800 0.081 0.000 2.179 280 G HA2 -0.237 3.730 3.960 0.011 0.000 0.220 280 G HA3 -0.237 3.730 3.960 0.011 0.000 0.220 280 G C -0.065 174.905 174.900 0.117 0.000 0.990 280 G CA -0.023 45.110 45.100 0.055 0.000 0.646 280 G HN 0.350 nan 8.290 nan 0.000 0.517 281 W N 2.707 123.996 121.300 -0.019 0.000 2.216 281 W HA 0.621 5.288 4.660 0.011 0.000 0.326 281 W C 0.252 176.766 176.519 -0.007 0.000 1.319 281 W CA 0.449 57.785 57.345 -0.014 0.000 1.213 281 W CB 0.787 30.253 29.460 0.010 0.000 1.171 281 W HN 0.041 nan 8.180 nan 0.000 0.557 282 T N 9.489 123.680 114.554 -0.604 0.000 2.794 282 T HA 0.177 4.534 4.350 0.011 0.000 0.304 282 T C -2.122 171.817 174.700 -1.269 0.000 0.973 282 T CA -0.957 60.754 62.100 -0.649 0.000 0.972 282 T CB 0.202 68.844 68.868 -0.376 0.000 0.952 282 T HN 0.230 nan 8.240 nan 0.000 0.509 283 P HA 0.202 nan 4.420 nan 0.000 0.268 283 P C 0.475 177.332 177.300 -0.738 0.000 1.205 283 P CA -0.090 62.261 63.100 -1.247 0.000 0.771 283 P CB 0.920 32.278 31.700 -0.570 0.000 0.858 284 G N 2.144 110.664 108.800 -0.468 0.000 2.695 284 G HA2 0.379 4.346 3.960 0.011 0.000 0.213 284 G HA3 0.379 4.346 3.960 0.011 0.000 0.213 284 G C -0.294 174.380 174.900 -0.377 0.000 1.406 284 G CA -0.676 44.297 45.100 -0.210 0.000 1.049 284 G HN 0.707 nan 8.290 nan 0.000 0.573 285 N N -1.578 117.059 118.700 -0.105 0.000 2.635 285 N HA 0.426 5.173 4.740 0.011 0.000 0.252 285 N C -0.211 175.379 175.510 0.133 0.000 1.589 285 N CA -0.040 52.938 53.050 -0.119 0.000 0.828 285 N CB 0.877 39.254 38.487 -0.183 0.000 1.403 285 N HN 0.752 nan 8.380 nan 0.000 0.518 286 G N -0.192 108.800 108.800 0.319 0.000 3.140 286 G HA2 0.425 4.392 3.960 0.011 0.000 0.271 286 G HA3 0.425 4.392 3.960 0.011 0.000 0.271 286 G C 0.126 175.066 174.900 0.067 0.000 1.370 286 G CA -0.946 44.256 45.100 0.169 0.000 1.014 286 G HN 0.146 nan 8.290 nan 0.000 0.541 287 R N -1.311 119.104 120.500 -0.142 0.000 2.254 287 R HA 0.181 4.528 4.340 0.011 0.000 0.195 287 R C -0.136 175.530 176.300 -1.056 0.000 0.957 287 R CA 0.615 56.383 56.100 -0.554 0.000 1.024 287 R CB 0.198 30.052 30.300 -0.743 0.000 0.952 287 R HN 0.360 nan 8.270 nan 0.000 0.484 288 F N 0.910 120.750 119.950 -0.184 0.000 2.623 288 F HA 0.270 4.803 4.527 0.011 0.000 0.361 288 F C -0.685 174.946 175.800 -0.282 0.000 1.469 288 F CA -1.105 56.492 58.000 -0.672 0.000 1.126 288 F CB 0.601 39.072 39.000 -0.881 0.000 1.221 288 F HN -0.291 nan 8.300 nan 0.000 0.536 289 D N 1.651 122.106 120.400 0.092 0.000 2.295 289 D HA 0.170 4.816 4.640 0.011 0.000 0.248 289 D C 0.171 176.684 176.300 0.355 0.000 1.154 289 D CA 0.080 54.250 54.000 0.283 0.000 0.857 289 D CB 2.371 43.428 40.800 0.427 0.000 1.117 289 D HN -0.047 nan 8.370 nan 0.000 0.468 290 V N 4.375 124.493 119.914 0.339 0.000 2.421 290 V HA -0.012 4.115 4.120 0.011 0.000 0.271 290 V C 1.054 177.156 176.094 0.013 0.000 1.031 290 V CA -0.276 62.153 62.300 0.214 0.000 1.032 290 V CB -0.218 31.697 31.823 0.153 0.000 1.009 290 V HN 0.349 nan 8.190 nan 0.000 0.477 291 L N 8.791 129.939 121.223 -0.125 0.000 2.499 291 L HA 0.211 4.558 4.340 0.011 0.000 0.281 291 L C -1.569 175.056 176.870 -0.408 0.000 1.234 291 L CA -0.961 53.624 54.840 -0.424 0.000 0.839 291 L CB 0.423 42.293 42.059 -0.315 0.000 1.104 291 L HN 0.464 nan 8.230 nan 0.000 0.500 292 P HA 0.246 nan 4.420 nan 0.000 0.282 292 P C -1.081 176.087 177.300 -0.220 0.000 1.259 292 P CA -0.596 62.270 63.100 -0.390 0.000 0.826 292 P CB 1.071 32.419 31.700 -0.586 0.000 1.064 293 L N 1.639 122.833 121.223 -0.048 0.000 2.349 293 L HA 0.332 4.679 4.340 0.011 0.000 0.275 293 L C 0.666 177.546 176.870 0.018 0.000 1.115 293 L CA -0.557 54.300 54.840 0.029 0.000 0.820 293 L CB 0.258 42.410 42.059 0.155 0.000 1.135 293 L HN 0.235 nan 8.230 nan 0.000 0.445 294 L N 5.217 126.433 121.223 -0.013 0.000 2.313 294 L HA 0.419 4.766 4.340 0.011 0.000 0.273 294 L C -0.608 176.188 176.870 -0.123 0.000 1.028 294 L CA -0.260 54.484 54.840 -0.159 0.000 0.871 294 L CB 0.715 42.634 42.059 -0.234 0.000 1.242 294 L HN 0.472 nan 8.230 nan 0.000 0.434 295 L N 3.691 124.897 121.223 -0.028 0.000 2.289 295 L HA 0.436 4.783 4.340 0.011 0.000 0.285 295 L C -0.042 176.776 176.870 -0.087 0.000 1.049 295 L CA -0.233 54.610 54.840 0.005 0.000 0.804 295 L CB 1.452 43.554 42.059 0.072 0.000 1.195 295 L HN 0.542 nan 8.230 nan 0.000 0.428 296 Q N 3.020 122.791 119.800 -0.048 0.000 2.363 296 Q HA 0.615 4.961 4.340 0.011 0.000 0.265 296 Q C -1.016 174.911 176.000 -0.122 0.000 1.032 296 Q CA -0.581 55.187 55.803 -0.060 0.000 0.746 296 Q CB 1.845 30.665 28.738 0.136 0.000 1.237 296 Q HN 0.785 nan 8.270 nan 0.000 0.475 297 A N 5.008 127.699 122.820 -0.214 0.000 2.302 297 A HA 0.595 4.922 4.320 0.011 0.000 0.285 297 A C -2.361 174.946 177.584 -0.461 0.000 1.105 297 A CA -1.614 50.109 52.037 -0.523 0.000 0.816 297 A CB 0.099 18.917 19.000 -0.303 0.000 1.067 297 A HN 0.650 nan 8.150 nan 0.000 0.489 298 P HA -0.027 nan 4.420 nan 0.000 0.257 298 P C -0.787 176.421 177.300 -0.154 0.000 1.153 298 P CA 1.103 64.007 63.100 -0.327 0.000 0.762 298 P CB -0.013 31.510 31.700 -0.295 0.000 0.743 299 D N 1.266 121.618 120.400 -0.080 0.000 2.699 299 D HA -0.177 4.469 4.640 0.011 0.000 0.239 299 D C -0.211 176.073 176.300 -0.028 0.000 1.136 299 D CA 1.274 55.255 54.000 -0.032 0.000 0.668 299 D CB -0.868 39.917 40.800 -0.024 0.000 1.060 299 D HN 0.560 nan 8.370 nan 0.000 0.429 300 E N -1.125 119.058 120.200 -0.028 0.000 2.392 300 E HA 0.616 4.973 4.350 0.011 0.000 0.279 300 E C -0.497 176.095 176.600 -0.013 0.000 0.964 300 E CA -0.820 55.564 56.400 -0.026 0.000 0.777 300 E CB 1.643 31.310 29.700 -0.054 0.000 1.249 300 E HN 0.137 nan 8.360 nan 0.000 0.449 301 A N 2.429 125.240 122.820 -0.015 0.000 2.366 301 A HA 0.426 4.753 4.320 0.011 0.000 0.249 301 A C -2.119 175.371 177.584 -0.157 0.000 1.084 301 A CA -0.901 51.120 52.037 -0.028 0.000 0.794 301 A CB -0.310 18.698 19.000 0.013 0.000 1.034 301 A HN 0.305 nan 8.150 nan 0.000 0.491 302 P HA 0.184 nan 4.420 nan 0.000 0.275 302 P C -0.530 176.544 177.300 -0.376 0.000 1.227 302 P CA -0.016 62.761 63.100 -0.539 0.000 0.781 302 P CB 0.816 31.759 31.700 -1.261 0.000 0.906 303 E N 0.988 121.044 120.200 -0.239 0.000 2.318 303 E HA 0.331 4.688 4.350 0.011 0.000 0.265 303 E C -0.646 175.693 176.600 -0.434 0.000 1.069 303 E CA -0.900 55.310 56.400 -0.317 0.000 0.893 303 E CB 0.848 30.374 29.700 -0.289 0.000 1.076 303 E HN 0.297 nan 8.360 nan 0.000 0.414 304 L N 3.204 124.068 121.223 -0.600 0.000 2.280 304 L HA 0.379 4.725 4.340 0.011 0.000 0.287 304 L C -1.596 174.835 176.870 -0.732 0.000 1.023 304 L CA -0.001 54.559 54.840 -0.467 0.000 0.819 304 L CB 0.199 42.103 42.059 -0.257 0.000 1.212 304 L HN 0.343 nan 8.230 nan 0.000 0.420 305 F N 4.454 124.232 119.950 -0.286 0.000 2.507 305 F HA 0.581 5.115 4.527 0.012 0.000 0.325 305 F C -0.041 175.581 175.800 -0.297 0.000 1.116 305 F CA -0.935 56.777 58.000 -0.480 0.000 0.930 305 F CB 1.966 40.385 39.000 -0.968 0.000 1.146 305 F HN 0.222 nan 8.300 