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 1ed4_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 0.000 176.279 176.600 -0.534 0.000 0.988 69 K CA 0.000 56.005 56.287 -0.469 0.000 0.838 69 K CB 0.000 32.076 32.500 -0.707 0.000 1.064 70 F N 5.225 125.184 119.950 0.015 0.000 2.385 70 F HA 0.356 4.884 4.527 0.002 0.000 0.360 70 F C -2.077 173.809 175.800 0.142 0.000 1.122 70 F CA -2.157 55.874 58.000 0.052 0.000 1.090 70 F CB 0.728 39.753 39.000 0.043 0.000 1.150 70 F HN -0.036 nan 8.300 nan 0.000 0.472 71 P HA 0.058 nan 4.420 nan 0.000 0.268 71 P C -0.692 176.717 177.300 0.182 0.000 1.205 71 P CA -0.423 62.789 63.100 0.186 0.000 0.771 71 P CB 1.076 32.848 31.700 0.119 0.000 0.858 72 R N 2.116 122.656 120.500 0.065 0.000 2.265 72 R HA 0.390 4.731 4.340 0.002 0.000 0.314 72 R C -0.909 175.282 176.300 -0.183 0.000 1.053 72 R CA -0.547 55.383 56.100 -0.284 0.000 0.931 72 R CB 0.536 30.706 30.300 -0.216 0.000 1.024 72 R HN 0.281 nan 8.270 nan 0.000 0.457 73 V N 5.373 125.141 119.914 -0.245 0.000 2.378 73 V HA 0.320 4.441 4.120 0.002 0.000 0.288 73 V C -0.195 175.812 176.094 -0.145 0.000 1.016 73 V CA -0.684 61.554 62.300 -0.103 0.000 0.840 73 V CB 1.380 33.185 31.823 -0.030 0.000 0.994 73 V HN 0.705 nan 8.190 nan 0.000 0.431 74 K N 3.976 124.309 120.400 -0.111 0.000 2.203 74 K HA 0.436 4.757 4.320 0.002 0.000 0.251 74 K C -0.580 175.928 176.600 -0.153 0.000 0.944 74 K CA -0.715 55.431 56.287 -0.236 0.000 0.829 74 K CB 1.452 33.660 32.500 -0.487 0.000 1.125 74 K HN 0.695 nan 8.250 nan 0.000 0.430 75 N N 3.980 122.576 118.700 -0.174 0.000 2.469 75 N HA 0.099 4.840 4.740 0.002 0.000 0.253 75 N C -0.250 175.211 175.510 -0.083 0.000 0.970 75 N CA -0.370 52.685 53.050 0.009 0.000 0.940 75 N CB 0.499 39.012 38.487 0.045 0.000 1.128 75 N HN 0.667 nan 8.380 nan 0.000 0.503 76 W N 2.147 123.521 121.300 0.123 0.000 2.595 76 W HA 0.074 4.735 4.660 0.002 0.000 0.257 76 W C 2.083 178.649 176.519 0.078 0.000 1.267 76 W CA 0.046 57.456 57.345 0.108 0.000 1.300 76 W CB 0.216 29.763 29.460 0.144 0.000 1.120 76 W HN 0.672 nan 8.180 nan 0.000 0.618 77 E N 0.477 120.816 120.200 0.231 0.000 2.076 77 E HA -0.119 4.232 4.350 0.002 0.000 0.190 77 E C 1.724 178.348 176.600 0.040 0.000 0.979 77 E CA 1.064 57.505 56.400 0.067 0.000 0.807 77 E CB -0.237 29.473 29.700 0.017 0.000 0.761 77 E HN 0.256 nan 8.360 nan 0.000 0.454 78 L N -0.905 120.339 121.223 0.035 0.000 2.590 78 L HA 0.327 4.668 4.340 0.002 0.000 0.227 78 L C 1.556 178.402 176.870 -0.039 0.000 1.099 78 L CA 0.383 55.223 54.840 0.001 0.000 0.872 78 L CB 0.512 42.575 42.059 0.008 0.000 1.088 78 L HN 0.444 nan 8.230 nan 0.000 0.479 79 G N 0.653 109.401 108.800 -0.086 0.000 2.184 79 G HA2 -0.320 3.641 3.960 0.002 0.000 0.264 79 G HA3 -0.320 3.641 3.960 0.002 0.000 0.264 79 G C 0.430 175.230 174.900 -0.166 0.000 0.975 79 G CA 0.494 45.498 45.100 -0.160 0.000 0.642 79 G HN 0.472 nan 8.290 nan 0.000 0.536 80 S N -0.400 115.227 115.700 -0.123 0.000 2.585 80 S HA 0.740 5.212 4.470 0.002 0.000 0.273 80 S C 0.151 174.660 174.600 -0.152 0.000 1.339 80 S CA -0.342 57.794 58.200 -0.107 0.000 1.028 80 S CB 2.071 65.234 63.200 -0.063 0.000 0.906 80 S HN 0.592 nan 8.310 nan 0.000 0.528 81 I N 1.448 121.931 120.570 -0.145 0.000 2.730 81 I HA 0.563 4.734 4.170 0.002 0.000 0.298 81 I C -0.046 175.958 176.117 -0.188 0.000 1.089 81 I CA -0.546 60.631 61.300 -0.205 0.000 1.041 81 I CB 2.721 40.573 38.000 -0.246 0.000 1.235 81 I HN 0.990 nan 8.210 nan 0.000 0.423 82 T N 0.434 114.833 114.554 -0.258 0.000 2.841 82 T HA 0.620 4.971 4.350 0.002 0.000 0.296 82 T C -1.389 173.105 174.700 -0.344 0.000 1.166 82 T CA -0.812 61.181 62.100 -0.177 0.000 1.007 82 T CB 1.677 70.501 68.868 -0.073 0.000 1.253 82 T HN 0.303 nan 8.240 nan 0.000 0.511 83 Y N 0.173 120.466 120.300 -0.011 0.000 2.361 83 Y HA 0.457 5.008 4.550 0.002 0.000 0.337 83 Y C -0.138 175.762 175.900 0.001 0.000 0.965 83 Y CA -0.924 57.182 58.100 0.009 0.000 1.091 83 Y CB 1.784 40.239 38.460 -0.008 0.000 1.182 83 Y HN 0.719 nan 8.280 nan 0.000 0.450 84 D N 2.138 122.646 120.400 0.180 0.000 2.339 84 D HA 0.073 4.714 4.640 0.002 0.000 0.241 84 D C 0.751 177.138 176.300 0.146 0.000 1.183 84 D CA 0.209 54.289 54.000 0.134 0.000 0.859 84 D CB 1.296 42.186 40.800 0.150 0.000 1.067 84 D HN 0.798 nan 8.370 nan 0.000 0.484 85 T N 1.078 115.641 114.554 0.015 0.000 2.990 85 T HA -0.046 4.305 4.350 0.002 0.000 0.250 85 T C 1.853 176.560 174.700 0.012 0.000 1.041 85 T CA -0.242 61.812 62.100 -0.076 0.000 1.010 85 T CB 0.080 68.690 68.868 -0.431 0.000 1.003 85 T HN 0.248 nan 8.240 nan 0.000 0.499 86 L N 2.581 123.799 121.223 -0.009 0.000 2.083 86 L HA 0.026 4.367 4.340 0.002 0.000 0.209 86 L C 2.691 179.464 176.870 -0.161 0.000 1.083 86 L CA 1.442 56.277 54.840 -0.008 0.000 0.752 86 L CB -0.985 41.132 42.059 0.097 0.000 0.899 86 L HN 0.674 nan 8.230 nan 0.000 0.433 87 C N -1.419 117.592 119.300 -0.483 0.000 2.401 87 C HA -0.055 4.406 4.460 0.002 0.000 0.286 87 C C 2.787 177.556 174.990 -0.367 0.000 1.332 87 C CA 0.247 58.669 59.018 -0.994 0.000 1.795 87 C CB -2.313 24.833 27.740 -0.991 0.000 1.922 87 C HN 0.585 nan 8.230 nan 0.000 0.520 88 A N -0.147 122.608 122.820 -0.109 0.000 2.067 88 A HA -0.099 4.223 4.320 0.002 0.000 0.219 88 A C 2.272 179.848 177.584 -0.015 0.000 1.158 88 A CA 1.378 53.408 52.037 -0.012 0.000 0.661 88 A CB -0.497 18.599 19.000 0.161 0.000 0.801 88 A HN 0.690 nan 8.150 nan 0.000 0.452 89 Q N 0.169 119.960 119.800 -0.016 0.000 2.444 89 Q HA 0.055 4.396 4.340 0.002 0.000 0.206 89 Q C 0.603 176.620 176.000 0.030 0.000 0.948 89 Q CA 0.233 56.048 55.803 0.019 0.000 0.946 89 Q CB -0.207 28.554 28.738 0.039 0.000 1.027 89 Q HN 0.512 nan 8.270 nan 0.000 0.513 90 S N 0.766 116.470 115.700 0.005 0.000 2.531 90 S HA 0.045 4.516 4.470 0.002 0.000 0.279 90 S C 0.858 175.478 174.600 0.035 0.000 1.305 90 S CA -0.069 58.161 58.200 0.050 0.000 1.058 90 S CB 0.539 63.774 63.200 0.058 0.000 0.899 90 S HN 0.117 nan 8.310 nan 0.000 0.493 91 Q N 2.061 121.888 119.800 0.045 0.000 2.214 91 Q HA 0.221 4.562 4.340 0.002 0.000 0.229 91 Q C -0.132 175.887 176.000 0.031 0.000 0.835 91 Q CA 0.095 55.918 55.803 0.033 0.000 0.953 91 Q CB 0.488 29.248 28.738 0.037 0.000 1.131 91 Q HN 0.746 nan 8.270 nan 0.000 0.501 92 Q N 1.306 121.129 119.800 0.038 0.000 2.312 92 Q HA 0.279 4.620 4.340 0.002 0.000 0.263 92 Q C -1.348 174.675 176.000 0.038 0.000 0.995 92 Q CA -0.269 55.553 55.803 0.032 0.000 0.853 92 Q CB 1.263 30.017 28.738 0.026 0.000 1.300 92 Q HN -0.174 nan 8.270 nan 0.000 0.448 93 D N 2.094 122.512 120.400 0.029 0.000 2.255 93 D HA 0.463 5.104 4.640 0.002 0.000 0.249 93 D C 0.096 176.416 176.300 0.034 0.000 1.078 93 D CA 0.127 54.146 54.000 0.031 0.000 0.896 93 D CB 1.402 42.215 40.800 0.022 0.000 1.194 93 D HN 0.685 nan 8.370 nan 0.000 0.429 94 G N 0.818 109.644 108.800 0.042 0.000 2.531 94 G HA2 0.338 4.299 3.960 0.002 0.000 0.281 94 G HA3 0.338 4.299 3.960 0.002 0.000 0.281 94 G C -1.585 173.336 174.900 0.035 0.000 1.382 94 G CA -0.627 44.498 45.100 0.042 0.000 1.045 94 G HN 0.374 nan 8.290 nan 0.000 0.533 95 P HA 0.188 nan 4.420 nan 0.000 0.257 95 P C 0.196 177.514 177.300 0.029 0.000 1.241 95 P CA -0.093 63.026 63.100 0.032 0.000 0.816 95 P CB 0.180 31.901 31.700 0.035 0.000 1.150 96 C N 0.816 120.135 119.300 0.032 0.000 2.443 96 C HA 0.636 5.098 4.460 0.002 0.000 0.369 96 C C 1.027 176.029 174.990 0.021 0.000 1.241 96 C CA 0.187 59.222 59.018 0.028 0.000 2.413 96 C CB 0.957 28.717 27.740 0.033 0.000 2.451 96 C HN 0.374 nan 8.230 nan 0.000 0.595 97 T N -1.771 112.792 114.554 0.016 0.000 2.843 97 T HA 0.415 4.766 4.350 0.002 0.000 0.302 97 T C -2.547 172.157 174.700 0.008 0.000 1.232 97 T CA -1.058 61.048 62.100 0.010 0.000 1.009 97 T CB 1.299 70.171 68.868 0.008 0.000 1.254 97 T HN 0.263 nan 8.240 nan 0.000 0.504 98 P HA 0.042 nan 4.420 nan 0.000 0.222 98 P C 1.465 178.766 177.300 0.001 0.000 1.147 98 P CA 0.555 63.656 63.100 0.002 0.000 0.790 98 P CB 0.146 31.845 31.700 -0.002 0.000 0.780 99 R N -0.079 120.422 120.500 0.002 0.000 2.075 99 R HA -0.034 4.307 4.340 0.002 0.000 0.226 99 R C 0.583 176.884 176.300 0.002 0.000 1.114 99 R CA 0.891 56.992 56.100 0.002 0.000 0.972 99 R CB 0.198 30.499 30.300 0.002 0.000 0.869 99 R HN 0.073 nan 8.270 nan 0.000 0.437 100 R N -0.148 120.355 120.500 0.005 0.000 2.643 100 R HA 0.163 4.504 4.340 0.002 0.000 0.269 100 R C -1.755 174.551 176.300 0.010 0.000 1.037 100 R CA -0.726 55.377 56.100 0.006 0.000 0.894 100 R CB 0.250 30.553 30.300 0.006 0.000 1.238 100 R HN 0.098 nan 8.270 nan 0.000 0.459 101 C N 4.130 123.436 119.300 0.010 0.000 2.307 101 C HA 0.571 5.032 4.460 0.002 0.000 0.340 101 C C 0.711 175.715 174.990 0.023 0.000 1.275 101 C CA -0.688 58.340 59.018 0.016 0.000 1.811 101 C CB -0.768 26.978 27.740 0.010 0.000 2.372 101 C HN 0.783 nan 8.230 nan 0.000 0.531 102 L N 5.859 127.101 121.223 0.032 0.000 3.110 102 L HA 0.289 4.630 4.340 0.002 0.000 0.266 102 L C 2.024 178.928 176.870 0.056 0.000 1.257 102 L CA 0.215 55.079 54.840 0.039 0.000 1.038 102 L CB -0.156 41.924 42.059 0.035 0.000 1.395 102 L HN 1.032 nan 8.230 nan 0.000 0.566 103 G N 0.440 109.276 108.800 0.060 0.000 2.479 103 G HA2 -0.268 3.693 3.960 0.002 0.000 0.220 103 G HA3 -0.268 3.693 3.960 0.002 0.000 0.220 103 G C 1.611 176.583 174.900 0.121 0.000 1.115 103 G CA 1.187 46.337 45.100 0.083 0.000 0.757 103 G HN 0.522 nan 8.290 nan 0.000 0.560 104 S N -0.567 115.203 115.700 0.115 0.000 2.562 104 S HA 0.284 