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 1dmk_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.391 176.600 -0.348 0.000 0.988 69 K CA 0.000 56.104 56.287 -0.305 0.000 0.838 69 K CB 0.000 32.221 32.500 -0.466 0.000 1.064 70 F N 5.680 125.638 119.950 0.014 0.000 2.444 70 F HA 0.228 4.756 4.527 0.002 0.000 0.360 70 F C -1.799 174.062 175.800 0.101 0.000 1.106 70 F CA -1.740 56.283 58.000 0.038 0.000 1.170 70 F CB 0.098 39.122 39.000 0.040 0.000 1.113 70 F HN 0.054 nan 8.300 nan 0.000 0.521 71 P HA 0.003 nan 4.420 nan 0.000 0.268 71 P C -0.661 176.736 177.300 0.163 0.000 1.204 71 P CA -0.420 62.773 63.100 0.155 0.000 0.768 71 P CB 0.873 32.633 31.700 0.100 0.000 0.842 72 R N 2.758 123.309 120.500 0.086 0.000 2.196 72 R HA 0.365 4.707 4.340 0.002 0.000 0.340 72 R C -0.967 175.262 176.300 -0.119 0.000 1.043 72 R CA -0.525 55.489 56.100 -0.144 0.000 0.883 72 R CB 0.310 30.562 30.300 -0.080 0.000 1.078 72 R HN 0.257 nan 8.270 nan 0.000 0.462 73 V N 5.226 125.038 119.914 -0.170 0.000 2.394 73 V HA 0.352 4.473 4.120 0.002 0.000 0.282 73 V C -0.054 175.984 176.094 -0.093 0.000 1.031 73 V CA -0.602 61.665 62.300 -0.055 0.000 0.881 73 V CB 1.392 33.217 31.823 0.002 0.000 0.982 73 V HN 0.713 nan 8.190 nan 0.000 0.451 74 K N 3.746 124.137 120.400 -0.016 0.000 2.316 74 K HA 0.419 4.740 4.320 0.002 0.000 0.251 74 K C -0.799 175.814 176.600 0.022 0.000 0.934 74 K CA -0.737 55.489 56.287 -0.102 0.000 0.802 74 K CB 1.634 33.952 32.500 -0.302 0.000 1.171 74 K HN 0.704 nan 8.250 nan 0.000 0.426 75 N N 3.996 122.676 118.700 -0.033 0.000 2.457 75 N HA 0.103 4.845 4.740 0.002 0.000 0.250 75 N C -0.321 175.223 175.510 0.056 0.000 0.982 75 N CA -0.354 52.772 53.050 0.126 0.000 0.941 75 N CB 0.465 39.013 38.487 0.101 0.000 1.120 75 N HN 0.656 nan 8.380 nan 0.000 0.505 76 W N 2.067 123.449 121.300 0.138 0.000 2.937 76 W HA 0.121 4.783 4.660 0.002 0.000 0.245 76 W C 2.008 178.579 176.519 0.087 0.000 1.306 76 W CA -0.076 57.340 57.345 0.119 0.000 1.470 76 W CB 0.197 29.750 29.460 0.155 0.000 1.132 76 W HN 0.670 nan 8.180 nan 0.000 0.675 77 E N 0.279 120.627 120.200 0.245 0.000 2.140 77 E HA -0.081 4.271 4.350 0.002 0.000 0.191 77 E C 1.678 178.307 176.600 0.049 0.000 0.973 77 E CA 0.930 57.381 56.400 0.084 0.000 0.829 77 E CB -0.131 29.586 29.700 0.029 0.000 0.781 77 E HN 0.258 nan 8.360 nan 0.000 0.466 78 L N -1.025 120.227 121.223 0.049 0.000 2.556 78 L HA 0.350 4.691 4.340 0.002 0.000 0.226 78 L C 1.556 178.407 176.870 -0.031 0.000 1.089 78 L CA 0.413 55.260 54.840 0.011 0.000 0.864 78 L CB 0.548 42.619 42.059 0.020 0.000 1.067 78 L HN 0.395 nan 8.230 nan 0.000 0.477 79 G N 0.764 109.519 108.800 -0.076 0.000 2.162 79 G HA2 -0.308 3.653 3.960 0.002 0.000 0.260 79 G HA3 -0.308 3.653 3.960 0.002 0.000 0.260 79 G C 0.401 175.210 174.900 -0.152 0.000 0.976 79 G CA 0.439 45.445 45.100 -0.157 0.000 0.655 79 G HN 0.462 nan 8.290 nan 0.000 0.533 80 S N -0.417 115.221 115.700 -0.104 0.000 2.580 80 S HA 0.739 5.210 4.470 0.002 0.000 0.274 80 S C 0.127 174.650 174.600 -0.129 0.000 1.329 80 S CA -0.403 57.744 58.200 -0.090 0.000 1.036 80 S CB 2.065 65.237 63.200 -0.046 0.000 0.919 80 S HN 0.588 nan 8.310 nan 0.000 0.515 81 I N 1.773 122.265 120.570 -0.131 0.000 2.545 81 I HA 0.508 4.679 4.170 0.002 0.000 0.292 81 I C -0.095 175.904 176.117 -0.197 0.000 1.040 81 I CA -0.491 60.689 61.300 -0.200 0.000 1.068 81 I CB 2.610 40.464 38.000 -0.243 0.000 1.251 81 I HN 0.968 nan 8.210 nan 0.000 0.424 82 T N 1.174 115.571 114.554 -0.262 0.000 2.896 82 T HA 0.606 4.958 4.350 0.002 0.000 0.297 82 T C -1.290 173.216 174.700 -0.323 0.000 1.108 82 T CA -0.757 61.236 62.100 -0.178 0.000 1.004 82 T CB 1.595 70.427 68.868 -0.059 0.000 1.159 82 T HN 0.275 nan 8.240 nan 0.000 0.499 83 Y N 0.698 121.000 120.300 0.004 0.000 2.328 83 Y HA 0.402 4.953 4.550 0.002 0.000 0.333 83 Y C 0.202 176.119 175.900 0.027 0.000 0.958 83 Y CA -0.989 57.124 58.100 0.022 0.000 1.167 83 Y CB 1.379 39.837 38.460 -0.004 0.000 1.151 83 Y HN 0.707 nan 8.280 nan 0.000 0.470 84 D N 2.318 122.825 120.400 0.179 0.000 2.339 84 D HA 0.042 4.683 4.640 0.002 0.000 0.256 84 D C 0.756 177.175 176.300 0.198 0.000 1.214 84 D CA 0.365 54.456 54.000 0.152 0.000 0.877 84 D CB 1.177 42.069 40.800 0.153 0.000 1.111 84 D HN 0.769 nan 8.370 nan 0.000 0.478 85 T N 1.038 115.662 114.554 0.116 0.000 3.010 85 T HA -0.015 4.336 4.350 0.002 0.000 0.257 85 T C 1.717 176.480 174.700 0.105 0.000 1.020 85 T CA -0.336 61.840 62.100 0.127 0.000 0.938 85 T CB 0.117 68.857 68.868 -0.214 0.000 1.049 85 T HN 0.242 nan 8.240 nan 0.000 0.522 86 L N 2.402 123.655 121.223 0.049 0.000 2.217 86 L HA 0.129 4.470 4.340 0.002 0.000 0.211 86 L C 2.532 179.325 176.870 -0.128 0.000 1.107 86 L CA 1.035 55.897 54.840 0.036 0.000 0.783 86 L CB -0.774 41.363 42.059 0.131 0.000 0.919 86 L HN 0.655 nan 8.230 nan 0.000 0.442 87 C N -1.761 117.255 119.300 -0.474 0.000 2.422 87 C HA 0.131 4.592 4.460 0.002 0.000 0.286 87 C C 2.749 177.487 174.990 -0.420 0.000 1.412 87 C CA 0.105 58.471 59.018 -1.087 0.000 1.786 87 C CB -2.141 24.865 27.740 -1.223 0.000 1.835 87 C HN 0.553 nan 8.230 nan 0.000 0.533 88 A N 0.297 123.028 122.820 -0.148 0.000 2.067 88 A HA -0.081 4.240 4.320 0.002 0.000 0.219 88 A C 2.239 179.805 177.584 -0.031 0.000 1.158 88 A CA 1.359 53.364 52.037 -0.054 0.000 0.661 88 A CB -0.414 18.667 19.000 0.135 0.000 0.801 88 A HN 0.647 nan 8.150 nan 0.000 0.452 89 Q N 0.166 119.956 119.800 -0.017 0.000 2.435 89 Q HA 0.048 4.389 4.340 0.002 0.000 0.207 89 Q C 0.870 176.890 176.000 0.034 0.000 0.956 89 Q CA 0.477 56.295 55.803 0.025 0.000 0.917 89 Q CB -0.624 28.146 28.738 0.054 0.000 0.997 89 Q HN 0.496 nan 8.270 nan 0.000 0.497 90 S N 1.298 117.004 115.700 0.010 0.000 2.481 90 S HA 0.016 4.487 4.470 0.002 0.000 0.282 90 S C 0.899 175.517 174.600 0.030 0.000 1.243 90 S CA -0.158 58.077 58.200 0.057 0.000 1.078 90 S CB 0.410 63.658 63.200 0.081 0.000 0.916 90 S HN 0.092 nan 8.310 nan 0.000 0.495 91 Q N 2.446 122.270 119.800 0.041 0.000 2.378 91 Q HA 0.231 4.572 4.340 0.002 0.000 0.216 91 Q C 0.375 176.391 176.000 0.025 0.000 0.892 91 Q CA 0.431 56.251 55.803 0.028 0.000 0.931 91 Q CB 0.168 28.925 28.738 0.033 0.000 1.086 91 Q HN 0.657 nan 8.270 nan 0.000 0.528 92 Q N 0.929 120.749 119.800 0.034 0.000 2.221 92 Q HA 0.193 4.534 4.340 0.002 0.000 0.242 92 Q C -0.833 175.185 176.000 0.031 0.000 0.940 92 Q CA -0.030 55.789 55.803 0.027 0.000 0.896 92 Q CB 1.210 29.962 28.738 0.024 0.000 1.226 92 Q HN 0.050 nan 8.270 nan 0.000 0.463 93 D N 0.181 120.594 120.400 0.022 0.000 2.163 93 D HA 0.489 5.130 4.640 0.002 0.000 0.248 93 D C -0.055 176.259 176.300 0.024 0.000 1.035 93 D CA -0.152 53.861 54.000 0.022 0.000 0.872 93 D CB 1.589 42.397 40.800 0.013 0.000 1.183 93 D HN 0.623 nan 8.370 nan 0.000 0.445 94 G N 0.774 109.592 108.800 0.030 0.000 2.532 94 G HA2 0.374 4.335 3.960 0.002 0.000 0.291 94 G HA3 0.374 4.335 3.960 0.002 0.000 0.291 94 G C -1.493 173.421 174.900 0.022 0.000 1.349 94 G CA -0.688 44.429 45.100 0.029 0.000 1.038 94 G HN 0.334 nan 8.290 nan 0.000 0.518 95 P HA 0.137 nan 4.420 nan 0.000 0.240 95 P C 0.339 177.649 177.300 0.017 0.000 1.190 95 P CA 0.005 63.117 63.100 0.019 0.000 0.781 95 P CB 0.136 31.849 31.700 0.022 0.000 0.931 96 C N 0.876 120.188 119.300 0.019 0.000 2.520 96 C HA 0.600 5.062 4.460 0.002 0.000 0.376 96 C C 1.071 176.067 174.990 0.010 0.000 1.268 96 C CA 0.135 59.162 59.018 0.015 0.000 2.414 96 C CB 0.787 28.538 27.740 0.019 0.000 2.521 96 C HN 0.391 nan 8.230 nan 0.000 0.618 97 T N -1.875 112.682 114.554 0.005 0.000 2.816 97 T HA 0.412 4.763 4.350 0.002 0.000 0.299 97 T C -2.553 172.146 174.700 -0.001 0.000 1.230 97 T CA -0.964 61.137 62.100 0.001 0.000 1.007 97 T CB 1.132 70.000 68.868 -0.000 0.000 1.289 97 T HN 0.250 nan 8.240 nan 0.000 0.508 98 P HA 0.087 nan 4.420 nan 0.000 0.220 98 P C 1.425 178.722 177.300 -0.005 0.000 1.148 98 P CA 0.744 63.841 63.100 -0.005 0.000 0.803 98 P CB 0.116 31.812 31.700 -0.007 0.000 0.782 99 R N -0.729 119.768 120.500 -0.004 0.000 2.090 99 R HA 0.027 4.369 4.340 0.002 0.000 0.228 99 R C 0.963 177.261 176.300 -0.004 0.000 1.110 99 R CA 0.833 56.930 56.100 -0.004 0.000 0.973 99 R CB -0.102 30.196 30.300 -0.003 0.000 0.869 99 R HN 0.228 nan 8.270 nan 0.000 0.440 100 R N -0.322 120.177 120.500 -0.002 0.000 2.663 100 R HA 0.217 4.558 4.340 0.002 0.000 0.267 100 R C -1.742 174.558 176.300 0.000 0.000 1.038 100 R CA -0.783 55.316 56.100 -0.002 0.000 0.886 100 R CB 0.588 30.887 30.300 -0.001 0.000 1.249 100 R HN 0.034 nan 8.270 nan 0.000 0.463 101 C N 3.367 122.667 119.300 -0.000 0.000 2.329 101 C HA 0.615 5.076 4.460 0.002 0.000 0.329 101 C C 0.606 175.602 174.990 0.010 0.000 1.275 101 C CA -0.730 58.291 59.018 0.004 0.000 1.726 101 C CB -0.407 27.331 27.740 -0.003 0.000 2.291 101 C HN 0.769 nan 8.230 nan 0.000 0.514 102 L N 5.634 126.868 121.223 0.018 0.000 3.110 102 L HA 0.284 4.625 4.340 0.002 0.000 0.266 102 L C 2.034 178.927 176.870 0.039 0.000 1.257 102 L CA 0.239 55.094 54.840 0.025 0.000 1.038 102 L CB -0.099 41.973 42.059 0.023 0.000 1.395 102 L HN 1.035 nan 8.230 nan 0.000 0.566 103 G N 0.486 109.310 108.800 0.040 0.000 2.479 103 G HA2 -0.276 3.685 3.960 0.002 0.000 0.220 103 G HA3 -0.276 3.685 3.960 0.002 0.000 0.220 103 G C 1.586 176.541 174.900 0.092 0.000 1.115 103 G CA 1.228 46.362 45.100 0.057 0.000 0.757 103 G HN 0.519 nan 8.290 nan 0.000 0.560 104 S N -0.413 115.342 115.700 0.092 0.000 2.558 104 S HA 0.306 4.777 4.470 0.002 0.000 0.217 104 S C 0.953 175.639 174.600 0.143 0.000 0.975 104 S CA -0.483 57.797 58.200 0.133 0.000 0.912 104 S CB -0.027 63.233 63.200 0.100 0.000 0.776 104 S HN 0.059 nan 8.310 nan 0.000 0.526 105 L N 2.430 123.714 121.223 0.102 0.000 2.453 105 L HA 0.153 4.494 4.340 0.002 0.000 0.272 105 L C 1.541 178.486 176.870 0.124 0.000 1.182 105 L CA 0.080 54.974 54.840 0.091 0.000 0.858 105 L CB 0.938 43.029 42.059 0.054 0.000 1.120 105 L HN 0.139 nan 8.230 nan 0.000 0.474 106 V N 4.715 124.709 119.914 0.134 0.000 2.407 106 V HA -0.076 4.045 4.120 0.002 0.000 0.245 106 V C 0.843 176.963 176.094 0.044 0.000 1.041 106 V CA 1.190 63.592 62.300 0.170 0.000 1.040 106 V CB -0.060 31.871 31.823 0.180 0.000 0.671 106 V HN 0.523 nan 8.190 nan 0.000 0.455 107 L N -0.637 120.576 121.223 -0.017 0.000 2.323 107 L HA 0.537 4.878 4.340 0.002 0.000 0.265 107 L C -2.523 174.349 176.870 0.002 0.000 1.012 107 L CA -1.895 52.906 54.840 -0.065 0.000 0.820 107 L CB 1.194 43.151 42.059 -0.169 0.000 1.334 107 L HN -0.001 nan 8.230 nan 0.000 0.427 108 P HA 0.274 nan 4.420 nan 0.000 0.277 108 P C -0.090 177.213 177.300 0.005 0.000 1.271 108 P CA -0.701 62.416 63.100 0.029 0.000 0.795 108 P CB 0.852 32.582 31.700 0.049 0.000 1.101 109 R N 0.746 121.249 120.500 0.004 0.000 2.100 109 R HA 0.083 4.424 4.340 0.002 0.000 0.220 109 R C 0.719 177.014 176.300 -0.008 0.000 1.091 109 R CA 1.746 57.843 56.100 -0.005 0.000 0.986 109 R CB 0.096 30.395 30.300 -0.002 0.000 0.888 109 R HN 0.385 nan 8.270 nan 0.000 0.444 110 K N -1.437 118.962 120.400 -0.002 0.000 2.614 110 K HA 0.127 4.449 4.320 0.002 0.000 0.192 110 K C 0.513 177.115 176.600 0.004 0.000 1.398 110 K CA -0.030 56.255 56.287 -0.004 0.000 1.074 110 K CB 0.446 32.941 32.500 -0.008 0.000 1.182 110 K HN -0.079 nan 8.250 nan 0.000 0.604 111 L N 2.068 123.300 121.223 0.014 0.000 2.351 111 L HA -0.177 4.164 4.340 0.002 0.000 0.220 111 L C 2.027 178.911 176.870 0.022 0.000 1.127 111 L CA 1.593 56.444 54.840 0.018 0.000 0.786 111 L CB -0.749 41.326 42.059 0.027 0.000 0.914 111 L HN 0.253 nan 8.230 nan 0.000 0.443 112 Q N 0.199 120.017 119.800 0.030 0.000 0.581 112 Q HA -0.211 4.130 4.340 0.002 0.000 0.894 112 Q C -0.108 175.902 176.000 0.016 0.000 0.862 112 Q CA 2.289 58.114 55.803 0.036 0.000 0.873 112 Q CB -0.120 28.625 28.738 0.011 0.000 0.915 112 Q HN 0.336 nan 8.270 nan 0.000 0.164 113 T N 0.468 115.022 114.554 -0.001 0.000 3.706 113 T HA 0.223 4.574 4.350 0.002 0.000 0.292 113 T C -1.160 173.526 174.700 -0.023 0.000 0.693 113 T CA -0.668 61.425 62.100 -0.012 0.000 1.126 113 T CB 0.519 69.382 68.868 -0.010 0.000 1.043 113 T HN 0.268 nan 8.240 nan 0.000 0.501 114 R N 1.863 122.349 120.500 -0.024 0.000 2.924 114 R HA 0.160 4.502 4.340 0.002 0.000 0.272 114 R C -2.056 174.227 176.300 -0.029 0.000 1.012 114 R CA -0.925 55.158 56.100 -0.028 0.000 1.171 114 R CB -0.280 30.006 30.300 -0.022 0.000 1.086 114 R HN 0.306 nan 8.270 nan 0.000 0.489 115 P HA -0.081 nan 4.420 nan 0.000 0.271 115 P C -0.185 177.101 177.300 -0.023 0.000 1.228 115 P CA 0.439 63.523 63.100 -0.025 0.000 0.797 115 P CB 0.427 32.114 31.700 -0.021 0.000 0.914 116 S N 0.445 116.133 115.700 -0.021 0.000 2.617 116 S HA 0.279 4.750 4.470 0.002 0.000 0.237 116 S C -1.720 172.871 174.600 -0.014 0.000 1.142 116 S CA -1.109 57.078 58.200 -0.023 0.000 1.167 116 S CB -0.264 62.917 63.200 -0.031 0.000 1.068 116 S HN 0.294 nan 8.310 nan 0.000 0.470 117 P HA 0.243 nan 4.420 nan 0.000 0.230 117 P C 0.803 178.101 177.300 -0.003 0.000 1.168 117 P CA 0.454 63.551 63.100 -0.004 0.000 0.793 117 P CB 0.088 31.787 31.700 -0.003 0.000 0.851 118 G N 1.139 109.936 108.800 -0.006 0.000 2.473 118 G HA2 0.543 4.504 3.960 0.002 0.000 0.321 118 G HA3 0.543 4.504 3.960 0.002 0.000 0.321 118 G C -2.961 171.934 174.900 -0.007 0.000 1.200 118 G CA -1.760 43.338 45.100 -0.004 0.000 0.963 118 G HN -0.132 nan 8.290 nan 0.000 0.483 119 P HA 0.232 nan 4.420 nan 0.000 0.276 119 P C -2.398 174.900 177.300 -0.004 0.000 1.235 119 P CA -0.955 62.142 63.100 -0.004 0.000 0.772 119 P CB 1.008 32.711 31.700 0.005 0.000 0.871 120 P HA 0.220 nan 4.420 nan 0.000 0.271 120 P C -2.474 174.830 177.300 0.005 0.000 1.216 120 P CA -1.462 61.634 63.100 -0.006 0.000 0.776 120 P CB -0.922 30.770 31.700 -0.013 0.000 0.881 121 P HA -0.049 nan 4.420 nan 0.000 0.258 121 P C 0.990 178.299 177.300 0.015 0.000 1.172 121 P CA 0.376 63.481 63.100 0.009 0.000 0.762 121 P CB 0.116 31.820 31.700 0.007 0.000 0.764 122 A N 4.687 127.516 122.820 0.016 0.000 1.917 122 A HA -0.246 4.075 4.320 0.002 0.000 0.219 122 A C 2.046 179.639 177.584 0.016 0.000 1.182 122 A CA 1.458 53.507 52.037 0.019 0.000 0.633 122 A CB -0.684 18.326 19.000 0.017 0.000 0.819 122 A HN 0.496 nan 8.150 nan 0.000 0.448 123 E N -0.705 119.502 120.200 0.012 0.000 2.038 123 E HA -0.255 4.097 4.350 0.002 0.000 0.195 123 E C 2.207 178.815 176.600 0.013 0.000 1.000 123 E CA 1.798 58.203 56.400 0.009 0.000 0.803 123 E CB -0.377 29.327 29.700 0.007 0.000 0.750 123 E HN 0.821 nan 8.360 nan 0.000 0.448 124 Q N 0.702 120.512 119.800 0.016 0.000 2.046 124 Q HA -0.141 4.200 4.340 0.002 0.000 0.200 124 Q C 2.228 178.246 176.000 0.031 0.000 0.975 124 Q CA 1.167 56.982 55.803 0.020 0.000 0.836 124 Q CB -0.364 28.383 28.738 0.016 0.000 0.896 124 Q HN 0.204 nan 8.270 nan 0.000 0.428 125 L N -0.154 121.091 121.223 0.036 0.000 2.046 125 L HA -0.110 4.232 4.340 0.002 0.000 0.208 125 L C 2.039 178.945 176.870 0.060 0.000 1.077 125 L CA 1.549 56.427 54.840 0.063 0.000 0.747 125 L CB -0.811 41.294 42.059 0.075 0.000 0.896 125 L HN 0.437 nan 8.230 nan 0.000 0.432 126 L N -0.569 120.670 121.223 0.026 0.000 2.079 126 L HA -0.200 4.141 4.340 0.002 0.000 0.210 126 L C 2.752 179.624 176.870 0.004 0.000 1.081 126 L CA 2.113 56.947 54.840 -0.009 0.000 0.752 126 L CB -0.775 41.276 42.059 -0.012 0.000 0.896 126 L HN 0.625 nan 8.230 nan 0.000 0.433 127 S N -2.109 113.605 115.700 0.024 0.000 2.387 127 S HA -0.188 4.283 4.470 0.002 0.000 0.226 127 S C 1.858 176.497 174.600 0.064 0.000 1.026 127 S CA 0.802 59.023 58.200 0.035 0.000 0.972 127 S CB -0.517 62.702 63.200 0.031 0.000 0.814 127 S HN 0.582 nan 8.310 nan 0.000 0.477 128 Q N 1.218 121.063 119.800 0.076 0.000 2.079 128 Q HA 0.089 4.430 4.340 0.002 0.000 0.200 128 Q C 2.596 178.700 176.000 0.173 0.000 0.974 128 Q CA 1.330 57.200 55.803 0.111 0.000 0.840 128 Q CB -0.497 28.297 28.738 0.093 0.000 0.898 128 Q HN 0.747 nan 8.270 nan 0.000 0.430 129 A N 1.294 124.202 122.820 0.147 0.000 1.855 129 A HA -0.202 4.119 4.320 0.002 0.000 0.215 129 A C 2.042 179.713 177.584 0.146 0.000 1.191 129 A CA 1.408 53.536 52.037 0.152 0.000 0.613 129 A CB -0.533 18.354 19.000 -0.189 0.000 0.829 129 A HN 0.206 nan 8.150 nan 0.000 0.442 130 R N -0.228 120.309 120.500 0.063 0.000 2.083 130 R HA -0.242 4.099 4.340 0.002 0.000 0.237 130 R C 1.984 178.363 176.300 0.130 0.000 1.137 130 R CA 2.212 58.355 56.100 0.071 0.000 0.951 130 R CB -0.486 29.831 30.300 0.030 0.000 0.851 130 R HN 0.638 nan 8.270 nan 0.000 0.434 131 D N -0.514 119.970 120.400 0.140 0.000 2.116 131 D HA -0.245 4.396 4.640 0.002 0.000 0.193 131 D C 1.743 178.164 176.300 0.202 0.000 0.998 131 D CA 1.552 55.645 54.000 0.154 0.000 0.836 131 D CB -0.266 40.623 40.800 0.147 0.000 0.951 131 D HN 0.284 nan 8.370 nan 0.000 0.449 132 F N 0.736 120.778 119.950 0.153 0.000 2.134 132 F HA -0.081 4.447 4.527 0.002 0.000 0.299 132 F C 1.986 177.938 175.800 0.253 0.000 1.097 132 F CA 1.055 59.180 58.000 0.209 0.000 1.264 132 F CB -0.227 38.897 39.000 0.206 0.000 1.001 132 F HN 0.004 nan 8.300 nan 0.000 0.479 133 I N 0.902 121.492 120.570 0.033 0.000 2.286 133 I HA -0.300 3.871 4.170 0.002 0.000 0.248 133 I C 2.017 178.196 176.117 0.103 0.000 1.115 133 I CA 1.171 62.499 61.300 0.048 0.000 1.392 133 I CB -1.599 36.544 38.000 0.239 0.000 1.065 133 I HN 0.252 nan 8.210 nan 0.000 0.418 134 N N 0.916 119.701 118.700 0.142 0.000 2.120 134 N HA -0.186 4.555 4.740 0.002 0.000 0.188 134 N C 1.843 177.319 175.510 -0.057 0.000 1.024 134 N CA 1.106 54.235 53.050 0.131 0.000 0.852 134 N CB -0.316 38.269 38.487 0.162 0.000 1.003 134 N HN 0.501 nan 8.380 nan 0.000 0.424 135 Q N -0.415 119.354 119.800 -0.051 0.000 2.096 135 Q HA -0.200 4.141 4.340 0.002 0.000 0.204 135 Q C 1.832 177.623 176.000 -0.347 0.000 0.982 135 Q CA 1.417 57.194 55.803 -0.043 0.000 0.850 135 Q CB -0.269 28.574 28.738 0.175 0.000 0.901 135 Q HN 0.450 nan 8.270 nan 0.000 0.422 136 Y N -0.020 119.850 120.300 -0.717 0.000 2.089 136 Y HA -0.287 4.264 4.550 0.002 0.000 0.282 136 Y C 1.687 177.064 175.900 -0.872 0.000 1.139 136 Y CA 1.669 59.078 58.100 -1.150 0.000 1.123 136 Y CB -0.546 37.331 38.460 -0.971 0.000 0.980 136 Y HN 0.089 nan 8.280 nan 0.000 0.493 137 Y N -0.910 119.000 120.300 -0.650 0.000 2.574 137 Y HA -0.149 4.402 4.550 0.002 0.000 0.294 137 Y C 2.879 178.427 175.900 -0.587 0.000 1.142 137 Y CA 1.396 59.080 58.100 -0.694 0.000 1.314 137 Y CB -0.322 37.649 38.460 -0.816 0.000 0.991 137 Y HN 0.182 nan 8.280 nan 0.000 0.555 138 S N -0.930 114.530 115.700 -0.399 0.000 2.425 138 S HA -0.130 4.341 4.470 0.002 0.000 0.225 138 S C 2.286 176.710 174.600 -0.293 0.000 1.024 138 S CA 0.972 59.015 58.200 -0.262 0.000 0.951 138 S CB -0.412 62.692 63.200 -0.161 0.000 0.796 138 S HN 0.563 nan 8.310 nan 0.000 0.498 139 S N 2.009 117.422 115.700 -0.478 0.000 2.402 139 S HA -0.011 4.460 4.470 0.002 0.000 0.229 139 S C 1.537 175.901 174.600 -0.393 0.000 1.021 139 S CA 0.964 58.907 58.200 -0.427 0.000 0.974 139 S CB -0.829 61.937 63.200 -0.723 0.000 0.800 139 S HN 0.755 nan 8.310 nan 0.000 0.484 140 I N -2.474 117.777 120.570 -0.532 0.000 3.891 140 I HA 0.476 4.648 4.170 0.002 0.000 0.331 140 I C 0.308 176.280 176.117 -0.242 0.000 1.406 140 I CA -0.634 60.431 61.300 -0.392 0.000 1.139 140 I CB -0.492 37.195 38.000 -0.521 0.000 1.056 140 I HN -0.003 nan 8.210 nan 0.000 0.399 141 K N 1.102 121.377 120.400 -0.209 0.000 3.048 141 K HA -0.172 4.150 4.320 0.002 0.000 0.274 141 K C 0.499 177.045 176.600 -0.090 0.000 1.098 141 K CA 0.673 56.884 56.287 -0.127 0.000 0.807 141 K CB -0.855 31.591 32.500 -0.090 0.000 1.217 141 K HN 0.404 nan 8.250 nan 0.000 0.477 142 R N 0.401 120.848 120.500 -0.088 0.000 2.586 142 R HA 0.052 4.393 4.340 0.002 0.000 0.306 142 R C -0.086 176.210 176.300 -0.007 0.000 1.079 142 R CA 0.311 56.409 56.100 -0.002 0.000 1.083 142 R CB 0.300 30.657 30.300 0.096 0.000 1.306 142 R HN 0.313 nan 8.270 nan 0.000 0.567 143 S N -0.587 115.071 115.700 -0.070 0.000 2.509 143 S HA 0.352 4.823 4.470 0.002 0.000 0.287 143 S C 1.250 175.905 174.600 0.092 0.000 1.248 143 S CA 0.424 58.579 58.200 -0.074 0.000 1.089 143 S CB 1.042 64.198 63.200 -0.073 0.000 0.900 143 S HN 0.536 nan 8.310 nan 0.000 0.496 144 G N 2.473 111.461 108.800 0.314 0.000 2.238 144 G HA2 -0.280 3.681 3.960 0.002 0.000 0.217 144 G HA3 -0.280 3.681 3.960 0.002 0.000 0.217 144 G C 0.349 175.268 174.900 0.032 0.000 0.996 144 G CA -0.012 45.165 45.100 0.129 0.000 0.632 144 G HN 1.646 nan 8.290 nan 0.000 0.503 145 S N 0.075 115.790 115.700 0.025 0.000 2.598 145 S HA 0.426 4.897 4.470 0.002 0.000 0.256 145 S C 1.283 175.848 174.600 -0.058 0.000 1.350 145 S CA 0.719 58.909 58.200 -0.017 0.000 0.984 145 S CB 1.083 64.279 63.200 -0.006 0.000 0.930 145 S HN 0.172 nan 8.310 nan 0.000 0.577 146 Q N 0.466 120.236 119.800 -0.051 0.000 2.119 146 Q HA -0.020 4.321 4.340 0.002 0.000 0.201 146 Q C 2.567 178.512 176.000 -0.090 0.000 0.972 146 Q CA 1.810 57.574 55.803 -0.064 0.000 0.847 146 Q CB -1.261 27.456 28.738 -0.035 0.000 0.903 146 Q HN 0.908 nan 8.270 nan 0.000 0.433 147 A N -0.189 122.585 122.820 -0.077 0.000 1.940 147 A HA -0.235 4.087 4.320 0.002 0.000 0.219 147 A C 1.966 179.330 177.584 -0.366 0.000 1.176 147 A CA 1.819 53.809 52.037 -0.078 0.000 0.631 147 A CB -0.882 18.167 19.000 0.081 0.000 0.814 147 A HN 0.593 nan 8.150 nan 0.000 0.446 148 H N -1.409 117.194 119.070 -0.779 0.000 2.326 148 H HA -0.092 4.465 4.556 0.002 0.000 0.301 148 H C 2.075 177.098 175.328 -0.510 0.000 1.081 148 H CA 1.168 56.513 56.048 -1.172 0.000 1.334 148 H CB 0.120 29.428 29.762 -0.756 0.000 1.385 148 H HN 0.371 nan 8.280 nan 0.000 0.504 149 E N 0.852 120.850 120.200 -0.337 0.000 2.106 149 E HA -0.135 4.216 4.350 0.002 0.000 0.192 149 E C 2.039 178.539 176.600 -0.167 0.000 0.984 149 E CA 0.898 57.126 56.400 -0.286 0.000 0.806 149 E CB 0.011 29.587 29.700 -0.207 0.000 0.750 149 E HN 0.645 nan 8.360 nan 0.000 0.458 150 E N -0.036 120.092 120.200 -0.121 0.000 2.208 150 E HA -0.161 4.191 4.350 0.002 0.000 0.193 150 E C 2.068 178.657 176.600 -0.018 0.000 0.988 150 E CA 0.530 56.898 56.400 -0.054 0.000 0.828 150 E CB 0.086 29.770 29.700 -0.026 0.000 0.763 150 E HN -0.089 nan 8.360 nan 0.000 0.478 151 R N 0.980 121.473 120.500 -0.012 0.000 2.073 151 R HA -0.032 4.309 4.340 0.002 0.000 0.229 151 R C 2.001 178.328 176.300 0.045 0.000 1.120 151 R CA 1.020 57.171 56.100 0.085 0.000 0.967 151 R CB -0.473 29.978 30.300 0.251 0.000 0.862 151 R HN 0.123 nan 8.270 nan 0.000 0.436 152 L N 0.357 121.572 121.223 -0.013 0.000 2.042 152 L HA -0.238 4.103 4.340 0.002 0.000 0.210 152 L C 2.546 179.385 176.870 -0.052 0.000 1.076 152 L CA 1.754 56.568 54.840 -0.045 0.000 0.749 152 L CB -0.502 41.489 42.059 -0.115 0.000 0.893 152 L HN 0.339 nan 8.230 nan 0.000 0.432 153 Q N -0.234 119.537 119.800 -0.048 0.000 2.050 153 Q HA -0.224 4.118 4.340 0.002 0.000 0.202 153 Q C 2.160 178.152 176.000 -0.013 0.000 0.980 153 Q CA 1.592 57.375 55.803 -0.034 0.000 0.840 153 Q CB -0.114 28.606 28.738 -0.031 0.000 0.898 153 Q HN 0.535 nan 8.270 nan 0.000 0.424 154 E N -0.017 120.187 120.200 0.007 0.000 2.085 154 E HA -0.191 4.160 4.350 0.002 0.000 0.194 154 E C 2.115 178.731 176.600 0.026 0.000 0.994 154 E CA 1.470 57.891 56.400 0.034 0.000 0.801 154 E CB -0.052 29.688 29.700 0.066 0.000 0.743 154 E HN 0.140 nan 8.360 nan 0.000 0.453 155 V N 1.631 121.532 119.914 -0.022 0.000 2.307 155 V HA -0.249 3.872 4.120 0.002 0.000 0.245 155 V C 2.117 178.140 176.094 -0.119 0.000 1.045 155 V CA 1.886 64.102 62.300 -0.140 0.000 1.024 155 V CB -0.484 31.145 31.823 -0.323 0.000 0.651 155 V HN 0.240 nan 8.190 nan 0.000 0.449 156 E N 0.410 120.558 120.200 -0.086 0.000 2.058 156 E HA -0.239 4.112 4.350 0.002 0.000 0.194 156 E C 2.340 178.930 176.600 -0.018 0.000 0.997 156 E CA 1.410 57.777 56.400 -0.055 0.000 0.801 156 E CB -0.382 29.291 29.700 -0.045 0.000 0.746 156 E HN 0.589 nan 8.360 nan 0.000 0.450 157 A N 1.423 124.240 122.820 -0.004 0.000 1.908 157 A HA -0.277 4.044 4.320 0.002 0.000 0.218 157 A C 2.057 179.663 177.584 0.038 0.000 1.181 157 A CA 1.793 53.840 52.037 0.016 0.000 0.627 157 A CB -0.472 18.540 19.000 0.020 0.000 0.818 157 A HN 0.252 nan 8.150 nan 0.000 0.445 158 E N -0.488 119.746 120.200 0.058 0.000 2.072 158 E HA -0.093 4.258 4.350 0.002 0.000 0.190 158 E C 1.923 178.584 176.600 0.100 0.000 0.982 158 E CA 1.145 57.606 56.400 0.102 0.000 0.803 158 E CB -0.060 29.743 29.700 0.172 0.000 0.755 158 E HN 0.345 nan 8.360 nan 0.000 0.453 159 V N 1.219 121.179 119.914 0.077 0.000 2.295 159 V HA -0.268 3.853 4.120 0.002 0.000 0.246 159 V C 2.437 178.560 176.094 0.048 0.000 1.049 159 V CA 1.840 64.184 62.300 0.073 0.000 1.024 159 V CB -0.804 31.040 31.823 0.035 0.000 0.648 159 V HN 0.407 nan 8.190 nan 0.000 0.447 160 A N -0.428 122.410 122.820 0.031 0.000 1.940 160 A HA -0.217 4.104 4.320 0.002 0.000 0.219 160 A C 2.451 180.053 177.584 0.030 0.000 1.176 160 A CA 2.483 54.534 52.037 0.024 0.000 0.631 160 A CB -0.562 18.447 19.000 0.015 0.000 0.814 160 A HN 0.532 nan 8.150 nan 0.000 0.446 161 S N -1.303 114.420 115.700 0.039 0.000 2.388 161 S HA -0.048 4.424 4.470 0.002 0.000 0.223 161 S C 1.972 176.600 174.600 0.047 0.000 1.034 161 S CA 1.563 59.787 58.200 0.040 0.000 0.963 161 S CB -0.137 63.089 63.200 0.043 0.000 0.827 161 S HN 0.884 nan 8.310 nan 0.000 0.481 162 T N -2.370 112.220 114.554 0.061 0.000 3.010 162 T HA 0.449 4.800 4.350 0.002 0.000 0.257 162 T C 1.382 176.115 174.700 0.056 0.000 1.020 162 T CA 0.798 62.937 62.100 0.065 0.000 0.938 162 T CB 0.479 69.402 68.868 0.092 0.000 1.049 162 T HN 0.517 nan 8.240 nan 0.000 0.522 163 G N 0.267 109.100 108.800 0.054 0.000 2.148 163 G HA2 -0.175 3.786 3.960 0.002 0.000 0.254 163 G HA3 -0.175 3.786 3.960 0.002 0.000 0.254 163 G C 0.166 175.096 174.900 0.051 0.000 0.981 163 G CA 0.594 45.720 45.100 0.044 0.000 0.670 163 G HN 1.070 nan 8.290 nan 0.000 0.528 164 T N -1.685 112.916 114.554 0.077 0.000 2.658 164 T HA 0.676 5.027 4.350 0.002 0.000 0.305 164 T C -1.230 173.575 174.700 0.175 0.000 1.551 164 T CA 0.423 62.567 62.100 0.073 0.000 0.985 164 T CB 1.252 70.079 68.868 -0.068 0.000 1.731 164 T HN 1.623 nan 8.240 nan 0.000 0.486 165 Y N -0.827 119.398 120.300 -0.125 0.000 2.764 165 Y HA 0.844 5.395 4.550 0.002 0.000 0.331 165 Y C -1.536 174.208 175.900 -0.260 0.000 1.280 165 Y CA -1.175 56.895 58.100 -0.049 0.000 1.065 165 Y CB 0.816 39.295 38.460 0.031 0.000 1.319 165 Y HN 0.798 nan 8.280 nan 0.000 0.453 166 H N 0.282 119.362 119.070 0.016 0.000 2.797 166 H HA 0.697 5.254 4.556 0.002 0.000 0.372 166 H C -1.175 174.191 175.328 0.063 0.000 1.168 166 H CA -0.860 55.142 56.048 -0.076 0.000 1.163 166 H CB 2.055 31.826 29.762 0.015 0.000 1.778 166 H HN 0.698 nan 8.280 nan 0.000 0.551 167 L N 1.758 123.064 121.223 0.139 0.000 2.343 167 L HA 0.489 4.831 4.340 0.002 0.000 0.275 167 L C 0.354 177.294 176.870 0.117 0.000 1.056 167 L CA -1.042 53.894 54.840 0.160 0.000 0.804 167 L CB 0.826 42.940 42.059 0.093 0.000 1.203 167 L HN 0.377 nan 8.230 nan 0.000 0.440 168 R N 1.223 121.773 120.500 0.083 0.000 2.582 168 R HA 0.046 4.387 4.340 0.002 0.000 0.271 168 R C 0.887 177.180 176.300 -0.011 0.000 1.078 168 R CA -0.245 55.873 56.100 0.030 0.000 1.127 168 R CB 0.850 31.146 30.300 -0.006 0.000 1.038 168 R HN 0.688 nan 8.270 nan 0.000 0.500 169 E N 1.217 121.412 120.200 -0.009 0.000 2.097 169 E HA -0.232 4.119 4.350 0.002 0.000 0.196 169 E C 1.479 178.063 176.600 -0.025 0.000 1.000 169 E CA 2.148 58.534 56.400 -0.023 0.000 0.804 169 E CB 0.190 29.883 29.700 -0.012 0.000 0.740 169 E HN 0.683 nan 8.360 nan 0.000 0.454 170 S N 0.197 115.882 115.700 -0.025 0.000 2.382 170 S HA -0.194 4.277 4.470 0.002 0.000 0.228 170 S C 1.732 176.311 174.600 -0.034 0.000 1.027 170 S CA 1.316 59.523 58.200 0.012 0.000 0.991 170 S CB -0.318 62.921 63.200 0.065 0.000 0.823 170 S HN 0.327 nan 8.310 nan 0.000 0.469 171 E N 0.949 120.999 120.200 -0.250 0.000 2.106 171 E HA -0.024 4.327 4.350 0.002 0.000 0.192 171 E C 2.021 178.729 176.600 0.180 0.000 0.984 171 E CA 0.985 57.254 56.400 -0.219 0.000 0.806 171 E CB -0.326 29.262 29.700 -0.187 0.000 0.750 171 E HN 0.430 nan 8.360 nan 0.000 0.458 172 L N 0.778 122.018 121.223 0.028 0.000 2.046 172 L HA -0.161 4.180 4.340 0.002 0.000 0.208 172 L C 2.185 179.034 176.870 -0.035 0.000 1.077 172 L CA 1.344 56.139 54.840 -0.075 0.000 0.747 172 L CB -0.222 41.735 42.059 -0.170 0.000 0.896 172 L HN -0.053 nan 8.230 nan 0.000 0.432 173 V N -0.527 119.402 119.914 0.026 0.000 2.295 173 V HA -0.303 3.818 4.120 0.002 0.000 0.246 173 V C 2.314 178.503 176.094 0.159 0.000 1.049 