nan 0.000 0.447 306 V N 5.174 125.045 119.914 -0.072 0.000 2.472 306 V HA 0.591 4.718 4.120 0.011 0.000 0.290 306 V C -0.625 175.588 176.094 0.198 0.000 1.037 306 V CA -0.686 61.643 62.300 0.048 0.000 0.908 306 V CB 1.416 33.289 31.823 0.082 0.000 0.985 306 V HN 0.682 nan 8.190 nan 0.000 0.454 307 L N 7.394 128.751 121.223 0.224 0.000 2.380 307 L HA 0.415 4.762 4.340 0.011 0.000 0.273 307 L C -2.066 174.916 176.870 0.187 0.000 1.138 307 L CA -1.522 53.478 54.840 0.266 0.000 0.832 307 L CB 0.836 42.982 42.059 0.145 0.000 1.124 307 L HN 0.532 nan 8.230 nan 0.000 0.454 308 P HA 0.100 nan 4.420 nan 0.000 0.270 308 P C -2.027 175.328 177.300 0.092 0.000 1.242 308 P CA -1.020 62.157 63.100 0.128 0.000 0.768 308 P CB 0.435 32.203 31.700 0.113 0.000 0.820 309 P HA -0.282 nan 4.420 nan 0.000 0.219 309 P C 1.294 178.630 177.300 0.061 0.000 1.149 309 P CA 1.479 64.627 63.100 0.079 0.000 0.835 309 P CB -0.099 31.649 31.700 0.081 0.000 0.778 310 E N -0.418 119.814 120.200 0.054 0.000 2.077 310 E HA -0.151 4.206 4.350 0.011 0.000 0.193 310 E C 1.823 178.443 176.600 0.034 0.000 0.989 310 E CA 1.022 57.446 56.400 0.040 0.000 0.800 310 E CB -1.222 28.499 29.700 0.036 0.000 0.746 310 E HN 0.232 nan 8.360 nan 0.000 0.452 311 L N 1.273 122.517 121.223 0.035 0.000 2.156 311 L HA 0.011 4.357 4.340 0.011 0.000 0.208 311 L C 0.841 177.729 176.870 0.030 0.000 1.095 311 L CA 0.226 55.081 54.840 0.024 0.000 0.770 311 L CB 0.052 42.116 42.059 0.007 0.000 0.914 311 L HN 0.033 nan 8.230 nan 0.000 0.439 312 V N 2.489 122.425 119.914 0.036 0.000 2.276 312 V HA 0.076 4.202 4.120 0.011 0.000 0.249 312 V C 0.201 176.329 176.094 0.057 0.000 1.160 312 V CA -0.438 61.885 62.300 0.037 0.000 1.042 312 V CB 0.359 32.203 31.823 0.034 0.000 1.224 312 V HN 0.087 nan 8.190 nan 0.000 0.496 313 L N 4.956 126.216 121.223 0.062 0.000 2.410 313 L HA 0.386 4.732 4.340 0.011 0.000 0.273 313 L C 0.190 177.102 176.870 0.069 0.000 1.152 313 L CA 0.894 55.766 54.840 0.053 0.000 0.855 313 L CB 0.378 42.464 42.059 0.045 0.000 1.129 313 L HN 0.644 nan 8.230 nan 0.000 0.463 314 E N 2.970 123.188 120.200 0.029 0.000 2.359 314 E HA 0.652 5.008 4.350 0.011 0.000 0.266 314 E C -1.522 175.021 176.600 -0.096 0.000 0.920 314 E CA -1.017 55.391 56.400 0.013 0.000 0.788 314 E CB 2.366 32.096 29.700 0.051 0.000 1.279 314 E HN 0.404 nan 8.360 nan 0.000 0.438 315 V N 2.392 122.212 119.914 -0.157 0.000 2.409 315 V HA 0.324 4.450 4.120 0.011 0.000 0.290 315 V C -2.502 173.496 176.094 -0.159 0.000 1.017 315 V CA -1.995 60.150 62.300 -0.259 0.000 0.841 315 V CB 1.257 32.697 31.823 -0.639 0.000 1.003 315 V HN 0.535 nan 8.190 nan 0.000 0.426 316 P HA 0.338 nan 4.420 nan 0.000 0.276 316 P C -0.642 176.634 177.300 -0.039 0.000 1.235 316 P CA -0.069 62.983 63.100 -0.080 0.000 0.772 316 P CB 0.654 32.319 31.700 -0.057 0.000 0.871 317 L N 3.857 125.094 121.223 0.023 0.000 2.307 317 L HA 0.533 4.879 4.340 0.011 0.000 0.282 317 L C 0.808 177.775 176.870 0.162 0.000 1.051 317 L CA -0.252 54.645 54.840 0.095 0.000 0.804 317 L CB 0.839 43.009 42.059 0.186 0.000 1.197 317 L HN 0.471 nan 8.230 nan 0.000 0.431 318 E N 1.119 121.371 120.200 0.085 0.000 2.372 318 E HA 0.341 4.697 4.350 0.011 0.000 0.279 318 E C -1.323 175.221 176.600 -0.093 0.000 0.946 318 E CA -0.935 55.520 56.400 0.092 0.000 0.769 318 E CB 1.863 31.625 29.700 0.103 0.000 1.230 318 E HN 0.462 nan 8.360 nan 0.000 0.442 319 H N 2.652 121.508 119.070 -0.356 0.000 2.511 319 H HA 0.187 4.750 4.556 0.011 0.000 0.346 319 H C -1.589 173.450 175.328 -0.482 0.000 1.128 319 H CA -1.963 53.767 56.048 -0.531 0.000 1.342 319 H CB 1.725 31.110 29.762 -0.628 0.000 1.470 319 H HN 0.468 nan 8.280 nan 0.000 0.546 320 P HA -0.048 nan 4.420 nan 0.000 0.229 320 P C 0.690 177.809 177.300 -0.302 0.000 1.160 320 P CA 1.085 63.682 63.100 -0.837 0.000 0.777 320 P CB 0.481 31.567 31.700 -1.023 0.000 0.814 321 T N -4.916 109.632 114.554 -0.010 0.000 3.080 321 T HA 0.253 4.610 4.350 0.011 0.000 0.280 321 T C 0.445 175.128 174.700 -0.028 0.000 0.926 321 T CA -0.220 61.894 62.100 0.022 0.000 0.883 321 T CB -0.366 68.524 68.868 0.037 0.000 1.194 321 T HN -0.058 nan 8.240 nan 0.000 0.541 322 L N 2.408 123.569 121.223 -0.104 0.000 2.321 322 L HA 0.480 4.827 4.340 0.011 0.000 0.272 322 L C 0.995 177.509 176.870 -0.593 0.000 1.050 322 L CA -0.525 53.941 54.840 -0.623 0.000 0.893 322 L CB 1.049 42.343 42.059 -1.274 0.000 1.272 322 L HN 0.173 nan 8.230 nan 0.000 0.435 323 E N 2.820 122.836 120.200 -0.307 0.000 2.209 323 E HA -0.207 4.149 4.350 0.011 0.000 0.196 323 E C 1.550 178.120 176.600 -0.049 0.000 0.993 323 E CA 1.607 57.937 56.400 -0.117 0.000 0.819 323 E CB 0.061 29.762 29.700 0.002 0.000 0.745 323 E HN 0.791 nan 8.360 nan 0.000 0.477 324 W N -0.039 121.315 121.300 0.090 0.000 2.519 324 W HA -0.035 4.632 4.660 0.011 0.000 0.266 324 W C 1.592 178.169 176.519 0.097 0.000 1.253 324 W CA -0.130 57.257 57.345 0.069 0.000 1.274 324 W CB -0.954 28.522 29.460 0.028 0.000 1.114 324 W HN -0.034 nan 8.180 nan 0.000 0.596 325 F N 2.999 122.739 119.950 -0.350 0.000 2.091 325 F HA -0.174 4.360 4.527 0.011 0.000 0.299 325 F C 2.724 178.541 175.800 0.028 0.000 1.103 325 F CA 3.081 60.977 58.000 -0.173 0.000 1.228 325 F CB -0.476 38.254 39.000 -0.450 0.000 0.984 325 F HN -0.085 nan 8.300 nan 0.000 0.477 326 A N -0.149 122.834 122.820 0.273 0.000 2.131 326 A HA -0.061 4.266 4.320 0.011 0.000 0.220 326 A C 2.061 179.730 177.584 0.143 0.000 1.158 326 A CA 1.400 53.558 52.037 0.202 0.000 0.665 326 A CB -1.260 17.814 19.000 0.122 0.000 0.795 326 A HN 0.442 nan 8.150 nan 0.000 0.460 327 A N -0.876 122.034 122.820 0.150 0.000 2.251 327 A HA 0.405 4.731 4.320 0.011 0.000 0.209 327 A C 1.635 179.276 177.584 0.095 0.000 1.187 327 A CA 0.252 52.363 52.037 0.123 0.000 0.823 327 A CB -0.379 18.710 19.000 0.148 0.000 0.846 327 A HN 0.455 nan 8.150 nan 0.000 0.486 328 L N -1.411 119.851 121.223 0.066 0.000 2.509 328 L HA 0.176 4.522 4.340 0.011 0.000 0.222 328 L C 1.705 178.610 176.870 0.059 0.000 1.123 328 L CA 0.610 55.464 54.840 0.022 0.000 0.856 328 L CB -0.237 41.751 42.059 -0.118 0.000 0.985 328 L HN 0.513 nan 8.230 nan 0.000 0.456 329 G N 1.132 109.967 108.800 0.058 0.000 2.198 329 G HA2 -0.280 3.686 3.960 0.011 0.000 0.260 329 G HA3 -0.280 3.686 3.960 0.011 0.000 0.260 329 G C 0.123 175.009 174.900 -0.024 0.000 1.025 329 G CA -0.110 45.017 45.100 0.046 0.000 0.769 329 G HN 0.228 nan 8.290 nan 0.000 0.507 330 L N 0.285 121.490 121.223 -0.030 0.000 2.349 330 L HA 0.670 5.017 4.340 0.011 0.000 0.275 330 L C 1.118 177.814 176.870 -0.291 0.000 1.115 330 L CA -0.564 54.193 54.840 -0.137 0.000 0.820 330 L CB 0.860 42.960 42.059 0.068 0.000 1.135 330 L HN 0.556 nan 8.230 nan 0.000 0.445 331 R N 2.830 122.921 120.500 -0.682 0.000 2.764 331 R HA 0.560 4.907 4.340 0.011 0.000 0.270 331 R C -1.993 174.211 176.300 -0.161 0.000 1.014 331 R CA -0.976 54.867 56.100 -0.428 0.000 0.904 331 R CB 2.189 32.173 30.300 -0.527 0.000 1.236 331 R HN 0.613 nan 