4.755 4.470 0.002 0.000 0.221 104 S C 0.736 175.434 174.600 0.163 0.000 0.975 104 S CA -0.424 57.868 58.200 0.154 0.000 0.918 104 S CB -0.047 63.221 63.200 0.114 0.000 0.772 104 S HN -0.005 nan 8.310 nan 0.000 0.531 105 L N 2.410 123.706 121.223 0.122 0.000 2.455 105 L HA 0.204 4.545 4.340 0.002 0.000 0.272 105 L C 1.415 178.372 176.870 0.144 0.000 1.174 105 L CA 0.210 55.114 54.840 0.108 0.000 0.869 105 L CB 0.650 42.749 42.059 0.068 0.000 1.130 105 L HN -0.010 nan 8.230 nan 0.000 0.474 106 V N 3.663 123.670 119.914 0.156 0.000 2.244 106 V HA -0.114 4.007 4.120 0.002 0.000 0.244 106 V C 0.880 177.001 176.094 0.046 0.000 1.042 106 V CA 1.190 63.602 62.300 0.188 0.000 1.006 106 V CB -0.347 31.596 31.823 0.200 0.000 0.641 106 V HN 0.482 nan 8.190 nan 0.000 0.446 107 L N -0.068 121.134 121.223 -0.036 0.000 2.334 107 L HA 0.468 4.809 4.340 0.002 0.000 0.272 107 L C -2.400 174.474 176.870 0.007 0.000 1.020 107 L CA -1.832 52.950 54.840 -0.098 0.000 0.812 107 L CB 0.810 42.747 42.059 -0.203 0.000 1.264 107 L HN 0.090 nan 8.230 nan 0.000 0.439 108 P HA 0.240 nan 4.420 nan 0.000 0.274 108 P C -0.170 177.142 177.300 0.019 0.000 1.231 108 P CA -0.592 62.536 63.100 0.048 0.000 0.790 108 P CB 1.040 32.783 31.700 0.072 0.000 0.951 109 R N 1.854 122.364 120.500 0.016 0.000 2.112 109 R HA 0.024 4.365 4.340 0.002 0.000 0.216 109 R C 1.530 177.833 176.300 0.005 0.000 1.080 109 R CA 1.656 57.759 56.100 0.006 0.000 0.996 109 R CB -0.073 30.232 30.300 0.007 0.000 0.902 109 R HN 0.224 nan 8.270 nan 0.000 0.449 110 K N -1.546 118.860 120.400 0.011 0.000 2.504 110 K HA 0.215 4.536 4.320 0.002 0.000 0.203 110 K C 0.578 177.186 176.600 0.014 0.000 1.350 110 K CA 0.197 56.489 56.287 0.008 0.000 0.953 110 K CB 0.179 32.684 32.500 0.007 0.000 1.243 110 K HN 0.041 nan 8.250 nan 0.000 0.534 111 L N 2.703 123.939 121.223 0.023 0.000 2.955 111 L HA 0.020 4.361 4.340 0.002 0.000 0.260 111 L C 1.048 177.938 176.870 0.034 0.000 1.146 111 L CA 0.906 55.762 54.840 0.027 0.000 0.905 111 L CB -1.661 40.419 42.059 0.034 0.000 1.136 111 L HN 0.320 nan 8.230 nan 0.000 0.438 112 Q N 0.010 119.828 119.800 0.029 0.000 2.552 112 Q HA 0.103 4.444 4.340 0.002 0.000 0.191 112 Q C 0.037 176.047 176.000 0.016 0.000 1.171 112 Q CA 0.742 56.563 55.803 0.031 0.000 1.183 112 Q CB 0.391 29.134 28.738 0.009 0.000 2.088 112 Q HN 0.224 nan 8.270 nan 0.000 0.621 113 T N 1.577 116.134 114.554 0.005 0.000 3.296 113 T HA 0.357 4.708 4.350 0.002 0.000 0.333 113 T C -0.821 173.868 174.700 -0.019 0.000 1.280 113 T CA -0.651 61.445 62.100 -0.006 0.000 1.558 113 T CB 0.387 69.253 68.868 -0.003 0.000 0.929 113 T HN 0.306 nan 8.240 nan 0.000 0.596 114 R N 2.131 122.620 120.500 -0.019 0.000 2.862 114 R HA 0.096 4.437 4.340 0.002 0.000 0.267 114 R C -2.105 174.179 176.300 -0.027 0.000 0.995 114 R CA -0.958 55.127 56.100 -0.024 0.000 1.140 114 R CB -0.334 29.955 30.300 -0.019 0.000 1.031 114 R HN 0.304 nan 8.270 nan 0.000 0.459 115 P HA -0.076 nan 4.420 nan 0.000 0.271 115 P C -0.128 177.158 177.300 -0.024 0.000 1.228 115 P CA 0.411 63.495 63.100 -0.027 0.000 0.797 115 P CB 0.440 32.126 31.700 -0.024 0.000 0.914 116 S N 0.514 116.200 115.700 -0.022 0.000 2.617 116 S HA 0.272 4.743 4.470 0.002 0.000 0.237 116 S C -1.658 172.933 174.600 -0.016 0.000 1.142 116 S CA -1.067 57.119 58.200 -0.023 0.000 1.167 116 S CB -0.319 62.861 63.200 -0.033 0.000 1.068 116 S HN 0.296 nan 8.310 nan 0.000 0.470 117 P HA 0.239 nan 4.420 nan 0.000 0.231 117 P C 0.738 178.035 177.300 -0.004 0.000 1.168 117 P CA 0.431 63.527 63.100 -0.006 0.000 0.779 117 P CB 0.062 31.759 31.700 -0.005 0.000 0.844 118 G N 1.188 109.984 108.800 -0.007 0.000 2.519 118 G HA2 0.534 4.496 3.960 0.002 0.000 0.307 118 G HA3 0.534 4.496 3.960 0.002 0.000 0.307 118 G C -3.023 171.872 174.900 -0.007 0.000 1.266 118 G CA -1.603 43.494 45.100 -0.004 0.000 0.970 118 G HN -0.157 nan 8.290 nan 0.000 0.481 119 P HA 0.209 nan 4.420 nan 0.000 0.271 119 P C -2.282 175.015 177.300 -0.004 0.000 1.220 119 P CA -0.751 62.346 63.100 -0.005 0.000 0.768 119 P CB 0.824 32.526 31.700 0.004 0.000 0.848 120 P HA 0.222 nan 4.420 nan 0.000 0.271 120 P C -2.494 174.809 177.300 0.004 0.000 1.218 120 P CA -1.451 61.646 63.100 -0.004 0.000 0.780 120 P CB -0.956 30.738 31.700 -0.009 0.000 0.901 121 P HA -0.064 nan 4.420 nan 0.000 0.258 121 P C 0.975 178.282 177.300 0.012 0.000 1.172 121 P CA 0.453 63.557 63.100 0.007 0.000 0.762 121 P CB 0.069 31.773 31.700 0.006 0.000 0.764 122 A N 4.645 127.473 122.820 0.012 0.000 1.917 122 A HA -0.269 4.053 4.320 0.002 0.000 0.219 122 A C 1.926 179.517 177.584 0.011 0.000 1.182 122 A CA 1.671 53.717 52.037 0.015 0.000 0.633 122 A CB -0.771 18.236 19.000 0.012 0.000 0.819 122 A HN 0.608 nan 8.150 nan 0.000 0.448 123 E N -1.211 118.993 120.200 0.007 0.000 2.051 123 E HA -0.256 4.095 4.350 0.002 0.000 0.192 123 E C 2.286 178.892 176.600 0.009 0.000 0.991 123 E CA 1.434 57.837 56.400 0.005 0.000 0.799 123 E CB -0.169 29.534 29.700 0.004 0.000 0.748 123 E HN 0.701 nan 8.360 nan 0.000 0.449 124 Q N 1.229 121.036 119.800 0.012 0.000 2.020 124 Q HA -0.165 4.176 4.340 0.002 0.000 0.202 124 Q C 2.128 178.143 176.000 0.026 0.000 0.982 124 Q CA 1.107 56.920 55.803 0.017 0.000 0.838 124 Q CB -0.452 28.294 28.738 0.014 0.000 0.899 124 Q HN 0.236 nan 8.270 nan 0.000 0.423 125 L N -0.041 121.201 121.223 0.030 0.000 2.012 125 L HA -0.133 4.209 4.340 0.002 0.000 0.210 125 L C 2.127 179.024 176.870 0.045 0.000 1.073 125 L CA 1.841 56.714 54.840 0.055 0.000 0.748 125 L CB -1.127 40.972 42.059 0.067 0.000 0.891 125 L HN 0.468 nan 8.230 nan 0.000 0.431 126 L N -0.524 120.706 121.223 0.011 0.000 2.042 126 L HA -0.195 4.146 4.340 0.002 0.000 0.210 126 L C 2.748 179.612 176.870 -0.010 0.000 1.076 126 L CA 2.189 57.013 54.840 -0.026 0.000 0.749 126 L CB -0.894 41.150 42.059 -0.025 0.000 0.893 126 L HN 0.625 nan 8.230 nan 0.000 0.432 127 S N -1.764 113.943 115.700 0.013 0.000 2.383 127 S HA -0.226 4.245 4.470 0.002 0.000 0.227 127 S C 1.892 176.524 174.600 0.054 0.000 1.026 127 S CA 1.087 59.303 58.200 0.026 0.000 0.981 127 S CB -0.626 62.589 63.200 0.025 0.000 0.818 127 S HN 0.644 nan 8.310 nan 0.000 0.472 128 Q N 1.162 121.001 119.800 0.065 0.000 2.079 128 Q HA 0.078 4.419 4.340 0.002 0.000 0.200 128 Q C 2.640 178.734 176.000 0.158 0.000 0.974 128 Q CA 1.322 57.186 55.803 0.102 0.000 0.840 128 Q CB -0.529 28.262 28.738 0.088 0.000 0.898 128 Q HN 0.756 nan 8.270 nan 0.000 0.430 129 A N 1.298 124.188 122.820 0.117 0.000 1.877 129 A HA -0.214 4.107 4.320 0.002 0.000 0.216 129 A C 2.014 179.670 177.584 0.120 0.000 1.186 129 A CA 1.402 53.495 52.037 0.093 0.000 0.620 129 A CB -0.443 18.364 19.000 -0.322 0.000 0.822 129 A HN 0.197 nan 8.150 nan 0.000 0.443 130 R N -0.676 119.854 120.500 0.050 0.000 2.083 130 R HA -0.185 4.156 4.340 0.002 0.000 0.237 130 R C 2.092 178.468 176.300 0.126 0.000 1.137 130 R CA 1.752 57.893 56.100 0.068 0.000 0.951 130 R CB -0.495 29.821 30.300 0.027 0.000 0.851 130 R HN 0.725 nan 8.270 nan 0.000 0.434 131 D N -0.050 120.431 120.400 0.134 0.000 2.104 131 D HA -0.230 4.411 4.640 0.002 0.000 0.194 131 D C 1.655 178.073 176.300 0.197 0.000 0.994 131 D CA 1.245 55.333 54.000 0.147 0.000 0.830 131 D CB -0.110 40.774 40.800 0.140 0.000 0.959 131 D HN 0.151 nan 8.370 nan 0.000 0.452 132 F N 0.780 120.816 119.950 0.144 0.000 2.102 132 F HA -0.091 4.437 4.527 0.002 0.000 0.298 132 F C 2.000 177.945 175.800 0.241 0.000 1.105 132 F CA 1.076 59.198 58.000 0.203 0.000 1.239 132 F CB -0.277 38.847 39.000 0.207 0.000 0.991 132 F HN -0.005 nan 8.300 nan 0.000 0.474 133 I N 0.983 121.585 120.570 0.054 0.000 2.264 133 I HA -0.313 3.858 4.170 0.002 0.000 0.248 133 I C 1.986 178.137 176.117 0.056 0.000 1.111 133 I CA 1.222 62.552 61.300 0.049 0.000 1.382 133 I CB -1.631 36.498 38.000 0.216 0.000 1.060 133 I HN 0.257 nan 8.210 nan 0.000 0.418 134 N N 0.827 119.580 118.700 0.090 0.000 2.120 134 N HA -0.179 4.562 4.740 0.002 0.000 0.188 134 N C 1.849 177.307 175.510 -0.086 0.000 1.024 134 N CA 1.052 54.138 53.050 0.060 0.000 0.852 134 N CB -0.302 38.262 38.487 0.128 0.000 1.003 134 N HN 0.501 nan 8.380 nan 0.000 0.424 135 Q N -0.395 119.361 119.800 -0.073 0.000 2.030 135 Q HA -0.191 4.150 4.340 0.002 0.000 0.204 135 Q C 1.855 177.636 176.000 -0.366 0.000 0.986 135 Q CA 1.395 57.160 55.803 -0.064 0.000 0.843 135 Q CB -0.302 28.531 28.738 0.157 0.000 0.904 135 Q HN 0.435 nan 8.270 nan 0.000 0.420 136 Y N 0.122 119.964 120.300 -0.764 0.000 2.097 136 Y HA -0.317 4.234 4.550 0.002 0.000 0.282 136 Y C 1.796 177.163 175.900 -0.889 0.000 1.152 136 Y CA 1.768 59.142 58.100 -1.210 0.000 1.136 136 Y CB -0.583 37.267 38.460 -1.017 0.000 0.975 136 Y HN 0.114 nan 8.280 nan 0.000 0.498 137 Y N -0.316 119.539 120.300 -0.742 0.000 2.352 137 Y HA -0.186 4.365 4.550 0.002 0.000 0.292 137 Y C 2.734 178.287 175.900 -0.578 0.000 1.136 137 Y CA 1.601 59.254 58.100 -0.745 0.000 1.227 137 Y CB -0.442 37.513 38.460 -0.842 0.000 0.991 137 Y HN 0.108 nan 8.280 nan 0.000 0.545 138 S N -0.769 114.709 115.700 -0.369 0.000 2.383 138 S HA -0.191 4.280 4.470 0.002 0.000 0.227 138 S C 2.259 176.695 174.600 -0.273 0.000 1.026 138 S CA 1.251 59.309 58.200 -0.237 0.000 0.981 138 S CB -0.536 62.579 63.200 -0.143 0.000 0.818 138 S HN 0.638 nan 8.310 nan 0.000 0.472 139 S N 2.503 117.947 115.700 -0.427 0.000 2.419 139 S HA -0.055 4.416 4.470 0.002 0.000 0.233 139 S C 1.540 175.923 174.600 -0.362 0.000 1.016 139 S CA 1.045 59.027 58.200 -0.364 