173 V CA 2.097 64.430 62.300 0.054 0.000 1.024 173 V CB -0.951 30.909 31.823 0.062 0.000 0.648 173 V HN 0.568 nan 8.190 nan 0.000 0.447 174 F N 2.159 122.199 119.950 0.151 0.000 2.134 174 F HA -0.027 4.501 4.527 0.002 0.000 0.299 174 F C 2.164 178.116 175.800 0.255 0.000 1.097 174 F CA 1.671 59.816 58.000 0.242 0.000 1.264 174 F CB -0.955 38.267 39.000 0.369 0.000 1.001 174 F HN 0.120 nan 8.300 nan 0.000 0.479 175 G N -0.169 108.706 108.800 0.126 0.000 2.418 175 G HA2 -0.206 3.755 3.960 0.002 0.000 0.217 175 G HA3 -0.206 3.755 3.960 0.002 0.000 0.217 175 G C 1.842 176.617 174.900 -0.208 0.000 1.158 175 G CA 0.890 45.947 45.100 -0.070 0.000 0.771 175 G HN 0.645 nan 8.290 nan 0.000 0.545 176 A N 0.929 123.661 122.820 -0.147 0.000 1.877 176 A HA -0.037 4.284 4.320 0.002 0.000 0.216 176 A C 2.312 179.900 177.584 0.007 0.000 1.186 176 A CA 2.045 54.007 52.037 -0.126 0.000 0.620 176 A CB -0.387 18.570 19.000 -0.072 0.000 0.822 176 A HN 0.383 nan 8.150 nan 0.000 0.443 177 K N -1.137 119.309 120.400 0.077 0.000 2.057 177 K HA -0.189 4.132 4.320 0.002 0.000 0.207 177 K C 2.369 179.061 176.600 0.154 0.000 1.049 177 K CA 1.623 58.070 56.287 0.267 0.000 0.931 177 K CB -0.128 32.572 32.500 0.332 0.000 0.714 177 K HN 0.478 nan 8.250 nan 0.000 0.440 178 Q N 0.666 120.364 119.800 -0.170 0.000 2.119 178 Q HA -0.063 4.278 4.340 0.002 0.000 0.201 178 Q C 1.863 177.716 176.000 -0.245 0.000 0.972 178 Q CA 1.602 57.195 55.803 -0.350 0.000 0.847 178 Q CB -0.166 28.228 28.738 -0.573 0.000 0.903 178 Q HN 0.328 nan 8.270 nan 0.000 0.433 179 A N -0.418 122.260 122.820 -0.236 0.000 1.908 179 A HA -0.201 4.120 4.320 0.002 0.000 0.218 179 A C 1.829 179.407 177.584 -0.010 0.000 1.181 179 A CA 1.562 53.402 52.037 -0.328 0.000 0.627 179 A CB -1.252 17.241 19.000 -0.844 0.000 0.818 179 A HN 0.728 nan 8.150 nan 0.000 0.445 180 W N 0.916 122.214 121.300 -0.004 0.000 2.379 180 W HA -0.126 4.535 4.660 0.002 0.000 0.307 180 W C 2.347 178.835 176.519 -0.052 0.000 1.200 180 W CA 1.518 58.921 57.345 0.095 0.000 1.297 180 W CB -0.756 28.764 29.460 0.100 0.000 1.140 180 W HN 0.375 nan 8.180 nan 0.000 0.507 181 R N 0.390 120.810 120.500 -0.133 0.000 2.117 181 R HA -0.210 4.131 4.340 0.002 0.000 0.243 181 R C 1.552 177.678 176.300 -0.291 0.000 1.143 181 R CA 1.969 57.755 56.100 -0.523 0.000 0.968 181 R CB -0.574 29.090 30.300 -1.060 0.000 0.863 181 R HN 0.118 nan 8.270 nan 0.000 0.444 182 N N 0.246 118.836 118.700 -0.184 0.000 2.412 182 N HA 0.023 4.765 4.740 0.002 0.000 0.184 182 N C -0.301 175.160 175.510 -0.082 0.000 1.101 182 N CA 0.695 53.662 53.050 -0.138 0.000 0.881 182 N CB 0.379 38.785 38.487 -0.136 0.000 0.969 182 N HN 0.181 nan 8.380 nan 0.000 0.459 183 A N 2.283 125.106 122.820 0.004 0.000 2.489 183 A HA 0.197 4.518 4.320 0.002 0.000 0.289 183 A C -1.204 176.366 177.584 -0.024 0.000 1.216 183 A CA -0.889 51.156 52.037 0.012 0.000 0.883 183 A CB 0.205 19.268 19.000 0.105 0.000 1.110 183 A HN 0.021 nan 8.150 nan 0.000 0.523 184 P HA -0.150 nan 4.420 nan 0.000 0.218 184 P C 1.111 178.370 177.300 -0.068 0.000 1.148 184 P CA 1.235 64.280 63.100 -0.091 0.000 0.822 184 P CB 0.140 31.749 31.700 -0.153 0.000 0.784 185 R N -2.205 118.227 120.500 -0.115 0.000 2.317 185 R HA 0.137 4.478 4.340 0.002 0.000 0.208 185 R C 0.306 176.632 176.300 0.042 0.000 0.914 185 R CA -0.128 55.939 56.100 -0.056 0.000 1.060 185 R CB -0.436 29.675 30.300 -0.315 0.000 1.015 185 R HN 0.179 nan 8.270 nan 0.000 0.498 186 C N 0.630 119.937 119.300 0.012 0.000 2.303 186 C HA 0.208 4.669 4.460 0.002 0.000 0.341 186 C C 1.874 176.818 174.990 -0.077 0.000 1.244 186 C CA -0.645 58.400 59.018 0.045 0.000 1.765 186 C CB 0.463 28.312 27.740 0.181 0.000 2.379 186 C HN 0.281 nan 8.230 nan 0.000 0.530 187 V N 6.030 125.845 119.914 -0.165 0.000 3.406 187 V HA 0.208 4.330 4.120 0.002 0.000 0.263 187 V C 1.780 177.870 176.094 -0.007 0.000 1.172 187 V CA 2.065 64.139 62.300 -0.376 0.000 1.140 187 V CB -0.074 31.564 31.823 -0.308 0.000 0.784 187 V HN 1.065 nan 8.190 nan 0.000 0.467 188 G N -0.658 108.192 108.800 0.084 0.000 3.371 188 G HA2 0.047 4.008 3.960 0.002 0.000 0.248 188 G HA3 0.047 4.008 3.960 0.002 0.000 0.248 188 G C 1.210 176.164 174.900 0.090 0.000 1.161 188 G CA -0.344 44.836 45.100 0.134 0.000 0.796 188 G HN 0.430 nan 8.290 nan 0.000 0.539 189 R N -0.211 120.249 120.500 -0.065 0.000 2.377 189 R HA 0.072 4.413 4.340 0.002 0.000 0.207 189 R C 1.969 177.847 176.300 -0.703 0.000 1.075 189 R CA 0.209 55.962 56.100 -0.578 0.000 1.035 189 R CB -0.178 29.747 30.300 -0.626 0.000 0.857 189 R HN 0.468 nan 8.270 nan 0.000 0.475 190 I N 0.735 121.094 120.570 -0.352 0.000 2.614 190 I HA -0.229 3.942 4.170 0.002 0.000 0.258 190 I C 1.354 177.402 176.117 -0.114 0.000 1.189 190 I CA 1.249 62.485 61.300 -0.108 0.000 1.462 190 I CB 0.192 38.229 38.000 0.062 0.000 1.092 190 I HN 0.156 nan 8.210 nan 0.000 0.442 191 Q N 0.476 120.159 119.800 -0.196 0.000 2.360 191 Q HA -0.086 4.255 4.340 0.002 0.000 0.202 191 Q C 1.551 177.217 176.000 -0.557 0.000 0.915 191 Q CA 0.271 55.971 55.803 -0.172 0.000 0.943 191 Q CB -0.204 28.604 28.738 0.116 0.000 1.064 191 Q HN 0.796 nan 8.270 nan 0.000 0.511 192 W N 0.108 120.737 121.300 -1.117 0.000 2.341 192 W HA -0.124 4.537 4.660 0.002 0.000 0.283 192 W C 0.982 177.251 176.519 -0.416 0.000 1.215 192 W CA 1.201 57.744 57.345 -1.337 0.000 1.211 192 W CB -0.988 27.848 29.460 -1.039 0.000 1.131 192 W HN 0.074 nan 8.180 nan 0.000 0.552 193 G N 1.015 109.190 108.800 -1.042 0.000 2.880 193 G HA2 -0.104 3.857 3.960 0.002 0.000 0.209 193 G HA3 -0.104 3.857 3.960 0.002 0.000 0.209 193 G C 0.625 175.336 174.900 -0.316 0.000 1.157 193 G CA -0.231 44.324 45.100 -0.909 0.000 0.779 193 G HN 0.218 nan 8.290 nan 0.000 0.539 194 K N 0.383 120.705 120.400 -0.129 0.000 2.419 194 K HA 0.536 4.857 4.320 0.002 0.000 0.244 194 K C -1.696 175.022 176.600 0.197 0.000 1.045 194 K CA -0.688 55.622 56.287 0.038 0.000 1.004 194 K CB 0.462 33.005 32.500 0.072 0.000 1.376 194 K HN 0.066 nan 8.250 nan 0.000 0.460 195 L N 3.170 124.479 121.223 0.144 0.000 2.476 195 L HA 0.311 4.652 4.340 0.002 0.000 0.269 195 L C -1.355 175.496 176.870 -0.032 0.000 0.965 195 L CA -0.388 54.530 54.840 0.130 0.000 0.845 195 L CB 1.936 44.143 42.059 0.247 0.000 1.259 195 L HN 0.471 nan 8.230 nan 0.000 0.403 196 Q N 3.353 123.071 119.800 -0.137 0.000 2.307 196 Q HA 0.475 4.816 4.340 0.002 0.000 0.259 196 Q C -1.502 174.127 176.000 -0.619 0.000 0.998 196 Q CA 0.019 55.563 55.803 -0.432 0.000 0.923 196 Q CB 1.062 29.402 28.738 -0.663 0.000 1.196 196 Q HN 0.527 nan 8.270 nan 0.000 0.416 197 V N 6.460 126.056 119.914 -0.530 0.000 2.350 197 V HA 0.358 4.479 4.120 0.002 0.000 0.276 197 V C -0.652 175.141 176.094 -0.502 0.000 1.028 197 V CA -0.526 61.522 62.300 -0.421 0.000 0.860 197 V CB 0.156 31.854 31.823 -0.209 0.000 0.990 197 V HN 0.622 nan 8.190 nan 0.000 0.453 198 F N 2.799 122.638 119.950 -0.184 0.000 2.391 198 F HA 0.355 4.883 4.527 0.002 0.000 0.359 198 F C 0.561 176.221 175.800 -0.233 0.000 1.122 198 F CA -1.149 56.741 58.000 -0.183 0.000 1.120 198 F CB 0.890 39.794 39.000 -0.159 0.000 1.142 198 F HN 0.425 nan 8.300 nan 0.000 0.483 199 D N 3.190 123.581 120.400 -0.015 0.000 2.352 199 D HA 0.359 5.000 4.640 0.002 0.000 0.245 199 D C 0.231 176.401 176.300 -0.217 0.000 1.224 199 D CA 0.120 54.041 54.000 -0.133 0.000 0.879 199 D CB 1.114 41.870 40.800 -0.073 0.000 1.057 199 D HN 0.614 nan 8.370 nan 0.000 0.491 200 A N 4.571 127.083 122.820 -0.513 0.000 2.574 200 A HA 0.145 4.466 4.320 0.002 0.000 0.283 200 A C 1.635 178.907 177.584 -0.521 0.000 1.270 200 A CA -0.373 51.080 52.037 -0.973 0.000 0.945 200 A CB 0.051 17.931 19.000 -1.866 0.000 1.127 200 A HN 0.555 nan 8.150 nan 0.000 0.522 201 R N 0.995 121.332 120.500 -0.272 0.000 2.341 201 R HA -0.079 4.262 4.340 0.002 0.000 0.213 201 R C -0.019 176.235 176.300 -0.077 0.000 1.082 201 R CA 1.167 57.184 56.100 -0.137 0.000 1.017 201 R CB -0.032 30.241 30.300 -0.045 0.000 0.860 201 R HN 0.629 nan 8.270 nan 0.000 0.473 202 D N -0.441 119.938 120.400 -0.034 0.000 2.894 202 D HA 0.002 4.643 4.640 0.002 0.000 0.248 202 D C -0.488 175.885 176.300 0.121 0.000 1.291 202 D CA -0.391 53.640 54.000 0.052 0.000 0.840 202 D CB -0.436 40.416 40.800 0.086 0.000 1.044 202 D HN -0.030 nan 8.370 nan 0.000 0.484 203 C N 1.049 120.387 119.300 0.064 0.000 2.341 203 C HA 0.617 5.078 4.460 0.002 0.000 0.338 203 C C 1.231 176.346 174.990 0.209 0.000 1.257 203 C CA -0.107 59.019 59.018 0.180 0.000 1.883 203 C CB 0.600 28.443 27.740 0.172 0.000 2.334 203 C HN 0.483 nan 8.230 nan 0.000 0.524 204 S N 2.181 118.054 115.700 0.288 0.000 2.900 204 S HA 0.350 4.821 4.470 0.002 0.000 0.253 204 S C -0.145 174.617 174.600 0.270 0.000 1.029 204 S CA 0.148 58.546 58.200 0.330 0.000 1.096 204 S CB -0.326 63.000 63.200 0.210 0.000 1.067 204 S HN 1.321 nan 8.310 nan 0.000 0.610 205 S N -0.471 115.389 115.700 0.267 0.000 2.565 205 S HA 0.798 5.269 4.470 0.002 0.000 0.269 205 S C 0.810 175.495 174.600 0.142 0.000 1.153 205 S CA -0.338 57.960 58.200 0.163 0.000 0.835 205 S CB 0.934 64.212 63.200 0.130 0.000 1.122 205 S HN 0.567 nan 8.310 nan 0.000 0.462 206 A N 1.100 123.976 122.820 0.094 0.000 1.902 206 A HA -0.094 4.227 4.320 0.002 0.000 0.217 206 A C 2.097 179.645 177.584 -0.060 0.000 1.181 206 A CA 1.738 53.805 52.037 0.050 0.000 0.623 206 A CB -0.991 18.112 19.000 0.172 0.000 0.818 206 A HN 0.764 nan 8.150 nan 0.000 0.443 207 Q N -0.007 119.852 119.800 0.099 0.000 2.135 207 Q HA -0.200 4.141 4.340 0.002 0.000 0.204 207 Q C 1.884 177.902 176.000 0.030 0.000 0.981 207 Q CA 2.016 57.862 55.803 0.071 0.000 0.856 207 Q CB -0.317 28.545 28.738 0.207 0.000 0.902 207 Q HN 0.819 nan 8.270 nan 0.000 0.425 208 E N -0.635 119.620 120.200 0.092 0.000 2.106 208 E HA -0.120 4.231 4.350 0.002 0.000 0.192 208 E C 2.139 178.889 176.600 0.250 0.000 0.984 208 E CA 0.798 57.290 56.400 0.154 0.000 0.806 208 E CB -0.106 29.735 29.700 0.235 0.000 0.750 208 E HN 0.374 nan 8.360 nan 0.000 0.458 209 M N 0.104 119.788 119.600 0.140 0.000 2.108 209 M HA -0.167 4.314 4.480 0.002 0.000 0.261 209 M C 2.184 178.540 176.300 0.094 0.000 1.066 209 M CA 1.478 56.798 55.300 0.035 0.000 1.107 209 M CB -0.335 32.024 32.600 -0.401 0.000 1.356 209 M HN 0.126 nan 8.290 nan 0.000 0.406 210 F N 0.773 120.526 119.950 -0.329 0.000 2.095 210 F HA -0.260 4.268 4.527 0.002 0.000 0.298 210 F C 2.296 177.999 175.800 -0.161 0.000 1.104 210 F CA 1.669 59.418 58.000 -0.418 0.000 1.232 210 F CB -0.120 38.313 39.000 -0.944 0.000 0.987 210 F HN 0.040 nan 8.300 nan 0.000 0.475 211 T N -0.375 114.055 114.554 -0.207 0.000 2.708 211 T HA -0.239 4.112 4.350 0.002 0.000 0.266 211 T C 1.526 176.085 174.700 -0.235 0.000 1.037 211 T CA 1.866 63.788 62.100 -0.298 0.000 1.146 211 T CB -0.712 68.023 68.868 -0.221 0.000 0.865 211 T HN 0.354 nan 8.240 nan 0.000 0.435 212 Y N 0.910 121.170 120.300 -0.068 0.000 2.128 212 Y HA -0.070 4.481 4.550 0.002 0.000 0.284 212 Y C 2.322 178.184 175.900 -0.063 0.000 1.154 212 Y CA 0.974 59.045 58.100 -0.048 0.000 1.149 212 Y CB -0.332 38.206 38.460 0.131 0.000 0.976 212 Y HN 0.159 nan 8.280 nan 0.000 0.505 213 I N -1.381 119.300 120.570 0.184 0.000 2.286 213 I HA -0.367 3.804 4.170 0.002 0.000 0.248 213 I C 2.201 178.283 176.117 -0.058 0.000 1.115 213 I CA 0.984 62.329 61.300 0.076 0.000 1.392 213 I CB -0.475 37.571 38.000 0.077 0.000 1.065 213 I HN 0.348 nan 8.210 nan 0.000 0.418 214 C N 0.733 119.889 119.300 -0.240 0.000 2.435 214 C HA -0.098 4.364 4.460 0.002 0.000 0.279 214 C C 2.556 177.451 174.990 -0.157 0.000 1.321 214 C CA 0.619 59.475 59.018 -0.270 0.000 1.752 214 C CB -1.401 26.046 27.740 -0.487 0.000 1.959 214 C HN 0.554 nan 8.230 nan 0.000 0.500 215 N N 0.144 118.737 118.700 -0.180 0.000 2.188 215 N HA -0.126 4.615 4.740 0.002 0.000 0.184 215 N C 1.428 176.828 175.510 -0.183 0.000 1.018 215 N CA 1.357 54.278 53.050 -0.215 0.000 0.858 215 N CB -0.750 37.531 38.487 -0.344 0.000 0.989 215 N HN 0.738 nan 8.380 nan 0.000 0.426 216 H N 0.806 119.735 119.070 -0.236 0.000 2.293 216 H HA 0.078 4.635 4.556 0.002 0.000 0.300 216 H C 2.136 177.510 175.328 0.076 0.000 1.082 216 H CA 1.618 57.620 56.048 -0.076 0.000 1.308 216 H CB -0.098 29.666 29.762 0.004 0.000 1.375 216 H HN 0.053 nan 8.280 nan 0.000 0.495 217 I N 0.452 121.182 120.570 0.267 0.000 2.163 217 I HA -0.297 3.874 4.170 0.002 0.000 0.243 217 I C 2.608 178.799 176.117 0.123 0.000 1.085 217 I CA 1.737 63.149 61.300 0.187 0.000 1.347 217 I CB -0.315 37.725 38.000 0.067 0.000 1.044 217 I HN 0.315 nan 8.210 nan 0.000 0.408 218 K N 0.395 120.835 120.400 0.066 0.000 2.026 218 K HA -0.270 4.051 4.320 0.002 0.000 0.208 218 K C 2.356 179.002 176.600 0.078 0.000 1.048 218 K CA 1.736 58.050 56.287 0.044 0.000 0.929 218 K CB -0.352 32.149 32.500 0.002 0.000 0.713 218 K HN 0.258 nan 8.250 nan 0.000 0.439 219 Y N 0.446 120.748 120.300 0.003 0.000 2.163 219 Y HA -0.110 4.441 4.550 0.002 0.000 0.288 219 Y C 1.937 177.881 175.900 0.073 0.000 1.136 219 Y CA 1.566 59.699 58.100 0.055 0.000 1.147 219 Y CB -0.477 38.066 38.460 0.139 0.000 0.987 219 Y HN 0.148 nan 8.280 nan 0.000 0.509 220 A N -0.552 122.421 122.820 0.254 0.000 1.873 220 A HA -0.155 4.167 4.320 0.002 0.000 0.215 220 A C 2.213 179.851 177.584 0.089 0.000 1.186 220 A CA 2.240 54.384 52.037 0.180 0.000 0.616 220 A CB -1.350 17.787 19.000 0.229 0.000 0.823 220 A HN 0.508 nan 8.150 nan 0.000 0.442 221 T N -0.405 114.203 114.554 0.090 0.000 2.674 221 T HA -0.163 4.189 4.350 0.002 0.000 0.265 221 T C 1.048 175.755 174.700 0.011 0.000 1.039 221 T CA 1.258 63.401 62.100 0.071 0.000 1.150 221 T CB -0.568 68.340 68.868 0.066 0.000 0.864 221 T HN 0.753 nan 8.240 nan 0.000 0.427 222 N N 0.618 119.293 118.700 -0.042 0.000 2.727 222 N HA -0.278 4.463 4.740 0.002 0.000 0.249 222 N C -0.547 174.933 175.510 -0.049 0.000 1.048 222 N CA 0.212 53.211 53.050 -0.085 0.000 0.714 222 N CB -0.579 37.819 38.487 -0.148 0.000 0.959 222 N HN 0.431 nan 8.380 nan 0.000 0.544 223 R N -2.439 118.045 120.500 -0.027 0.000 3.758 223 R HA -0.251 4.090 4.340 0.002 0.000 0.299 223 R C 1.211 177.495 176.300 -0.026 0.000 1.182 223 R CA 1.125 57.210 56.100 -0.024 0.000 0.809 223 R CB -2.107 28.174 30.300 -0.031 0.000 1.249 223 R HN 0.815 nan 8.270 nan 0.000 0.497 224 G N -0.248 108.544 108.800 -0.013 0.000 2.278 224 G HA2 -0.327 3.634 3.960 0.002 0.000 0.210 224 G HA3 -0.327 3.634 3.960 0.002 0.000 0.210 224 G C -0.042 174.848 174.900 -0.016 0.000 1.000 224 G CA 0.053 45.145 45.100 -0.012 0.000 0.635 224 G HN 0.465 nan 8.290 nan 0.000 0.495 225 N N 1.271 119.949 118.700 -0.037 0.000 3.229 225 N HA 0.439 5.180 4.740 0.002 0.000 0.275 225 N C 0.237 175.723 175.510 -0.040 0.000 1.225 225 N CA -0.700 52.311 53.050 -0.064 0.000 1.119 225 N CB -0.109 38.334 38.487 -0.075 0.000 1.392 225 N HN 0.150 nan 8.380 nan 0.000 0.520 226 L N 2.155 123.388 121.223 0.018 0.000 2.573 226 L HA -0.017 4.324 4.340 0.002 0.000 0.290 226 L C 0.667 177.668 176.870 0.219 0.000 1.247 226 L CA 1.174 56.102 54.840 0.147 0.000 0.876 226 L CB 0.123 42.368 42.059 0.311 0.000 1.123 226 L HN 0.375 nan 8.230 nan 0.000 0.505 227 R N 1.434 122.068 120.500 0.223 0.000 2.561 227 R HA 0.440 4.781 4.340 0.002 0.000 0.297 227 R C -0.649 175.823 176.300 0.288 0.000 0.969 227 R CA -0.698 55.557 56.100 0.259 0.000 0.879 227 R CB 1.724 32.044 30.300 0.033 0.000 1.178 227 R HN 0.562 nan 8.270 nan 0.000 0.445 228 S N 1.524 117.382 115.700 0.263 0.000 2.533 228 S HA 0.470 4.941 4.470 0.002 0.000 0.282 228 S C -0.262 174.369 174.600 0.051 0.000 1.304 228 S CA -0.196 58.041 58.200 0.061 0.000 1.063 228 S CB 1.180 64.343 63.200 -0.062 0.000 0.881 228 S HN 0.693 nan 8.310 nan 0.000 0.493 229 A N 2.850 125.661 122.820 -0.015 0.000 2.602 229 A HA 0.888 5.210 4.320 0.002 0.000 0.290 229 A C -1.269 176.346 177.584 0.051 0.000 1.114 229 A CA -0.699 51.270 52.037 -0.113 0.000 0.683 229 A CB 1.241 20.078 19.000 -0.271 0.000 1.281 229 A HN 0.795 nan 8.150 nan 0.000 0.416 230 I N -0.126 120.476 120.570 0.054 0.000 2.775 230 I HA 0.579 4.750 4.170 0.002 0.000 0.295 230 I C -1.409 174.832 176.117 0.206 0.000 1.287 230 I CA -0.072 61.382 61.300 0.256 0.000 1.029 230 I CB 2.413 40.501 38.000 0.146 0.000 1.282 230 I HN 0.613 nan 8.210 nan 0.000 0.426 231 T N 6.110 120.795 114.554 0.218 0.000 2.809 231 T HA 0.473 4.824 4.350 0.002 0.000 0.284 231 T C -0.832 173.667 174.700 -0.335 0.000 0.992 231 T CA -0.378 61.699 62.100 -0.038 0.000 0.957 231 T CB 1.636 70.444 68.868 -0.100 0.000 0.942 231 T HN 0.257 nan 8.240 nan 0.000 0.439 232 V N 5.020 124.673 119.914 -0.436 0.000 2.328 232 V HA 0.472 4.593 4.120 0.002 0.000 0.278 232 V C -0.418 175.361 176.094 -0.524 0.000 1.021 232 V CA -0.787 61.264 62.300 -0.416 0.000 0.838 232 V CB -0.080 31.477 31.823 -0.444 0.000 0.999 232 V HN 0.713 nan 8.190 nan 0.000 0.447 233 F N 5.134 124.990 119.950 -0.156 0.000 2.362 233 F HA 0.499 5.028 4.527 0.002 0.000 0.311 233 F C -1.802 173.884 175.800 -0.190 0.000 1.161 233 F CA -2.492 55.346 58.000 -0.270 0.000 1.085 233 F CB 0.178 39.029 39.000 -0.247 0.000 1.311 233 F HN 0.291 nan 8.300 nan 0.000 0.524 234 P HA -0.038 nan 4.420 nan 0.000 0.261 234 P C -0.930 176.387 177.300 0.030 0.000 1.173 234 P CA 0.003 62.996 63.100 -0.178 0.000 0.760 234 P CB 0.149 31.517 31.700 -0.552 0.000 0.783 235 Q N 3.939 123.756 119.800 0.028 0.000 2.524 235 Q HA 0.111 4.452 4.340 0.002 0.000 0.246 235 Q C -0.205 175.710 176.000 -0.142 0.000 1.063 235 Q CA -0.253 55.352 55.803 -0.330 0.000 0.945 235 Q CB 0.542 28.835 28.738 -0.741 0.000 1.292 235 Q HN 0.361 nan 8.270 nan 0.000 0.518 236 R N 0.171 120.553 120.500 -0.196 0.000 2.590 236 R HA 0.423 4.764 4.340 0.002 0.000 0.274 236 R C -0.660 175.584 176.300 -0.093 0.000 1.061 236 R CA 0.190 56.245 56.100 -0.074 0.000 1.081 236 R CB 0.619 30.865 30.300 -0.090 0.000 0.984 236 R HN 0.712 nan 8.270 nan 0.000 0.448 237 A N 4.364 127.171 122.820 -0.021 0.000 2.371 237 A HA 0.510 4.831 4.320 0.002 0.000 0.311 237 A C -2.455 175.121 177.584 -0.012 0.000 1.068 237 A CA -2.082 49.942 52.037 -0.020 0.000 0.744 237 A CB 1.433 20.451 19.000 0.030 0.000 1.239 237 A HN 0.380 nan 8.150 nan 0.000 0.435 238 P HA 0.299 nan 4.420 nan 0.000 0.263 238 P C 1.139 178.440 177.300 0.002 0.000 1.195 238 P CA 2.047 65.141 63.100 -0.010 0.000 0.762 238 P CB 0.804 32.498 31.700 -0.010 0.000 0.799 239 G N 3.134 111.935 108.800 0.002 0.000 2.399 239 G HA2 -0.215 3.746 3.960 0.002 0.000 0.216 239 G HA3 -0.215 3.746 3.960 0.002 0.000 0.216 239 G C 0.107 175.011 174.900 0.007 0.000 1.096 239 G CA 0.009 45.113 45.100 0.007 0.000 0.650 239 G HN 0.730 nan 8.290 nan 0.000 0.512 240 R N 0.943 121.449 120.500 0.010 0.000 2.674 240 R HA 0.709 5.050 4.340 0.002 0.000 0.266 240 R C 0.805 177.105 176.300 0.000 0.000 1.016 240 R CA -0.151 55.952 56.100 0.006 0.000 1.062 240 R CB 0.740 31.047 30.300 0.012 0.000 1.142 240 R HN 0.702 nan 8.270 nan 0.000 0.517 241 G N 0.359 109.150 108.800 -0.015 0.000 2.699 241 G HA2 0.109 4.070 3.960 0.002 0.000 0.246 241 G HA3 0.109 4.070 3.960 0.002 0.000 0.246 241 G C -0.791 174.097 174.900 -0.021 0.000 1.219 241 G CA -0.516 44.574 45.100 -0.017 0.000 0.866 241 G HN 0.625 nan 8.290 nan 0.000 0.572 242 D N -0.721 119.685 120.400 0.009 0.000 2.283 242 D HA 0.353 4.994 4.640 0.002 0.000 0.248 242 D C -0.254 176.074 176.300 0.045 0.000 1.072 242 D CA -0.013 54.027 54.000 0.067 0.000 0.929 242 D CB 1.086 41.935 40.800 0.082 0.000 1.182 242 D HN 0.085 nan 8.370 nan 0.000 0.433 243 F N 1.310 121.289 119.950 0.049 0.000 2.412 243 F HA 0.333 4.861 4.527 0.002 0.000 0.348 243 F C 1.037 176.870 175.800 0.055 0.000 1.102 243 F CA 0.087 58.104 58.000 0.028 0.000 1.196 243 F CB 0.676 39.685 39.000 0.015 0.000 1.144 243 F HN -0.182 nan 8.300 nan 0.000 0.541 244 R N 3.693 124.318 120.500 0.209 0.000 2.626 244 R HA 0.491 4.832 4.340 0.002 0.000 0.274 244 R C -1.384 175.065 176.300 0.248 0.000 1.031 244 R CA -0.800 55.441 56.100 0.235 0.000 0.898 244 R CB 2.204 32.677 30.300 0.289 0.000 1.222 244 R HN 0.616 nan 8.270 nan 0.000 0.455 245 I N 1.895 122.601 120.570 0.228 0.000 2.330 245 I HA 0.174 4.345 4.170 0.002 0.000 0.289 245 I C 0.494 176.822 176.117 0.353 0.000 1.001 245 I CA -0.435 60.990 61.300 0.209 0.000 1.193 245 I CB 1.209 39.277 38.000 0.113 0.000 1.345 245 I HN 0.529 nan 8.210 nan 0.000 0.461 246 W N 3.564 124.909 121.300 0.075 0.000 2.418 246 W HA -0.058 4.603 4.660 0.002 0.000 0.292 246 W C 0.966 177.593 176.519 0.179 0.000 1.213 246 W CA 0.109 57.569 57.345 0.192 0.000 1.283 246 W CB -0.744 28.801 29.460 0.141 0.000 1.119 246 W HN 0.403 nan 8.180 nan 0.000 0.542 247 N N 0.060 118.924 118.700 0.273 0.000 2.479 247 N HA 0.002 4.743 4.740 0.002 0.000 0.257 247 N C 1.313 176.887 175.510 0.107 0.000 1.232 247 N CA 0.873 54.004 53.050 0.135 0.000 0.920 247 N CB 0.730 39.233 38.487 0.027 0.000 1.105 247 N HN -0.091 nan 8.380 nan 0.000 0.444 248 S N 0.629 116.382 115.700 0.088 0.000 2.436 248 S HA -0.018 4.454 4.470 0.002 0.000 0.228 248 S C 0.349 174.947 174.600 -0.004 0.000 1.014 248 S CA 0.621 58.859 58.200 0.064 0.000 0.950 248 S CB 0.093 63.350 63.200 0.095 0.000 0.784 248 S HN 0.642 nan 8.310 nan 0.000 0.504 249 Q N -0.738 119.043 119.800 -0.031 0.000 2.456 249 Q HA 0.491 4.832 4.340 0.002 0.000 0.284 249 Q C 0.146 176.059 176.000 -0.144 0.000 1.061 249 Q CA -0.566 55.177 55.803 -0.100 0.000 0.799 249 Q CB 1.954 30.661 28.738 -0.053 0.000 1.445 249 Q HN 0.123 nan 8.270 nan 0.000 0.411 250 L N 0.185 121.297 121.223 -0.186 0.000 2.201 250 L HA 0.017 4.358 4.340 0.002 0.000 0.212 250 L C 0.366 177.084 176.870 -0.253 0.000 1.105 250 L CA 0.838 55.571 54.840 -0.177 0.000 0.775 250 L CB 0.152 42.109 42.059 -0.169 0.000 0.913 250 L HN 0.258 nan 8.230 nan 0.000 0.440 251 V N 0.894 120.553 119.914 -0.425 0.000 2.444 251 V HA 0.477 4.598 4.120 0.002 0.000 0.294 251 V C -0.260 175.343 176.094 -0.818 0.000 1.022 251 V CA -0.695 61.175 62.300 -0.716 0.000 0.850 251 V CB 1.697 32.839 31.823 -1.135 0.000 0.992 251 V HN 0.155 nan 8.190 nan 0.000 0.426 252 R N 2.860 123.021 120.500 -0.565 0.000 2.698 252 R HA 0.517 4.859 4.340 0.002 0.000 0.275 252 R C -1.831 174.293 176.300 -0.292 0.000 1.001 252 R CA -0.783 55.108 56.100 -0.349 0.000 0.896 252 R CB 2.517 32.725 30.300 -0.152 0.000 1.218 252 R HN 0.568 nan 8.270 nan 0.000 0.462 253 Y N 0.346 120.644 120.300 -0.002 0.000 2.323 253 Y HA 0.451 5.002 4.550 0.002 0.000 0.331 253 Y C 0.949 176.806 175.900 -0.071 0.000 1.092 253 Y CA -0.697 57.404 58.100 0.002 0.000 1.150 253 Y CB 1.298 39.818 38.460 0.099 0.000 1.200 253 Y HN 0.698 nan 8.280 nan 0.000 0.472 254 A N 1.644 124.482 122.820 0.030 0.000 2.448 254 A HA 0.518 4.840 4.320 0.002 0.000 0.239 254 A C 0.644 177.992 177.584 -0.393 0.000 1.080 254 A CA 0.354 52.245 52.037 -0.243 0.000 0.779 254 A CB -0.280 18.492 19.000 -0.381 0.000 1.026 254 A HN 0.983 nan 8.150 nan 0.000 0.499 255 G N 0.579 109.127 108.800 -0.420 0.000 2.990 255 G HA2 0.520 4.481 3.960 0.002 0.000 0.300 255 G HA3 0.520 4.481 3.960 0.002 0.000 0.300 255 G C -0.931 173.827 174.900 -0.238 0.000 1.498 255 G CA -0.296 44.621 45.100 -0.305 0.000 1.074 255 G HN 0.564 nan 8.290 nan 0.000 0.542 256 Y N 1.825 122.143 120.300 0.029 0.000 2.452 256 Y HA 0.331 4.882 4.550 0.002 0.000 0.348 256 Y C 1.179 177.083 175.900 0.007 0.000 0.985 256 Y CA -0.866 57.251 58.100 0.029 0.000 1.214 256 Y CB 0.935 39.409 38.460 0.024 0.000 1.136 256 Y HN 0.388 nan 8.280 nan 0.000 0.523 257 R N 3.825 124.413 120.500 0.147 0.000 2.347 257 R HA 0.116 4.457 4.340 0.002 0.000 0.304 257 R C -0.282 176.063 176.300 0.076 0.000 1.072 257 R CA -0.390 55.760 56.100 0.083 0.000 0.980 257 R CB 0.532 30.868 30.300 0.061 0.000 0.986 257 R HN 0.682 nan 8.270 nan 0.000 0.448 258 Q N 2.115 121.947 119.800 0.053 0.000 2.162 258 Q HA -0.004 4.337 4.340 0.002 0.000 0.197 258 Q C 1.205 177.217 176.000 0.021 0.000 1.013 258 Q CA -0.530 55.293 55.803 0.033 0.000 1.040 258 Q CB 0.668 29.421 28.738 0.026 0.000 1.114 258 Q HN 0.709 nan 8.270 nan 0.000 0.547 259 Q N 1.303 121.110 119.800 0.011 0.000 1.978 259 Q HA -0.242 4.099 4.340 0.002 0.000 0.211 259 Q C 0.799 176.804 176.000 0.010 0.000 1.013 259 Q CA 2.355 58.162 55.803 0.007 0.000 0.869 259 Q CB -1.133 27.606 28.738 0.001 0.000 0.953 259 Q HN 0.808 nan 8.270 nan 0.000 0.415 260 D N -0.027 120.379 120.400 0.009 0.000 2.368 260 D HA 0.046 4.687 4.640 0.002 0.000 0.250 260 D C 1.153 177.461 176.300 0.013 0.000 1.142 260 D CA 1.034 55.039 54.000 0.010 0.000 0.925 260 D CB -0.512 40.293 40.800 0.008 0.000 0.896 260 D HN 0.655 nan 8.370 nan 0.000 0.525 261 G N 0.291 109.101 108.800 0.017 0.000 2.267 261 G HA2 -0.356 3.605 3.960 0.002 0.000 0.257 261 G HA3 -0.356 3.605 3.960 0.002 0.000 0.257 261 G C 0.577 175.489 174.900 0.020 0.000 0.998 261 G CA 0.655 45.766 45.100 0.019 0.000 0.620 261 G HN 0.828 nan 8.290 nan 0.000 0.529 262 S N -0.793 114.918 115.700 0.018 0.000 2.606 262 S HA 0.646 5.117 4.470 0.002 0.000 0.257 262 S C 0.159 174.769 174.600 0.016 0.000 1.327 262 S CA 0.213 58.421 58.200 0.015 0.000 0.984 262 S CB 2.103 65.311 63.200 0.012 0.000 0.941 262 S HN 1.204 nan 8.310 nan 0.000 0.576 263 V N 0.850 120.765 119.914 0.001 0.000 2.789 263 V HA 0.621 4.742 4.120 0.002 0.000 0.311 263 V C -0.300 175.778 176.094 -0.026 0.000 1.073 263 V CA -0.907 61.389 62.300 -0.007 0.000 0.921 263 V CB 1.948 33.749 31.823 -0.037 0.000 1.009 263 V HN 0.966 nan 8.190 nan 0.000 0.426 264 R N 2.303 122.810 120.500 0.012 0.000 2.343 264 R HA 0.744 5.085 4.340 0.002 0.000 0.320 264 R C 0.293 176.550 176.300 -0.072 0.000 0.956 264 R CA 0.959 57.070 56.100 0.019 0.000 0.836 264 R CB 0.952 31.341 30.300 0.148 0.000 1.151 264 R HN 1.322 nan 8.270 nan 0.000 0.450 265 G N 2.829 111.497 108.800 -0.219 0.000 2.443 265 G HA2 -0.210 3.751 3.960 0.002 0.000 0.209 265 G HA3 -0.210 3.751 3.960 0.002 0.000 0.209 265 G C -1.435 173.059 174.900 -0.676 0.000 1.176 265 G CA -0.128 44.756 45.100 -0.361 0.000 1.074 265 G HN 0.633 nan 8.290 nan 0.000 0.577 266 D N 1.732 121.872 120.400 -0.434 0.000 2.396 266 D HA 0.569 5.210 4.640 0.002 0.000 0.225 266 D C -1.053 175.140 176.300 -0.179 0.000 1.121 266 D CA -2.006 51.775 54.000 -0.365 0.000 0.853 266 D CB 1.449 42.353 40.800 0.174 0.000 1.043 266 D HN -0.015 nan 8.370 nan 0.000 0.500 267 P HA -0.115 nan 4.420 nan 0.000 0.220 267 P C 0.854 178.159 177.300 0.008 0.000 1.144 267 P CA 0.920 63.977 63.100 -0.071 0.000 0.800 267 P CB 0.280 31.948 31.700 -0.053 0.000 0.772 268 A N -0.686 122.158 122.820 0.040 0.000 2.119 268 A HA -0.093 4.228 4.320 0.002 0.000 0.217 268 A C 1.500 179.134 177.584 0.084 0.000 1.153 268 A CA 1.199 53.291 52.037 0.092 0.000 0.692 268 A CB -0.752 18.328 19.000 0.133 0.000 0.799 268 A HN 0.154 nan 8.150 nan 0.000 0.458 269 N N -0.340 118.390 118.700 0.050 0.000 2.275 269 N HA 0.157 4.898 4.740 0.002 0.000 0.236 269 N C 1.002 176.508 175.510 -0.007 0.000 1.154 269 N CA 0.119 53.187 53.050 0.029 0.000 0.866 269 N CB 0.730 39.229 38.487 0.021 0.000 1.093 269 N HN 0.182 nan 8.380 nan 0.000 0.515 270 V N 0.884 120.800 119.914 0.004 0.000 2.295 270 V HA -0.240 3.882 4.120 0.002 0.000 0.246 270 V C 2.442 178.544 176.094 0.014 0.000 1.049 270 V CA 1.829 64.132 62.300 0.005 0.000 1.024 270 V CB -0.274 31.562 31.823 0.021 0.000 0.648 270 V HN 0.369 nan 8.190 nan 0.000 0.447 271 E N -0.175 120.040 120.200 0.025 0.000 2.031 271 E HA -0.265 4.086 4.350 0.002 0.000 0.193 271 E C 2.117 178.657 176.600 -0.101 0.000 0.994 271 E CA 1.816 58.213 56.400 -0.005 0.000 0.800 271 E CB -0.217 29.529 29.700 0.076 0.000 0.752 271 E HN 0.476 nan 8.360 nan 0.000 0.447 272 I N 0.655 121.175 120.570 -0.084 0.000 2.394 272 I HA -0.202 3.969 4.170 0.002 0.000 0.251 272 I C 2.039 178.099 176.117 -0.095 0.000 1.136 272 I CA 1.491 62.708 61.300 -0.138 0.000 1.425 272 I CB -0.325 37.647 38.000 -0.048 0.000 1.079 272 I HN 0.110 nan 8.210 nan 0.000 0.425 273 T N 0.355 114.883 114.554 -0.044 0.000 2.746 273 T HA -0.163 4.188 4.350 0.002 0.000 0.267 273 T C 1.733 176.512 174.700 0.131 0.000 1.039 273 T CA 1.765 63.883 62.100 0.029 0.000 1.142 273 T CB -0.226 68.657 68.868 0.027 0.000 0.866 273 T HN 0.477 nan 8.240 nan 0.000 0.444 274 E N 0.736 120.981 120.200 0.075 0.000 2.072 274 E HA -0.031 4.320 4.350 0.002 0.000 0.191 274 E C 2.240 178.880 176.600 0.067 0.000 0.985 274 E CA 0.776 57.227 56.400 0.086 0.000 0.801 274 E CB -0.272 29.454 29.700 0.043 0.000 0.750 274 E HN 0.402 nan 8.360 nan 0.000 0.452 275 L N 0.460 121.673 121.223 -0.016 0.000 2.083 275 L HA -0.229 4.112 4.340 0.002 0.000 0.209 275 L C 2.577 179.509 176.870 0.103 0.000 1.083 275 L CA 