8.270 nan 0.000 0.466 332 W N 1.930 123.137 121.300 -0.154 0.000 3.213 332 W HA 0.325 4.992 4.660 0.010 0.000 0.318 332 W C -1.279 175.223 176.519 -0.028 0.000 1.248 332 W CA -0.968 56.331 57.345 -0.077 0.000 1.187 332 W CB 1.967 31.324 29.460 -0.172 0.000 1.403 332 W HN 0.694 nan 8.180 nan 0.000 0.556 333 Y N 1.144 121.271 120.300 -0.288 0.000 2.300 333 Y HA 0.567 5.124 4.550 0.011 0.000 0.328 333 Y C 0.810 176.901 175.900 0.319 0.000 1.270 333 Y CA -0.010 58.069 58.100 -0.034 0.000 1.352 333 Y CB 0.067 38.413 38.460 -0.190 0.000 1.286 333 Y HN 0.346 nan 8.280 nan 0.000 0.536 334 A N 1.866 124.950 122.820 0.440 0.000 1.898 334 A HA 0.054 4.381 4.320 0.011 0.000 0.214 334 A C 0.634 178.593 177.584 0.626 0.000 1.183 334 A CA 0.439 52.790 52.037 0.524 0.000 0.622 334 A CB -0.393 18.763 19.000 0.261 0.000 0.824 334 A HN 0.679 nan 8.150 nan 0.000 0.444 335 L N 2.228 123.737 121.223 0.477 0.000 2.260 335 L HA 0.406 4.752 4.340 0.011 0.000 0.289 335 L C -2.543 174.494 176.870 0.278 0.000 1.057 335 L CA -2.196 52.839 54.840 0.326 0.000 0.811 335 L CB 1.209 43.384 42.059 0.193 0.000 1.184 335 L HN 0.029 nan 8.230 nan 0.000 0.429 336 P HA 0.349 nan 4.420 nan 0.000 0.297 336 P C -1.521 175.685 177.300 -0.157 0.000 1.342 336 P CA -0.444 62.554 63.100 -0.170 0.000 0.801 336 P CB 1.501 32.653 31.700 -0.913 0.000 0.920 337 A N 4.622 127.342 122.820 -0.167 0.000 2.646 337 A HA 0.380 4.706 4.320 0.011 0.000 0.312 337 A C -0.047 177.280 177.584 -0.428 0.000 1.245 337 A CA -0.651 51.212 52.037 -0.290 0.000 0.755 337 A CB 0.499 19.356 19.000 -0.239 0.000 1.132 337 A HN 0.307 nan 8.150 nan 0.000 0.458 338 V N 2.459 121.954 119.914 -0.699 0.000 2.617 338 V HA 0.136 4.262 4.120 0.011 0.000 0.304 338 V C 1.274 176.947 176.094 -0.703 0.000 1.040 338 V CA 1.614 63.472 62.300 -0.737 0.000 1.149 338 V CB 0.992 32.154 31.823 -1.101 0.000 0.914 338 V HN 1.117 nan 8.190 nan 0.000 0.487 339 S N 1.280 116.773 115.700 -0.345 0.000 2.817 339 S HA 0.077 4.554 4.470 0.011 0.000 0.262 339 S C 0.655 175.217 174.600 -0.063 0.000 1.051 339 S CA 0.037 58.119 58.200 -0.197 0.000 1.185 339 S CB -0.394 62.726 63.200 -0.134 0.000 1.152 339 S HN 0.927 nan 8.310 nan 0.000 0.653 340 N N 0.560 119.228 118.700 -0.052 0.000 2.234 340 N HA 0.326 5.073 4.740 0.011 0.000 0.227 340 N C -0.069 175.468 175.510 0.046 0.000 1.151 340 N CA -0.545 52.508 53.050 0.005 0.000 0.865 340 N CB 0.192 38.675 38.487 -0.006 0.000 1.066 340 N HN 0.240 nan 8.380 nan 0.000 0.515 341 M N 1.439 121.081 119.600 0.069 0.000 2.318 341 M HA 0.269 4.756 4.480 0.011 0.000 0.347 341 M C -0.676 175.759 176.300 0.225 0.000 1.175 341 M CA -0.959 54.437 55.300 0.159 0.000 1.075 341 M CB 2.303 35.026 32.600 0.205 0.000 1.614 341 M HN 0.140 nan 8.290 nan 0.000 0.456 342 L N 4.041 125.382 121.223 0.196 0.000 2.331 342 L HA 0.369 4.716 4.340 0.011 0.000 0.278 342 L C -1.079 175.914 176.870 0.205 0.000 1.106 342 L CA -0.350 54.594 54.840 0.173 0.000 0.824 342 L CB 0.684 42.797 42.059 0.090 0.000 1.142 342 L HN 0.588 nan 8.230 nan 0.000 0.443 343 L N 5.594 126.929 121.223 0.186 0.000 2.276 343 L HA 0.459 4.806 4.340 0.011 0.000 0.286 343 L C -0.554 176.334 176.870 0.031 0.000 1.024 343 L CA 0.160 54.992 54.840 -0.014 0.000 0.826 343 L CB 0.871 42.913 42.059 -0.029 0.000 1.211 343 L HN 0.669 nan 8.230 nan 0.000 0.422 344 E N 6.734 126.870 120.200 -0.108 0.000 2.092 344 E HA 0.357 4.713 4.350 0.011 0.000 0.271 344 E C -1.475 175.036 176.600 -0.148 0.000 0.919 344 E CA -0.346 56.009 56.400 -0.076 0.000 0.760 344 E CB 0.807 30.462 29.700 -0.076 0.000 1.106 344 E HN 0.702 nan 8.360 nan 0.000 0.408 345 I N 2.377 122.868 120.570 -0.132 0.000 2.447 345 I HA 0.277 4.454 4.170 0.011 0.000 0.287 345 I C 0.883 176.779 176.117 -0.367 0.000 1.023 345 I CA -0.863 60.231 61.300 -0.344 0.000 1.083 345 I CB 1.987 39.719 38.000 -0.446 0.000 1.245 345 I HN 0.743 nan 8.210 nan 0.000 0.434 346 G N 4.320 112.922 108.800 -0.331 0.000 2.390 346 G HA2 -0.099 3.867 3.960 0.011 0.000 0.299 346 G HA3 -0.099 3.867 3.960 0.011 0.000 0.299 346 G C 1.019 175.999 174.900 0.133 0.000 1.002 346 G CA 0.896 46.006 45.100 0.016 0.000 0.979 346 G HN 1.507 nan 8.290 nan 0.000 0.513 347 G N -1.518 107.308 108.800 0.043 0.000 2.454 347 G HA2 -0.254 3.712 3.960 0.011 0.000 0.225 347 G HA3 -0.254 3.712 3.960 0.011 0.000 0.225 347 G C 0.756 175.619 174.900 -0.062 0.000 1.138 347 G CA 0.345 45.472 45.100 0.045 0.000 0.667 347 G HN 1.329 nan 8.290 nan 0.000 0.512 348 L N 1.027 122.150 121.223 -0.167 0.000 2.482 348 L HA 0.500 4.847 4.340 0.011 0.000 0.273 348 L C 0.469 177.151 176.870 -0.313 0.000 1.228 348 L CA 0.351 54.982 54.840 -0.349 0.000 0.827 348 L CB 0.261 41.993 42.059 -0.545 0.000 1.099 348 L HN 0.316 nan 8.230 nan 0.000 0.494 349 E N 1.300 121.232 120.200 -0.447 0.000 2.241 349 E HA 0.332 4.689 4.350 0.011 0.000 0.263 349 E C -1.552 174.801 176.600 -0.412 0.000 0.882 349 E CA -0.354 55.876 56.400 -0.285 0.000 0.769 349 E CB 1.688 31.295 29.700 -0.155 0.000 1.185 349 E HN 0.272 nan 8.360 nan 0.000 0.415 350 F N 2.187 122.102 119.950 -0.059 0.000 2.329 350 F HA 0.081 4.615 4.527 0.012 0.000 0.362 350 F C 1.707 177.538 175.800 0.051 0.000 1.113 350 F CA -0.428 57.565 58.000 -0.012 0.000 1.212 350 F CB 0.834 39.812 39.000 -0.037 0.000 1.509 350 F HN 0.437 nan 8.300 nan 0.000 0.546 351 S N 1.259 117.054 115.700 0.158 0.000 2.420 351 S HA -0.061 4.416 4.470 0.011 0.000 0.237 351 S C 0.905 175.621 174.600 0.194 0.000 1.023 351 S CA 0.660 58.948 58.200 0.145 0.000 0.991 351 S CB -0.110 63.156 63.200 0.110 0.000 0.792 351 S HN 0.491 nan 8.310 nan 0.000 0.488 352 A N 0.270 123.252 122.820 0.270 0.000 2.375 352 A HA 0.825 5.152 4.320 0.011 0.000 0.291 352 A C -0.211 177.616 177.584 0.405 0.000 1.160 352 A CA -0.161 52.056 52.037 0.300 0.000 0.747 352 A CB 1.121 20.275 19.000 0.257 0.000 1.170 352 A HN 1.126 nan 8.150 nan 0.000 0.458 353 A N 4.159 127.165 122.820 0.310 0.000 3.399 353 A HA 0.613 4.939 4.320 0.011 0.000 0.262 353 A C -3.039 174.669 177.584 0.206 0.000 1.145 353 A CA -0.850 51.325 52.037 0.231 0.000 0.916 353 A CB 0.378 19.493 19.000 0.193 0.000 1.360 353 A HN 0.525 nan 8.150 nan 0.000 0.628 354 P HA 0.404 nan 4.420 nan 0.000 0.268 354 P C -0.679 176.596 177.300 -0.041 0.000 1.204 354 P CA 0.475 63.516 63.100 -0.098 0.000 0.768 354 P CB 0.280 31.888 31.700 -0.153 0.000 0.842 355 F N -0.010 119.863 119.950 -0.128 0.000 2.611 355 F HA 0.824 5.357 4.527 0.010 0.000 0.324 355 F C -0.639 175.077 175.800 -0.141 0.000 1.061 355 F CA -1.266 56.667 58.000 -0.111 0.000 0.954 355 F CB 1.566 40.391 39.000 -0.293 0.000 1.301 355 F HN 0.452 nan 8.300 nan 0.000 0.482 356 S N -0.448 115.371 115.700 0.200 0.000 2.552 356 S HA 0.844 5.320 4.470 0.011 0.000 0.272 356 S C -0.809 173.776 174.600 -0.025 0.000 1.150 356 S CA -0.185 58.057 58.200 0.069 0.000 0.849 356 S CB 1.295 64.592 63.200 0.162 0.000 1.113 356 S HN 1.532 nan 8.310 nan 0.000 0.458 357 G N 0.163 108.896 108.800 -0.111 0.000 3.009 357 G HA2 