0.000 0.974 139 S CB -0.805 62.065 63.200 -0.549 0.000 0.786 139 S HN 0.727 nan 8.310 nan 0.000 0.492 140 I N -2.452 117.808 120.570 -0.517 0.000 3.891 140 I HA 0.435 4.606 4.170 0.002 0.000 0.331 140 I C -0.086 175.882 176.117 -0.249 0.000 1.406 140 I CA -0.699 60.362 61.300 -0.397 0.000 1.139 140 I CB -0.554 37.117 38.000 -0.548 0.000 1.056 140 I HN -0.009 nan 8.210 nan 0.000 0.399 141 K N 1.889 122.167 120.400 -0.203 0.000 3.077 141 K HA -0.182 4.139 4.320 0.002 0.000 0.264 141 K C 0.192 176.741 176.600 -0.084 0.000 1.008 141 K CA 0.677 56.892 56.287 -0.119 0.000 0.740 141 K CB -1.372 31.077 32.500 -0.086 0.000 1.273 141 K HN 0.611 nan 8.250 nan 0.000 0.477 142 R N 0.009 120.461 120.500 -0.081 0.000 2.616 142 R HA 0.084 4.425 4.340 0.002 0.000 0.427 142 R C -0.023 176.315 176.300 0.063 0.000 1.030 142 R CA -0.188 55.922 56.100 0.018 0.000 1.133 142 R CB 1.224 31.573 30.300 0.082 0.000 1.444 142 R HN 0.164 nan 8.270 nan 0.000 0.578 143 S N -0.248 115.455 115.700 0.004 0.000 2.563 143 S HA 0.188 4.659 4.470 0.002 0.000 0.284 143 S C 1.477 176.172 174.600 0.159 0.000 1.331 143 S CA 1.419 59.655 58.200 0.060 0.000 1.047 143 S CB 0.637 63.851 63.200 0.022 0.000 0.859 143 S HN 0.678 nan 8.310 nan 0.000 0.514 144 G N 2.690 111.694 108.800 0.340 0.000 2.196 144 G HA2 -0.315 3.646 3.960 0.002 0.000 0.268 144 G HA3 -0.315 3.646 3.960 0.002 0.000 0.268 144 G C 0.347 175.258 174.900 0.020 0.000 0.975 144 G CA 0.822 45.969 45.100 0.079 0.000 0.648 144 G HN 1.653 nan 8.290 nan 0.000 0.538 145 S N -0.981 114.749 115.700 0.049 0.000 2.617 145 S HA 0.481 4.952 4.470 0.002 0.000 0.259 145 S C 1.277 175.859 174.600 -0.030 0.000 1.301 145 S CA 0.761 58.969 58.200 0.014 0.000 0.984 145 S CB 1.324 64.552 63.200 0.047 0.000 0.954 145 S HN 0.383 nan 8.310 nan 0.000 0.572 146 Q N 0.811 120.598 119.800 -0.022 0.000 2.119 146 Q HA 0.037 4.378 4.340 0.002 0.000 0.201 146 Q C 2.195 178.165 176.000 -0.050 0.000 0.972 146 Q CA 2.178 57.959 55.803 -0.036 0.000 0.847 146 Q CB -1.218 27.512 28.738 -0.014 0.000 0.903 146 Q HN 0.892 nan 8.270 nan 0.000 0.433 147 A N -0.474 122.336 122.820 -0.018 0.000 1.902 147 A HA -0.244 4.077 4.320 0.002 0.000 0.217 147 A C 2.101 179.530 177.584 -0.258 0.000 1.181 147 A CA 1.778 53.816 52.037 0.001 0.000 0.623 147 A CB -1.096 18.023 19.000 0.199 0.000 0.818 147 A HN 0.726 nan 8.150 nan 0.000 0.443 148 H N -0.439 118.205 119.070 -0.710 0.000 2.290 148 H HA -0.161 4.397 4.556 0.002 0.000 0.298 148 H C 2.131 177.149 175.328 -0.517 0.000 1.087 148 H CA 1.648 57.004 56.048 -1.154 0.000 1.291 148 H CB 0.028 29.327 29.762 -0.771 0.000 1.369 148 H HN 0.635 nan 8.280 nan 0.000 0.492 149 E N 0.339 120.352 120.200 -0.313 0.000 2.058 149 E HA -0.200 4.151 4.350 0.002 0.000 0.194 149 E C 2.212 178.713 176.600 -0.164 0.000 0.997 149 E CA 1.531 57.768 56.400 -0.271 0.000 0.801 149 E CB -0.048 29.541 29.700 -0.185 0.000 0.746 149 E HN 0.676 nan 8.360 nan 0.000 0.450 150 E N 0.386 120.519 120.200 -0.111 0.000 2.150 150 E HA -0.188 4.163 4.350 0.002 0.000 0.193 150 E C 2.144 178.729 176.600 -0.024 0.000 0.985 150 E CA 0.631 56.999 56.400 -0.052 0.000 0.814 150 E CB -0.048 29.640 29.700 -0.020 0.000 0.752 150 E HN -0.022 nan 8.360 nan 0.000 0.466 151 R N 1.514 121.998 120.500 -0.027 0.000 2.075 151 R HA -0.057 4.284 4.340 0.002 0.000 0.232 151 R C 2.113 178.431 176.300 0.029 0.000 1.126 151 R CA 1.071 57.204 56.100 0.055 0.000 0.963 151 R CB -0.616 29.780 30.300 0.159 0.000 0.858 151 R HN 0.152 nan 8.270 nan 0.000 0.435 152 L N 0.365 121.572 121.223 -0.026 0.000 2.079 152 L HA -0.212 4.129 4.340 0.002 0.000 0.210 152 L C 2.520 179.358 176.870 -0.053 0.000 1.081 152 L CA 1.670 56.482 54.840 -0.046 0.000 0.752 152 L CB -0.469 41.522 42.059 -0.114 0.000 0.896 152 L HN 0.341 nan 8.230 nan 0.000 0.433 153 Q N -0.251 119.519 119.800 -0.051 0.000 2.079 153 Q HA -0.218 4.123 4.340 0.002 0.000 0.200 153 Q C 2.091 178.082 176.000 -0.014 0.000 0.974 153 Q CA 1.432 57.213 55.803 -0.036 0.000 0.840 153 Q CB -0.116 28.602 28.738 -0.033 0.000 0.898 153 Q HN 0.559 nan 8.270 nan 0.000 0.430 154 E N 0.177 120.381 120.200 0.006 0.000 2.058 154 E HA -0.181 4.170 4.350 0.002 0.000 0.194 154 E C 2.151 178.768 176.600 0.028 0.000 0.997 154 E CA 1.483 57.903 56.400 0.034 0.000 0.801 154 E CB -0.057 29.682 29.700 0.064 0.000 0.746 154 E HN 0.119 nan 8.360 nan 0.000 0.450 155 V N 1.876 121.783 119.914 -0.011 0.000 2.295 155 V HA -0.249 3.872 4.120 0.002 0.000 0.246 155 V C 2.247 178.277 176.094 -0.108 0.000 1.049 155 V CA 1.745 63.976 62.300 -0.116 0.000 1.024 155 V CB -0.479 31.179 31.823 -0.274 0.000 0.648 155 V HN 0.234 nan 8.190 nan 0.000 0.447 156 E N 0.323 120.477 120.200 -0.077 0.000 2.058 156 E HA -0.245 4.106 4.350 0.002 0.000 0.194 156 E C 2.377 178.966 176.600 -0.019 0.000 0.997 156 E CA 1.625 57.993 56.400 -0.053 0.000 0.801 156 E CB -0.404 29.270 29.700 -0.044 0.000 0.746 156 E HN 0.589 nan 8.360 nan 0.000 0.450 157 A N 1.307 124.125 122.820 -0.003 0.000 1.902 157 A HA -0.229 4.092 4.320 0.002 0.000 0.217 157 A C 2.082 179.689 177.584 0.038 0.000 1.181 157 A CA 1.687 53.734 52.037 0.017 0.000 0.623 157 A CB -0.468 18.545 19.000 0.021 0.000 0.818 157 A HN 0.235 nan 8.150 nan 0.000 0.443 158 E N -0.456 119.779 120.200 0.060 0.000 2.072 158 E HA -0.106 4.245 4.350 0.002 0.000 0.191 158 E C 1.950 178.608 176.600 0.098 0.000 0.985 158 E CA 1.219 57.681 56.400 0.104 0.000 0.801 158 E CB -0.070 29.736 29.700 0.177 0.000 0.750 158 E HN 0.348 nan 8.360 nan 0.000 0.452 159 V N 1.079 121.037 119.914 0.072 0.000 2.295 159 V HA -0.261 3.860 4.120 0.002 0.000 0.246 159 V C 2.383 178.502 176.094 0.042 0.000 1.049 159 V CA 1.802 64.140 62.300 0.064 0.000 1.024 159 V CB -0.717 31.120 31.823 0.022 0.000 0.648 159 V HN 0.385 nan 8.190 nan 0.000 0.447 160 A N -0.515 122.320 122.820 0.026 0.000 1.940 160 A HA -0.200 4.121 4.320 0.002 0.000 0.219 160 A C 2.428 180.028 177.584 0.027 0.000 1.176 160 A CA 2.405 54.454 52.037 0.020 0.000 0.631 160 A CB -0.491 18.516 19.000 0.011 0.000 0.814 160 A HN 0.531 nan 8.150 nan 0.000 0.446 161 S N -1.466 114.255 115.700 0.036 0.000 2.456 161 S HA -0.024 4.447 4.470 0.002 0.000 0.224 161 S C 1.874 176.501 174.600 0.044 0.000 1.035 161 S CA 1.393 59.615 58.200 0.037 0.000 0.940 161 S CB 0.013 63.236 63.200 0.040 0.000 0.799 161 S HN 0.885 nan 8.310 nan 0.000 0.508 162 T N -2.717 111.871 114.554 0.058 0.000 2.975 162 T HA 0.467 4.818 4.350 0.002 0.000 0.257 162 T C 1.446 176.179 174.700 0.054 0.000 1.003 162 T CA 0.831 62.969 62.100 0.063 0.000 0.932 162 T CB 0.535 69.457 68.868 0.091 0.000 1.087 162 T HN 0.489 nan 8.240 nan 0.000 0.512 163 G N 0.316 109.147 108.800 0.052 0.000 2.179 163 G HA2 -0.192 3.769 3.960 0.002 0.000 0.260 163 G HA3 -0.192 3.769 3.960 0.002 0.000 0.260 163 G C 0.183 175.112 174.900 0.049 0.000 0.977 163 G CA 0.564 45.689 45.100 0.042 0.000 0.641 163 G HN 1.017 nan 8.290 nan 0.000 0.533 164 T N -1.466 113.130 114.554 0.069 0.000 2.671 164 T HA 0.722 5.073 4.350 0.002 0.000 0.300 164 T C -1.165 173.624 174.700 0.149 0.000 1.238 164 T CA 0.418 62.552 62.100 0.057 0.000 1.020 164 T CB 1.506 70.329 68.868 -0.075 0.000 1.503 164 T HN 1.547 nan 8.240 nan 0.000 0.497 165 Y N -0.846 119.347 120.300 -0.179 0.000 2.764 165 Y HA 0.821 5.372 4.550 0.002 0.000 0.331 165 Y C -1.718 173.946 175.900 -0.394 0.000 1.280 165 Y CA -1.195 56.836 58.100 -0.116 0.000 1.065 165 Y CB 0.878 39.336 38.460 -0.002 0.000 1.319 165 Y HN 0.774 nan 8.280 nan 0.000 0.453 166 H N 0.576 119.670 119.070 0.040 0.000 2.768 166 H HA 0.642 5.199 4.556 0.002 0.000 0.371 166 H C -1.082 174.287 175.328 0.069 0.000 1.151 166 H CA -0.808 55.203 56.048 -0.062 0.000 1.165 166 H CB 2.030 31.801 29.762 0.015 0.000 1.722 166 H HN 0.712 nan 8.280 nan 0.000 0.543 167 L N 2.206 123.496 121.223 0.111 0.000 2.399 167 L HA 0.460 4.801 4.340 0.002 0.000 0.266 167 L C 0.406 177.347 176.870 0.118 0.000 1.114 167 L CA -1.003 53.927 54.840 0.150 0.000 0.804 167 L CB 0.538 42.652 42.059 0.092 0.000 1.146 167 L HN 0.393 nan 8.230 nan 0.000 0.451 168 R N 1.010 121.559 120.500 0.081 0.000 2.500 168 R HA 0.079 4.420 4.340 0.002 0.000 0.275 168 R C 0.856 177.152 176.300 -0.008 0.000 1.051 168 R CA -0.361 55.759 56.100 0.032 0.000 1.088 168 R CB 0.719 31.023 30.300 0.006 0.000 1.063 168 R HN 0.672 nan 8.270 nan 0.000 0.511 169 E N 1.169 121.363 120.200 -0.009 0.000 2.097 169 E HA -0.236 4.115 4.350 0.002 0.000 0.196 169 E C 1.267 177.852 176.600 -0.025 0.000 1.000 169 E CA 2.186 58.571 56.400 -0.025 0.000 0.804 169 E CB 0.160 29.849 29.700 -0.017 0.000 0.740 169 E HN 0.658 nan 8.360 nan 0.000 0.454 170 S N 0.191 115.877 115.700 -0.024 0.000 2.383 170 S HA -0.221 4.251 4.470 0.002 0.000 0.229 170 S C 1.772 176.351 174.600 -0.036 0.000 1.030 170 S CA 1.432 59.635 58.200 0.005 0.000 1.002 170 S CB -0.380 62.846 63.200 0.042 0.000 0.829 170 S HN 0.389 nan 8.310 nan 0.000 0.467 171 E N 0.895 120.956 120.200 -0.233 0.000 2.107 171 E HA 0.011 4.362 4.350 0.002 0.000 0.191 171 E C 2.038 178.759 176.600 0.201 0.000 0.982 171 E CA 0.902 57.177 56.400 -0.209 0.000 0.809 171 E CB -0.314 29.272 29.700 -0.190 0.000 0.756 171 E HN 0.439 nan 8.360 nan 0.000 0.459 172 L N 0.896 122.146 121.223 0.045 0.000 2.046 172 L HA -0.150 4.191 4.340 0.002 0.000 0.208 172 L C 2.171 179.026 176.870 -0.025 0.000 1.077 172 L CA 1.344 56.151 54.840 -0.055 0.000 0.747 172 L CB -0.257 41.705 42.059 -0.162 0.000 0.896 172 L HN -0.064 nan 8.230 nan 0.000 0.432 