0.738 55.583 54.840 0.008 0.000 0.752 275 L CB -0.386 41.569 42.059 -0.172 0.000 0.899 275 L HN 0.323 nan 8.230 nan 0.000 0.433 276 C N -0.024 119.302 119.300 0.043 0.000 2.432 276 C HA -0.146 4.315 4.460 0.002 0.000 0.277 276 C C 2.700 177.853 174.990 0.271 0.000 1.249 276 C CA 0.480 59.539 59.018 0.069 0.000 1.725 276 C CB -0.627 27.065 27.740 -0.081 0.000 2.028 276 C HN 0.431 nan 8.230 nan 0.000 0.477 277 I N 0.570 121.345 120.570 0.342 0.000 2.226 277 I HA -0.272 3.899 4.170 0.002 0.000 0.245 277 I C 2.731 178.934 176.117 0.143 0.000 1.100 277 I CA 1.625 63.089 61.300 0.272 0.000 1.374 277 I CB -0.813 37.307 38.000 0.200 0.000 1.057 277 I HN 0.478 nan 8.210 nan 0.000 0.413 278 Q N 0.719 120.595 119.800 0.127 0.000 2.181 278 Q HA -0.235 4.106 4.340 0.002 0.000 0.205 278 Q C 1.046 177.016 176.000 -0.050 0.000 0.980 278 Q CA 1.650 57.477 55.803 0.040 0.000 0.862 278 Q CB 0.007 28.780 28.738 0.059 0.000 0.905 278 Q HN 0.590 nan 8.270 nan 0.000 0.429 279 H N -1.727 117.329 119.070 -0.024 0.000 2.524 279 H HA 0.306 4.863 4.556 0.002 0.000 0.299 279 H C 0.504 175.805 175.328 -0.046 0.000 1.074 279 H CA 0.594 56.601 56.048 -0.068 0.000 1.115 279 H CB 0.799 30.474 29.762 -0.144 0.000 1.522 279 H HN 0.457 nan 8.280 nan 0.000 0.543 280 G N -0.365 108.474 108.800 0.066 0.000 2.176 280 G HA2 -0.265 3.696 3.960 0.002 0.000 0.232 280 G HA3 -0.265 3.696 3.960 0.002 0.000 0.232 280 G C 0.015 174.981 174.900 0.110 0.000 0.986 280 G CA -0.122 45.005 45.100 0.045 0.000 0.643 280 G HN 0.404 nan 8.290 nan 0.000 0.522 281 W N 2.404 123.684 121.300 -0.033 0.000 2.238 281 W HA 0.633 5.294 4.660 0.002 0.000 0.321 281 W C 0.249 176.761 176.519 -0.012 0.000 1.293 281 W CA 0.235 57.565 57.345 -0.027 0.000 1.204 281 W CB 0.820 30.274 29.460 -0.011 0.000 1.167 281 W HN 0.034 nan 8.180 nan 0.000 0.553 282 T N 9.704 123.930 114.554 -0.545 0.000 2.794 282 T HA 0.177 4.528 4.350 0.002 0.000 0.304 282 T C -1.926 172.005 174.700 -1.281 0.000 0.973 282 T CA -0.866 60.853 62.100 -0.635 0.000 0.972 282 T CB 0.194 68.866 68.868 -0.327 0.000 0.952 282 T HN 0.260 nan 8.240 nan 0.000 0.509 283 P HA 0.368 nan 4.420 nan 0.000 0.274 283 P C 0.330 177.209 177.300 -0.703 0.000 1.260 283 P CA -0.248 61.990 63.100 -1.438 0.000 0.793 283 P CB 0.927 32.144 31.700 -0.806 0.000 1.048 284 G N -0.033 108.513 108.800 -0.422 0.000 3.119 284 G HA2 0.392 4.353 3.960 0.002 0.000 0.206 284 G HA3 0.392 4.353 3.960 0.002 0.000 0.206 284 G C -0.167 174.482 174.900 -0.419 0.000 1.313 284 G CA -0.564 44.400 45.100 -0.227 0.000 1.010 284 G HN 0.701 nan 8.290 nan 0.000 0.578 285 N N -0.435 118.170 118.700 -0.158 0.000 2.545 285 N HA 0.249 4.990 4.740 0.002 0.000 0.283 285 N C 0.116 175.673 175.510 0.078 0.000 1.596 285 N CA -0.005 52.950 53.050 -0.157 0.000 0.862 285 N CB 0.815 39.205 38.487 -0.161 0.000 1.422 285 N HN 0.709 nan 8.380 nan 0.000 0.489 286 G N 0.125 109.063 108.800 0.230 0.000 2.597 286 G HA2 0.418 4.379 3.960 0.002 0.000 0.317 286 G HA3 0.418 4.379 3.960 0.002 0.000 0.317 286 G C 0.417 175.416 174.900 0.165 0.000 1.230 286 G CA -0.738 44.474 45.100 0.188 0.000 0.996 286 G HN 0.124 nan 8.290 nan 0.000 0.490 287 R N -1.028 119.485 120.500 0.020 0.000 2.246 287 R HA 0.131 4.472 4.340 0.002 0.000 0.199 287 R C -0.064 175.849 176.300 -0.645 0.000 0.984 287 R CA 0.669 56.608 56.100 -0.269 0.000 1.015 287 R CB 0.142 30.224 30.300 -0.362 0.000 0.930 287 R HN 0.410 nan 8.270 nan 0.000 0.475 288 F N 0.844 120.742 119.950 -0.088 0.000 2.761 288 F HA 0.247 4.775 4.527 0.002 0.000 0.367 288 F C -0.570 175.184 175.800 -0.076 0.000 1.386 288 F CA -0.978 56.726 58.000 -0.494 0.000 1.177 288 F CB 0.623 39.179 39.000 -0.739 0.000 1.092 288 F HN -0.278 nan 8.300 nan 0.000 0.517 289 D N 1.748 122.299 120.400 0.250 0.000 2.316 289 D HA 0.163 4.804 4.640 0.002 0.000 0.245 289 D C 0.227 176.764 176.300 0.395 0.000 1.171 289 D CA 0.166 54.380 54.000 0.357 0.000 0.856 289 D CB 2.153 43.221 40.800 0.446 0.000 1.090 289 D HN -0.069 nan 8.370 nan 0.000 0.476 290 V N 3.995 124.119 119.914 0.351 0.000 2.540 290 V HA -0.022 4.099 4.120 0.002 0.000 0.297 290 V C 1.071 177.175 176.094 0.017 0.000 1.024 290 V CA -0.130 62.269 62.300 0.164 0.000 1.105 290 V CB 0.146 32.025 31.823 0.094 0.000 0.938 290 V HN 0.330 nan 8.190 nan 0.000 0.482 291 L N 8.054 129.182 121.223 -0.159 0.000 2.466 291 L HA 0.389 4.730 4.340 0.002 0.000 0.257 291 L C -1.668 174.949 176.870 -0.421 0.000 1.189 291 L CA -1.377 53.199 54.840 -0.441 0.000 0.813 291 L CB 0.866 42.679 42.059 -0.410 0.000 1.118 291 L HN 0.491 nan 8.230 nan 0.000 0.471 292 P HA 0.308 nan 4.420 nan 0.000 0.281 292 P C -1.246 175.885 177.300 -0.282 0.000 1.281 292 P CA -0.584 62.274 63.100 -0.404 0.000 0.811 292 P CB 1.205 32.578 31.700 -0.545 0.000 1.154 293 L N 0.488 121.625 121.223 -0.143 0.000 2.309 293 L HA 0.420 4.761 4.340 0.002 0.000 0.282 293 L C 0.311 177.136 176.870 -0.074 0.000 1.036 293 L CA -0.805 53.993 54.840 -0.069 0.000 0.806 293 L CB 0.945 43.027 42.059 0.038 0.000 1.220 293 L HN 0.192 nan 8.230 nan 0.000 0.429 294 L N 5.069 126.227 121.223 -0.107 0.000 2.283 294 L HA 0.448 4.789 4.340 0.002 0.000 0.281 294 L C -0.686 176.069 176.870 -0.192 0.000 1.033 294 L CA -0.232 54.459 54.840 -0.248 0.000 0.848 294 L CB 0.800 42.604 42.059 -0.424 0.000 1.226 294 L HN 0.435 nan 8.230 nan 0.000 0.429 295 L N 3.682 124.855 121.223 -0.084 0.000 2.309 295 L HA 0.488 4.830 4.340 0.002 0.000 0.282 295 L C -0.156 176.640 176.870 -0.122 0.000 1.036 295 L CA -0.358 54.445 54.840 -0.060 0.000 0.806 295 L CB 1.665 43.695 42.059 -0.048 0.000 1.220 295 L HN 0.556 nan 8.230 nan 0.000 0.429 296 Q N 2.423 122.172 119.800 -0.084 0.000 2.327 296 Q HA 0.628 4.969 4.340 0.002 0.000 0.270 296 Q C -1.024 174.913 176.000 -0.105 0.000 1.022 296 Q CA -0.593 55.160 55.803 -0.083 0.000 0.773 296 Q CB 2.136 30.905 28.738 0.051 0.000 1.251 296 Q HN 0.796 nan 8.270 nan 0.000 0.457 297 A N 5.052 127.768 122.820 -0.174 0.000 2.286 297 A HA 0.624 4.945 4.320 0.002 0.000 0.286 297 A C -2.402 174.938 177.584 -0.406 0.000 1.097 297 A CA -1.533 50.265 52.037 -0.398 0.000 0.821 297 A CB 0.110 18.970 19.000 -0.232 0.000 1.076 297 A HN 0.601 nan 8.150 nan 0.000 0.490 298 P HA -0.006 nan 4.420 nan 0.000 0.261 298 P C -0.538 176.664 177.300 -0.164 0.000 1.173 298 P CA 0.769 63.657 63.100 -0.353 0.000 0.760 298 P CB 0.136 31.615 31.700 -0.369 0.000 0.783 299 D N -0.139 120.213 120.400 -0.081 0.000 2.860 299 D HA -0.195 4.446 4.640 0.002 0.000 0.229 299 D C 0.027 176.312 176.300 -0.025 0.000 1.169 299 D CA 1.366 55.348 54.000 -0.030 0.000 0.737 299 D CB -0.500 40.285 40.800 -0.025 0.000 1.080 299 D HN 0.468 nan 8.370 nan 0.000 0.424 300 E N -0.810 119.367 120.200 -0.037 0.000 2.336 300 E HA 0.681 5.032 4.350 0.002 0.000 0.267 300 E C -0.029 176.560 176.600 -0.017 0.000 0.906 300 E CA -0.804 55.577 56.400 -0.032 0.000 0.781 300 E CB 1.722 31.387 29.700 -0.059 0.000 1.261 300 E HN 0.105 nan 8.360 nan 0.000 0.436 301 A N 2.800 125.609 122.820 -0.017 0.000 2.407 301 A HA 0.407 4.728 4.320 0.002 0.000 0.248 301 A C -1.989 175.514 177.584 -0.136 0.000 1.082 301 A CA -0.893 51.129 52.037 -0.025 0.000 0.785 301 A CB -0.450 18.554 19.000 0.008 0.000 1.020 301 A HN 0.293 nan 8.150 nan 0.000 0.489 302 P HA 0.194 nan 4.420 nan 0.000 0.272 302 P C -0.653 176.431 177.300 -0.360 0.000 1.230 302 P CA 0.067 62.850 63.100 -0.528 0.000 0.788 302 P CB 0.753 31.680 31.700 -1.288 0.000 0.949 303 E N 0.427 120.472 120.200 -0.259 0.000 2.207 303 E HA 0.426 4.777 4.350 0.002 0.000 0.270 303 E C -0.809 175.545 176.600 -0.409 0.000 0.927 303 E CA -1.095 55.130 56.400 -0.291 0.000 0.799 303 E CB 1.556 31.129 29.700 -0.211 0.000 1.172 303 E HN 0.265 nan 8.360 nan 0.000 0.404 304 L N 2.752 123.636 121.223 -0.564 0.000 2.292 304 L HA 0.399 4.740 4.340 0.002 0.000 0.284 304 L C -1.495 174.863 176.870 -0.854 0.000 1.065 304 L CA 0.173 54.717 54.840 -0.494 0.000 0.806 304 L CB 0.157 42.040 42.059 -0.294 0.000 1.175 304 L HN 0.413 nan 8.230 nan 0.000 0.431 305 F N 4.288 123.998 119.950 -0.401 0.000 2.612 305 F HA 0.367 4.895 4.527 0.002 0.000 0.332 305 F C -0.290 175.247 175.800 -0.438 0.000 1.167 305 F CA -0.884 56.721 58.000 -0.657 0.000 0.970 305 F CB 1.589 39.793 39.000 -1.327 0.000 1.234 305 F HN -0.004 nan 8.300 nan 0.000 0.453 306 V N 5.023 124.863 119.914 -0.124 0.000 2.470 306 V HA 0.133 4.254 4.120 0.002 0.000 0.276 306 V C 0.441 176.640 176.094 0.174 0.000 1.040 306 V CA -0.452 61.858 62.300 0.017 0.000 1.008 306 V CB 0.816 32.681 31.823 0.071 0.000 0.990 306 V HN 0.545 nan 8.190 nan 0.000 0.477 307 L N 7.908 129.240 121.223 0.181 0.000 2.455 307 L HA 0.228 4.569 4.340 0.002 0.000 0.272 307 L C -2.005 174.968 176.870 0.172 0.000 1.174 307 L CA -1.368 53.617 54.840 0.243 0.000 0.869 307 L CB 0.514 42.646 42.059 0.123 0.000 1.130 307 L HN 0.456 nan 8.230 nan 0.000 0.474 308 P HA 0.074 nan 4.420 nan 0.000 0.267 308 P C -2.004 175.341 177.300 0.075 0.000 1.209 308 P CA -0.968 62.199 63.100 0.111 0.000 0.763 308 P CB 0.458 32.207 31.700 0.081 0.000 0.816 309 P HA -0.267 nan 4.420 nan 0.000 0.218 309 P C 1.383 178.712 177.300 0.047 0.000 1.154 309 P CA 1.509 64.648 63.100 0.064 0.000 0.872 309 P CB -0.176 31.563 31.700 0.066 0.000 0.790 310 E N -0.228 119.995 120.200 0.038 0.000 2.338 310 E HA -0.135 4.216 4.350 0.002 0.000 0.197 310 E C 1.784 178.396 176.600 0.020 0.000 1.007 310 E CA 0.997 57.412 56.400 0.025 0.000 0.849 310 E CB -1.060 28.652 29.700 0.019 0.000 0.774 310 E HN 0.326 nan 8.360 nan 0.000 0.506 311 L N 0.863 122.099 121.223 0.021 0.000 2.375 311 L HA 0.077 4.418 4.340 0.002 0.000 0.215 311 L C 0.745 177.628 176.870 0.021 0.000 1.108 311 L CA 0.109 54.957 54.840 0.014 0.000 0.830 311 L CB 0.509 42.567 42.059 -0.001 0.000 0.959 311 L HN -0.096 nan 8.230 nan 0.000 0.457 312 V N 2.206 122.136 119.914 0.026 0.000 2.258 312 V HA 0.108 4.229 4.120 0.002 0.000 0.258 312 V C 0.069 176.191 176.094 0.046 0.000 1.121 312 V CA -0.522 61.794 62.300 0.026 0.000 0.942 312 V CB 0.837 32.669 31.823 0.014 0.000 1.170 312 V HN 0.063 nan 8.190 nan 0.000 0.487 313 L N 5.302 126.556 121.223 0.052 0.000 2.418 313 L HA 0.360 4.702 4.340 0.002 0.000 0.274 313 L C 0.233 177.141 176.870 0.063 0.000 1.135 313 L CA 0.783 55.648 54.840 0.042 0.000 0.870 313 L CB 0.170 42.247 42.059 0.031 0.000 1.154 313 L HN 0.617 nan 8.230 nan 0.000 0.462 314 E N 3.579 123.798 120.200 0.032 0.000 2.227 314 E HA 0.554 4.905 4.350 0.002 0.000 0.268 314 E C -1.340 175.213 176.600 -0.078 0.000 0.907 314 E CA -1.031 55.389 56.400 0.034 0.000 0.786 314 E CB 2.406 32.154 29.700 0.080 0.000 1.191 314 E HN 0.389 nan 8.360 nan 0.000 0.411 315 V N 3.641 123.468 119.914 -0.144 0.000 2.350 315 V HA 0.291 4.412 4.120 0.002 0.000 0.285 315 V C -2.181 173.838 176.094 -0.125 0.000 1.014 315 V CA -1.891 60.252 62.300 -0.262 0.000 0.831 315 V CB 1.145 32.528 31.823 -0.733 0.000 1.000 315 V HN 0.561 nan 8.190 nan 0.000 0.433 316 P HA 0.232 nan 4.420 nan 0.000 0.276 316 P C -0.720 176.578 177.300 -0.004 0.000 1.235 316 P CA -0.107 62.956 63.100 -0.062 0.000 0.772 316 P CB 1.124 32.794 31.700 -0.050 0.000 0.871 317 L N 3.845 125.097 121.223 0.048 0.000 2.290 317 L HA 0.388 4.729 4.340 0.002 0.000 0.284 317 L C 1.157 178.178 176.870 0.251 0.000 1.078 317 L CA -0.101 54.836 54.840 0.162 0.000 0.815 317 L CB 0.478 42.696 42.059 0.264 0.000 1.162 317 L HN 0.520 nan 8.230 nan 0.000 0.435 318 E N 2.139 122.454 120.200 0.192 0.000 2.408 318 E HA 0.385 4.736 4.350 0.002 0.000 0.275 318 E C -1.381 175.222 176.600 0.004 0.000 0.935 318 E CA -0.953 55.569 56.400 0.204 0.000 0.775 318 E CB 2.214 32.003 29.700 0.148 0.000 1.277 318 E HN 0.473 nan 8.360 nan 0.000 0.455 319 H N 1.820 120.739 119.070 -0.252 0.000 2.463 319 H HA 0.225 4.782 4.556 0.002 0.000 0.332 319 H C -1.706 173.350 175.328 -0.455 0.000 1.127 319 H CA -2.200 53.555 56.048 -0.489 0.000 1.238 319 H CB 1.973 31.321 29.762 -0.690 0.000 1.478 319 H HN 0.434 nan 8.280 nan 0.000 0.499 320 P HA -0.155 nan 4.420 nan 0.000 0.216 320 P C 1.027 178.138 177.300 -0.315 0.000 1.150 320 P CA 2.019 64.574 63.100 -0.908 0.000 0.837 320 P CB 0.379 31.490 31.700 -0.983 0.000 0.786 321 T N -3.956 110.584 114.554 -0.023 0.000 2.999 321 T HA 0.186 4.537 4.350 0.002 0.000 0.247 321 T C 0.996 175.687 174.700 -0.014 0.000 1.012 321 T CA -0.210 61.905 62.100 0.025 0.000 1.048 321 T CB -0.714 68.182 68.868 0.047 0.000 1.020 321 T HN -0.063 nan 8.240 nan 0.000 0.478 322 L N 2.920 124.089 121.223 -0.090 0.000 2.363 322 L HA 0.382 4.723 4.340 0.002 0.000 0.286 322 L C 1.724 178.313 176.870 -0.469 0.000 1.106 322 L CA -0.234 54.297 54.840 -0.515 0.000 0.859 322 L CB 0.745 42.096 42.059 -1.179 0.000 1.223 322 L HN 0.314 nan 8.230 nan 0.000 0.446 323 E N 4.800 124.860 120.200 -0.233 0.000 2.110 323 E HA -0.188 4.164 4.350 0.002 0.000 0.193 323 E C 1.677 178.262 176.600 -0.027 0.000 0.988 323 E CA 1.531 57.887 56.400 -0.073 0.000 0.804 323 E CB 0.060 29.782 29.700 0.036 0.000 0.745 323 E HN 0.823 nan 8.360 nan 0.000 0.458 324 W N -0.245 121.107 121.300 0.087 0.000 2.525 324 W HA -0.129 4.532 4.660 0.002 0.000 0.259 324 W C 1.500 178.071 176.519 0.087 0.000 1.253 324 W CA -0.162 57.222 57.345 0.066 0.000 1.262 324 W CB -1.038 28.442 29.460 0.032 0.000 1.122 324 W HN 0.026 nan 8.180 nan 0.000 0.607 325 F N 2.964 122.611 119.950 -0.504 0.000 2.095 325 F HA -0.141 4.387 4.527 0.002 0.000 0.298 325 F C 2.769 178.557 175.800 -0.020 0.000 1.104 325 F CA 3.198 60.995 58.000 -0.338 0.000 1.232 325 F CB -0.648 38.014 39.000 -0.563 0.000 0.987 325 F HN -0.083 nan 8.300 nan 0.000 0.475 326 A N 0.248 123.198 122.820 0.215 0.000 1.986 326 A HA -0.177 4.144 4.320 0.002 0.000 0.220 326 A C 2.292 179.927 177.584 0.085 0.000 1.171 326 A CA 1.696 53.832 52.037 0.164 0.000 0.640 326 A CB -1.550 17.522 19.000 0.121 0.000 0.811 326 A HN 0.500 nan 8.150 nan 0.000 0.451 327 A N -0.442 122.436 122.820 0.096 0.000 2.125 327 A HA 0.021 4.343 4.320 0.002 0.000 0.219 327 A C 1.934 179.550 177.584 0.053 0.000 1.156 327 A CA 1.224 53.312 52.037 0.086 0.000 0.671 327 A CB -0.575 18.502 19.000 0.129 0.000 0.794 327 A HN 0.515 nan 8.150 nan 0.000 0.459 328 L N -1.304 119.918 121.223 -0.001 0.000 2.362 328 L HA 0.007 4.348 4.340 0.002 0.000 0.219 328 L C 1.931 178.805 176.870 0.006 0.000 1.134 