0.721 4.688 3.960 0.011 0.000 0.193 357 G HA3 0.721 4.688 3.960 0.011 0.000 0.193 357 G C -1.264 173.662 174.900 0.044 0.000 1.636 357 G CA 0.036 45.001 45.100 -0.226 0.000 0.832 357 G HN 1.428 nan 8.290 nan 0.000 0.795 358 W N -1.390 119.912 121.300 0.003 0.000 3.153 358 W HA 0.766 5.432 4.660 0.009 0.000 0.316 358 W C -1.871 174.651 176.519 0.005 0.000 1.255 358 W CA -2.261 55.106 57.345 0.037 0.000 1.192 358 W CB 0.164 29.686 29.460 0.103 0.000 1.400 358 W HN 0.386 nan 8.180 nan 0.000 0.568 359 Y N 2.893 123.384 120.300 0.319 0.000 2.357 359 Y HA 0.324 4.881 4.550 0.011 0.000 0.340 359 Y C 0.956 176.916 175.900 0.100 0.000 1.260 359 Y CA -0.392 57.778 58.100 0.116 0.000 1.425 359 Y CB 1.011 39.449 38.460 -0.036 0.000 1.326 359 Y HN 0.502 nan 8.280 nan 0.000 0.580 360 M N 1.994 121.734 119.600 0.233 0.000 2.205 360 M HA 0.206 4.693 4.480 0.011 0.000 0.344 360 M C 1.102 177.401 176.300 -0.002 0.000 1.085 360 M CA -0.345 55.024 55.300 0.115 0.000 1.001 360 M CB 1.289 33.936 32.600 0.078 0.000 1.626 360 M HN 0.875 nan 8.290 nan 0.000 0.442 361 S N 2.012 117.672 115.700 -0.067 0.000 2.399 361 S HA -0.237 4.240 4.470 0.011 0.000 0.235 361 S C 1.471 175.961 174.600 -0.184 0.000 1.063 361 S CA 2.551 60.648 58.200 -0.170 0.000 1.070 361 S CB -1.371 61.775 63.200 -0.090 0.000 0.904 361 S HN 0.937 nan 8.310 nan 0.000 0.456 362 T N -0.723 113.753 114.554 -0.129 0.000 2.962 362 T HA 0.011 4.368 4.350 0.011 0.000 0.270 362 T C 1.583 176.149 174.700 -0.222 0.000 1.088 362 T CA 1.223 63.199 62.100 -0.207 0.000 1.127 362 T CB -0.593 68.112 68.868 -0.273 0.000 0.883 362 T HN 0.639 nan 8.240 nan 0.000 0.493 363 E N 0.830 120.923 120.200 -0.178 0.000 2.051 363 E HA -0.048 4.308 4.350 0.011 0.000 0.192 363 E C 2.063 178.437 176.600 -0.377 0.000 0.991 363 E CA 1.472 57.775 56.400 -0.161 0.000 0.799 363 E CB -0.245 29.506 29.700 0.084 0.000 0.748 363 E HN 0.605 nan 8.360 nan 0.000 0.449 364 I N 0.020 120.235 120.570 -0.592 0.000 2.270 364 I HA -0.066 4.111 4.170 0.011 0.000 0.239 364 I C 2.557 178.323 176.117 -0.585 0.000 1.080 364 I CA 0.987 61.741 61.300 -0.911 0.000 1.383 364 I CB -0.561 36.819 38.000 -1.033 0.000 1.097 364 I HN 0.110 nan 8.210 nan 0.000 0.420 365 G N -0.135 108.433 108.800 -0.385 0.000 2.509 365 G HA2 -0.125 3.841 3.960 0.011 0.000 0.218 365 G HA3 -0.125 3.841 3.960 0.011 0.000 0.218 365 G C 1.485 176.280 174.900 -0.175 0.000 1.124 365 G CA 1.351 46.318 45.100 -0.222 0.000 0.776 365 G HN 0.333 nan 8.290 nan 0.000 0.547 366 T N -0.936 113.489 114.554 -0.214 0.000 3.058 366 T HA 0.146 4.502 4.350 0.011 0.000 0.247 366 T C 2.392 176.985 174.700 -0.178 0.000 0.987 366 T CA -0.138 61.855 62.100 -0.178 0.000 1.062 366 T CB 0.334 69.082 68.868 -0.200 0.000 1.048 366 T HN 0.016 nan 8.240 nan 0.000 0.468 367 R N 2.144 122.518 120.500 -0.210 0.000 2.048 367 R HA 0.229 4.575 4.340 0.011 0.000 0.224 367 R C 2.043 178.235 176.300 -0.181 0.000 1.163 367 R CA 0.960 56.946 56.100 -0.190 0.000 0.956 367 R CB -1.119 29.074 30.300 -0.178 0.000 0.849 367 R HN 0.278 nan 8.270 nan 0.000 0.435 368 N N 1.185 119.739 118.700 -0.244 0.000 2.120 368 N HA -0.088 4.658 4.740 0.011 0.000 0.188 368 N C 1.918 177.390 175.510 -0.064 0.000 1.024 368 N CA 1.106 54.030 53.050 -0.210 0.000 0.852 368 N CB -0.257 37.820 38.487 -0.683 0.000 1.003 368 N HN 0.178 nan 8.380 nan 0.000 0.424 369 L N -0.927 120.194 121.223 -0.169 0.000 2.354 369 L HA 0.098 4.444 4.340 0.011 0.000 0.212 369 L C 1.221 178.122 176.870 0.052 0.000 1.091 369 L CA 0.434 55.267 54.840 -0.011 0.000 0.828 369 L CB 0.120 42.140 42.059 -0.064 0.000 0.973 369 L HN 0.181 nan 8.230 nan 0.000 0.461 370 C N -1.611 117.675 119.300 -0.022 0.000 3.065 370 C HA 0.179 4.646 4.460 0.011 0.000 0.285 370 C C 0.788 175.749 174.990 -0.049 0.000 1.257 370 C CA -0.937 58.073 59.018 -0.013 0.000 1.691 370 C CB -0.286 27.434 27.740 -0.033 0.000 2.089 370 C HN 0.295 nan 8.230 nan 0.000 0.630 371 D N 2.299 122.633 120.400 -0.110 0.000 2.449 371 D HA 0.059 4.705 4.640 0.011 0.000 0.236 371 D C -1.411 174.803 176.300 -0.144 0.000 1.149 371 D CA -1.010 52.868 54.000 -0.204 0.000 0.878 371 D CB 0.652 41.175 40.800 -0.461 0.000 1.198 371 D HN 0.116 nan 8.370 nan 0.000 0.446 372 P HA -0.130 nan 4.420 nan 0.000 0.216 372 P C 0.654 177.998 177.300 0.072 0.000 1.150 372 P CA 1.290 64.425 63.100 0.058 0.000 0.837 372 P CB 0.009 31.794 31.700 0.142 0.000 0.786 373 H N -2.700 116.379 119.070 0.015 0.000 2.519 373 H HA 0.359 4.921 4.556 0.011 0.000 0.289 373 H C 0.870 176.204 175.328 0.010 0.000 1.040 373 H CA -0.105 55.949 56.048 0.010 0.000 1.165 373 H CB 0.031 29.799 29.762 0.010 0.000 1.462 373 H HN -0.010 nan 8.280 nan 0.000 0.555 374 R N -0.169 120.239 120.500 -0.153 0.000 2.845 374 R HA 0.177 4.524 4.340 0.011 0.000 0.112 374 R C 1.176 177.435 176.300 -0.069 0.000 1.012 374 R CA -0.663 55.389 56.100 -0.080 0.000 0.744 374 R CB -0.841 29.441 30.300 -0.030 0.000 0.926 374 R HN 0.093 nan 8.270 nan 0.000 0.376 375 Y N 1.634 121.955 120.300 0.035 0.000 2.352 375 Y HA -0.030 4.527 4.550 0.011 0.000 0.292 375 Y C 0.911 176.838 175.900 0.044 0.000 1.136 375 Y CA 1.416 59.555 58.100 0.065 0.000 1.227 375 Y CB -0.173 38.370 38.460 0.137 0.000 0.991 375 Y HN 0.526 nan 8.280 nan 0.000 0.545 376 N N 0.509 119.293 118.700 0.140 0.000 2.725 376 N HA -0.230 4.516 4.740 0.011 0.000 0.249 376 N C 0.774 176.359 175.510 0.124 0.000 1.103 376 N CA 0.433 53.541 53.050 0.097 0.000 0.707 376 N CB -1.121 37.406 38.487 0.067 0.000 1.043 376 N HN 0.589 nan 8.380 nan 0.000 0.553 377 I N -2.638 118.023 120.570 0.151 0.000 3.334 377 I HA -0.090 4.087 4.170 0.011 0.000 0.282 377 I C 1.902 178.101 176.117 0.136 0.000 1.313 377 I CA 0.126 61.509 61.300 0.138 0.000 1.396 377 I CB -0.097 37.988 38.000 0.141 0.000 1.054 377 I HN 0.086 nan 8.210 nan 0.000 0.495 378 L N 1.826 123.137 121.223 0.147 0.000 1.971 378 L HA -0.245 4.101 4.340 0.011 0.000 0.215 378 L C 2.628 179.686 176.870 0.313 0.000 1.072 378 L CA 2.279 57.237 54.840 0.196 0.000 0.758 378 L CB -0.961 41.180 42.059 0.136 0.000 0.889 378 L HN 0.461 nan 8.230 nan 0.000 0.433 379 E N -1.029 119.372 120.200 0.335 0.000 2.118 379 E HA -0.255 4.102 4.350 0.011 0.000 0.195 379 E C 1.717 178.356 176.600 0.065 0.000 0.992 379 E CA 1.491 58.038 56.400 0.244 0.000 0.804 379 E CB 0.009 29.793 29.700 0.141 0.000 0.741 379 E HN 0.548 nan 8.360 nan 0.000 0.458 380 D N -0.040 120.396 120.400 0.061 0.000 2.078 380 D HA -0.153 4.493 4.640 0.011 0.000 0.193 380 D C 2.099 178.385 176.300 -0.024 0.000 0.990 380 D CA 1.321 55.319 54.000 -0.003 0.000 0.827 380 D CB -0.427 40.380 40.800 0.011 0.000 0.975 380 D HN 0.114 nan 8.370 nan 0.000 0.451 381 V N 1.706 121.646 119.914 0.044 0.000 2.469 381 V HA -0.250 3.876 4.120 0.011 0.000 0.251 381 V C 2.523 178.673 176.094 0.092 0.000 1.064 381 V CA 1.725 64.080 62.300 0.091 0.000 1.066 381 V CB -0.836 31.110 31.823 0.205 0.000 0.667 381 V HN 0.183 nan 8.190 nan 0.000 0.461 382 A N -0.237 122.661 122.820 0.130 0.000 