173 V N -0.405 119.525 119.914 0.026 0.000 2.295 173 V HA -0.315 3.806 4.120 0.002 0.000 0.246 173 V C 2.340 178.523 176.094 0.149 0.000 1.049 173 V CA 2.196 64.523 62.300 0.047 0.000 1.024 173 V CB -0.973 30.880 31.823 0.051 0.000 0.648 173 V HN 0.580 nan 8.190 nan 0.000 0.447 174 F N 2.114 122.143 119.950 0.131 0.000 2.134 174 F HA -0.055 4.473 4.527 0.002 0.000 0.299 174 F C 2.163 178.104 175.800 0.235 0.000 1.097 174 F CA 1.734 59.865 58.000 0.218 0.000 1.264 174 F CB -0.944 38.256 39.000 0.333 0.000 1.001 174 F HN 0.122 nan 8.300 nan 0.000 0.479 175 G N -0.189 108.701 108.800 0.149 0.000 2.418 175 G HA2 -0.218 3.743 3.960 0.002 0.000 0.217 175 G HA3 -0.218 3.743 3.960 0.002 0.000 0.217 175 G C 1.828 176.601 174.900 -0.211 0.000 1.158 175 G CA 0.883 45.959 45.100 -0.040 0.000 0.771 175 G HN 0.649 nan 8.290 nan 0.000 0.545 176 A N 0.925 123.653 122.820 -0.153 0.000 1.877 176 A HA -0.009 4.312 4.320 0.002 0.000 0.216 176 A C 2.312 179.887 177.584 -0.016 0.000 1.186 176 A CA 1.977 53.929 52.037 -0.141 0.000 0.620 176 A CB -0.361 18.593 19.000 -0.078 0.000 0.822 176 A HN 0.383 nan 8.150 nan 0.000 0.443 177 K N -0.717 119.716 120.400 0.054 0.000 2.097 177 K HA -0.137 4.184 4.320 0.002 0.000 0.206 177 K C 2.254 178.925 176.600 0.118 0.000 1.049 177 K CA 1.328 57.756 56.287 0.234 0.000 0.933 177 K CB -0.138 32.536 32.500 0.291 0.000 0.717 177 K HN 0.387 nan 8.250 nan 0.000 0.442 178 Q N 0.187 119.871 119.800 -0.193 0.000 2.119 178 Q HA -0.062 4.279 4.340 0.002 0.000 0.201 178 Q C 2.186 178.035 176.000 -0.253 0.000 0.972 178 Q CA 1.425 57.018 55.803 -0.351 0.000 0.847 178 Q CB -0.249 28.166 28.738 -0.539 0.000 0.903 178 Q HN 0.331 nan 8.270 nan 0.000 0.433 179 A N 0.176 122.839 122.820 -0.262 0.000 1.933 179 A HA -0.179 4.142 4.320 0.002 0.000 0.218 179 A C 1.814 179.367 177.584 -0.051 0.000 1.175 179 A CA 1.331 53.142 52.037 -0.376 0.000 0.628 179 A CB -0.890 17.527 19.000 -0.972 0.000 0.814 179 A HN 0.522 nan 8.150 nan 0.000 0.444 180 W N 0.967 122.237 121.300 -0.049 0.000 2.379 180 W HA -0.108 4.553 4.660 0.002 0.000 0.307 180 W C 2.328 178.818 176.519 -0.048 0.000 1.200 180 W CA 1.470 58.860 57.345 0.076 0.000 1.297 180 W CB -0.714 28.805 29.460 0.099 0.000 1.140 180 W HN 0.367 nan 8.180 nan 0.000 0.507 181 R N 0.377 120.816 120.500 -0.102 0.000 2.105 181 R HA -0.193 4.148 4.340 0.002 0.000 0.239 181 R C 1.521 177.663 176.300 -0.264 0.000 1.135 181 R CA 1.878 57.693 56.100 -0.475 0.000 0.967 181 R CB -0.543 29.145 30.300 -1.019 0.000 0.861 181 R HN 0.114 nan 8.270 nan 0.000 0.442 182 N N 0.274 118.870 118.700 -0.172 0.000 2.412 182 N HA 0.023 4.764 4.740 0.002 0.000 0.184 182 N C -0.294 175.173 175.510 -0.073 0.000 1.101 182 N CA 0.630 53.602 53.050 -0.130 0.000 0.881 182 N CB 0.404 38.813 38.487 -0.131 0.000 0.969 182 N HN 0.165 nan 8.380 nan 0.000 0.459 183 A N 2.239 125.066 122.820 0.012 0.000 2.473 183 A HA 0.205 4.526 4.320 0.002 0.000 0.282 183 A C -1.233 176.344 177.584 -0.011 0.000 1.163 183 A CA -0.858 51.193 52.037 0.023 0.000 0.827 183 A CB 0.277 19.349 19.000 0.122 0.000 1.098 183 A HN 0.017 nan 8.150 nan 0.000 0.515 184 P HA -0.110 nan 4.420 nan 0.000 0.220 184 P C 1.039 178.306 177.300 -0.056 0.000 1.148 184 P CA 1.106 64.160 63.100 -0.077 0.000 0.803 184 P CB 0.158 31.778 31.700 -0.134 0.000 0.782 185 R N -2.002 118.434 120.500 -0.107 0.000 2.317 185 R HA 0.148 4.489 4.340 0.002 0.000 0.208 185 R C 0.225 176.543 176.300 0.030 0.000 0.914 185 R CA -0.126 55.933 56.100 -0.068 0.000 1.060 185 R CB -0.467 29.618 30.300 -0.359 0.000 1.015 185 R HN 0.180 nan 8.270 nan 0.000 0.498 186 C N 0.553 119.858 119.300 0.009 0.000 2.265 186 C HA 0.233 4.694 4.460 0.002 0.000 0.332 186 C C 1.827 176.765 174.990 -0.087 0.000 1.248 186 C CA -0.684 58.358 59.018 0.040 0.000 1.727 186 C CB 0.623 28.466 27.740 0.172 0.000 2.348 186 C HN 0.289 nan 8.230 nan 0.000 0.519 187 V N 5.972 125.783 119.914 -0.171 0.000 3.541 187 V HA 0.225 4.346 4.120 0.002 0.000 0.267 187 V C 1.698 177.787 176.094 -0.007 0.000 1.213 187 V CA 2.005 64.079 62.300 -0.377 0.000 1.149 187 V CB -0.105 31.537 31.823 -0.302 0.000 0.822 187 V HN 1.070 nan 8.190 nan 0.000 0.462 188 G N -0.629 108.218 108.800 0.079 0.000 3.523 188 G HA2 0.079 4.040 3.960 0.002 0.000 0.270 188 G HA3 0.079 4.040 3.960 0.002 0.000 0.270 188 G C 1.173 176.118 174.900 0.075 0.000 1.134 188 G CA -0.363 44.809 45.100 0.121 0.000 0.825 188 G HN 0.425 nan 8.290 nan 0.000 0.534 189 R N -0.165 120.306 120.500 -0.048 0.000 2.341 189 R HA 0.109 4.450 4.340 0.002 0.000 0.213 189 R C 1.979 177.884 176.300 -0.658 0.000 1.082 189 R CA 0.168 55.962 56.100 -0.510 0.000 1.017 189 R CB -0.148 29.819 30.300 -0.555 0.000 0.860 189 R HN 0.452 nan 8.270 nan 0.000 0.473 190 I N 0.884 121.243 120.570 -0.351 0.000 2.567 190 I HA -0.249 3.922 4.170 0.002 0.000 0.257 190 I C 1.328 177.357 176.117 -0.147 0.000 1.184 190 I CA 1.263 62.496 61.300 -0.112 0.000 1.451 190 I CB 0.166 38.201 38.000 0.058 0.000 1.089 190 I HN 0.204 nan 8.210 nan 0.000 0.441 191 Q N 0.456 120.109 119.800 -0.245 0.000 2.403 191 Q HA -0.103 4.238 4.340 0.002 0.000 0.203 191 Q C 1.642 177.208 176.000 -0.723 0.000 0.932 191 Q CA 0.408 56.048 55.803 -0.271 0.000 0.945 191 Q CB -0.208 28.536 28.738 0.010 0.000 1.045 191 Q HN 0.790 nan 8.270 nan 0.000 0.511 192 W N 0.231 120.801 121.300 -1.217 0.000 2.313 192 W HA -0.162 4.499 4.660 0.002 0.000 0.293 192 W C 1.114 177.325 176.519 -0.512 0.000 1.216 192 W CA 1.236 57.733 57.345 -1.413 0.000 1.223 192 W CB -1.226 27.637 29.460 -0.995 0.000 1.138 192 W HN 0.078 nan 8.180 nan 0.000 0.535 193 G N 1.054 109.206 108.800 -1.080 0.000 2.650 193 G HA2 -0.151 3.810 3.960 0.002 0.000 0.214 193 G HA3 -0.151 3.810 3.960 0.002 0.000 0.214 193 G C 0.779 175.484 174.900 -0.325 0.000 1.136 193 G CA -0.044 44.518 45.100 -0.897 0.000 0.789 193 G HN 0.247 nan 8.290 nan 0.000 0.536 194 K N 0.302 120.605 120.400 -0.161 0.000 2.356 194 K HA 0.519 4.840 4.320 0.002 0.000 0.243 194 K C -1.627 175.101 176.600 0.212 0.000 1.072 194 K CA -0.660 55.644 56.287 0.029 0.000 1.014 194 K CB 0.321 32.860 32.500 0.065 0.000 1.523 194 K HN 0.064 nan 8.250 nan 0.000 0.455 195 L N 3.116 124.440 121.223 0.168 0.000 2.439 195 L HA 0.328 4.669 4.340 0.002 0.000 0.270 195 L C -1.263 175.605 176.870 -0.002 0.000 0.972 195 L CA -0.417 54.530 54.840 0.178 0.000 0.836 195 L CB 1.901 44.140 42.059 0.299 0.000 1.255 195 L HN 0.442 nan 8.230 nan 0.000 0.404 196 Q N 3.105 122.848 119.800 -0.094 0.000 2.295 196 Q HA 0.511 4.852 4.340 0.002 0.000 0.259 196 Q C -1.491 174.163 176.000 -0.577 0.000 0.976 196 Q CA 0.028 55.602 55.803 -0.383 0.000 0.923 196 Q CB 1.174 29.595 28.738 -0.528 0.000 1.185 196 Q HN 0.523 nan 8.270 nan 0.000 0.410 197 V N 6.238 125.819 119.914 -0.556 0.000 2.347 197 V HA 0.410 4.531 4.120 0.002 0.000 0.280 197 V C -0.780 174.975 176.094 -0.565 0.000 1.021 197 V CA -0.576 61.452 62.300 -0.453 0.000 0.847 197 V CB 0.504 32.193 31.823 -0.224 0.000 0.990 197 V HN 0.628 nan 8.190 nan 0.000 0.444 198 F N 2.694 122.521 119.950 -0.205 0.000 2.385 198 F HA 0.386 4.915 4.527 0.002 0.000 0.360 198 F C 0.466 176.126 175.800 -0.234 0.000 1.122 198 F CA -1.111 56.771 58.000 -0.196 0.000 1.090 198 F CB 1.068 39.959 39.000 -0.182 0.000 1.150 198 F HN 0.428 nan 8.300 nan 0.000 0.472 199 D N 3.113 123.504 120.400 -0.015 0.000 2.352 199 D HA 0.386 5.027 4.640 0.002 0.000 0.245 199 D C 0.101 176.284 176.300 -0.195 0.000 1.224 199 D CA 0.063 53.986 54.000 -0.128 0.000 0.879 199 D CB 1.151 41.907 40.800 -0.073 0.000 1.057 199 D HN 0.612 nan 8.370 nan 0.000 0.491 200 A N 4.591 127.127 122.820 -0.473 0.000 2.637 200 A HA 0.168 4.490 4.320 0.002 0.000 0.293 200 A C 1.527 178.821 177.584 -0.483 0.000 1.216 200 A CA -0.408 51.107 52.037 -0.870 0.000 0.956 200 A CB 0.031 18.026 19.000 -1.676 0.000 1.174 200 A HN 0.559 nan 8.150 nan 0.000 0.525 201 R N 0.835 121.184 120.500 -0.252 0.000 2.316 201 R HA -0.049 4.292 4.340 0.002 0.000 0.202 201 R C 0.178 176.432 176.300 -0.077 0.000 1.029 201 R CA 1.075 57.096 56.100 -0.133 0.000 1.018 201 R CB 0.059 30.336 30.300 -0.039 0.000 0.888 201 R HN 0.628 nan 8.270 nan 0.000 0.471 202 D N -0.345 120.032 120.400 -0.039 0.000 2.561 202 D HA -0.023 4.618 4.640 0.002 0.000 0.232 202 D C -0.371 175.990 176.300 0.102 0.000 1.198 202 D CA -0.327 53.700 54.000 0.046 0.000 0.826 202 D CB -0.464 40.387 40.800 0.084 0.000 0.992 202 D HN -0.019 nan 8.370 nan 0.000 0.490 203 C N 1.279 120.602 119.300 0.039 0.000 2.319 203 C HA 0.580 5.041 4.460 0.002 0.000 0.335 203 C C 1.341 176.440 174.990 0.181 0.000 1.274 203 C CA -0.077 59.024 59.018 0.138 0.000 1.806 203 C CB 0.413 28.215 27.740 0.104 0.000 2.329 203 C HN 0.427 nan 8.230 nan 0.000 0.524 204 S N 2.572 118.435 115.700 0.272 0.000 2.819 204 S HA 0.354 4.825 4.470 0.002 0.000 0.249 204 S C -0.054 174.716 174.600 0.283 0.000 1.030 204 S CA 0.190 58.587 58.200 0.329 0.000 1.052 204 S CB -0.309 63.015 63.200 0.206 0.000 1.017 204 S HN 1.335 nan 8.310 nan 0.000 0.576 205 S N -0.578 115.290 115.700 0.280 0.000 2.565 205 S HA 0.789 5.260 4.470 0.002 0.000 0.269 205 S C 0.783 175.472 174.600 0.148 0.000 1.153 205 S CA -0.343 57.959 58.200 0.170 0.000 0.835 205 S CB 0.891 64.169 63.200 0.130 0.000 1.122 205 S HN 0.534 nan 8.310 nan 0.000 0.462 206 A N 0.893 123.771 122.820 0.095 0.000 1.933 206 A HA -0.111 4.210 4.320 0.002 0.000 0.218 206 A C 2.124 179.685 177.584 -0.037 0.000 1.175 206 A CA 1.991 54.062 52.037 0.057 0.000 