328 L CA 0.647 55.462 54.840 -0.042 0.000 0.807 328 L CB -0.552 41.369 42.059 -0.231 0.000 0.927 328 L HN 0.584 nan 8.230 nan 0.000 0.447 329 G N -0.011 108.793 108.800 0.006 0.000 2.166 329 G HA2 -0.276 3.685 3.960 0.002 0.000 0.260 329 G HA3 -0.276 3.685 3.960 0.002 0.000 0.260 329 G C 0.106 174.963 174.900 -0.071 0.000 0.986 329 G CA -0.119 44.986 45.100 0.009 0.000 0.683 329 G HN 0.114 nan 8.290 nan 0.000 0.527 330 L N 0.600 121.773 121.223 -0.083 0.000 2.452 330 L HA 0.699 5.040 4.340 0.002 0.000 0.267 330 L C 1.117 177.768 176.870 -0.365 0.000 1.188 330 L CA 0.161 54.872 54.840 -0.215 0.000 0.821 330 L CB 0.636 42.693 42.059 -0.004 0.000 1.102 330 L HN 0.672 nan 8.230 nan 0.000 0.470 331 R N 1.545 121.625 120.500 -0.701 0.000 2.728 331 R HA 0.496 4.838 4.340 0.002 0.000 0.274 331 R C -1.972 174.256 176.300 -0.121 0.000 1.030 331 R CA -0.910 54.958 56.100 -0.387 0.000 0.876 331 R CB 1.532 31.554 30.300 -0.462 0.000 1.259 331 R HN 0.608 nan 8.270 nan 0.000 0.468 332 W N 1.606 122.866 121.300 -0.066 0.000 3.248 332 W HA 0.331 4.992 4.660 0.002 0.000 0.311 332 W C -1.263 175.338 176.519 0.137 0.000 1.258 332 W CA -0.912 56.488 57.345 0.092 0.000 1.191 332 W CB 1.812 31.243 29.460 -0.049 0.000 1.389 332 W HN 0.682 nan 8.180 nan 0.000 0.561 333 Y N 1.286 121.509 120.300 -0.128 0.000 2.326 333 Y HA 0.531 5.082 4.550 0.002 0.000 0.333 333 Y C 0.829 176.967 175.900 0.396 0.000 1.240 333 Y CA 0.209 58.333 58.100 0.040 0.000 1.365 333 Y CB 0.190 38.552 38.460 -0.163 0.000 1.289 333 Y HN 0.348 nan 8.280 nan 0.000 0.548 334 A N 2.239 125.326 122.820 0.445 0.000 1.970 334 A HA 0.061 4.382 4.320 0.002 0.000 0.216 334 A C 0.529 178.464 177.584 0.585 0.000 1.170 334 A CA 0.379 52.715 52.037 0.499 0.000 0.645 334 A CB -0.330 18.798 19.000 0.213 0.000 0.816 334 A HN 0.679 nan 8.150 nan 0.000 0.447 335 L N 1.929 123.460 121.223 0.514 0.000 2.255 335 L HA 0.414 4.756 4.340 0.002 0.000 0.289 335 L C -2.554 174.496 176.870 0.300 0.000 1.046 335 L CA -2.164 52.882 54.840 0.343 0.000 0.816 335 L CB 1.559 43.741 42.059 0.205 0.000 1.197 335 L HN -0.020 nan 8.230 nan 0.000 0.427 336 P HA 0.339 nan 4.420 nan 0.000 0.291 336 P C -1.479 175.730 177.300 -0.152 0.000 1.378 336 P CA -0.366 62.597 63.100 -0.228 0.000 0.853 336 P CB 1.353 32.492 31.700 -0.933 0.000 1.002 337 A N 4.596 127.335 122.820 -0.135 0.000 2.545 337 A HA 0.409 4.730 4.320 0.002 0.000 0.300 337 A C -0.158 177.198 177.584 -0.378 0.000 1.252 337 A CA -0.650 51.233 52.037 -0.255 0.000 0.753 337 A CB 0.744 19.627 19.000 -0.195 0.000 1.144 337 A HN 0.291 nan 8.150 nan 0.000 0.457 338 V N 2.728 122.247 119.914 -0.658 0.000 2.585 338 V HA 0.232 4.353 4.120 0.002 0.000 0.296 338 V C 1.242 176.936 176.094 -0.666 0.000 1.035 338 V CA 1.268 63.157 62.300 -0.685 0.000 1.084 338 V CB 1.124 32.380 31.823 -0.945 0.000 0.953 338 V HN 1.098 nan 8.190 nan 0.000 0.483 339 S N 1.524 117.042 115.700 -0.304 0.000 2.780 339 S HA 0.062 4.534 4.470 0.002 0.000 0.248 339 S C 0.756 175.347 174.600 -0.015 0.000 1.036 339 S CA 0.038 58.147 58.200 -0.152 0.000 1.061 339 S CB -0.363 62.782 63.200 -0.092 0.000 1.037 339 S HN 0.910 nan 8.310 nan 0.000 0.584 340 N N 0.483 119.182 118.700 -0.001 0.000 2.187 340 N HA 0.287 5.028 4.740 0.002 0.000 0.212 340 N C 0.091 175.668 175.510 0.112 0.000 1.152 340 N CA -0.464 52.624 53.050 0.064 0.000 0.872 340 N CB 0.147 38.670 38.487 0.061 0.000 1.025 340 N HN 0.286 nan 8.380 nan 0.000 0.514 341 M N 1.469 121.158 119.600 0.147 0.000 2.409 341 M HA 0.330 4.811 4.480 0.002 0.000 0.329 341 M C -0.569 175.888 176.300 0.261 0.000 1.180 341 M CA -0.808 54.628 55.300 0.227 0.000 1.053 341 M CB 2.529 35.306 32.600 0.297 0.000 1.586 341 M HN 0.107 nan 8.290 nan 0.000 0.461 342 L N 2.996 124.349 121.223 0.217 0.000 2.307 342 L HA 0.515 4.856 4.340 0.002 0.000 0.282 342 L C -1.331 175.653 176.870 0.190 0.000 1.051 342 L CA -0.903 54.048 54.840 0.184 0.000 0.804 342 L CB 1.053 43.169 42.059 0.095 0.000 1.197 342 L HN 0.589 nan 8.230 nan 0.000 0.431 343 L N 5.330 126.664 121.223 0.184 0.000 2.265 343 L HA 0.440 4.781 4.340 0.002 0.000 0.289 343 L C -0.501 176.396 176.870 0.044 0.000 1.033 343 L CA 0.214 55.059 54.840 0.008 0.000 0.814 343 L CB 1.095 43.164 42.059 0.015 0.000 1.203 343 L HN 0.631 nan 8.230 nan 0.000 0.423 344 E N 6.634 126.770 120.200 -0.107 0.000 2.133 344 E HA 0.389 4.740 4.350 0.002 0.000 0.274 344 E C -1.535 174.978 176.600 -0.144 0.000 0.930 344 E CA -0.407 55.940 56.400 -0.088 0.000 0.770 344 E CB 1.042 30.684 29.700 -0.096 0.000 1.104 344 E HN 0.719 nan 8.360 nan 0.000 0.403 345 I N 2.399 122.894 120.570 -0.126 0.000 2.499 345 I HA 0.270 4.441 4.170 0.002 0.000 0.288 345 I C 0.888 176.799 176.117 -0.344 0.000 1.048 345 I CA -0.805 60.292 61.300 -0.339 0.000 1.062 345 I CB 2.039 39.766 38.000 -0.454 0.000 1.238 345 I HN 0.781 nan 8.210 nan 0.000 0.426 346 G N 4.241 112.863 108.800 -0.296 0.000 2.416 346 G HA2 -0.142 3.819 3.960 0.002 0.000 0.301 346 G HA3 -0.142 3.819 3.960 0.002 0.000 0.301 346 G C 1.057 176.021 174.900 0.107 0.000 0.985 346 G CA 0.940 46.063 45.100 0.038 0.000 0.934 346 G HN 1.551 nan 8.290 nan 0.000 0.513 347 G N -1.996 106.809 108.800 0.009 0.000 2.253 347 G HA2 -0.263 3.699 3.960 0.002 0.000 0.251 347 G HA3 -0.263 3.699 3.960 0.002 0.000 0.251 347 G C 0.561 175.398 174.900 -0.106 0.000 0.998 347 G CA 0.513 45.612 45.100 -0.001 0.000 0.621 347 G HN 1.246 nan 8.290 nan 0.000 0.524 348 L N 0.852 121.952 121.223 -0.204 0.000 2.395 348 L HA 0.577 4.918 4.340 0.002 0.000 0.269 348 L C 0.338 176.920 176.870 -0.480 0.000 1.133 348 L CA -0.331 54.254 54.840 -0.426 0.000 0.812 348 L CB 0.952 42.657 42.059 -0.591 0.000 1.125 348 L HN 0.224 nan 8.230 nan 0.000 0.452 349 E N 2.347 122.170 120.200 -0.628 0.000 2.199 349 E HA 0.386 4.737 4.350 0.002 0.000 0.265 349 E C -1.560 174.641 176.600 -0.665 0.000 0.882 349 E CA -0.449 55.667 56.400 -0.473 0.000 0.759 349 E CB 1.862 31.423 29.700 -0.231 0.000 1.148 349 E HN 0.258 nan 8.360 nan 0.000 0.412 350 F N 1.835 121.753 119.950 -0.053 0.000 2.311 350 F HA 0.110 4.638 4.527 0.002 0.000 0.371 350 F C 1.488 177.323 175.800 0.058 0.000 1.083 350 F CA -0.597 57.399 58.000 -0.006 0.000 1.113 350 F CB 1.204 40.182 39.000 -0.036 0.000 1.349 350 F HN 0.432 nan 8.300 nan 0.000 0.470 351 S N 1.252 117.049 115.700 0.161 0.000 2.507 351 S HA 0.197 4.668 4.470 0.002 0.000 0.235 351 S C 0.796 175.524 174.600 0.214 0.000 0.988 351 S CA 0.392 58.687 58.200 0.158 0.000 0.944 351 S CB -0.000 63.273 63.200 0.122 0.000 0.762 351 S HN 0.516 nan 8.310 nan 0.000 0.526 352 A N 0.427 123.418 122.820 0.286 0.000 2.522 352 A HA 0.819 5.140 4.320 0.002 0.000 0.285 352 A C -0.234 177.597 177.584 0.411 0.000 1.198 352 A CA -0.159 52.079 52.037 0.335 0.000 0.742 352 A CB 0.908 20.101 19.000 0.320 0.000 1.176 352 A HN 1.004 nan 8.150 nan 0.000 0.444 353 A N 4.041 127.049 122.820 0.313 0.000 3.277 353 A HA 0.638 4.959 4.320 0.002 0.000 0.281 353 A C -3.039 174.681 177.584 0.227 0.000 1.179 353 A CA -0.929 51.247 52.037 0.232 0.000 0.879 353 A CB 0.432 19.575 19.000 0.238 0.000 1.374 353 A HN 0.500 nan 8.150 nan 0.000 0.590 354 P HA 0.409 nan 4.420 nan 0.000 0.268 354 P C -0.742 176.521 177.300 -0.062 0.000 1.204 354 P CA 0.424 63.458 63.100 -0.109 0.000 0.768 354 P CB 0.266 31.859 31.700 -0.178 0.000 0.842 355 F N -0.007 119.863 119.950 -0.134 0.000 2.577 355 F HA 0.789 5.317 4.527 0.002 0.000 0.318 355 F C -0.449 175.259 175.800 -0.154 0.000 1.065 355 F CA -1.149 56.772 58.000 -0.132 0.000 0.929 355 F CB 1.668 40.466 39.000 -0.336 0.000 1.237 355 F HN 0.406 nan 8.300 nan 0.000 0.468 356 S N 0.314 116.081 115.700 0.112 0.000 2.579 356 S HA 0.968 5.439 4.470 0.002 0.000 0.272 356 S C -0.706 173.845 174.600 -0.082 0.000 1.141 356 S CA -0.206 58.000 58.200 0.011 0.000 0.843 356 S CB 1.524 64.811 63.200 0.145 0.000 1.122 356 S HN 1.462 nan 8.310 nan 0.000 0.468 357 G N -0.219 108.494 108.800 -0.145 0.000 3.321 357 G HA2 0.703 4.665 3.960 0.002 0.000 0.169 357 G HA3 0.703 4.665 3.960 0.002 0.000 0.169 357 G C -1.734 173.156 174.900 -0.015 0.000 1.153 357 G CA -0.267 44.670 45.100 -0.270 0.000 1.007 357 G HN 1.145 nan 8.290 nan 0.000 0.668 358 W N -1.270 120.038 121.300 0.014 0.000 3.031 358 W HA 0.820 5.481 4.660 0.002 0.000 0.337 358 W C -1.623 174.912 176.519 0.026 0.000 1.187 358 W CA -2.123 55.250 57.345 0.047 0.000 1.166 358 W CB 0.455 29.982 29.460 0.111 0.000 1.437 358 W HN 0.403 nan 8.180 nan 0.000 0.551 359 Y N 2.621 123.109 120.300 0.314 0.000 2.397 359 Y HA 0.265 4.817 4.550 0.002 0.000 0.335 359 Y C 0.825 176.786 175.900 0.101 0.000 1.213 359 Y CA -0.514 57.657 58.100 0.119 0.000 1.391 359 Y CB 1.074 39.517 38.460 -0.028 0.000 1.293 359 Y HN 0.469 nan 8.280 nan 0.000 0.557 360 M N 2.015 121.768 119.600 0.255 0.000 2.238 360 M HA 0.205 4.686 4.480 0.002 0.000 0.350 360 M C 1.046 177.347 176.300 0.001 0.000 1.138 360 M CA -0.267 55.110 55.300 0.128 0.000 1.040 360 M CB 1.155 33.807 32.600 0.087 0.000 1.639 360 M HN 0.822 nan 8.290 nan 0.000 0.451 361 S N 1.190 116.852 115.700 -0.063 0.000 2.407 361 S HA -0.211 4.261 4.470 0.002 0.000 0.235 361 S C 1.453 175.924 174.600 -0.215 0.000 1.036 361 S CA 2.219 60.309 58.200 -0.184 0.000 1.013 361 S CB -1.450 61.683 63.200 -0.112 0.000 0.820 361 S HN 0.929 nan 8.310 nan 0.000 0.476 362 T N -0.034 114.423 114.554 -0.161 0.000 2.962 362 T HA 0.024 4.375 4.350 0.002 0.000 0.270 362 T C 1.532 176.076 174.700 -0.260 0.000 1.088 362 T CA 1.097 63.053 62.100 -0.240 0.000 1.127 362 T CB -0.512 68.171 68.868 -0.309 0.000 0.883 362 T HN 0.585 nan 8.240 nan 0.000 0.493 363 E N 0.914 120.979 120.200 -0.226 0.000 2.085 363 E HA -0.049 4.303 4.350 0.002 0.000 0.194 363 E C 1.978 178.304 176.600 -0.457 0.000 0.994 363 E CA 1.378 57.643 56.400 -0.225 0.000 0.801 363 E CB -0.280 29.428 29.700 0.014 0.000 0.743 363 E HN 0.602 nan 8.360 nan 0.000 0.453 364 I N -0.045 120.116 120.570 -0.681 0.000 2.364 364 I HA -0.038 4.133 4.170 0.002 0.000 0.241 364 I C 2.583 178.342 176.117 -0.596 0.000 1.082 364 I CA 0.870 61.593 61.300 -0.961 0.000 1.401 364 I CB -0.506 36.830 38.000 -1.106 0.000 1.126 364 I HN 0.093 nan 8.210 nan 0.000 0.429 365 G N 0.216 108.770 108.800 -0.411 0.000 2.422 365 G HA2 -0.173 3.788 3.960 0.002 0.000 0.218 365 G HA3 -0.173 3.788 3.960 0.002 0.000 0.218 365 G C 1.631 176.416 174.900 -0.192 0.000 1.146 365 G CA 1.564 46.520 45.100 -0.241 0.000 0.769 365 G HN 0.296 nan 8.290 nan 0.000 0.547 366 T N -0.170 114.248 114.554 -0.227 0.000 2.988 366 T HA 0.103 4.454 4.350 0.002 0.000 0.240 366 T C 2.537 177.126 174.700 -0.184 0.000 1.014 366 T CA 0.300 62.286 62.100 -0.189 0.000 1.155 366 T CB 0.114 68.852 68.868 -0.217 0.000 0.872 366 T HN 0.030 nan 8.240 nan 0.000 0.440 367 R N 1.932 122.299 120.500 -0.222 0.000 2.051 367 R HA 0.186 4.527 4.340 0.002 0.000 0.225 367 R C 2.189 178.366 176.300 -0.205 0.000 1.155 367 R CA 0.959 56.937 56.100 -0.203 0.000 0.945 367 R CB -1.239 28.940 30.300 -0.201 0.000 0.840 367 R HN 0.298 nan 8.270 nan 0.000 0.432 368 N N 1.170 119.696 118.700 -0.290 0.000 2.104 368 N HA -0.111 4.630 4.740 0.002 0.000 0.190 368 N C 1.950 177.385 175.510 -0.125 0.000 1.024 368 N CA 1.161 54.038 53.050 -0.289 0.000 0.853 368 N CB -0.250 37.723 38.487 -0.856 0.000 1.008 368 N HN 0.191 nan 8.380 nan 0.000 0.424 369 L N -0.944 120.159 121.223 -0.201 0.000 2.298 369 L HA 0.085 4.426 4.340 0.002 0.000 0.209 369 L C 1.419 178.315 176.870 0.043 0.000 1.084 369 L CA 0.390 55.210 54.840 -0.033 0.000 0.816 369 L CB 0.179 42.192 42.059 -0.076 0.000 0.967 369 L HN 0.156 nan 8.230 nan 0.000 0.460 370 C N -1.424 117.861 119.300 -0.025 0.000 2.912 370 C HA 0.162 4.623 4.460 0.002 0.000 0.274 370 C C 0.692 175.669 174.990 -0.022 0.000 1.248 370 C CA -0.901 58.114 59.018 -0.005 0.000 1.694 370 C CB -0.400 27.323 27.740 -0.028 0.000 2.024 370 C HN 0.297 nan 8.230 nan 0.000 0.605 371 D N 2.920 123.275 120.400 -0.075 0.000 2.472 371 D HA 0.049 4.691 4.640 0.002 0.000 0.237 371 D C -1.050 175.224 176.300 -0.044 0.000 1.141 371 D CA -1.329 52.600 54.000 -0.118 0.000 0.875 371 D CB 0.671 41.240 40.800 -0.385 0.000 1.192 371 D HN 0.194 nan 8.370 nan 0.000 0.450 372 P HA -0.159 nan 4.420 nan 0.000 0.218 372 P C 0.722 178.110 177.300 0.147 0.000 1.149 372 P CA 1.314 64.491 63.100 0.128 0.000 0.817 372 P CB 0.016 31.808 31.700 0.154 0.000 0.785 373 H N -2.282 116.799 119.070 0.017 0.000 2.526 373 H HA 0.335 4.892 4.556 0.002 0.000 0.274 373 H C 1.061 176.396 175.328 0.013 0.000 0.999 373 H CA -0.197 55.858 56.048 0.012 0.000 1.157 373 H CB -0.154 29.616 29.762 0.013 0.000 1.407 373 H HN -0.018 nan 8.280 nan 0.000 0.568 374 R N -0.082 120.315 120.500 -0.173 0.000 3.006 374 R HA 0.182 4.523 4.340 0.002 0.000 0.150 374 R C 1.129 177.402 176.300 -0.045 0.000 1.285 374 R CA -0.694 55.346 56.100 -0.100 0.000 0.813 374 R CB -0.870 29.383 30.300 -0.077 0.000 1.582 374 R HN 0.104 nan 8.270 nan 0.000 0.441 375 Y N 1.585 121.894 120.300 0.015 0.000 2.497 375 Y HA -0.092 4.459 4.550 0.002 0.000 0.292 375 Y C 0.673 176.596 175.900 0.039 0.000 1.137 375 Y CA 0.923 59.049 58.100 0.043 0.000 1.285 375 Y CB -0.385 38.138 38.460 0.104 0.000 0.991 375 Y HN 0.482 nan 8.280 nan 0.000 0.556 376 N N 0.947 119.734 118.700 0.145 0.000 2.678 376 N HA -0.234 4.507 4.740 0.002 0.000 0.268 376 N C 0.272 175.865 175.510 0.138 0.000 1.010 376 N CA 0.841 53.958 53.050 0.111 0.000 0.784 376 N CB -1.256 37.280 38.487 0.082 0.000 0.905 376 N HN 0.667 nan 8.380 nan 0.000 0.552 377 I N -3.224 117.440 120.570 0.157 0.000 3.875 377 I HA 0.092 4.263 4.170 0.002 0.000 0.329 377 I C 1.370 177.588 176.117 0.168 0.000 1.295 377 I CA -0.536 60.857 61.300 0.155 0.000 1.129 377 I CB -0.060 38.034 38.000 0.157 0.000 1.008 377 I HN 0.057 nan 8.210 nan 0.000 0.413 378 L N 1.920 123.252 121.223 0.181 0.000 1.978 378 L HA -0.258 4.083 4.340 0.002 0.000 0.218 378 L C 2.664 179.765 176.870 0.386 0.000 1.075 378 L CA 2.331 57.320 54.840 0.247 0.000 0.767 378 L CB -1.082 41.088 42.059 0.185 0.000 0.890 378 L HN 0.535 nan 8.230 nan 0.000 0.434 379 E N -1.107 119.316 120.200 0.372 0.000 2.077 379 E HA -0.227 4.124 4.350 0.002 0.000 0.193 379 E C 1.831 178.469 176.600 0.064 0.000 0.989 379 E CA 1.268 57.786 56.400 0.196 0.000 0.800 379 E CB -0.017 29.721 29.700 0.063 0.000 