1.902 382 A HA -0.155 4.172 4.320 0.011 0.000 0.217 382 A C 2.410 179.966 177.584 -0.046 0.000 1.181 382 A CA 2.036 54.157 52.037 0.141 0.000 0.623 382 A CB -0.644 18.526 19.000 0.284 0.000 0.818 382 A HN 0.339 nan 8.150 nan 0.000 0.443 383 V N -0.730 119.105 119.914 -0.132 0.000 2.343 383 V HA -0.321 3.805 4.120 0.011 0.000 0.247 383 V C 2.575 178.506 176.094 -0.272 0.000 1.051 383 V CA 2.059 64.239 62.300 -0.200 0.000 1.036 383 V CB -1.018 30.691 31.823 -0.191 0.000 0.654 383 V HN 0.705 nan 8.190 nan 0.000 0.451 384 C N -0.423 118.636 119.300 -0.400 0.000 2.422 384 C HA -0.104 4.362 4.460 0.011 0.000 0.286 384 C C 2.461 177.002 174.990 -0.749 0.000 1.412 384 C CA 0.931 59.462 59.018 -0.812 0.000 1.786 384 C CB -1.241 25.640 27.740 -1.433 0.000 1.835 384 C HN 0.541 nan 8.230 nan 0.000 0.533 385 M N -0.462 118.965 119.600 -0.288 0.000 2.428 385 M HA 0.087 4.573 4.480 0.011 0.000 0.239 385 M C 0.575 176.855 176.300 -0.035 0.000 1.121 385 M CA 0.644 55.932 55.300 -0.020 0.000 1.019 385 M CB -0.194 32.499 32.600 0.155 0.000 1.485 385 M HN 0.196 nan 8.290 nan 0.000 0.484 386 D N 0.676 121.010 120.400 -0.110 0.000 3.068 386 D HA -0.135 4.511 4.640 0.011 0.000 0.218 386 D C -0.636 175.631 176.300 -0.054 0.000 1.145 386 D CA 0.434 54.381 54.000 -0.087 0.000 0.896 386 D CB -0.832 39.933 40.800 -0.059 0.000 1.105 386 D HN 0.298 nan 8.370 nan 0.000 0.423 387 L N 0.264 121.464 121.223 -0.038 0.000 2.452 387 L HA 0.256 4.602 4.340 0.011 0.000 0.267 387 L C 0.878 177.691 176.870 -0.096 0.000 1.188 387 L CA -0.280 54.558 54.840 -0.003 0.000 0.821 387 L CB 0.413 42.535 42.059 0.104 0.000 1.102 387 L HN 0.047 nan 8.230 nan 0.000 0.470 388 D N 0.719 121.082 120.400 -0.062 0.000 2.416 388 D HA 0.002 4.648 4.640 0.011 0.000 0.240 388 D C 1.138 177.245 176.300 -0.321 0.000 1.250 388 D CA -0.241 53.681 54.000 -0.131 0.000 0.967 388 D CB 0.631 41.409 40.800 -0.037 0.000 1.059 388 D HN 0.585 nan 8.370 nan 0.000 0.512 389 T N 0.660 114.842 114.554 -0.620 0.000 3.284 389 T HA 0.045 4.401 4.350 0.011 0.000 0.252 389 T C 1.493 175.837 174.700 -0.594 0.000 1.144 389 T CA 0.136 61.474 62.100 -1.270 0.000 1.021 389 T CB -0.053 68.034 68.868 -1.302 0.000 0.984 389 T HN 0.279 nan 8.240 nan 0.000 0.545 390 R N 0.490 120.827 120.500 -0.272 0.000 2.100 390 R HA 0.138 4.485 4.340 0.011 0.000 0.220 390 R C 1.111 177.420 176.300 0.016 0.000 1.091 390 R CA 0.830 56.869 56.100 -0.102 0.000 0.986 390 R CB -0.079 30.178 30.300 -0.072 0.000 0.888 390 R HN 0.331 nan 8.270 nan 0.000 0.444 391 T N -0.318 114.279 114.554 0.073 0.000 2.824 391 T HA 0.121 4.477 4.350 0.011 0.000 0.282 391 T C 1.129 176.002 174.700 0.289 0.000 0.993 391 T CA -0.632 61.557 62.100 0.147 0.000 0.967 391 T CB 1.758 70.681 68.868 0.092 0.000 0.960 391 T HN 0.294 nan 8.240 nan 0.000 0.441 392 T N 1.659 116.358 114.554 0.242 0.000 2.833 392 T HA -0.103 4.254 4.350 0.011 0.000 0.269 392 T C 2.103 176.867 174.700 0.108 0.000 1.054 392 T CA 1.597 63.804 62.100 0.179 0.000 1.135 392 T CB -0.524 68.387 68.868 0.072 0.000 0.869 392 T HN 0.527 nan 8.240 nan 0.000 0.466 393 S N 1.691 117.452 115.700 0.101 0.000 2.571 393 S HA -0.090 4.386 4.470 0.011 0.000 0.245 393 S C 2.018 176.668 174.600 0.083 0.000 0.976 393 S CA 1.120 59.362 58.200 0.070 0.000 0.954 393 S CB -0.845 62.390 63.200 0.058 0.000 0.756 393 S HN 0.821 nan 8.310 nan 0.000 0.535 394 S N 0.616 116.402 115.700 0.143 0.000 2.548 394 S HA 0.265 4.741 4.470 0.011 0.000 0.215 394 S C 0.853 175.533 174.600 0.133 0.000 0.976 394 S CA 0.125 58.414 58.200 0.148 0.000 0.908 394 S CB -0.605 62.715 63.200 0.201 0.000 0.781 394 S HN 0.579 nan 8.310 nan 0.000 0.519 395 L N 1.043 122.312 121.223 0.076 0.000 3.865 395 L HA -0.172 4.175 4.340 0.011 0.000 0.408 395 L C 1.623 178.498 176.870 0.009 0.000 1.209 395 L CA 0.724 55.551 54.840 -0.021 0.000 0.940 395 L CB -2.574 39.484 42.059 -0.001 0.000 1.971 395 L HN 0.746 nan 8.230 nan 0.000 0.899 396 W N 0.163 121.473 121.300 0.016 0.000 2.374 396 W HA -0.150 4.517 4.660 0.011 0.000 0.288 396 W C 1.720 178.253 176.519 0.025 0.000 1.218 396 W CA 1.325 58.682 57.345 0.019 0.000 1.245 396 W CB -0.673 28.794 29.460 0.012 0.000 1.126 396 W HN 0.288 nan 8.180 nan 0.000 0.545 397 K N 1.052 120.989 120.400 -0.772 0.000 2.025 397 K HA -0.150 4.176 4.320 0.011 0.000 0.207 397 K C 1.581 178.030 176.600 -0.251 0.000 1.049 397 K CA 2.265 58.134 56.287 -0.696 0.000 0.933 397 K CB -0.398 31.557 32.500 -0.909 0.000 0.714 397 K HN -0.019 nan 8.250 nan 0.000 0.438 398 D N 0.910 121.186 120.400 -0.208 0.000 2.092 398 D HA -0.163 4.484 4.640 0.011 0.000 0.193 398 D C 1.721 178.008 176.300 -0.021 0.000 0.994 398 D CA 1.441 55.382 54.000 -0.099 0.000 0.828 398 D CB -0.031 40.722 40.800 -0.077 0.000 0.963 398 D HN 0.152 nan 8.370 nan 0.000 0.450 399 K N 0.538 120.951 120.400 0.022 0.000 2.026 399 K HA -0.060 4.267 4.320 0.011 0.000 0.208 399 K C 2.243 178.907 176.600 0.106 0.000 1.048 399 K CA 1.244 57.576 56.287 0.075 0.000 0.929 399 K CB -0.224 32.340 32.500 0.107 0.000 0.713 399 K HN 0.103 nan 8.250 nan 0.000 0.439 400 A N 1.751 124.652 122.820 0.136 0.000 1.898 400 A HA -0.091 4.235 4.320 0.011 0.000 0.216 400 A C 2.450 180.119 177.584 0.141 0.000 1.181 400 A CA 1.761 53.907 52.037 0.182 0.000 0.620 400 A CB -0.759 18.384 19.000 0.238 0.000 0.819 400 A HN 0.330 nan 8.150 nan 0.000 0.442 401 A N -0.499 122.360 122.820 0.065 0.000 1.908 401 A HA -0.071 4.255 4.320 0.011 0.000 0.218 401 A C 2.234 179.839 177.584 0.035 0.000 1.181 401 A CA 1.942 53.995 52.037 0.027 0.000 0.627 401 A CB -1.020 17.955 19.000 -0.043 0.000 0.818 401 A HN 0.417 nan 8.150 nan 0.000 0.445 402 V N 0.202 120.142 119.914 0.043 0.000 2.343 402 V HA -0.216 3.910 4.120 0.011 0.000 0.247 402 V C 2.589 178.733 176.094 0.083 0.000 1.051 402 V CA 2.196 64.530 62.300 0.056 0.000 1.036 402 V CB -0.666 31.195 31.823 0.063 0.000 0.654 402 V HN 0.523 nan 8.190 nan 0.000 0.451 403 E N -0.095 120.180 120.200 0.125 0.000 2.106 403 E HA -0.094 4.263 4.350 0.011 0.000 0.192 403 E C 2.130 178.812 176.600 0.137 0.000 0.984 403 E CA 1.119 57.623 56.400 0.174 0.000 0.806 403 E CB -0.292 29.511 29.700 0.172 0.000 0.750 403 E HN 0.579 nan 8.360 nan 0.000 0.458 404 I N 1.562 122.243 120.570 0.184 0.000 2.361 404 I HA -0.250 3.926 4.170 0.011 0.000 0.251 404 I C 2.110 178.241 176.117 0.023 0.000 1.133 404 I CA 0.801 62.219 61.300 0.197 0.000 1.413 404 I CB -0.286 37.858 38.000 0.240 0.000 1.073 404 I HN 0.075 nan 8.210 nan 0.000 0.424 405 N N 0.686 119.388 118.700 0.003 0.000 2.171 405 N HA -0.129 4.617 4.740 0.011 0.000 0.184 405 N C 1.902 177.383 175.510 -0.048 0.000 1.021 405 N CA 1.011 54.039 53.050 -0.036 0.000 0.854 405 N CB -0.127 38.349 38.487 -0.018 0.000 0.994 405 N HN 0.190 nan 8.380 nan 0.000 0.426 406 L N 1.676 122.871 121.223 -0.047 0.000 2.191 406 L HA -0.035 4.311 4.340 0.011 0.000 0.212 406 L C 2.103 178.852 176.870 -0.201 0.000 1.103 406 L CA 1.251 56.027 54.840 -0.107 0.000 0.769 406 L CB -0.820 41.164 