0.628 206 A CB -1.160 17.936 19.000 0.160 0.000 0.814 206 A HN 0.940 nan 8.150 nan 0.000 0.444 207 Q N -0.316 119.552 119.800 0.114 0.000 2.096 207 Q HA -0.234 4.107 4.340 0.002 0.000 0.204 207 Q C 1.845 177.865 176.000 0.033 0.000 0.982 207 Q CA 1.932 57.785 55.803 0.084 0.000 0.850 207 Q CB -0.163 28.701 28.738 0.210 0.000 0.901 207 Q HN 0.785 nan 8.270 nan 0.000 0.422 208 E N -0.209 120.050 120.200 0.097 0.000 2.152 208 E HA -0.151 4.200 4.350 0.002 0.000 0.192 208 E C 2.050 178.797 176.600 0.245 0.000 0.983 208 E CA 1.081 57.578 56.400 0.162 0.000 0.818 208 E CB -0.028 29.812 29.700 0.232 0.000 0.758 208 E HN 0.469 nan 8.360 nan 0.000 0.467 209 M N -0.054 119.608 119.600 0.103 0.000 2.117 209 M HA -0.152 4.329 4.480 0.002 0.000 0.262 209 M C 2.152 178.465 176.300 0.023 0.000 1.065 209 M CA 1.415 56.693 55.300 -0.037 0.000 1.114 209 M CB -0.300 32.061 32.600 -0.400 0.000 1.361 209 M HN 0.142 nan 8.290 nan 0.000 0.408 210 F N 0.950 120.682 119.950 -0.363 0.000 2.095 210 F HA -0.249 4.279 4.527 0.002 0.000 0.298 210 F C 2.283 177.980 175.800 -0.172 0.000 1.104 210 F CA 1.786 59.518 58.000 -0.447 0.000 1.232 210 F CB -0.192 38.200 39.000 -1.012 0.000 0.987 210 F HN 0.038 nan 8.300 nan 0.000 0.475 211 T N -0.401 114.038 114.554 -0.191 0.000 2.708 211 T HA -0.245 4.106 4.350 0.002 0.000 0.266 211 T C 1.554 176.118 174.700 -0.227 0.000 1.037 211 T CA 1.922 63.860 62.100 -0.269 0.000 1.146 211 T CB -0.734 68.027 68.868 -0.177 0.000 0.865 211 T HN 0.357 nan 8.240 nan 0.000 0.435 212 Y N 0.825 121.078 120.300 -0.077 0.000 2.181 212 Y HA -0.031 4.520 4.550 0.002 0.000 0.288 212 Y C 2.290 178.151 175.900 -0.065 0.000 1.146 212 Y CA 0.878 58.950 58.100 -0.046 0.000 1.164 212 Y CB -0.347 38.199 38.460 0.143 0.000 0.982 212 Y HN 0.161 nan 8.280 nan 0.000 0.515 213 I N -1.457 119.207 120.570 0.156 0.000 2.226 213 I HA -0.365 3.806 4.170 0.002 0.000 0.245 213 I C 2.261 178.315 176.117 -0.104 0.000 1.100 213 I CA 0.967 62.291 61.300 0.041 0.000 1.374 213 I CB -0.466 37.544 38.000 0.016 0.000 1.057 213 I HN 0.328 nan 8.210 nan 0.000 0.413 214 C N 0.644 119.767 119.300 -0.294 0.000 2.429 214 C HA -0.123 4.338 4.460 0.002 0.000 0.277 214 C C 2.608 177.495 174.990 -0.172 0.000 1.262 214 C CA 0.761 59.594 59.018 -0.309 0.000 1.733 214 C CB -1.378 26.050 27.740 -0.521 0.000 2.010 214 C HN 0.546 nan 8.230 nan 0.000 0.483 215 N N -0.097 118.489 118.700 -0.191 0.000 2.188 215 N HA -0.132 4.609 4.740 0.002 0.000 0.184 215 N C 1.445 176.854 175.510 -0.169 0.000 1.018 215 N CA 1.332 54.260 53.050 -0.203 0.000 0.858 215 N CB -0.756 37.541 38.487 -0.317 0.000 0.989 215 N HN 0.753 nan 8.380 nan 0.000 0.426 216 H N 0.723 119.643 119.070 -0.249 0.000 2.293 216 H HA 0.044 4.601 4.556 0.002 0.000 0.300 216 H C 2.155 177.508 175.328 0.042 0.000 1.082 216 H CA 1.550 57.522 56.048 -0.127 0.000 1.308 216 H CB -0.044 29.700 29.762 -0.030 0.000 1.375 216 H HN 0.077 nan 8.280 nan 0.000 0.495 217 I N 0.744 121.456 120.570 0.237 0.000 2.208 217 I HA -0.289 3.882 4.170 0.002 0.000 0.245 217 I C 2.352 178.544 176.117 0.126 0.000 1.097 217 I CA 1.506 62.904 61.300 0.163 0.000 1.363 217 I CB -0.271 37.746 38.000 0.029 0.000 1.051 217 I HN 0.351 nan 8.210 nan 0.000 0.413 218 K N -0.037 120.405 120.400 0.070 0.000 2.026 218 K HA -0.243 4.078 4.320 0.002 0.000 0.208 218 K C 2.236 178.891 176.600 0.091 0.000 1.048 218 K CA 1.818 58.136 56.287 0.052 0.000 0.929 218 K CB -0.475 32.032 32.500 0.012 0.000 0.713 218 K HN 0.270 nan 8.250 nan 0.000 0.439 219 Y N 1.514 121.825 120.300 0.019 0.000 2.163 219 Y HA -0.223 4.328 4.550 0.002 0.000 0.288 219 Y C 2.297 178.258 175.900 0.100 0.000 1.136 219 Y CA 1.494 59.635 58.100 0.070 0.000 1.147 219 Y CB -0.348 38.193 38.460 0.135 0.000 0.987 219 Y HN 0.049 nan 8.280 nan 0.000 0.509 220 A N -0.659 122.342 122.820 0.302 0.000 1.902 220 A HA -0.169 4.152 4.320 0.002 0.000 0.217 220 A C 2.207 179.864 177.584 0.121 0.000 1.181 220 A CA 2.279 54.457 52.037 0.235 0.000 0.623 220 A CB -1.328 17.870 19.000 0.330 0.000 0.818 220 A HN 0.519 nan 8.150 nan 0.000 0.443 221 T N -0.486 114.133 114.554 0.108 0.000 2.737 221 T HA -0.128 4.223 4.350 0.002 0.000 0.265 221 T C 1.035 175.745 174.700 0.017 0.000 1.038 221 T CA 1.121 63.268 62.100 0.079 0.000 1.144 221 T CB -0.533 68.376 68.868 0.070 0.000 0.866 221 T HN 0.750 nan 8.240 nan 0.000 0.434 222 N N 0.632 119.313 118.700 -0.032 0.000 2.727 222 N HA -0.284 4.457 4.740 0.002 0.000 0.249 222 N C -0.609 174.874 175.510 -0.045 0.000 1.048 222 N CA -0.008 52.995 53.050 -0.078 0.000 0.714 222 N CB -0.361 38.041 38.487 -0.141 0.000 0.959 222 N HN 0.201 nan 8.380 nan 0.000 0.544 223 R N -2.534 117.952 120.500 -0.024 0.000 3.863 223 R HA -0.228 4.113 4.340 0.002 0.000 0.313 223 R C 1.245 177.530 176.300 -0.025 0.000 1.202 223 R CA 1.602 57.689 56.100 -0.023 0.000 0.852 223 R CB -2.311 27.972 30.300 -0.029 0.000 1.292 223 R HN 1.043 nan 8.270 nan 0.000 0.519 224 G N -0.286 108.507 108.800 -0.012 0.000 2.253 224 G HA2 -0.302 3.659 3.960 0.002 0.000 0.209 224 G HA3 -0.302 3.659 3.960 0.002 0.000 0.209 224 G C 0.045 174.935 174.900 -0.017 0.000 0.997 224 G CA 0.134 45.227 45.100 -0.012 0.000 0.640 224 G HN 0.437 nan 8.290 nan 0.000 0.496 225 N N 1.263 119.942 118.700 -0.036 0.000 3.188 225 N HA 0.433 5.174 4.740 0.002 0.000 0.279 225 N C 0.216 175.702 175.510 -0.041 0.000 1.213 225 N CA -0.706 52.306 53.050 -0.064 0.000 1.138 225 N CB -0.100 38.343 38.487 -0.072 0.000 1.417 225 N HN 0.133 nan 8.380 nan 0.000 0.526 226 L N 2.209 123.439 121.223 0.011 0.000 2.543 226 L HA 0.007 4.349 4.340 0.002 0.000 0.285 226 L C 0.643 177.631 176.870 0.196 0.000 1.236 226 L CA 1.131 56.052 54.840 0.134 0.000 0.871 226 L CB 0.128 42.357 42.059 0.283 0.000 1.121 226 L HN 0.368 nan 8.230 nan 0.000 0.501 227 R N 1.517 122.147 120.500 0.217 0.000 2.532 227 R HA 0.432 4.773 4.340 0.002 0.000 0.297 227 R C -0.612 175.871 176.300 0.305 0.000 0.984 227 R CA -0.680 55.574 56.100 0.256 0.000 0.884 227 R CB 1.684 32.008 30.300 0.040 0.000 1.182 227 R HN 0.568 nan 8.270 nan 0.000 0.442 228 S N 1.502 117.385 115.700 0.304 0.000 2.549 228 S HA 0.450 4.921 4.470 0.002 0.000 0.286 228 S C -0.198 174.468 174.600 0.109 0.000 1.314 228 S CA -0.143 58.132 58.200 0.125 0.000 1.062 228 S CB 1.146 64.365 63.200 0.031 0.000 0.865 228 S HN 0.703 nan 8.310 nan 0.000 0.498 229 A N 2.603 125.448 122.820 0.041 0.000 2.610 229 A HA 0.842 5.163 4.320 0.002 0.000 0.291 229 A C -1.309 176.302 177.584 0.045 0.000 1.086 229 A CA -0.673 51.323 52.037 -0.068 0.000 0.677 229 A CB 1.200 20.088 19.000 -0.187 0.000 1.278 229 A HN 0.798 nan 8.150 nan 0.000 0.414 230 I N 0.184 120.760 120.570 0.011 0.000 2.752 230 I HA 0.626 4.797 4.170 0.002 0.000 0.295 230 I C -1.246 174.967 176.117 0.162 0.000 1.219 230 I CA -0.083 61.350 61.300 0.221 0.000 1.030 230 I CB 2.415 40.501 38.000 0.143 0.000 1.259 230 I HN 0.610 nan 8.210 nan 0.000 0.423 231 T N 6.191 120.880 114.554 0.225 0.000 2.792 231 T HA 0.481 4.832 4.350 0.002 0.000 0.280 231 T C -0.846 173.656 174.700 -0.330 0.000 0.990 231 T CA -0.369 61.714 62.100 -0.029 0.000 0.960 231 T CB 1.625 70.481 68.868 -0.020 0.000 0.939 231 T HN 0.265 nan 8.240 nan 0.000 0.439 232 V N 5.086 124.725 119.914 -0.457 0.000 2.328 232 V HA 0.477 4.598 4.120 0.002 0.000 0.278 232 V C -0.438 175.317 176.094 -0.566 0.000 1.021 232 V CA -0.817 61.211 62.300 -0.453 0.000 0.838 232 V CB -0.019 31.511 31.823 -0.488 0.000 0.999 232 V HN 0.715 nan 8.190 nan 0.000 0.447 233 F N 5.031 124.890 119.950 -0.152 0.000 2.362 233 F HA 0.499 5.027 4.527 0.002 0.000 0.311 233 F C -1.792 173.899 175.800 -0.182 0.000 1.161 233 F CA -2.482 55.359 58.000 -0.264 0.000 1.085 233 F CB 0.103 38.957 39.000 -0.243 0.000 1.311 233 F HN 0.286 nan 8.300 nan 0.000 0.524 234 P HA -0.034 nan 4.420 nan 0.000 0.263 234 P C -0.943 176.383 177.300 0.044 0.000 1.175 234 P CA -0.009 62.989 63.100 -0.170 0.000 0.761 234 P CB 0.173 31.550 31.700 -0.537 0.000 0.794 235 Q N 3.638 123.457 119.800 0.031 0.000 2.524 235 Q HA 0.131 4.472 4.340 0.002 0.000 0.246 235 Q C -0.238 175.680 176.000 -0.136 0.000 1.063 235 Q CA -0.260 55.347 55.803 -0.326 0.000 0.945 235 Q CB 0.549 28.840 28.738 -0.745 0.000 1.292 235 Q HN 0.346 nan 8.270 nan 0.000 0.518 236 R N 0.013 120.399 120.500 -0.191 0.000 2.643 236 R HA 0.465 4.806 4.340 0.002 0.000 0.270 236 R C -0.688 175.561 176.300 -0.085 0.000 1.061 236 R CA 0.282 56.339 56.100 -0.071 0.000 1.107 236 R CB 0.697 30.944 30.300 -0.088 0.000 0.999 236 R HN 0.725 nan 8.270 nan 0.000 0.460 237 A N 3.604 126.413 122.820 -0.019 0.000 2.449 237 A HA 0.513 4.834 4.320 0.002 0.000 0.302 237 A C -2.541 175.038 177.584 -0.007 0.000 1.048 237 A CA -2.029 49.998 52.037 -0.016 0.000 0.708 237 A CB 1.482 20.500 19.000 0.030 0.000 1.274 237 A HN 0.403 nan 8.150 nan 0.000 0.410 238 P HA 0.206 nan 4.420 nan 0.000 0.261 238 P C 1.175 178.478 177.300 0.004 0.000 1.173 238 P CA 2.267 65.364 63.100 -0.006 0.000 0.760 238 P CB 0.540 32.238 31.700 -0.003 0.000 0.783 239 G N 2.005 110.806 108.800 0.002 0.000 2.196 239 G HA2 -0.314 3.647 3.960 0.002 0.000 0.268 239 G HA3 -0.314 3.647 3.960 0.002 0.000 0.268 239 G C 0.384 175.288 174.900 0.007 0.000 0.975 239 G CA 0.123 45.226 45.100 0.005 0.000 0.648 239 G HN 0.717 nan 8.290 nan 0.000 0.538 240 R N 0.543 121.048 120.500 0.009 0.000 2.664 240 R HA 0.575 4.916 4.340 0.002 0.000 0.286 240 R C 0.912 177.214 176.300 0.003 0.000 0.967 240 R CA 0.002 56.108 56.100 0.009 0.000 0.933 