0.746 379 E HN 0.497 nan 8.360 nan 0.000 0.452 380 D N 0.062 120.508 120.400 0.077 0.000 2.103 380 D HA -0.185 4.456 4.640 0.002 0.000 0.190 380 D C 2.076 178.387 176.300 0.019 0.000 0.997 380 D CA 1.845 55.862 54.000 0.028 0.000 0.833 380 D CB -0.167 40.662 40.800 0.049 0.000 0.961 380 D HN 0.150 nan 8.370 nan 0.000 0.447 381 V N 1.665 121.647 119.914 0.114 0.000 2.343 381 V HA -0.230 3.891 4.120 0.002 0.000 0.247 381 V C 2.585 178.768 176.094 0.147 0.000 1.051 381 V CA 1.745 64.167 62.300 0.203 0.000 1.036 381 V CB -0.810 31.219 31.823 0.343 0.000 0.654 381 V HN 0.181 nan 8.190 nan 0.000 0.451 382 A N -0.184 122.738 122.820 0.170 0.000 1.908 382 A HA -0.171 4.150 4.320 0.002 0.000 0.218 382 A C 2.405 179.959 177.584 -0.050 0.000 1.181 382 A CA 2.123 54.248 52.037 0.147 0.000 0.627 382 A CB -0.708 18.461 19.000 0.283 0.000 0.818 382 A HN 0.339 nan 8.150 nan 0.000 0.445 383 V N -0.966 118.871 119.914 -0.128 0.000 2.427 383 V HA -0.292 3.829 4.120 0.002 0.000 0.248 383 V C 2.547 178.470 176.094 -0.284 0.000 1.051 383 V CA 1.986 64.166 62.300 -0.199 0.000 1.048 383 V CB -0.858 30.856 31.823 -0.182 0.000 0.666 383 V HN 0.723 nan 8.190 nan 0.000 0.456 384 C N -0.617 118.437 119.300 -0.411 0.000 2.446 384 C HA -0.034 4.427 4.460 0.002 0.000 0.279 384 C C 2.534 176.977 174.990 -0.912 0.000 1.366 384 C CA 0.675 59.168 59.018 -0.874 0.000 1.763 384 C CB -0.959 25.910 27.740 -1.451 0.000 1.929 384 C HN 0.521 nan 8.230 nan 0.000 0.509 385 M N 0.111 119.473 119.600 -0.397 0.000 2.561 385 M HA 0.047 4.528 4.480 0.002 0.000 0.238 385 M C 0.521 176.775 176.300 -0.077 0.000 1.131 385 M CA 0.781 56.039 55.300 -0.070 0.000 1.046 385 M CB -0.305 32.385 32.600 0.151 0.000 1.532 385 M HN 0.234 nan 8.290 nan 0.000 0.497 386 D N 1.390 121.698 120.400 -0.153 0.000 2.746 386 D HA -0.153 4.488 4.640 0.002 0.000 0.236 386 D C -0.918 175.344 176.300 -0.063 0.000 1.129 386 D CA 0.450 54.380 54.000 -0.116 0.000 0.691 386 D CB -0.948 39.794 40.800 -0.096 0.000 1.077 386 D HN 0.301 nan 8.370 nan 0.000 0.432 387 L N -0.139 121.053 121.223 -0.050 0.000 2.416 387 L HA 0.393 4.734 4.340 0.002 0.000 0.262 387 L C 0.898 177.720 176.870 -0.081 0.000 1.093 387 L CA -0.759 54.080 54.840 -0.003 0.000 0.801 387 L CB 0.700 42.822 42.059 0.105 0.000 1.191 387 L HN 0.020 nan 8.230 nan 0.000 0.459 388 D N -0.255 120.123 120.400 -0.038 0.000 2.483 388 D HA 0.032 4.673 4.640 0.002 0.000 0.220 388 D C 1.080 177.243 176.300 -0.229 0.000 1.173 388 D CA -0.231 53.713 54.000 -0.093 0.000 0.964 388 D CB 0.578 41.373 40.800 -0.009 0.000 1.046 388 D HN 0.558 nan 8.370 nan 0.000 0.517 389 T N 0.403 114.639 114.554 -0.531 0.000 3.160 389 T HA -0.020 4.331 4.350 0.002 0.000 0.257 389 T C 1.714 176.151 174.700 -0.439 0.000 1.147 389 T CA 0.172 61.631 62.100 -1.068 0.000 1.064 389 T CB -0.033 68.113 68.868 -1.203 0.000 0.949 389 T HN 0.266 nan 8.240 nan 0.000 0.526 390 R N 0.891 121.269 120.500 -0.204 0.000 2.080 390 R HA 0.015 4.356 4.340 0.002 0.000 0.236 390 R C 1.510 177.824 176.300 0.023 0.000 1.137 390 R CA 1.459 57.514 56.100 -0.075 0.000 0.943 390 R CB -0.564 29.707 30.300 -0.048 0.000 0.846 390 R HN 0.411 nan 8.270 nan 0.000 0.431 391 T N -1.357 113.246 114.554 0.082 0.000 2.932 391 T HA 0.139 4.490 4.350 0.002 0.000 0.289 391 T C 1.265 176.124 174.700 0.264 0.000 1.039 391 T CA -0.377 61.808 62.100 0.141 0.000 1.024 391 T CB 1.864 70.787 68.868 0.092 0.000 1.090 391 T HN 0.333 nan 8.240 nan 0.000 0.496 392 T N 0.155 114.829 114.554 0.200 0.000 2.857 392 T HA -0.080 4.271 4.350 0.002 0.000 0.266 392 T C 2.132 176.890 174.700 0.096 0.000 1.048 392 T CA 1.486 63.678 62.100 0.154 0.000 1.139 392 T CB -0.828 68.082 68.868 0.070 0.000 0.874 392 T HN 0.673 nan 8.240 nan 0.000 0.455 393 S N 2.326 118.079 115.700 0.089 0.000 2.493 393 S HA -0.108 4.363 4.470 0.002 0.000 0.243 393 S C 2.112 176.758 174.600 0.077 0.000 0.991 393 S CA 1.020 59.258 58.200 0.063 0.000 0.957 393 S CB -0.994 62.237 63.200 0.052 0.000 0.756 393 S HN 0.784 nan 8.310 nan 0.000 0.521 394 S N 1.523 117.303 115.700 0.133 0.000 2.562 394 S HA 0.252 4.723 4.470 0.002 0.000 0.221 394 S C 0.965 175.645 174.600 0.134 0.000 0.975 394 S CA 0.209 58.495 58.200 0.142 0.000 0.918 394 S CB -0.941 62.374 63.200 0.191 0.000 0.772 394 S HN 0.622 nan 8.310 nan 0.000 0.531 395 L N 0.719 121.991 121.223 0.082 0.000 3.843 395 L HA -0.184 4.157 4.340 0.002 0.000 0.411 395 L C 1.706 178.582 176.870 0.010 0.000 1.205 395 L CA 0.747 55.579 54.840 -0.014 0.000 0.945 395 L CB -2.534 39.526 42.059 0.002 0.000 1.929 395 L HN 0.743 nan 8.230 nan 0.000 0.934 396 W N 0.230 121.543 121.300 0.021 0.000 2.342 396 W HA -0.172 4.489 4.660 0.001 0.000 0.297 396 W C 1.718 178.256 176.519 0.032 0.000 1.213 396 W CA 1.418 58.778 57.345 0.025 0.000 1.251 396 W CB -0.749 28.722 29.460 0.018 0.000 1.136 396 W HN 0.295 nan 8.180 nan 0.000 0.526 397 K N 1.042 120.989 120.400 -0.755 0.000 2.057 397 K HA -0.157 4.164 4.320 0.002 0.000 0.207 397 K C 1.514 177.961 176.600 -0.255 0.000 1.049 397 K CA 2.315 58.180 56.287 -0.704 0.000 0.931 397 K CB -0.380 31.569 32.500 -0.919 0.000 0.714 397 K HN 0.082 nan 8.250 nan 0.000 0.440 398 D N 0.695 120.977 120.400 -0.196 0.000 2.144 398 D HA -0.107 4.534 4.640 0.002 0.000 0.200 398 D C 1.686 177.976 176.300 -0.016 0.000 0.978 398 D CA 1.128 55.074 54.000 -0.091 0.000 0.833 398 D CB 0.057 40.813 40.800 -0.074 0.000 0.961 398 D HN 0.119 nan 8.370 nan 0.000 0.470 399 K N 0.512 120.927 120.400 0.025 0.000 2.025 399 K HA 0.024 4.345 4.320 0.002 0.000 0.207 399 K C 2.219 178.884 176.600 0.108 0.000 1.049 399 K CA 1.049 57.382 56.287 0.077 0.000 0.933 399 K CB -0.132 32.435 32.500 0.112 0.000 0.714 399 K HN 0.076 nan 8.250 nan 0.000 0.438 400 A N 1.656 124.561 122.820 0.141 0.000 1.902 400 A HA -0.136 4.186 4.320 0.002 0.000 0.217 400 A C 2.391 180.060 177.584 0.142 0.000 1.181 400 A CA 1.881 54.033 52.037 0.191 0.000 0.623 400 A CB -0.752 18.401 19.000 0.255 0.000 0.818 400 A HN 0.335 nan 8.150 nan 0.000 0.443 401 A N -0.482 122.379 122.820 0.067 0.000 1.883 401 A HA -0.070 4.251 4.320 0.002 0.000 0.217 401 A C 2.248 179.851 177.584 0.033 0.000 1.186 401 A CA 1.964 54.018 52.037 0.028 0.000 0.624 401 A CB -1.114 17.864 19.000 -0.036 0.000 0.822 401 A HN 0.430 nan 8.150 nan 0.000 0.444 402 V N 0.432 120.369 119.914 0.040 0.000 2.287 402 V HA -0.256 3.865 4.120 0.002 0.000 0.248 402 V C 2.598 178.731 176.094 0.064 0.000 1.053 402 V CA 2.291 64.620 62.300 0.049 0.000 1.027 402 V CB -0.758 31.101 31.823 0.059 0.000 0.646 402 V HN 0.549 nan 8.190 nan 0.000 0.447 403 E N -0.161 120.099 120.200 0.100 0.000 2.110 403 E HA -0.137 4.214 4.350 0.002 0.000 0.193 403 E C 2.124 178.761 176.600 0.062 0.000 0.988 403 E CA 1.227 57.707 56.400 0.133 0.000 0.804 403 E CB -0.312 29.458 29.700 0.117 0.000 0.745 403 E HN 0.601 nan 8.360 nan 0.000 0.458 404 I N 1.224 121.854 120.570 0.099 0.000 2.226 404 I HA -0.279 3.892 4.170 0.002 0.000 0.245 404 I C 1.717 177.822 176.117 -0.020 0.000 1.100 404 I CA 1.099 62.458 61.300 0.098 0.000 1.374 404 I CB -0.352 37.753 38.000 0.176 0.000 1.057 404 I HN 0.044 nan 8.210 nan 0.000 0.413 405 N N 0.711 119.395 118.700 -0.027 0.000 2.188 405 N HA -0.163 4.578 4.740 0.002 0.000 0.184 405 N C 1.692 177.161 175.510 -0.068 0.000 1.018 405 N CA 0.823 53.838 53.050 -0.059 0.000 0.858 405 N CB -0.187 38.281 38.487 -0.032 0.000 0.989 405 N HN 0.147 nan 8.380 nan 0.000 0.426 406 L N 0.755 121.936 121.223 -0.069 0.000 2.046 406 L HA -0.028 4.313 4.340 0.002 0.000 0.208 406 L C 2.015 178.757 176.870 -0.215 0.000 1.077 406 L CA 1.427 56.190 54.840 -0.128 0.000 0.747 406 L CB -0.829 41.141 42.059 -0.149 0.000 0.896 406 L HN 0.164 nan 8.230 nan 0.000 0.432 407 A N -1.276 121.365 122.820 -0.299 0.000 1.908 407 A HA -0.160 4.161 4.320 0.002 0.000 0.218 407 A C 2.258 179.769 177.584 -0.122 0.000 1.181 407 A CA 2.001 53.815 52.037 -0.373 0.000 0.627 407 A CB -1.086 17.422 19.000 -0.820 0.000 0.818 407 A HN 0.304 nan 8.150 nan 0.000 0.445 408 V N 0.037 119.897 119.914 -0.089 0.000 2.261 408 V HA -0.280 3.841 4.120 0.002 0.000 0.246 408 V C 2.583 178.681 176.094 0.007 0.000 1.047 408 V CA 2.074 64.358 62.300 -0.027 0.000 1.015 408 V CB -0.830 30.892 31.823 -0.167 0.000 0.642 408 V HN 0.577 nan 8.190 nan 0.000 0.446 409 L N -0.594 120.599 121.223 -0.050 0.000 2.012 409 L HA -0.240 4.102 4.340 0.002 0.000 0.210 409 L C 2.629 179.525 176.870 0.043 0.000 1.073 409 L CA 2.189 57.018 54.840 -0.017 0.000 0.748 409 L CB -0.823 41.219 42.059 -0.028 0.000 0.891 409 L HN 0.479 nan 8.230 nan 0.000 0.431 410 H N -0.238 118.786 119.070 -0.078 0.000 2.290 410 H HA -0.158 4.399 4.556 0.002 0.000 0.298 410 H C 2.369 177.682 175.328 -0.026 0.000 1.087 410 H CA 2.049 58.042 56.048 -0.092 0.000 1.291 410 H CB -0.066 29.574 29.762 -0.203 0.000 1.369 410 H HN 0.156 nan 8.280 nan 0.000 0.492 411 S N -0.422 115.224 115.700 -0.090 0.000 2.356 411 S HA -0.141 4.330 4.470 0.002 0.000 0.223 411 S C 2.088 176.659 174.600 -0.048 0.000 1.032 411 S CA 1.396 59.536 58.200 -0.100 0.000 1.005 411 S CB -0.573 62.661 63.200 0.057 0.000 0.867 411 S HN 0.388 nan 8.310 nan 0.000 0.449 412 F N 1.797 121.683 119.950 -0.107 0.000 2.146 412 F HA -0.135 4.393 4.527 0.002 0.000 0.298 412 F C 2.830 178.574 175.800 -0.093 0.000 1.096 412 F CA 1.134 59.095 58.000 -0.065 0.000 1.275 412 F CB -0.323 38.664 39.000 -0.022 0.000 1.008 412 F HN 0.193 nan 8.300 nan 0.000 0.480 413 Q N -0.322 119.517 119.800 0.065 0.000 2.124 413 Q HA -0.221 4.120 4.340 0.002 0.000 0.202 413 Q C 2.136 178.076 176.000 -0.099 0.000 0.977 413 Q CA 1.359 57.149 55.803 -0.022 0.000 0.850 413 Q CB -0.346 28.374 28.738 -0.029 0.000 0.901 413 Q HN 0.352 nan 8.270 nan 0.000 0.429 414 L N 0.180 121.284 121.223 -0.199 0.000 2.093 414 L HA -0.039 4.302 4.340 0.002 0.000 0.208 414 L C 1.869 178.649 176.870 -0.151 0.000 1.085 414 L CA 1.711 56.418 54.840 -0.222 0.000 0.755 414 L CB -0.424 41.405 42.059 -0.383 0.000 0.904 414 L HN 0.097 nan 8.230 nan 0.000 0.435 415 A N -1.438 121.289 122.820 -0.155 0.000 2.238 415 A HA 0.043 4.365 4.320 0.002 0.000 0.208 415 A C 0.733 178.249 177.584 -0.112 0.000 1.177 415 A CA 0.041 51.990 52.037 -0.146 0.000 0.804 415 A CB -0.328 18.543 19.000 -0.216 0.000 0.823 415 A HN 0.367 nan 8.150 nan 0.000 0.482 416 K N -1.119 119.229 120.400 -0.086 0.000 3.096 416 K HA -0.127 4.194 4.320 0.002 0.000 0.266 416 K C -0.584 175.986 176.600 -0.050 0.000 1.043 416 K CA 0.810 57.060 56.287 -0.062 0.000 0.758 416 K CB -2.741 29.722 32.500 -0.060 0.000 1.260 416 K HN 0.311 nan 8.250 nan 0.000 0.481 417 V N 1.056 120.953 119.914 -0.030 0.000 2.417 417 V HA 0.195 4.316 4.120 0.002 0.000 0.291 417 V C 0.820 177.000 176.094 0.143 0.000 1.024 417 V CA -0.740 61.576 62.300 0.027 0.000 0.861 417 V CB 2.004 33.775 31.823 -0.086 0.000 0.985 417 V HN 0.268 nan 8.190 nan 0.000 0.436 418 T N 6.192 120.788 114.554 0.071 0.000 2.905 418 T HA 0.344 4.695 4.350 0.002 0.000 0.299 418 T C -0.281 174.486 174.700 0.112 0.000 1.024 418 T CA 0.952 63.020 62.100 -0.053 0.000 1.151 418 T CB -0.061 68.637 68.868 -0.284 0.000 0.987 418 T HN 0.529 nan 8.240 nan 0.000 0.535 419 I N 3.154 123.731 120.570 0.011 0.000 2.908 419 I HA 0.666 4.837 4.170 0.002 0.000 0.300 419 I C -1.624 174.515 176.117 0.035 0.000 1.385 419 I CA -0.809 60.529 61.300 0.064 0.000 1.004 419 I CB 2.164 40.152 38.000 -0.019 0.000 1.309 419 I HN 0.425 nan 8.210 nan 0.000 0.449 420 V N 5.478 125.460 119.914 0.114 0.000 2.686 420 V HA 0.560 4.681 4.120 0.002 0.000 0.306 420 V C -1.330 174.808 176.094 0.073 0.000 1.065 420 V CA -0.304 62.067 62.300 0.118 0.000 0.894 420 V CB 2.010 33.988 31.823 0.260 0.000 1.004 420 V HN 0.927 nan 8.190 nan 0.000 0.424 421 D N 4.239 124.657 120.400 0.031 0.000 2.358 421 D HA 0.178 4.819 4.640 0.002 0.000 0.244 421 D C 1.310 177.592 176.300 -0.030 0.000 1.163 421 D CA 0.232 54.228 54.000 -0.007 0.000 0.945 421 D CB 0.469 41.231 40.800 -0.064 0.000 1.152 421 D HN 0.726 nan 8.370 nan 0.000 0.451 422 H N -0.135 118.854 119.070 -0.135 0.000 2.456 422 H HA -0.138 4.420 4.556 0.002 0.000 0.296 422 H C 0.996 176.206 175.328 -0.196 0.000 1.079 422 H CA 1.305 57.237 56.048 -0.193 0.000 1.322 422 H CB -0.557 29.037 29.762 -0.281 0.000 1.388 422 H HN 0.515 nan 8.280 nan 0.000 0.538 423 H N 1.267 120.162 119.070 -0.292 0.000 2.307 423 H HA 0.126 4.683 4.556 0.002 0.000 0.303 423 H C 2.570 177.881 175.328 -0.027 0.000 1.073 423 H CA 1.335 57.300 56.048 -0.138 0.000 1.338 423 H CB -0.384 29.263 29.762 -0.191 0.000 1.389 423 H HN 0.496 nan 8.280 nan 0.000 0.503 424 A N 1.527 124.399 122.820 0.087 0.000 1.908 424 A HA -0.129 4.192 4.320 0.002 0.000 0.218 424 A C 2.717 180.370 177.584 0.114 0.000 1.181 424 A CA 1.961 54.053 52.037 0.091 0.000 0.627 424 A CB -0.914 18.130 19.000 0.073 0.000 0.818 424 A HN 0.442 nan 8.150 nan 0.000 0.445 425 A N -0.230 122.655 122.820 0.108 0.000 1.883 425 A HA -0.147 4.174 4.320 0.002 0.000 0.217 425 A C 2.464 180.142 177.584 0.158 0.000 1.186 425 A CA 2.782 54.901 52.037 0.137 0.000 0.624 425 A CB -1.510 17.556 19.000 0.111 0.000 0.822 425 A HN 0.801 nan 8.150 nan 0.000 0.444 426 T N -2.703 111.930 114.554 0.131 0.000 2.867 426 T HA -0.063 4.289 4.350 0.002 0.000 0.268 426 T C 1.677 176.508 174.700 0.218 0.000 1.057 426 T CA 1.300 63.505 62.100 0.175 0.000 1.136 426 T CB -0.684 68.255 68.868 0.119 0.000 0.874 426 T HN 0.056 nan 8.240 nan 0.000 0.466 427 V N 2.815 122.831 119.914 0.170 0.000 2.343 427 V HA -0.181 3.940 4.120 0.002 0.000 0.247 427 V C 3.218 179.404 176.094 0.153 0.000 1.051 427 V CA 2.137 64.526 62.300 0.149 0.000 1.036 427 V CB -0.949 30.944 31.823 0.117 0.000 0.654 427 V HN 0.802 nan 8.190 nan 0.000 0.451 428 S N -0.328 115.473 115.700 0.169 0.000 2.383 428 S HA -0.209 4.262 4.470 0.002 0.000 0.227 428 S C 1.977 176.703 174.600 0.210 0.000 1.026 428 S CA 1.459 59.760 58.200 0.169 0.000 0.981 428 S CB -0.718 62.587 63.200 0.175 0.000 0.818 428 S HN 0.492 nan 8.310 nan 0.000 0.472 429 F N 2.224 122.238 119.950 0.108 0.000 2.186 429 F HA 0.089 4.617 4.527 0.002 0.000 0.299 429 F C 2.260 178.150 175.800 0.150 0.000 1.090 429 F CA 1.147 59.225 58.000 0.130 0.000 1.307 429 F CB -0.354 38.701 39.000 0.092 0.000 1.019 429 F HN 0.102 nan 8.300 nan 0.000 0.489 430 M N 0.085 119.753 119.600 0.115 