42.059 -0.125 0.000 0.908 406 L HN 0.046 nan 8.230 nan 0.000 0.438 407 A N -1.463 121.199 122.820 -0.263 0.000 1.897 407 A HA -0.081 4.245 4.320 0.011 0.000 0.215 407 A C 2.248 179.751 177.584 -0.134 0.000 1.181 407 A CA 1.605 53.417 52.037 -0.374 0.000 0.620 407 A CB -0.889 17.584 19.000 -0.877 0.000 0.821 407 A HN 0.256 nan 8.150 nan 0.000 0.443 408 V N 0.161 120.029 119.914 -0.076 0.000 2.343 408 V HA -0.253 3.873 4.120 0.011 0.000 0.247 408 V C 2.569 178.705 176.094 0.070 0.000 1.051 408 V CA 1.927 64.237 62.300 0.017 0.000 1.036 408 V CB -0.757 30.992 31.823 -0.123 0.000 0.654 408 V HN 0.553 nan 8.190 nan 0.000 0.451 409 L N -0.687 120.526 121.223 -0.017 0.000 1.976 409 L HA -0.219 4.127 4.340 0.011 0.000 0.209 409 L C 2.630 179.533 176.870 0.055 0.000 1.071 409 L CA 2.230 57.072 54.840 0.003 0.000 0.746 409 L CB -0.841 41.208 42.059 -0.017 0.000 0.890 409 L HN 0.437 nan 8.230 nan 0.000 0.432 410 H N -0.154 118.869 119.070 -0.078 0.000 2.289 410 H HA -0.187 4.376 4.556 0.011 0.000 0.296 410 H C 2.354 177.656 175.328 -0.044 0.000 1.091 410 H CA 2.154 58.142 56.048 -0.100 0.000 1.274 410 H CB -0.095 29.539 29.762 -0.213 0.000 1.364 410 H HN 0.167 nan 8.280 nan 0.000 0.490 411 S N -0.625 115.030 115.700 -0.074 0.000 2.382 411 S HA -0.128 4.348 4.470 0.011 0.000 0.228 411 S C 2.004 176.549 174.600 -0.091 0.000 1.027 411 S CA 1.281 59.415 58.200 -0.110 0.000 0.991 411 S CB -0.441 62.762 63.200 0.005 0.000 0.823 411 S HN 0.376 nan 8.310 nan 0.000 0.469 412 F N 1.781 121.660 119.950 -0.118 0.000 2.163 412 F HA -0.076 4.457 4.527 0.010 0.000 0.297 412 F C 2.738 178.474 175.800 -0.106 0.000 1.094 412 F CA 0.970 58.924 58.000 -0.077 0.000 1.290 412 F CB -0.271 38.708 39.000 -0.035 0.000 1.017 412 F HN 0.179 nan 8.300 nan 0.000 0.483 413 Q N 0.174 119.998 119.800 0.041 0.000 2.050 413 Q HA -0.220 4.126 4.340 0.011 0.000 0.202 413 Q C 2.353 178.279 176.000 -0.123 0.000 0.980 413 Q CA 1.538 57.313 55.803 -0.046 0.000 0.840 413 Q CB -0.451 28.249 28.738 -0.064 0.000 0.898 413 Q HN 0.454 nan 8.270 nan 0.000 0.424 414 L N 0.269 121.350 121.223 -0.237 0.000 1.990 414 L HA -0.216 4.130 4.340 0.011 0.000 0.213 414 L C 2.001 178.775 176.870 -0.161 0.000 1.072 414 L CA 1.317 56.007 54.840 -0.249 0.000 0.755 414 L CB -0.365 41.465 42.059 -0.381 0.000 0.889 414 L HN 0.228 nan 8.230 nan 0.000 0.432 415 A N -1.025 121.696 122.820 -0.166 0.000 2.258 415 A HA -0.097 4.230 4.320 0.011 0.000 0.206 415 A C 0.967 178.484 177.584 -0.111 0.000 1.222 415 A CA 0.345 52.295 52.037 -0.145 0.000 0.822 415 A CB -0.382 18.497 19.000 -0.203 0.000 0.804 415 A HN 0.497 nan 8.150 nan 0.000 0.483 416 K N -1.664 118.683 120.400 -0.089 0.000 3.035 416 K HA -0.136 4.191 4.320 0.011 0.000 0.262 416 K C -0.482 176.089 176.600 -0.047 0.000 1.024 416 K CA 0.926 57.175 56.287 -0.063 0.000 0.748 416 K CB -2.236 30.228 32.500 -0.060 0.000 1.247 416 K HN 0.293 nan 8.250 nan 0.000 0.482 417 V N 0.508 120.406 119.914 -0.027 0.000 2.532 417 V HA 0.259 4.386 4.120 0.011 0.000 0.295 417 V C 0.828 177.000 176.094 0.129 0.000 1.041 417 V CA -0.801 61.519 62.300 0.034 0.000 0.926 417 V CB 2.053 33.851 31.823 -0.041 0.000 0.992 417 V HN 0.252 nan 8.190 nan 0.000 0.457 418 T N 5.850 120.451 114.554 0.078 0.000 2.916 418 T HA 0.530 4.886 4.350 0.011 0.000 0.303 418 T C -0.263 174.480 174.700 0.071 0.000 1.025 418 T CA 0.589 62.651 62.100 -0.063 0.000 1.142 418 T CB 0.185 68.876 68.868 -0.295 0.000 0.947 418 T HN 0.567 nan 8.240 nan 0.000 0.544 419 I N 1.980 122.511 120.570 -0.066 0.000 2.897 419 I HA 0.553 4.730 4.170 0.011 0.000 0.299 419 I C -1.758 174.354 176.117 -0.007 0.000 1.527 419 I CA -0.873 60.427 61.300 0.000 0.000 0.979 419 I CB 1.838 39.754 38.000 -0.140 0.000 1.360 419 I HN 0.448 nan 8.210 nan 0.000 0.495 420 V N 5.831 125.808 119.914 0.105 0.000 2.709 420 V HA 0.490 4.617 4.120 0.011 0.000 0.308 420 V C -1.159 174.978 176.094 0.072 0.000 1.062 420 V CA -0.411 61.957 62.300 0.114 0.000 0.901 420 V CB 2.089 34.069 31.823 0.262 0.000 1.003 420 V HN 0.796 nan 8.190 nan 0.000 0.425 421 D N 5.227 125.648 120.400 0.034 0.000 2.329 421 D HA 0.131 4.778 4.640 0.011 0.000 0.246 421 D C 1.039 177.328 176.300 -0.017 0.000 1.111 421 D CA -0.177 53.827 54.000 0.007 0.000 0.941 421 D CB 0.802 41.574 40.800 -0.046 0.000 1.169 421 D HN 0.816 nan 8.370 nan 0.000 0.441 422 H N 0.323 119.327 119.070 -0.111 0.000 2.457 422 H HA -0.173 4.390 4.556 0.011 0.000 0.297 422 H C 1.195 176.403 175.328 -0.201 0.000 1.092 422 H CA 1.274 57.210 56.048 -0.187 0.000 1.309 422 H CB -0.623 28.968 29.762 -0.286 0.000 1.382 422 H HN 0.519 nan 8.280 nan 0.000 0.535 423 H N 1.130 120.005 119.070 -0.325 0.000 2.307 423 H HA 0.131 4.693 4.556 0.011 0.000 0.303 423 H C 2.583 177.887 175.328 -0.040 0.000 1.073 423 H CA 1.337 57.288 56.048 -0.162 0.000 1.338 423 H CB -0.345 29.284 29.762 -0.223 0.000 1.389 423 H HN 0.504 nan 8.280 nan 0.000 0.503 424 A N 1.533 124.401 122.820 0.079 0.000 1.877 424 A HA -0.118 4.209 4.320 0.011 0.000 0.216 424 A C 2.724 180.371 177.584 0.105 0.000 1.186 424 A CA 1.959 54.046 52.037 0.083 0.000 0.620 424 A CB -0.991 18.049 19.000 0.067 0.000 0.822 424 A HN 0.434 nan 8.150 nan 0.000 0.443 425 A N -0.146 122.733 122.820 0.099 0.000 1.873 425 A HA -0.206 4.121 4.320 0.011 0.000 0.218 425 A C 2.491 180.158 177.584 0.139 0.000 1.193 425 A CA 3.155 55.266 52.037 0.124 0.000 0.629 425 A CB -1.663 17.395 19.000 0.097 0.000 0.826 425 A HN 0.828 nan 8.150 nan 0.000 0.447 426 T N -2.450 112.170 114.554 0.111 0.000 2.788 426 T HA -0.101 4.256 4.350 0.011 0.000 0.268 426 T C 1.698 176.524 174.700 0.209 0.000 1.044 426 T CA 1.440 63.631 62.100 0.152 0.000 1.139 426 T CB -0.890 68.039 68.868 0.100 0.000 0.867 426 T HN 0.083 nan 8.240 nan 0.000 0.454 427 V N 2.947 122.958 119.914 0.163 0.000 2.332 427 V HA -0.200 3.927 4.120 0.011 0.000 0.248 427 V C 3.201 179.386 176.094 0.153 0.000 1.055 427 V CA 2.208 64.597 62.300 0.148 0.000 1.038 427 V CB -1.086 30.806 31.823 0.114 0.000 0.651 427 V HN 0.808 nan 8.190 nan 0.000 0.450 428 S N -0.407 115.391 115.700 0.163 0.000 2.423 428 S HA -0.199 4.277 4.470 0.011 0.000 0.231 428 S C 1.901 176.626 174.600 0.207 0.000 1.014 428 S CA 1.434 59.730 58.200 0.161 0.000 0.965 428 S CB -0.713 62.583 63.200 0.159 0.000 0.785 428 S HN 0.522 nan 8.310 nan 0.000 0.495 429 F N 2.064 122.074 119.950 0.101 0.000 2.259 429 F HA 0.137 4.670 4.527 0.010 0.000 0.298 429 F C 2.167 178.055 175.800 0.147 0.000 1.088 429 F CA 0.887 58.962 58.000 0.125 0.000 1.358 429 F CB -0.313 38.738 39.000 0.085 0.000 1.040 429 F HN 0.082 nan 8.300 nan 0.000 0.505 430 M N 0.150 119.832 119.600 0.137 0.000 2.086 430 M HA -0.174 4.313 4.480 0.011 0.000 0.261 430 M C 2.227 178.509 176.300 -0.030 0.000 1.067 430 M CA 1.514 56.839 55.300 0.042 0.000 1.116 430 M CB -1.297 31.368 32.600 0.109 0.000 1.348 430 M HN 0.037 nan 8.290 nan 0.000 0.407 431 K N -0.395 120.018 120.400 0.022 0.000 2.097 431 K HA -0.205 4.121 4.320 0.011 0.000 0.206 