240 R CB 0.870 31.184 30.300 0.023 0.000 1.146 240 R HN 0.283 nan 8.270 nan 0.000 0.468 241 G N 1.637 110.430 108.800 -0.012 0.000 2.594 241 G HA2 0.048 4.010 3.960 0.002 0.000 0.243 241 G HA3 0.048 4.010 3.960 0.002 0.000 0.243 241 G C -0.602 174.288 174.900 -0.016 0.000 1.229 241 G CA -0.405 44.686 45.100 -0.015 0.000 0.843 241 G HN 0.602 nan 8.290 nan 0.000 0.578 242 D N -0.480 119.927 120.400 0.013 0.000 2.312 242 D HA 0.323 4.964 4.640 0.002 0.000 0.248 242 D C -0.204 176.132 176.300 0.059 0.000 1.086 242 D CA 0.041 54.086 54.000 0.074 0.000 0.948 242 D CB 1.017 41.868 40.800 0.084 0.000 1.162 242 D HN 0.098 nan 8.370 nan 0.000 0.446 243 F N 1.226 121.208 119.950 0.054 0.000 2.412 243 F HA 0.326 4.854 4.527 0.002 0.000 0.348 243 F C 1.066 176.903 175.800 0.061 0.000 1.102 243 F CA 0.088 58.111 58.000 0.038 0.000 1.196 243 F CB 0.670 39.688 39.000 0.029 0.000 1.144 243 F HN -0.177 nan 8.300 nan 0.000 0.541 244 R N 3.374 124.004 120.500 0.217 0.000 2.707 244 R HA 0.531 4.872 4.340 0.002 0.000 0.272 244 R C -1.420 175.027 176.300 0.245 0.000 1.011 244 R CA -0.884 55.353 56.100 0.228 0.000 0.893 244 R CB 2.217 32.668 30.300 0.251 0.000 1.233 244 R HN 0.609 nan 8.270 nan 0.000 0.464 245 I N 1.538 122.248 120.570 0.233 0.000 2.355 245 I HA 0.187 4.358 4.170 0.002 0.000 0.288 245 I C 0.437 176.769 176.117 0.358 0.000 0.999 245 I CA -0.455 60.977 61.300 0.220 0.000 1.163 245 I CB 1.362 39.432 38.000 0.117 0.000 1.316 245 I HN 0.525 nan 8.210 nan 0.000 0.454 246 W N 3.437 124.788 121.300 0.086 0.000 2.388 246 W HA -0.074 4.587 4.660 0.002 0.000 0.294 246 W C 0.967 177.604 176.519 0.197 0.000 1.212 246 W CA 0.180 57.648 57.345 0.206 0.000 1.271 246 W CB -0.768 28.787 29.460 0.158 0.000 1.126 246 W HN 0.402 nan 8.180 nan 0.000 0.535 247 N N 0.096 118.966 118.700 0.282 0.000 2.479 247 N HA 0.006 4.747 4.740 0.002 0.000 0.257 247 N C 1.309 176.886 175.510 0.112 0.000 1.232 247 N CA 0.864 53.999 53.050 0.142 0.000 0.920 247 N CB 0.707 39.214 38.487 0.034 0.000 1.105 247 N HN -0.085 nan 8.380 nan 0.000 0.444 248 S N 0.706 116.463 115.700 0.095 0.000 2.428 248 S HA -0.037 4.434 4.470 0.002 0.000 0.230 248 S C 0.366 174.964 174.600 -0.003 0.000 1.014 248 S CA 0.680 58.922 58.200 0.070 0.000 0.957 248 S CB 0.069 63.330 63.200 0.101 0.000 0.784 248 S HN 0.653 nan 8.310 nan 0.000 0.499 249 Q N -0.805 118.977 119.800 -0.030 0.000 2.456 249 Q HA 0.506 4.847 4.340 0.002 0.000 0.283 249 Q C 0.180 176.093 176.000 -0.145 0.000 1.084 249 Q CA -0.578 55.164 55.803 -0.101 0.000 0.801 249 Q CB 1.935 30.638 28.738 -0.059 0.000 1.434 249 Q HN 0.123 nan 8.270 nan 0.000 0.419 250 L N 0.108 121.214 121.223 -0.195 0.000 2.141 250 L HA 0.042 4.384 4.340 0.002 0.000 0.209 250 L C 0.348 177.059 176.870 -0.266 0.000 1.094 250 L CA 0.785 55.509 54.840 -0.193 0.000 0.763 250 L CB 0.194 42.134 42.059 -0.199 0.000 0.908 250 L HN 0.253 nan 8.230 nan 0.000 0.437 251 V N 1.091 120.744 119.914 -0.434 0.000 2.378 251 V HA 0.467 4.588 4.120 0.002 0.000 0.288 251 V C -0.282 175.323 176.094 -0.816 0.000 1.016 251 V CA -0.665 61.202 62.300 -0.723 0.000 0.840 251 V CB 1.629 32.760 31.823 -1.153 0.000 0.994 251 V HN 0.166 nan 8.190 nan 0.000 0.431 252 R N 2.990 123.154 120.500 -0.560 0.000 2.651 252 R HA 0.489 4.830 4.340 0.002 0.000 0.278 252 R C -1.787 174.340 176.300 -0.288 0.000 1.010 252 R CA -0.775 55.121 56.100 -0.340 0.000 0.896 252 R CB 2.459 32.669 30.300 -0.150 0.000 1.211 252 R HN 0.562 nan 8.270 nan 0.000 0.456 253 Y N 0.545 120.844 120.300 -0.002 0.000 2.308 253 Y HA 0.407 4.958 4.550 0.002 0.000 0.329 253 Y C 1.016 176.874 175.900 -0.070 0.000 1.111 253 Y CA -0.588 57.513 58.100 0.002 0.000 1.179 253 Y CB 1.158 39.672 38.460 0.091 0.000 1.201 253 Y HN 0.682 nan 8.280 nan 0.000 0.483 254 A N 1.880 124.719 122.820 0.033 0.000 2.466 254 A HA 0.513 4.834 4.320 0.002 0.000 0.238 254 A C 0.646 178.002 177.584 -0.381 0.000 1.074 254 A CA 0.354 52.244 52.037 -0.246 0.000 0.774 254 A CB -0.257 18.508 19.000 -0.391 0.000 1.015 254 A HN 0.963 nan 8.150 nan 0.000 0.498 255 G N 0.539 109.087 108.800 -0.421 0.000 2.782 255 G HA2 0.537 4.498 3.960 0.002 0.000 0.289 255 G HA3 0.537 4.498 3.960 0.002 0.000 0.289 255 G C -1.047 173.696 174.900 -0.261 0.000 1.463 255 G CA -0.273 44.647 45.100 -0.300 0.000 1.019 255 G HN 0.553 nan 8.290 nan 0.000 0.536 256 Y N 2.425 122.736 120.300 0.019 0.000 2.353 256 Y HA 0.404 4.955 4.550 0.002 0.000 0.340 256 Y C 1.174 177.074 175.900 -0.000 0.000 0.972 256 Y CA -1.102 57.011 58.100 0.023 0.000 1.157 256 Y CB 1.129 39.601 38.460 0.020 0.000 1.157 256 Y HN 0.200 nan 8.280 nan 0.000 0.495 257 R N 3.635 124.222 120.500 0.145 0.000 2.537 257 R HA 0.163 4.504 4.340 0.002 0.000 0.280 257 R C -0.483 175.861 176.300 0.074 0.000 1.058 257 R CA 0.042 56.190 56.100 0.080 0.000 1.057 257 R CB 0.613 30.947 30.300 0.058 0.000 0.973 257 R HN 0.767 nan 8.270 nan 0.000 0.438 258 Q N 1.395 121.223 119.800 0.046 0.000 2.433 258 Q HA 0.084 4.425 4.340 0.002 0.000 0.279 258 Q C 0.840 176.849 176.000 0.014 0.000 1.105 258 Q CA -0.859 54.960 55.803 0.026 0.000 0.815 258 Q CB 2.322 31.073 28.738 0.021 0.000 1.403 258 Q HN 0.607 nan 8.270 nan 0.000 0.435 259 Q N 1.487 121.290 119.800 0.005 0.000 2.463 259 Q HA -0.340 4.001 4.340 0.002 0.000 0.231 259 Q C 0.166 176.169 176.000 0.005 0.000 1.097 259 Q CA 2.655 58.459 55.803 0.002 0.000 0.992 259 Q CB -1.377 27.360 28.738 -0.003 0.000 0.999 259 Q HN 0.938 nan 8.270 nan 0.000 0.536 260 D N 0.690 121.093 120.400 0.005 0.000 2.870 260 D HA 0.271 4.912 4.640 0.002 0.000 0.241 260 D C 1.174 177.480 176.300 0.009 0.000 1.234 260 D CA 0.549 54.553 54.000 0.006 0.000 0.844 260 D CB 0.044 40.847 40.800 0.004 0.000 1.051 260 D HN 0.766 nan 8.370 nan 0.000 0.469 261 G N 1.105 109.912 108.800 0.012 0.000 2.353 261 G HA2 -0.406 3.556 3.960 0.002 0.000 0.258 261 G HA3 -0.406 3.556 3.960 0.002 0.000 0.258 261 G C 0.675 175.584 174.900 0.015 0.000 1.013 261 G CA 0.766 45.875 45.100 0.015 0.000 0.622 261 G HN 0.838 nan 8.290 nan 0.000 0.535 262 S N -0.766 114.941 115.700 0.012 0.000 2.592 262 S HA 0.497 4.968 4.470 0.002 0.000 0.256 262 S C 0.134 174.740 174.600 0.009 0.000 1.369 262 S CA 0.425 58.630 58.200 0.009 0.000 0.984 262 S CB 1.757 64.961 63.200 0.007 0.000 0.919 262 S HN 1.322 nan 8.310 nan 0.000 0.576 263 V N 1.083 120.994 119.914 -0.006 0.000 2.686 263 V HA 0.532 4.654 4.120 0.002 0.000 0.306 263 V C -0.074 175.999 176.094 -0.035 0.000 1.065 263 V CA -0.828 61.465 62.300 -0.012 0.000 0.894 263 V CB 1.777 33.575 31.823 -0.041 0.000 1.004 263 V HN 0.963 nan 8.190 nan 0.000 0.424 264 R N 2.491 123.000 120.500 0.015 0.000 2.294 264 R HA 0.698 5.039 4.340 0.002 0.000 0.319 264 R C 0.554 176.819 176.300 -0.059 0.000 0.984 264 R CA 0.902 57.010 56.100 0.014 0.000 0.861 264 R CB 1.207 31.582 30.300 0.124 0.000 1.104 264 R HN 1.247 nan 8.270 nan 0.000 0.451 265 G N 2.937 111.599 108.800 -0.230 0.000 2.464 265 G HA2 -0.241 3.720 3.960 0.002 0.000 0.216 265 G HA3 -0.241 3.720 3.960 0.002 0.000 0.216 265 G C -1.339 173.148 174.900 -0.688 0.000 1.186 265 G CA -0.125 44.752 45.100 -0.371 0.000 1.010 265 G HN 0.624 nan 8.290 nan 0.000 0.585 266 D N 1.560 121.713 120.400 -0.411 0.000 2.359 266 D HA 0.578 5.219 4.640 0.002 0.000 0.230 266 D C -1.119 175.082 176.300 -0.164 0.000 1.118 266 D CA -1.994 51.811 54.000 -0.325 0.000 0.844 266 D CB 1.556 42.467 40.800 0.185 0.000 1.059 266 D HN -0.019 nan 8.370 nan 0.000 0.493 267 P HA -0.083 nan 4.420 nan 0.000 0.221 267 P C 0.841 178.149 177.300 0.012 0.000 1.145 267 P CA 0.857 63.919 63.100 -0.064 0.000 0.795 267 P CB 0.303 31.975 31.700 -0.047 0.000 0.775 268 A N -0.568 122.279 122.820 0.045 0.000 2.119 268 A HA -0.094 4.227 4.320 0.002 0.000 0.217 268 A C 1.520 179.155 177.584 0.085 0.000 1.153 268 A CA 1.210 53.305 52.037 0.097 0.000 0.692 268 A CB -0.781 18.301 19.000 0.137 0.000 0.799 268 A HN 0.149 nan 8.150 nan 0.000 0.458 269 N N -0.239 118.492 118.700 0.051 0.000 2.273 269 N HA 0.155 4.896 4.740 0.002 0.000 0.231 269 N C 1.048 176.548 175.510 -0.016 0.000 1.134 269 N CA 0.143 53.208 53.050 0.025 0.000 0.856 269 N CB 0.688 39.185 38.487 0.017 0.000 1.068 269 N HN 0.195 nan 8.380 nan 0.000 0.510 270 V N 0.934 120.845 119.914 -0.005 0.000 2.261 270 V HA -0.237 3.884 4.120 0.002 0.000 0.246 270 V C 2.432 178.523 176.094 -0.005 0.000 1.047 270 V CA 1.776 64.072 62.300 -0.007 0.000 1.015 270 V CB -0.315 31.516 31.823 0.013 0.000 0.642 270 V HN 0.380 nan 8.190 nan 0.000 0.446 271 E N -0.324 119.877 120.200 0.003 0.000 2.058 271 E HA -0.274 4.077 4.350 0.002 0.000 0.194 271 E C 2.129 178.654 176.600 -0.125 0.000 0.997 271 E CA 1.827 58.205 56.400 -0.036 0.000 0.801 271 E CB -0.166 29.548 29.700 0.023 0.000 0.746 271 E HN 0.509 nan 8.360 nan 0.000 0.450 272 I N 0.604 121.112 120.570 -0.103 0.000 2.394 272 I HA -0.183 3.988 4.170 0.002 0.000 0.251 272 I C 2.039 178.096 176.117 -0.099 0.000 1.136 272 I CA 1.452 62.667 61.300 -0.141 0.000 1.425 272 I CB -0.342 37.619 38.000 -0.064 0.000 1.079 272 I HN 0.055 nan 8.210 nan 0.000 0.425 273 T N 0.542 115.057 114.554 -0.063 0.000 2.708 273 T HA -0.180 4.171 4.350 0.002 0.000 0.266 273 T C 1.733 176.492 174.700 0.098 0.000 1.037 273 T CA 1.885 63.979 62.100 -0.009 0.000 1.146 273 T CB -0.276 68.577 68.868 -0.025 0.000 0.865 273 T HN 0.479 nan 8.240 nan 0.000 0.435 274 E N 0.723 120.957 120.200 0.057 0.000 2.110 274 E HA -0.043 4.308 4.350 0.002 0.000 0.193 274 E C 2.256 178.886 176.600 0.051 