0.000 2.117 430 M HA -0.186 4.296 4.480 0.002 0.000 0.262 430 M C 2.198 178.476 176.300 -0.037 0.000 1.065 430 M CA 1.521 56.836 55.300 0.025 0.000 1.114 430 M CB -1.255 31.407 32.600 0.103 0.000 1.361 430 M HN 0.067 nan 8.290 nan 0.000 0.408 431 K N -0.309 120.102 120.400 0.017 0.000 2.057 431 K HA -0.195 4.126 4.320 0.002 0.000 0.206 431 K C 1.988 178.577 176.600 -0.018 0.000 1.050 431 K CA 1.736 58.032 56.287 0.014 0.000 0.935 431 K CB -0.660 31.872 32.500 0.054 0.000 0.715 431 K HN 0.375 nan 8.250 nan 0.000 0.439 432 H N 0.143 119.133 119.070 -0.133 0.000 2.352 432 H HA -0.018 4.539 4.556 0.002 0.000 0.299 432 H C 1.711 176.882 175.328 -0.262 0.000 1.097 432 H CA 2.213 58.155 56.048 -0.176 0.000 1.311 432 H CB -0.212 29.416 29.762 -0.222 0.000 1.377 432 H HN 0.171 nan 8.280 nan 0.000 0.504 433 L N -0.213 120.724 121.223 -0.476 0.000 2.042 433 L HA -0.189 4.152 4.340 0.002 0.000 0.210 433 L C 2.349 179.060 176.870 -0.265 0.000 1.076 433 L CA 1.816 56.394 54.840 -0.436 0.000 0.749 433 L CB -0.525 41.335 42.059 -0.333 0.000 0.893 433 L HN 0.390 nan 8.230 nan 0.000 0.432 434 D N 0.069 120.364 120.400 -0.175 0.000 2.084 434 D HA -0.199 4.442 4.640 0.002 0.000 0.194 434 D C 1.919 178.152 176.300 -0.111 0.000 0.990 434 D CA 1.360 55.297 54.000 -0.104 0.000 0.826 434 D CB 0.017 40.782 40.800 -0.057 0.000 0.971 434 D HN 0.150 nan 8.370 nan 0.000 0.453 435 N N 0.496 119.122 118.700 -0.124 0.000 2.069 435 N HA -0.147 4.594 4.740 0.002 0.000 0.191 435 N C 1.653 177.088 175.510 -0.126 0.000 1.031 435 N CA 0.950 53.946 53.050 -0.090 0.000 0.852 435 N CB -0.323 38.141 38.487 -0.039 0.000 1.018 435 N HN 0.356 nan 8.380 nan 0.000 0.423 436 E N 0.717 120.759 120.200 -0.263 0.000 2.150 436 E HA -0.160 4.191 4.350 0.002 0.000 0.193 436 E C 1.922 178.440 176.600 -0.137 0.000 0.985 436 E CA 0.616 56.867 56.400 -0.248 0.000 0.814 436 E CB -0.165 29.282 29.700 -0.421 0.000 0.752 436 E HN 0.341 nan 8.360 nan 0.000 0.466 437 Q N 1.406 121.134 119.800 -0.120 0.000 2.084 437 Q HA -0.120 4.221 4.340 0.002 0.000 0.202 437 Q C 1.751 177.725 176.000 -0.044 0.000 0.978 437 Q CA 1.691 57.456 55.803 -0.063 0.000 0.844 437 Q CB 0.038 28.745 28.738 -0.053 0.000 0.898 437 Q HN 0.135 nan 8.270 nan 0.000 0.426 438 K N -0.863 119.509 120.400 -0.046 0.000 2.062 438 K HA 0.053 4.374 4.320 0.002 0.000 0.205 438 K C 2.013 178.599 176.600 -0.023 0.000 1.051 438 K CA 0.975 57.244 56.287 -0.029 0.000 0.941 438 K CB -0.143 32.342 32.500 -0.025 0.000 0.719 438 K HN 0.226 nan 8.250 nan 0.000 0.440 439 A N 1.314 124.119 122.820 -0.025 0.000 1.872 439 A HA -0.053 4.268 4.320 0.002 0.000 0.214 439 A C 1.820 179.398 177.584 -0.011 0.000 1.187 439 A CA 1.157 53.191 52.037 -0.006 0.000 0.614 439 A CB -0.044 18.966 19.000 0.018 0.000 0.826 439 A HN 0.141 nan 8.150 nan 0.000 0.442 440 R N -2.252 118.232 120.500 -0.028 0.000 2.509 440 R HA 0.270 4.611 4.340 0.002 0.000 0.297 440 R C 0.770 177.064 176.300 -0.010 0.000 0.951 440 R CA 0.491 56.581 56.100 -0.017 0.000 1.103 440 R CB 0.646 30.931 30.300 -0.025 0.000 1.283 440 R HN 0.684 nan 8.270 nan 0.000 0.534 441 G N 0.959 109.748 108.800 -0.017 0.000 2.182 441 G HA2 -0.182 3.780 3.960 0.002 0.000 0.248 441 G HA3 -0.182 3.780 3.960 0.002 0.000 0.248 441 G C 0.182 175.095 174.900 0.023 0.000 1.042 441 G CA 0.093 45.189 45.100 -0.007 0.000 0.775 441 G HN 0.710 nan 8.290 nan 0.000 0.501 442 G N -2.463 106.348 108.800 0.019 0.000 2.336 442 G HA2 0.555 4.516 3.960 0.002 0.000 0.300 442 G HA3 0.555 4.516 3.960 0.002 0.000 0.300 442 G C -0.786 174.140 174.900 0.043 0.000 1.375 442 G CA 0.415 45.558 45.100 0.070 0.000 0.885 442 G HN 2.024 nan 8.290 nan 0.000 0.599 443 C N 1.941 121.292 119.300 0.085 0.000 2.928 443 C HA 0.686 5.147 4.460 0.002 0.000 0.396 443 C C -2.613 172.360 174.990 -0.028 0.000 1.052 443 C CA -1.089 57.923 59.018 -0.009 0.000 1.251 443 C CB 1.238 28.908 27.740 -0.118 0.000 1.684 443 C HN 0.728 nan 8.230 nan 0.000 0.501 444 P HA 0.410 nan 4.420 nan 0.000 0.271 444 P C -0.620 176.587 177.300 -0.155 0.000 1.233 444 P CA 0.605 63.361 63.100 -0.573 0.000 0.764 444 P CB 1.056 32.166 31.700 -0.983 0.000 0.825 445 A N 2.794 125.592 122.820 -0.038 0.000 2.488 445 A HA 0.399 4.720 4.320 0.002 0.000 0.298 445 A C -0.984 176.657 177.584 0.096 0.000 1.044 445 A CA -0.574 51.530 52.037 0.112 0.000 0.693 445 A CB 1.257 20.444 19.000 0.312 0.000 1.272 445 A HN 0.441 nan 8.150 nan 0.000 0.402 446 D N 2.159 122.603 120.400 0.073 0.000 2.428 446 D HA 0.117 4.758 4.640 0.002 0.000 0.221 446 D C 0.857 177.283 176.300 0.209 0.000 1.123 446 D CA -0.468 53.601 54.000 0.116 0.000 0.869 446 D CB 0.333 41.145 40.800 0.020 0.000 1.032 446 D HN 0.609 nan 8.370 nan 0.000 0.506 447 W N 4.254 125.590 121.300 0.059 0.000 2.304 447 W HA -0.329 4.333 4.660 0.002 0.000 0.315 447 W C 1.965 178.513 176.519 0.048 0.000 1.233 447 W CA 2.435 59.802 57.345 0.036 0.000 1.261 447 W CB 0.025 29.479 29.460 -0.010 0.000 1.150 447 W HN 0.566 nan 8.180 nan 0.000 0.494 448 A N -1.369 121.752 122.820 0.501 0.000 1.972 448 A HA -0.202 4.120 4.320 0.002 0.000 0.219 448 A C 1.499 179.192 177.584 0.182 0.000 1.169 448 A CA 1.635 53.900 52.037 0.379 0.000 0.635 448 A CB -1.260 17.983 19.000 0.404 0.000 0.810 448 A HN 0.533 nan 8.150 nan 0.000 0.446 449 W N -0.801 120.481 121.300 -0.030 0.000 2.704 449 W HA 0.183 4.844 4.660 0.002 0.000 0.266 449 W C 1.874 178.288 176.519 -0.175 0.000 1.266 449 W CA -0.045 57.255 57.345 -0.075 0.000 1.377 449 W CB -0.062 29.378 29.460 -0.033 0.000 1.082 449 W HN 0.142 nan 8.180 nan 0.000 0.608 450 I N -0.201 120.339 120.570 -0.050 0.000 2.353 450 I HA -0.079 4.092 4.170 0.002 0.000 0.248 450 I C 0.650 176.571 176.117 -0.327 0.000 1.119 450 I CA 0.809 61.949 61.300 -0.266 0.000 1.417 450 I CB -1.506 36.273 38.000 -0.369 0.000 1.078 450 I HN -0.418 nan 8.210 nan 0.000 0.421 451 V N 4.795 124.430 119.914 -0.465 0.000 2.521 451 V HA 0.092 4.213 4.120 0.002 0.000 0.286 451 V C -1.716 174.198 176.094 -0.300 0.000 1.034 451 V CA -1.115 60.893 62.300 -0.486 0.000 1.045 451 V CB 0.266 31.535 31.823 -0.923 0.000 0.974 451 V HN 0.164 nan 8.190 nan 0.000 0.480 452 P HA 0.117 nan 4.420 nan 0.000 0.268 452 P C -1.988 175.178 177.300 -0.224 0.000 1.208 452 P CA -1.296 61.670 63.100 -0.224 0.000 0.777 452 P CB 0.104 31.665 31.700 -0.231 0.000 0.875 453 P HA -0.014 nan 4.420 nan 0.000 0.231 453 P C 0.446 177.633 177.300 -0.189 0.000 1.158 453 P CA 1.181 64.158 63.100 -0.204 0.000 0.763 453 P CB 0.013 31.585 31.700 -0.214 0.000 0.805 454 I N -7.134 113.288 120.570 -0.247 0.000 2.894 454 I HA 0.446 4.617 4.170 0.002 0.000 0.302 454 I C -0.163 175.843 176.117 -0.186 0.000 1.188 454 I CA -1.274 59.902 61.300 -0.207 0.000 1.014 454 I CB 1.994 39.850 38.000 -0.239 0.000 1.242 454 I HN -0.413 nan 8.210 nan 0.000 0.430 455 S N 2.071 117.722 115.700 -0.082 0.000 3.587 455 S HA -0.190 4.281 4.470 0.002 0.000 0.337 455 S C 1.349 175.935 174.600 -0.024 0.000 1.119 455 S CA 0.823 59.019 58.200 -0.007 0.000 0.976 455 S CB -1.706 61.568 63.200 0.123 0.000 0.922 455 S HN 1.303 nan 8.310 nan 0.000 0.503 456 G N 2.512 111.278 108.800 -0.057 0.000 2.721 456 G HA2 -0.352 3.610 3.960 0.002 0.000 0.218 456 G HA3 -0.352 3.610 3.960 0.002 0.000 0.218 456 G C 1.495 176.314 174.900 -0.135 0.000 1.265 456 G CA 1.750 46.843 45.100 -0.011 0.000 0.796 456 G HN 1.347 nan 8.290 nan 0.000 0.620 457 S N -0.014 115.317 115.700 -0.615 0.000 2.507 457 S HA 0.072 4.543 4.470 0.002 0.000 0.235 457 S C 2.049 176.576 174.600 -0.122 0.000 0.988 457 S CA 0.956 58.619 58.200 -0.895 0.000 0.944 457 S CB -0.093 62.416 63.200 -1.151 0.000 0.762 457 S HN 0.077 nan 8.310 nan 0.000 0.526 458 L N 2.360 123.570 121.223 -0.022 0.000 2.478 458 L HA 0.206 4.547 4.340 0.002 0.000 0.223 458 L C 1.422 178.415 176.870 0.206 0.000 1.140 458 L CA 0.845 55.754 54.840 0.115 0.000 0.842 458 L CB -1.084 41.071 42.059 0.160 0.000 0.953 458 L HN 0.618 nan 8.230 nan 0.000 0.452 459 T N -4.495 110.171 114.554 0.186 0.000 2.925 459 T HA 0.359 4.710 4.350 0.002 0.000 0.285 459 T C -1.679 173.179 174.700 0.264 0.000 1.021 459 T CA -1.922 60.309 62.100 0.218 0.000 1.042 459 T CB 1.848 70.800 68.868 0.141 0.000 1.037 459 T HN -0.151 nan 8.240 nan 0.000 0.481 460 P HA -0.089 nan 4.420 nan 0.000 0.220 460 P C 1.777 179.263 177.300 0.310 0.000 1.148 460 P CA 1.053 64.341 63.100 0.314 0.000 0.803 460 P CB -0.344 31.491 31.700 0.225 0.000 0.782 461 V N -3.853 116.192 119.914 0.219 0.000 2.759 461 V HA -0.172 3.949 4.120 0.002 0.000 0.256 461 V C 2.393 178.540 176.094 0.089 0.000 1.080 461 V CA 1.085 63.481 62.300 0.160 0.000 1.101 461 V CB -2.224 29.635 31.823 0.060 0.000 0.698 461 V HN -0.108 nan 8.190 nan 0.000 0.477 462 F N 1.664 121.552 119.950 -0.104 0.000 2.171 462 F HA -0.154 4.374 4.527 0.002 0.000 0.300 462 F C 2.437 178.303 175.800 0.111 0.000 1.090 462 F CA 2.117 60.041 58.000 -0.127 0.000 1.293 462 F CB -0.177 38.633 39.000 -0.318 0.000 1.013 462 F HN 0.264 nan 8.300 nan 0.000 0.486 463 H N -0.765 118.656 119.070 0.585 0.000 2.533 463 H HA 0.116 4.673 4.556 0.002 0.000 0.271 463 H C 0.121 175.702 175.328 0.422 0.000 1.000 463 H CA 0.178 56.523 56.048 0.495 0.000 1.149 463 H CB -0.236 29.780 29.762 0.423 0.000 1.375 463 H HN 0.271 nan 8.280 nan 0.000 0.582 464 Q N 1.825 121.898 119.800 0.455 0.000 2.325 464 Q HA 0.181 4.522 4.340 0.002 0.000 0.262 464 Q C -0.577 175.661 176.000 0.397 0.000 0.968 464 Q CA -0.490 55.541 55.803 0.381 0.000 0.877 464 Q CB 1.005 29.925 28.738 0.303 0.000 1.253 464 Q HN 0.222 nan 8.270 nan 0.000 0.448 465 E N 3.314 123.707 120.200 0.322 0.000 2.390 465 E HA 0.304 4.655 4.350 0.002 0.000 0.261 465 E C -0.480 176.267 176.600 0.245 0.000 1.076 465 E CA 0.196 56.742 56.400 0.243 0.000 0.905 465 E CB 0.875 30.701 29.700 0.210 0.000 0.984 465 E HN 0.602 nan 8.360 nan 0.000 0.427 466 M N 1.129 120.868 119.600 0.233 0.000 2.593 466 M HA 0.405 4.886 4.480 0.002 0.000 0.290 466 M C -1.258 175.153 176.300 0.185 0.000 1.244 466 M CA -1.014 54.426 55.300 0.234 0.000 0.857 466 M CB 2.434 35.221 32.600 0.313 0.000 1.738 466 M HN 0.152 nan 8.290 nan 0.000 0.461 467 V N 1.638 121.671 119.914 0.198 0.000 2.448 467 V HA 0.495 4.616 4.120 0.002 0.000 0.295 467 V C -0.812 175.409 176.094 0.212 0.000 1.025 467 V CA -0.750 61.694 62.300 0.240 0.000 0.859 467 V CB 1.735 33.758 31.823 0.333 0.000 0.988 467 V HN 0.790 nan 8.190 nan 0.000 0.431 468 N N 3.724 122.536 118.700 0.187 0.000 2.372 468 N HA 0.688 5.429 4.740 0.002 0.000 0.291 468 N C -1.223 174.380 175.510 0.154 0.000 1.024 468 N CA -0.383 52.692 53.050 0.041 0.000 0.873 468 N CB 1.455 39.967 38.487 0.043 0.000 1.206 468 N HN 0.691 nan 8.380 nan 0.000 0.486 469 Y N 0.101 120.412 120.300 0.020 0.000 2.713 469 Y HA 0.553 5.104 4.550 0.002 0.000 0.335 469 Y C -1.156 174.740 175.900 -0.006 0.000 1.222 469 Y CA -1.234 56.870 58.100 0.007 0.000 1.061 469 Y CB 0.774 39.242 38.460 0.013 0.000 1.314 469 Y HN 0.195 nan 8.280 nan 0.000 0.453 470 I N 3.378 124.038 120.570 0.150 0.000 2.312 470 I HA 0.393 4.564 4.170 0.002 0.000 0.290 470 I C -0.710 175.467 176.117 0.101 0.000 1.008 470 I CA -0.372 60.960 61.300 0.054 0.000 1.226 470 I CB 0.916 38.934 38.000 0.028 0.000 1.371 470 I HN 0.410 nan 8.210 nan 0.000 0.468 471 L N 4.932 126.181 121.223 0.044 0.000 2.330 471 L HA 0.576 4.917 4.340 0.002 0.000 0.271 471 L C 0.027 176.894 176.870 -0.005 0.000 1.013 471 L CA -0.517 54.355 54.840 0.054 0.000 0.816 471 L CB 2.074 44.163 42.059 0.051 0.000 1.287 471 L HN 0.514 nan 8.230 nan 0.000 0.435 472 S N 1.539 117.246 115.700 0.011 0.000 2.513 472 S HA 0.621 5.092 4.470 0.002 0.000 0.299 472 S C -2.580 172.033 174.600 0.022 0.000 1.087 472 S CA -1.445 56.747 58.200 -0.012 0.000 1.012 472 S CB 1.858 65.064 63.200 0.012 0.000 1.044 472 S HN 0.234 nan 8.310 nan 0.000 0.485 473 P HA 0.341 nan 4.420 nan 0.000 0.267 473 P C -1.314 175.861 177.300 -0.209 0.000 1.201 473 P CA 0.065 63.074 63.100 -0.153 0.000 0.775 473 P CB 0.457 32.026 31.700 -0.219 0.000 0.854 474 A N 1.903 124.561 122.820 -0.271 0.000 2.606 474 A HA 0.687 5.008 4.320 0.002 0.000 0.293 474 A C -1.545 175.813 177.584 -0.377 0.000 1.082 474 A CA -0.523 51.351 52.037 -0.272 0.000 0.685 474 A CB 0.871 19.785 19.000 -0.142 0.000 1.284 474 A HN 0.348 nan 8.150 nan 0.000 0.408 475 F N 1.122 120.975 119.950 -0.162 0.000 2.410 475 F HA 0.635 5.163 4.527 0.002 0.000 0.349 475 F C 0.985 176.661 175.800 -0.207 0.000 1.117 475 F CA 0.137 58.034 58.000 -0.171 0.000 1.104 475 F CB 1.702 40.547 39.000 -0.258 0.000 1.122 475 F HN 0.558 nan 8.300 nan 0.000 0.483 476 R N 1.705 122.208 120.500 0.005 0.000 2.888 476 R HA 0.492 4.833 4.340 0.002 0.000 0.266 476 R C -1.500 174.758 176.300 -0.070 0.000 1.020 476 R CA -1.204 54.834 56.100 -0.103 0.000 0.963 476 R CB 1.598 31.875 30.300 -0.039 0.000 1.197 476 R HN 0.401 nan 8.270 nan 0.000 0.481 477 Y N 1.097 121.413 120.300 0.026 0.000 2.316 477 Y HA 0.198 4.749 4.550 0.002 0.000 0.324 477 Y C 0.531 176.428 175.900 -0.006 0.000 1.267 477 Y CA -0.194 57.914 58.100 0.013 0.000 1.311 477 Y CB 0.979 39.432 38.460 -0.011 0.000 1.267 477 Y HN 0.453 nan 8.280 nan 0.000 0.516 478 Q N 0.968 120.862 119.800 0.157 0.000 2.511 478 Q HA 0.627 4.969 4.340 0.002 0.000 0.289 478 Q C -3.184 172.784 176.000 -0.052 0.000 1.021 478 Q CA -2.500 53.326 55.803 0.037 0.000 0.785 478 Q CB 2.326 31.080 28.738 0.026 0.000 1.472 478 Q HN 0.240 nan 8.270 nan 0.000 0.411 479 P HA 0.101 nan 4.420 nan 0.000 0.269 479 P C -1.077 176.016 177.300 -0.345 0.000 1.215 479 P CA -0.032 62.943 63.100 -0.208 0.000 0.780 479 P CB 0.358 31.950 31.700 -0.180 0.000 0.898 480 D N 3.182 123.243 120.400 -0.565 0.000 2.390 480 D HA 0.034 4.675 4.640 0.002 0.000 0.249 480 D C -1.001 174.724 176.300 -0.957 0.000 1.144 480 D CA -1.406 51.984 54.000 -1.016 0.000 0.880 480 D CB 0.052 39.809 40.800 -1.738 0.000 1.182 480 D HN 0.286 nan 8.370 nan 0.000 0.451 481 P HA -0.112 nan 4.420 nan 0.000 0.222 481 P C 0.127 177.177 177.300 -0.417 0.000 1.142 481 P CA 0.945 63.722 63.100 -0.539 0.000 0.788 481 P CB 0.076 31.483 31.700 -0.489 0.000 0.767 482 W N 0.000 120.936 121.300 -0.607 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.139 57.345 -0.343 0.000 1.226 482 W CB 0.000 29.216 29.460 -0.407 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535