431 K C 1.988 178.576 176.600 -0.020 0.000 1.049 431 K CA 1.690 57.984 56.287 0.012 0.000 0.933 431 K CB -0.597 31.932 32.500 0.049 0.000 0.717 431 K HN 0.395 nan 8.250 nan 0.000 0.442 432 H N -0.012 118.976 119.070 -0.137 0.000 2.321 432 H HA -0.004 4.558 4.556 0.011 0.000 0.300 432 H C 1.673 176.843 175.328 -0.262 0.000 1.087 432 H CA 2.206 58.143 56.048 -0.186 0.000 1.319 432 H CB -0.169 29.445 29.762 -0.246 0.000 1.379 432 H HN 0.165 nan 8.280 nan 0.000 0.501 433 L N -0.255 120.677 121.223 -0.485 0.000 2.046 433 L HA -0.150 4.197 4.340 0.011 0.000 0.208 433 L C 2.348 179.053 176.870 -0.275 0.000 1.077 433 L CA 1.827 56.402 54.840 -0.443 0.000 0.747 433 L CB -0.530 41.325 42.059 -0.339 0.000 0.896 433 L HN 0.395 nan 8.230 nan 0.000 0.432 434 D N 0.023 120.313 120.400 -0.184 0.000 2.097 434 D HA -0.201 4.445 4.640 0.011 0.000 0.195 434 D C 1.900 178.126 176.300 -0.123 0.000 0.989 434 D CA 1.413 55.343 54.000 -0.116 0.000 0.827 434 D CB 0.108 40.867 40.800 -0.067 0.000 0.966 434 D HN 0.170 nan 8.370 nan 0.000 0.456 435 N N 0.493 119.109 118.700 -0.140 0.000 2.058 435 N HA -0.128 4.618 4.740 0.011 0.000 0.191 435 N C 1.648 177.067 175.510 -0.152 0.000 1.037 435 N CA 0.887 53.871 53.050 -0.110 0.000 0.848 435 N CB -0.423 38.026 38.487 -0.063 0.000 1.021 435 N HN 0.286 nan 8.380 nan 0.000 0.422 436 E N 0.938 120.963 120.200 -0.293 0.000 2.209 436 E HA -0.155 4.201 4.350 0.011 0.000 0.196 436 E C 1.794 178.285 176.600 -0.181 0.000 0.993 436 E CA 0.606 56.830 56.400 -0.293 0.000 0.819 436 E CB -0.026 29.375 29.700 -0.498 0.000 0.745 436 E HN 0.377 nan 8.360 nan 0.000 0.477 437 Q N 0.816 120.521 119.800 -0.159 0.000 2.030 437 Q HA -0.132 4.215 4.340 0.011 0.000 0.204 437 Q C 2.019 177.970 176.000 -0.083 0.000 0.986 437 Q CA 1.374 57.115 55.803 -0.105 0.000 0.843 437 Q CB -0.166 28.520 28.738 -0.087 0.000 0.904 437 Q HN 0.307 nan 8.270 nan 0.000 0.420 438 K N -0.255 120.101 120.400 -0.074 0.000 2.211 438 K HA -0.036 4.290 4.320 0.011 0.000 0.203 438 K C 1.953 178.522 176.600 -0.050 0.000 1.050 438 K CA 0.991 57.245 56.287 -0.055 0.000 0.945 438 K CB -0.008 32.466 32.500 -0.043 0.000 0.732 438 K HN 0.110 nan 8.250 nan 0.000 0.451 439 A N 1.443 124.229 122.820 -0.058 0.000 1.878 439 A HA -0.020 4.307 4.320 0.011 0.000 0.213 439 A C 1.799 179.352 177.584 -0.051 0.000 1.192 439 A CA 0.846 52.859 52.037 -0.041 0.000 0.619 439 A CB 0.070 19.057 19.000 -0.023 0.000 0.837 439 A HN 0.154 nan 8.150 nan 0.000 0.446 440 R N -2.371 118.085 120.500 -0.073 0.000 2.531 440 R HA 0.291 4.637 4.340 0.011 0.000 0.316 440 R C 0.867 177.125 176.300 -0.070 0.000 0.955 440 R CA 0.536 56.596 56.100 -0.066 0.000 1.120 440 R CB 0.777 31.034 30.300 -0.072 0.000 1.361 440 R HN 0.691 nan 8.270 nan 0.000 0.534 441 G N 0.717 109.469 108.800 -0.079 0.000 2.141 441 G HA2 -0.171 3.796 3.960 0.011 0.000 0.242 441 G HA3 -0.171 3.796 3.960 0.011 0.000 0.242 441 G C 0.216 175.080 174.900 -0.061 0.000 0.982 441 G CA -0.128 44.918 45.100 -0.089 0.000 0.662 441 G HN 0.729 nan 8.290 nan 0.000 0.527 442 G N -2.327 106.447 108.800 -0.044 0.000 2.320 442 G HA2 0.547 4.513 3.960 0.011 0.000 0.297 442 G HA3 0.547 4.513 3.960 0.011 0.000 0.297 442 G C -0.987 173.909 174.900 -0.007 0.000 1.344 442 G CA 0.335 45.440 45.100 0.007 0.000 0.851 442 G HN 1.821 nan 8.290 nan 0.000 0.567 443 C N 2.057 121.371 119.300 0.023 0.000 2.705 443 C HA 0.742 5.208 4.460 0.011 0.000 0.369 443 C C -2.513 172.451 174.990 -0.043 0.000 1.069 443 C CA -1.247 57.745 59.018 -0.043 0.000 1.260 443 C CB 1.393 29.046 27.740 -0.146 0.000 1.764 443 C HN 0.684 nan 8.230 nan 0.000 0.469 444 P HA 0.419 nan 4.420 nan 0.000 0.271 444 P C -0.719 176.480 177.300 -0.168 0.000 1.233 444 P CA 0.491 63.255 63.100 -0.559 0.000 0.764 444 P CB 1.143 32.212 31.700 -1.052 0.000 0.825 445 A N 2.800 125.593 122.820 -0.047 0.000 2.486 445 A HA 0.408 4.734 4.320 0.011 0.000 0.300 445 A C -0.934 176.703 177.584 0.089 0.000 1.048 445 A CA -0.585 51.510 52.037 0.096 0.000 0.696 445 A CB 1.317 20.506 19.000 0.315 0.000 1.278 445 A HN 0.452 nan 8.150 nan 0.000 0.405 446 D N 1.968 122.408 120.400 0.066 0.000 2.456 446 D HA 0.110 4.757 4.640 0.011 0.000 0.219 446 D C 0.829 177.254 176.300 0.208 0.000 1.126 446 D CA -0.446 53.625 54.000 0.118 0.000 0.890 446 D CB 0.284 41.094 40.800 0.017 0.000 1.025 446 D HN 0.595 nan 8.370 nan 0.000 0.511 447 W N 4.217 125.561 121.300 0.073 0.000 2.290 447 W HA -0.349 4.318 4.660 0.011 0.000 0.323 447 W C 2.030 178.587 176.519 0.064 0.000 1.260 447 W CA 2.666 60.042 57.345 0.052 0.000 1.266 447 W CB -0.107 29.360 29.460 0.012 0.000 1.149 447 W HN 0.560 nan 8.180 nan 0.000 0.482 448 A N -1.586 121.486 122.820 0.421 0.000 2.024 448 A HA -0.204 4.123 4.320 0.011 0.000 0.220 448 A C 1.483 179.109 177.584 0.070 0.000 1.164 448 A CA 1.636 53.836 52.037 0.272 0.000 0.643 448 A CB -1.253 17.952 19.000 0.341 0.000 0.806 448 A HN 0.542 nan 8.150 nan 0.000 0.451 449 W N -0.924 120.333 121.300 -0.072 0.000 2.812 449 W HA 0.203 4.869 4.660 0.010 0.000 0.263 449 W C 1.794 178.187 176.519 -0.211 0.000 1.284 449 W CA -0.078 57.204 57.345 -0.106 0.000 1.430 449 W CB 0.060 29.488 29.460 -0.054 0.000 1.088 449 W HN 0.148 nan 8.180 nan 0.000 0.623 450 I N -0.393 120.112 120.570 -0.110 0.000 2.333 450 I HA -0.050 4.126 4.170 0.011 0.000 0.246 450 I C 0.709 176.606 176.117 -0.365 0.000 1.106 450 I CA 0.719 61.828 61.300 -0.319 0.000 1.411 450 I CB -1.478 36.259 38.000 -0.438 0.000 1.082 450 I HN -0.427 nan 8.210 nan 0.000 0.420 451 V N 3.991 123.600 119.914 -0.507 0.000 2.521 451 V HA 0.073 4.199 4.120 0.011 0.000 0.286 451 V C -1.887 174.022 176.094 -0.309 0.000 1.034 451 V CA -0.982 61.033 62.300 -0.476 0.000 1.045 451 V CB 0.179 31.530 31.823 -0.787 0.000 0.974 451 V HN 0.125 nan 8.190 nan 0.000 0.480 452 P HA 0.141 nan 4.420 nan 0.000 0.268 452 P C -2.080 175.074 177.300 -0.244 0.000 1.208 452 P CA -1.018 61.940 63.100 -0.237 0.000 0.777 452 P CB 0.005 31.558 31.700 -0.245 0.000 0.875 453 P HA -0.012 nan 4.420 nan 0.000 0.231 453 P C 0.112 177.283 177.300 -0.215 0.000 1.158 453 P CA 1.132 64.097 63.100 -0.225 0.000 0.763 453 P CB -0.153 31.410 31.700 -0.229 0.000 0.805 454 I N -8.762 111.641 120.570 -0.279 0.000 3.102 454 I HA 0.426 4.603 4.170 0.011 0.000 0.310 454 I C -0.097 175.875 176.117 -0.242 0.000 1.246 454 I CA -1.256 59.895 61.300 -0.248 0.000 0.979 454 I CB 1.815 39.656 38.000 -0.265 0.000 1.267 454 I HN -0.435 nan 8.210 nan 0.000 0.451 455 S N 1.691 117.313 115.700 -0.131 0.000 3.419 455 S HA -0.219 4.258 4.470 0.011 0.000 0.350 455 S C 1.390 175.945 174.600 -0.076 0.000 1.128 455 S CA 1.044 59.217 58.200 -0.045 0.000 0.999 455 S CB -1.753 61.510 63.200 0.105 0.000 0.923 455 S HN 1.305 nan 8.310 nan 0.000 0.522 456 G N 2.194 110.913 108.800 -0.135 0.000 2.681 456 G HA2 -0.371 3.595 3.960 0.011 0.000 0.220 456 G HA3 -0.371 3.595 3.960 0.011 0.000 0.220 456 G C 1.390 176.111 174.900 -0.297 0.000 1.210 456 G CA 1.696 46.710 45.100 -0.143 0.000 