0.000 0.988 274 E CA 0.755 57.196 56.400 0.069 0.000 0.804 274 E CB -0.288 29.428 29.700 0.027 0.000 0.745 274 E HN 0.415 nan 8.360 nan 0.000 0.458 275 L N 0.400 121.618 121.223 -0.008 0.000 2.046 275 L HA -0.229 4.112 4.340 0.002 0.000 0.208 275 L C 2.619 179.586 176.870 0.161 0.000 1.077 275 L CA 0.810 55.678 54.840 0.047 0.000 0.747 275 L CB -0.420 41.600 42.059 -0.066 0.000 0.896 275 L HN 0.319 nan 8.230 nan 0.000 0.432 276 C N -0.035 119.313 119.300 0.080 0.000 2.432 276 C HA -0.161 4.300 4.460 0.002 0.000 0.277 276 C C 2.723 177.875 174.990 0.269 0.000 1.249 276 C CA 0.467 59.539 59.018 0.090 0.000 1.725 276 C CB -0.631 27.039 27.740 -0.117 0.000 2.028 276 C HN 0.415 nan 8.230 nan 0.000 0.477 277 I N 0.544 121.313 120.570 0.331 0.000 2.127 277 I HA -0.311 3.860 4.170 0.002 0.000 0.241 277 I C 2.794 178.980 176.117 0.116 0.000 1.075 277 I CA 1.919 63.383 61.300 0.273 0.000 1.334 277 I CB -0.832 37.294 38.000 0.210 0.000 1.040 277 I HN 0.483 nan 8.210 nan 0.000 0.405 278 Q N 0.434 120.265 119.800 0.050 0.000 2.248 278 Q HA -0.235 4.106 4.340 0.002 0.000 0.208 278 Q C 1.384 177.269 176.000 -0.192 0.000 0.984 278 Q CA 1.428 57.180 55.803 -0.085 0.000 0.875 278 Q CB -0.030 28.622 28.738 -0.143 0.000 0.910 278 Q HN 0.599 nan 8.270 nan 0.000 0.433 279 H N -1.696 117.364 119.070 -0.017 0.000 2.537 279 H HA 0.192 4.749 4.556 0.002 0.000 0.295 279 H C 0.799 176.101 175.328 -0.043 0.000 1.054 279 H CA 0.709 56.719 56.048 -0.063 0.000 1.156 279 H CB 0.855 30.533 29.762 -0.139 0.000 1.468 279 H HN 0.542 nan 8.280 nan 0.000 0.551 280 G N 0.618 109.457 108.800 0.065 0.000 2.179 280 G HA2 -0.240 3.721 3.960 0.002 0.000 0.220 280 G HA3 -0.240 3.721 3.960 0.002 0.000 0.220 280 G C -0.020 174.946 174.900 0.110 0.000 0.990 280 G CA -0.079 45.050 45.100 0.048 0.000 0.646 280 G HN 0.390 nan 8.290 nan 0.000 0.517 281 W N 2.646 123.926 121.300 -0.033 0.000 2.216 281 W HA 0.618 5.279 4.660 0.002 0.000 0.326 281 W C 0.247 176.761 176.519 -0.008 0.000 1.319 281 W CA 0.475 57.806 57.345 -0.023 0.000 1.213 281 W CB 0.780 30.237 29.460 -0.005 0.000 1.171 281 W HN 0.027 nan 8.180 nan 0.000 0.557 282 T N 9.600 123.809 114.554 -0.575 0.000 2.794 282 T HA 0.178 4.530 4.350 0.002 0.000 0.304 282 T C -2.108 171.852 174.700 -1.233 0.000 0.973 282 T CA -0.941 60.784 62.100 -0.626 0.000 0.972 282 T CB 0.203 68.857 68.868 -0.357 0.000 0.952 282 T HN 0.224 nan 8.240 nan 0.000 0.509 283 P HA 0.218 nan 4.420 nan 0.000 0.269 283 P C 0.474 177.375 177.300 -0.666 0.000 1.209 283 P CA -0.156 62.209 63.100 -1.225 0.000 0.776 283 P CB 0.884 32.290 31.700 -0.491 0.000 0.876 284 G N 1.706 110.281 108.800 -0.375 0.000 2.543 284 G HA2 0.253 4.214 3.960 0.002 0.000 0.267 284 G HA3 0.253 4.214 3.960 0.002 0.000 0.267 284 G C 0.376 175.049 174.900 -0.378 0.000 1.406 284 G CA -0.513 44.485 45.100 -0.170 0.000 1.048 284 G HN 0.710 nan 8.290 nan 0.000 0.548 285 N N -0.730 117.854 118.700 -0.193 0.000 2.390 285 N HA 0.191 4.932 4.740 0.002 0.000 0.259 285 N C 0.331 175.845 175.510 0.007 0.000 1.395 285 N CA 0.066 52.949 53.050 -0.279 0.000 0.852 285 N CB 0.541 38.887 38.487 -0.235 0.000 1.371 285 N HN 0.647 nan 8.380 nan 0.000 0.491 286 G N 0.412 109.326 108.800 0.189 0.000 2.613 286 G HA2 0.390 4.351 3.960 0.002 0.000 0.303 286 G HA3 0.390 4.351 3.960 0.002 0.000 0.303 286 G C 0.483 175.494 174.900 0.184 0.000 1.312 286 G CA -0.665 44.544 45.100 0.182 0.000 1.036 286 G HN 0.127 nan 8.290 nan 0.000 0.513 287 R N -1.367 119.167 120.500 0.057 0.000 2.254 287 R HA 0.166 4.507 4.340 0.002 0.000 0.195 287 R C -0.231 175.677 176.300 -0.653 0.000 0.957 287 R CA 0.561 56.515 56.100 -0.243 0.000 1.024 287 R CB 0.227 30.347 30.300 -0.301 0.000 0.952 287 R HN 0.371 nan 8.270 nan 0.000 0.484 288 F N 0.843 120.756 119.950 -0.062 0.000 2.576 288 F HA 0.250 4.778 4.527 0.002 0.000 0.365 288 F C -0.749 175.044 175.800 -0.012 0.000 1.506 288 F CA -1.081 56.660 58.000 -0.431 0.000 1.113 288 F CB 0.707 39.258 39.000 -0.748 0.000 1.293 288 F HN -0.270 nan 8.300 nan 0.000 0.540 289 D N 1.822 122.402 120.400 0.300 0.000 2.316 289 D HA 0.193 4.834 4.640 0.002 0.000 0.245 289 D C 0.256 176.796 176.300 0.399 0.000 1.171 289 D CA 0.113 54.339 54.000 0.378 0.000 0.856 289 D CB 2.253 43.327 40.800 0.456 0.000 1.090 289 D HN -0.049 nan 8.370 nan 0.000 0.476 290 V N 3.724 123.844 119.914 0.343 0.000 2.599 290 V HA -0.017 4.104 4.120 0.002 0.000 0.300 290 V C 1.022 177.120 176.094 0.006 0.000 1.034 290 V CA -0.155 62.229 62.300 0.140 0.000 1.115 290 V CB 0.266 32.130 31.823 0.069 0.000 0.934 290 V HN 0.334 nan 8.190 nan 0.000 0.485 291 L N 7.989 129.109 121.223 -0.173 0.000 2.436 291 L HA 0.396 4.737 4.340 0.002 0.000 0.265 291 L C -1.689 174.935 176.870 -0.409 0.000 1.168 291 L CA -1.428 53.148 54.840 -0.440 0.000 0.815 291 L CB 1.058 42.868 42.059 -0.416 0.000 1.109 291 L HN 0.497 nan 8.230 nan 0.000 0.462 292 P HA 0.267 nan 4.420 nan 0.000 0.278 292 P C -1.228 175.918 177.300 -0.257 0.000 1.266 292 P CA -0.535 62.341 63.100 -0.373 0.000 0.807 292 P CB 1.111 32.506 31.700 -0.508 0.000 1.094 293 L N 0.812 121.974 121.223 -0.101 0.000 2.325 293 L HA 0.430 4.771 4.340 0.002 0.000 0.279 293 L C 0.388 177.236 176.870 -0.036 0.000 1.054 293 L CA -0.853 53.967 54.840 -0.033 0.000 0.804 293 L CB 0.812 42.915 42.059 0.074 0.000 1.200 293 L HN 0.209 nan 8.230 nan 0.000 0.436 294 L N 5.048 126.226 121.223 -0.075 0.000 2.283 294 L HA 0.460 4.801 4.340 0.002 0.000 0.281 294 L C -0.633 176.140 176.870 -0.162 0.000 1.033 294 L CA -0.251 54.454 54.840 -0.225 0.000 0.848 294 L CB 0.963 42.791 42.059 -0.384 0.000 1.226 294 L HN 0.441 nan 8.230 nan 0.000 0.429 295 L N 3.902 125.082 121.223 -0.071 0.000 2.307 295 L HA 0.500 4.841 4.340 0.002 0.000 0.284 295 L C -0.224 176.588 176.870 -0.097 0.000 1.023 295 L CA -0.363 54.454 54.840 -0.037 0.000 0.810 295 L CB 1.805 43.849 42.059 -0.024 0.000 1.231 295 L HN 0.565 nan 8.230 nan 0.000 0.423 296 Q N 2.591 122.359 119.800 -0.054 0.000 2.325 296 Q HA 0.679 5.020 4.340 0.002 0.000 0.270 296 Q C -1.042 174.907 176.000 -0.086 0.000 1.020 296 Q CA -0.566 55.203 55.803 -0.057 0.000 0.785 296 Q CB 2.149 30.937 28.738 0.085 0.000 1.259 296 Q HN 0.785 nan 8.270 nan 0.000 0.452 297 A N 4.901 127.618 122.820 -0.172 0.000 2.271 297 A HA 0.638 4.959 4.320 0.002 0.000 0.288 297 A C -2.408 174.921 177.584 -0.427 0.000 1.094 297 A CA -1.641 50.138 52.037 -0.429 0.000 0.828 297 A CB 0.090 18.929 19.000 -0.268 0.000 1.091 297 A HN 0.646 nan 8.150 nan 0.000 0.493 298 P HA 0.012 nan 4.420 nan 0.000 0.260 298 P C -0.595 176.605 177.300 -0.166 0.000 1.172 298 P CA 0.867 63.756 63.100 -0.352 0.000 0.760 298 P CB 0.105 31.590 31.700 -0.358 0.000 0.773 299 D N -0.032 120.319 120.400 -0.082 0.000 2.882 299 D HA -0.182 4.459 4.640 0.002 0.000 0.229 299 D C 0.033 176.318 176.300 -0.024 0.000 1.167 299 D CA 1.315 55.297 54.000 -0.030 0.000 0.759 299 D CB -0.476 40.308 40.800 -0.026 0.000 1.088 299 D HN 0.449 nan 8.370 nan 0.000 0.425 300 E N -0.615 119.561 120.200 -0.039 0.000 2.277 300 E HA 0.686 5.037 4.350 0.002 0.000 0.266 300 E C 0.086 176.673 176.600 -0.022 0.000 0.901 300 E CA -0.750 55.629 56.400 -0.035 0.000 0.782 300 E CB 1.632 31.294 29.700 -0.063 0.000 1.228 300 E HN 0.132 nan 8.360 nan 0.000 0.424 301 A N 2.950 125.754 122.820 -0.027 0.000 2.425 301 A HA 0.375 4.697 4.320 0.002 0.000 0.242 301 A C -1.989 175.479 177.584 -0.193 0.000 1.077 301 A CA -0.865 51.142 52.037 -0.050 0.000 0.781 301 A CB -0.510 18.484 19.000 -0.010 0.000 1.020 301 A HN 0.305 nan 8.150 nan 0.000 0.494 302 P HA 0.186 nan 4.420 nan 0.000 0.272 302 P C -0.656 176.347 177.300 -0.496 0.000 1.223 302 P CA 0.100 62.807 63.100 -0.656 0.000 0.784 302 P CB 0.725 31.518 31.700 -1.512 0.000 0.923 303 E N 0.541 120.541 120.200 -0.333 0.000 2.195 303 E HA 0.418 4.770 4.350 0.002 0.000 0.271 303 E C -0.793 175.565 176.600 -0.403 0.000 0.923 303 E CA -1.060 55.148 56.400 -0.318 0.000 0.790 303 E CB 1.484 31.076 29.700 -0.180 0.000 1.155 303 E HN 0.275 nan 8.360 nan 0.000 0.402 304 L N 3.261 124.147 121.223 -0.563 0.000 2.292 304 L HA 0.440 4.781 4.340 0.002 0.000 0.284 304 L C -1.572 174.789 176.870 -0.849 0.000 1.065 304 L CA 0.175 54.721 54.840 -0.491 0.000 0.806 304 L CB 0.167 42.048 42.059 -0.296 0.000 1.175 304 L HN 0.409 nan 8.230 nan 0.000 0.431 305 F N 4.128 123.869 119.950 -0.348 0.000 2.557 305 F HA 0.442 4.970 4.527 0.002 0.000 0.316 305 F C -0.346 175.242 175.800 -0.352 0.000 1.141 305 F CA -0.877 56.784 58.000 -0.564 0.000 0.922 305 F CB 1.833 40.179 39.000 -1.090 0.000 1.194 305 F HN 0.015 nan 8.300 nan 0.000 0.443 306 V N 4.887 124.740 119.914 -0.100 0.000 2.406 306 V HA 0.249 4.370 4.120 0.002 0.000 0.272 306 V C 0.249 176.462 176.094 0.199 0.000 1.043 306 V CA -0.656 61.670 62.300 0.043 0.000 0.915 306 V CB 1.158 33.029 31.823 0.080 0.000 0.988 306 V HN 0.543 nan 8.190 nan 0.000 0.466 307 L N 7.632 128.980 121.223 0.209 0.000 2.410 307 L HA 0.254 4.595 4.340 0.002 0.000 0.273 307 L C -2.078 174.897 176.870 0.174 0.000 1.152 307 L CA -1.441 53.548 54.840 0.249 0.000 0.855 307 L CB 0.506 42.637 42.059 0.120 0.000 1.129 307 L HN 0.438 nan 8.230 nan 0.000 0.463 308 P HA 0.065 nan 4.420 nan 0.000 0.266 308 P C -1.991 175.356 177.300 0.078 0.000 1.215 308 P CA -0.928 62.241 63.100 0.115 0.000 0.763 308 P CB 0.442 32.197 31.700 0.092 0.000 0.806 309 P HA -0.267 nan 4.420 nan 0.000 0.218 309 P C 1.370 178.699 177.300 0.049 0.000 1.154 309 P CA 1.487 64.627 63.100 0.067 