0.783 456 G HN 1.334 nan 8.290 nan 0.000 0.609 457 S N 0.223 115.483 115.700 -0.733 0.000 2.603 457 S HA 0.226 4.703 4.470 0.011 0.000 0.229 457 S C 1.944 176.445 174.600 -0.166 0.000 0.972 457 S CA 0.528 58.160 58.200 -0.947 0.000 0.935 457 S CB -0.120 62.397 63.200 -1.139 0.000 0.769 457 S HN 0.341 nan 8.310 nan 0.000 0.536 458 L N 1.775 122.971 121.223 -0.044 0.000 2.567 458 L HA 0.174 4.521 4.340 0.011 0.000 0.225 458 L C 1.122 178.120 176.870 0.213 0.000 1.119 458 L CA 0.306 55.218 54.840 0.120 0.000 0.871 458 L CB -0.622 41.536 42.059 0.166 0.000 1.036 458 L HN 0.448 nan 8.230 nan 0.000 0.459 459 T N -4.064 110.591 114.554 0.169 0.000 2.929 459 T HA 0.312 4.669 4.350 0.011 0.000 0.284 459 T C -1.684 173.173 174.700 0.262 0.000 1.014 459 T CA -1.988 60.231 62.100 0.197 0.000 1.051 459 T CB 1.898 70.825 68.868 0.098 0.000 1.028 459 T HN -0.191 nan 8.240 nan 0.000 0.485 460 P HA -0.080 nan 4.420 nan 0.000 0.221 460 P C 1.821 179.333 177.300 0.352 0.000 1.150 460 P CA 0.944 64.254 63.100 0.350 0.000 0.800 460 P CB -0.329 31.519 31.700 0.246 0.000 0.787 461 V N -3.079 116.986 119.914 0.251 0.000 2.407 461 V HA -0.231 3.895 4.120 0.011 0.000 0.248 461 V C 2.414 178.633 176.094 0.209 0.000 1.055 461 V CA 1.428 63.855 62.300 0.212 0.000 1.049 461 V CB -2.382 29.485 31.823 0.075 0.000 0.662 461 V HN -0.100 nan 8.190 nan 0.000 0.455 462 F N 1.795 121.725 119.950 -0.035 0.000 2.184 462 F HA -0.236 4.297 4.527 0.011 0.000 0.301 462 F C 2.445 178.368 175.800 0.204 0.000 1.076 462 F CA 2.407 60.410 58.000 0.006 0.000 1.295 462 F CB -0.286 38.580 39.000 -0.224 0.000 1.026 462 F HN 0.297 nan 8.300 nan 0.000 0.494 463 H N -1.271 118.134 119.070 0.557 0.000 2.539 463 H HA 0.104 4.667 4.556 0.011 0.000 0.267 463 H C 0.403 175.982 175.328 0.418 0.000 0.982 463 H CA 0.271 56.594 56.048 0.458 0.000 1.146 463 H CB -0.162 29.849 29.762 0.415 0.000 1.382 463 H HN 0.250 nan 8.280 nan 0.000 0.577 464 Q N 2.102 122.190 119.800 0.479 0.000 2.303 464 Q HA 0.143 4.490 4.340 0.011 0.000 0.257 464 Q C -0.472 175.771 176.000 0.405 0.000 0.941 464 Q CA -0.331 55.707 55.803 0.393 0.000 0.931 464 Q CB 0.740 29.676 28.738 0.330 0.000 1.215 464 Q HN 0.249 nan 8.270 nan 0.000 0.437 465 E N 3.345 123.726 120.200 0.302 0.000 2.390 465 E HA 0.300 4.656 4.350 0.011 0.000 0.261 465 E C -0.470 176.270 176.600 0.232 0.000 1.076 465 E CA 0.202 56.725 56.400 0.206 0.000 0.905 465 E CB 0.828 30.635 29.700 0.179 0.000 0.984 465 E HN 0.594 nan 8.360 nan 0.000 0.427 466 M N 1.275 121.006 119.600 0.218 0.000 2.433 466 M HA 0.313 4.800 4.480 0.011 0.000 0.290 466 M C -1.240 175.169 176.300 0.182 0.000 1.173 466 M CA -0.916 54.524 55.300 0.233 0.000 0.905 466 M CB 2.361 35.161 32.600 0.334 0.000 1.692 466 M HN 0.152 nan 8.290 nan 0.000 0.462 467 V N 1.984 122.008 119.914 0.184 0.000 2.427 467 V HA 0.409 4.535 4.120 0.011 0.000 0.286 467 V C -0.390 175.799 176.094 0.158 0.000 1.034 467 V CA -0.608 61.826 62.300 0.222 0.000 0.893 467 V CB 1.575 33.594 31.823 0.326 0.000 0.982 467 V HN 0.877 nan 8.190 nan 0.000 0.452 468 N N 3.364 122.154 118.700 0.151 0.000 2.342 468 N HA 0.688 5.435 4.740 0.011 0.000 0.293 468 N C -1.712 173.857 175.510 0.097 0.000 1.026 468 N CA -0.414 52.632 53.050 -0.007 0.000 0.857 468 N CB 1.904 40.410 38.487 0.032 0.000 1.256 468 N HN 0.731 nan 8.380 nan 0.000 0.484 469 Y N 0.662 120.981 120.300 0.032 0.000 2.677 469 Y HA 0.471 5.028 4.550 0.011 0.000 0.334 469 Y C -1.392 174.511 175.900 0.005 0.000 1.196 469 Y CA -1.158 56.955 58.100 0.021 0.000 1.059 469 Y CB 0.656 39.133 38.460 0.029 0.000 1.315 469 Y HN 0.185 nan 8.280 nan 0.000 0.455 470 I N 3.659 124.338 120.570 0.181 0.000 2.312 470 I HA 0.363 4.540 4.170 0.011 0.000 0.291 470 I C -0.693 175.503 176.117 0.131 0.000 1.031 470 I CA -0.344 61.007 61.300 0.085 0.000 1.293 470 I CB 0.686 38.717 38.000 0.051 0.000 1.403 470 I HN 0.404 nan 8.210 nan 0.000 0.484 471 L N 5.212 126.481 121.223 0.078 0.000 2.334 471 L HA 0.531 4.878 4.340 0.011 0.000 0.273 471 L C 0.041 176.921 176.870 0.016 0.000 1.013 471 L CA -0.475 54.413 54.840 0.081 0.000 0.816 471 L CB 2.040 44.150 42.059 0.084 0.000 1.278 471 L HN 0.515 nan 8.230 nan 0.000 0.431 472 S N 2.138 117.856 115.700 0.030 0.000 2.503 472 S HA 0.628 5.105 4.470 0.011 0.000 0.301 472 S C -2.502 172.124 174.600 0.043 0.000 1.087 472 S CA -1.438 56.765 58.200 0.007 0.000 1.042 472 S CB 1.835 65.051 63.200 0.028 0.000 1.043 472 S HN 0.245 nan 8.310 nan 0.000 0.489 473 P HA 0.406 nan 4.420 nan 0.000 0.270 473 P C -1.030 176.159 177.300 -0.186 0.000 1.221 473 P CA 0.056 63.076 63.100 -0.134 0.000 0.788 473 P CB 0.460 32.035 31.700 -0.208 0.000 0.904 474 A N 0.192 122.846 122.820 -0.277 0.000 2.511 474 A HA 0.688 5.014 4.320 0.011 0.000 0.293 474 A C -1.886 175.450 177.584 -0.414 0.000 1.098 474 A CA -0.470 51.400 52.037 -0.278 0.000 0.643 474 A CB 0.548 19.469 19.000 -0.131 0.000 1.302 474 A HN 0.321 nan 8.150 nan 0.000 0.446 475 F N 0.602 120.470 119.950 -0.138 0.000 2.482 475 F HA 0.692 5.225 4.527 0.010 0.000 0.331 475 F C 0.743 176.433 175.800 -0.185 0.000 1.115 475 F CA -0.206 57.714 58.000 -0.135 0.000 0.955 475 F CB 2.218 41.114 39.000 -0.173 0.000 1.136 475 F HN 0.530 nan 8.300 nan 0.000 0.452 476 R N 1.908 122.433 120.500 0.042 0.000 2.807 476 R HA 0.458 4.805 4.340 0.011 0.000 0.276 476 R C -1.554 174.729 176.300 -0.028 0.000 0.979 476 R CA -1.219 54.840 56.100 -0.069 0.000 0.928 476 R CB 1.811 32.102 30.300 -0.015 0.000 1.191 476 R HN 0.425 nan 8.270 nan 0.000 0.471 477 Y N 1.668 121.981 120.300 0.022 0.000 2.397 477 Y HA 0.080 4.637 4.550 0.011 0.000 0.335 477 Y C 0.679 176.570 175.900 -0.015 0.000 1.213 477 Y CA 0.049 58.150 58.100 0.002 0.000 1.391 477 Y CB 0.732 39.182 38.460 -0.017 0.000 1.293 477 Y HN 0.451 nan 8.280 nan 0.000 0.557 478 Q N 1.991 121.871 119.800 0.134 0.000 2.421 478 Q HA 0.659 5.006 4.340 0.011 0.000 0.280 478 Q C -3.032 172.929 176.000 -0.065 0.000 1.085 478 Q CA -2.455 53.362 55.803 0.024 0.000 0.807 478 Q CB 1.766 30.510 28.738 0.010 0.000 1.405 478 Q HN 0.319 nan 8.270 nan 0.000 0.419 479 P HA 0.042 nan 4.420 nan 0.000 0.267 479 P C -0.896 176.192 177.300 -0.352 0.000 1.200 479 P CA 0.040 63.018 63.100 -0.203 0.000 0.772 479 P CB 0.408 32.008 31.700 -0.166 0.000 0.855 480 D N 3.413 123.478 120.400 -0.560 0.000 2.414 480 D HA -0.006 4.641 4.640 0.011 0.000 0.242 480 D C -1.118 174.613 176.300 -0.948 0.000 1.129 480 D CA -0.727 52.651 54.000 -1.036 0.000 0.885 480 D CB 0.453 40.196 40.800 -1.761 0.000 1.198 480 D HN 0.314 nan 8.370 nan 0.000 0.437 481 P HA -0.049 nan 4.420 nan 0.000 0.234 481 P C -0.029 176.970 177.300 -0.501 0.000 1.167 481 P CA 0.623 63.340 63.100 -0.639 0.000 0.763 481 P CB 0.082 31.395 31.700 -0.645 0.000 0.835 482 W N 0.000 120.972 121.300 -0.546 0.000 2.388 482 W HA 0.000 4.666 4.660 0.010 0.000 0.303 482 W CA 0.000 57.145 57.345 -0.333 0.000 1.226 482 W CB 0.000 29.235 29.460 -0.376 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535