0.000 0.872 309 P CB -0.176 31.567 31.700 0.071 0.000 0.790 310 E N -0.745 119.480 120.200 0.041 0.000 2.409 310 E HA -0.132 4.219 4.350 0.002 0.000 0.198 310 E C 1.455 178.068 176.600 0.021 0.000 1.024 310 E CA 1.002 57.419 56.400 0.028 0.000 0.861 310 E CB -0.898 28.816 29.700 0.023 0.000 0.788 310 E HN 0.243 nan 8.360 nan 0.000 0.521 311 L N 0.760 121.996 121.223 0.022 0.000 2.446 311 L HA 0.074 4.415 4.340 0.002 0.000 0.219 311 L C 0.703 177.582 176.870 0.015 0.000 1.116 311 L CA 0.455 55.302 54.840 0.011 0.000 0.844 311 L CB 0.484 42.540 42.059 -0.004 0.000 0.970 311 L HN -0.115 nan 8.230 nan 0.000 0.457 312 V N 1.588 121.515 119.914 0.021 0.000 2.304 312 V HA 0.193 4.314 4.120 0.002 0.000 0.262 312 V C -0.030 176.089 176.094 0.042 0.000 1.061 312 V CA -0.776 61.536 62.300 0.019 0.000 0.872 312 V CB 0.931 32.757 31.823 0.005 0.000 1.077 312 V HN -0.015 nan 8.190 nan 0.000 0.480 313 L N 5.648 126.901 121.223 0.050 0.000 2.360 313 L HA 0.408 4.749 4.340 0.002 0.000 0.276 313 L C 0.237 177.145 176.870 0.063 0.000 1.121 313 L CA 0.842 55.707 54.840 0.041 0.000 0.845 313 L CB 0.351 42.430 42.059 0.032 0.000 1.143 313 L HN 0.652 nan 8.230 nan 0.000 0.452 314 E N 3.259 123.474 120.200 0.026 0.000 2.336 314 E HA 0.607 4.958 4.350 0.002 0.000 0.267 314 E C -1.474 175.074 176.600 -0.086 0.000 0.906 314 E CA -1.034 55.382 56.400 0.026 0.000 0.781 314 E CB 2.471 32.214 29.700 0.071 0.000 1.261 314 E HN 0.342 nan 8.360 nan 0.000 0.436 315 V N 2.628 122.464 119.914 -0.129 0.000 2.409 315 V HA 0.291 4.412 4.120 0.002 0.000 0.290 315 V C -2.464 173.571 176.094 -0.099 0.000 1.017 315 V CA -1.995 60.167 62.300 -0.229 0.000 0.841 315 V CB 1.336 32.774 31.823 -0.642 0.000 1.003 315 V HN 0.519 nan 8.190 nan 0.000 0.426 316 P HA 0.255 nan 4.420 nan 0.000 0.271 316 P C -0.574 176.737 177.300 0.018 0.000 1.220 316 P CA -0.022 63.050 63.100 -0.047 0.000 0.768 316 P CB 0.538 32.216 31.700 -0.038 0.000 0.848 317 L N 4.026 125.293 121.223 0.072 0.000 2.276 317 L HA 0.434 4.776 4.340 0.002 0.000 0.286 317 L C 1.042 178.101 176.870 0.315 0.000 1.061 317 L CA -0.089 54.877 54.840 0.209 0.000 0.807 317 L CB 0.469 42.715 42.059 0.311 0.000 1.177 317 L HN 0.488 nan 8.230 nan 0.000 0.429 318 E N 2.238 122.614 120.200 0.292 0.000 2.416 318 E HA 0.413 4.765 4.350 0.002 0.000 0.273 318 E C -1.393 175.281 176.600 0.123 0.000 0.935 318 E CA -0.945 55.641 56.400 0.309 0.000 0.784 318 E CB 2.284 32.108 29.700 0.207 0.000 1.301 318 E HN 0.478 nan 8.360 nan 0.000 0.454 319 H N 1.373 120.346 119.070 -0.162 0.000 2.492 319 H HA 0.247 4.804 4.556 0.002 0.000 0.345 319 H C -1.790 173.222 175.328 -0.526 0.000 1.136 319 H CA -2.292 53.472 56.048 -0.475 0.000 1.202 319 H CB 2.078 31.438 29.762 -0.671 0.000 1.524 319 H HN 0.423 nan 8.280 nan 0.000 0.506 320 P HA -0.141 nan 4.420 nan 0.000 0.217 320 P C 0.897 178.010 177.300 -0.310 0.000 1.148 320 P CA 1.968 64.525 63.100 -0.905 0.000 0.828 320 P CB 0.415 31.602 31.700 -0.856 0.000 0.783 321 T N -5.053 109.498 114.554 -0.004 0.000 2.966 321 T HA 0.209 4.560 4.350 0.002 0.000 0.254 321 T C 0.794 175.455 174.700 -0.066 0.000 0.961 321 T CA -0.253 61.849 62.100 0.003 0.000 0.915 321 T CB -0.566 68.313 68.868 0.018 0.000 1.186 321 T HN -0.061 nan 8.240 nan 0.000 0.505 322 L N 4.177 125.291 121.223 -0.182 0.000 2.334 322 L HA 0.333 4.674 4.340 0.002 0.000 0.286 322 L C 2.057 178.577 176.870 -0.584 0.000 1.108 322 L CA -0.606 53.835 54.840 -0.664 0.000 0.875 322 L CB 0.733 41.954 42.059 -1.397 0.000 1.246 322 L HN 0.318 nan 8.230 nan 0.000 0.439 323 E N 4.775 124.794 120.200 -0.302 0.000 2.130 323 E HA -0.260 4.091 4.350 0.002 0.000 0.196 323 E C 1.635 178.202 176.600 -0.055 0.000 0.998 323 E CA 1.766 58.100 56.400 -0.110 0.000 0.806 323 E CB -0.314 29.394 29.700 0.014 0.000 0.738 323 E HN 0.828 nan 8.360 nan 0.000 0.459 324 W N -0.302 121.044 121.300 0.077 0.000 2.699 324 W HA 0.041 4.702 4.660 0.002 0.000 0.249 324 W C 1.640 178.210 176.519 0.086 0.000 1.280 324 W CA -0.079 57.304 57.345 0.063 0.000 1.345 324 W CB -1.128 28.350 29.460 0.030 0.000 1.128 324 W HN -0.113 nan 8.180 nan 0.000 0.642 325 F N 3.053 122.792 119.950 -0.351 0.000 2.095 325 F HA -0.142 4.386 4.527 0.002 0.000 0.298 325 F C 2.744 178.578 175.800 0.055 0.000 1.104 325 F CA 3.094 60.996 58.000 -0.162 0.000 1.232 325 F CB -0.696 38.087 39.000 -0.362 0.000 0.987 325 F HN -0.075 nan 8.300 nan 0.000 0.475 326 A N 0.103 123.037 122.820 0.190 0.000 2.032 326 A HA -0.155 4.166 4.320 0.002 0.000 0.221 326 A C 2.317 179.938 177.584 0.062 0.000 1.165 326 A CA 1.675 53.790 52.037 0.129 0.000 0.645 326 A CB -1.503 17.565 19.000 0.114 0.000 0.807 326 A HN 0.479 nan 8.150 nan 0.000 0.453 327 A N -0.344 122.529 122.820 0.089 0.000 2.070 327 A HA 0.022 4.343 4.320 0.002 0.000 0.220 327 A C 1.950 179.557 177.584 0.038 0.000 1.159 327 A CA 1.234 53.319 52.037 0.079 0.000 0.656 327 A CB -0.547 18.531 19.000 0.129 0.000 0.800 327 A HN 0.511 nan 8.150 nan 0.000 0.453 328 L N -1.069 120.142 121.223 -0.020 0.000 2.362 328 L HA 0.010 4.351 4.340 0.002 0.000 0.219 328 L C 1.789 178.651 176.870 -0.013 0.000 1.134 328 L CA 0.586 55.392 54.840 -0.058 0.000 0.807 328 L CB -0.682 41.238 42.059 -0.232 0.000 0.927 328 L HN 0.579 nan 8.230 nan 0.000 0.447 329 G N 0.838 109.628 108.800 -0.017 0.000 2.198 329 G HA2 -0.287 3.674 3.960 0.002 0.000 0.260 329 G HA3 -0.287 3.674 3.960 0.002 0.000 0.260 329 G C 0.154 175.011 174.900 -0.071 0.000 1.025 329 G CA 0.013 45.109 45.100 -0.006 0.000 0.769 329 G HN 0.261 nan 8.290 nan 0.000 0.507 330 L N -0.393 120.762 121.223 -0.113 0.000 2.399 330 L HA 0.813 5.154 4.340 0.002 0.000 0.266 330 L C 1.093 177.745 176.870 -0.364 0.000 1.114 330 L CA -0.664 54.041 54.840 -0.225 0.000 0.804 330 L CB 1.004 43.039 42.059 -0.041 0.000 1.146 330 L HN 0.584 nan 8.230 nan 0.000 0.451 331 R N 1.169 121.267 120.500 -0.669 0.000 2.741 331 R HA 0.504 4.845 4.340 0.002 0.000 0.274 331 R C -2.141 174.096 176.300 -0.104 0.000 1.029 331 R CA -1.040 54.835 56.100 -0.375 0.000 0.880 331 R CB 1.720 31.742 30.300 -0.463 0.000 1.264 331 R HN 0.642 nan 8.270 nan 0.000 0.465 332 W N 1.387 122.652 121.300 -0.058 0.000 3.248 332 W HA 0.330 4.991 4.660 0.002 0.000 0.311 332 W C -1.315 175.302 176.519 0.164 0.000 1.258 332 W CA -0.944 56.464 57.345 0.103 0.000 1.191 332 W CB 1.895 31.326 29.460 -0.049 0.000 1.389 332 W HN 0.690 nan 8.180 nan 0.000 0.561 333 Y N 1.174 121.408 120.300 -0.109 0.000 2.301 333 Y HA 0.551 5.102 4.550 0.002 0.000 0.328 333 Y C 0.818 176.965 175.900 0.412 0.000 1.242 333 Y CA 0.116 58.248 58.100 0.054 0.000 1.323 333 Y CB 0.242 38.603 38.460 -0.164 0.000 1.266 333 Y HN 0.350 nan 8.280 nan 0.000 0.527 334 A N 2.339 125.439 122.820 0.468 0.000 1.970 334 A HA 0.046 4.367 4.320 0.002 0.000 0.216 334 A C 0.555 178.503 177.584 0.605 0.000 1.170 334 A CA 0.429 52.781 52.037 0.526 0.000 0.645 334 A CB -0.343 18.795 19.000 0.230 0.000 0.816 334 A HN 0.677 nan 8.150 nan 0.000 0.447 335 L N 2.001 123.542 121.223 0.530 0.000 2.262 335 L HA 0.408 4.750 4.340 0.002 0.000 0.288 335 L C -2.557 174.481 176.870 0.281 0.000 1.035 335 L CA -2.240 52.803 54.840 0.340 0.000 0.820 335 L CB 1.500 43.672 42.059 0.189 0.000 1.204 335 L HN -0.020 nan 8.230 nan 0.000 0.424 336 P HA 0.350 nan 4.420 nan 0.000 0.295 336 P C -1.468 175.731 177.300 -0.169 0.000 1.354 336 P CA -0.368 62.593 63.100 -0.230 0.000 0.814 336 P CB 1.416 32.553 31.700 -0.939 0.000 0.935 337 A N 4.470 127.195 122.820 -0.159 0.000 2.522 337 A HA 0.403 4.724 4.320 0.002 0.000 0.285 337 A C -0.328 177.027 177.584 -0.381 0.000 1.198 337 A CA -0.647 51.224 52.037 -0.276 0.000 0.742 337 A CB 0.840 19.700 19.000 -0.234 0.000 1.176 337 A HN 0.293 nan 8.150 nan 0.000 0.444 338 V N 2.930 122.454 119.914 -0.650 0.000 2.521 338 V HA 0.242 4.363 4.120 0.002 0.000 0.286 338 V C 1.237 176.926 176.094 -0.674 0.000 1.034 338 V CA 1.201 63.090 62.300 -0.686 0.000 1.045 338 V CB 1.066 32.322 31.823 -0.945 0.000 0.974 338 V HN 1.090 nan 8.190 nan 0.000 0.480 339 S N 1.905 117.419 115.700 -0.310 0.000 2.666 339 S HA 0.048 4.520 4.470 0.002 0.000 0.239 339 S C 0.801 175.390 174.600 -0.018 0.000 1.031 339 S CA 0.076 58.183 58.200 -0.155 0.000 1.015 339 S CB -0.369 62.776 63.200 -0.092 0.000 0.981 339 S HN 0.913 nan 8.310 nan 0.000 0.547 340 N N 0.401 119.098 118.700 -0.006 0.000 2.214 340 N HA 0.310 5.051 4.740 0.002 0.000 0.214 340 N C 0.124 175.694 175.510 0.101 0.000 1.132 340 N CA -0.473 52.614 53.050 0.062 0.000 0.856 340 N CB 0.118 38.644 38.487 0.065 0.000 1.020 340 N HN 0.269 nan 8.380 nan 0.000 0.509 341 M N 1.199 120.876 119.600 0.128 0.000 2.471 341 M HA 0.350 4.832 4.480 0.002 0.000 0.309 341 M C -0.661 175.786 176.300 0.245 0.000 1.186 341 M CA -0.893 54.527 55.300 0.199 0.000 1.008 341 M CB 2.401 35.151 32.600 0.250 0.000 1.551 341 M HN 0.106 nan 8.290 nan 0.000 0.477 342 L N 2.421 123.771 121.223 0.212 0.000 2.309 342 L HA 0.541 4.882 4.340 0.002 0.000 0.282 342 L C -1.412 175.583 176.870 0.208 0.000 1.036 342 L CA -0.949 54.006 54.840 0.191 0.000 0.806 342 L CB 1.241 43.358 42.059 0.097 0.000 1.220 342 L HN 0.574 nan 8.230 nan 0.000 0.429 343 L N 5.190 126.538 121.223 0.208 0.000 2.265 343 L HA 0.447 4.788 4.340 0.002 0.000 0.289 343 L C -0.499 176.395 176.870 0.041 0.000 1.033 343 L CA 0.233 55.090 54.840 0.027 0.000 0.814 343 L CB 1.132 43.217 42.059 0.042 0.000 1.203 343 L HN 0.614 nan 8.230 nan 0.000 0.423 344 E N 6.574 126.708 120.200 -0.109 0.000 2.133 344 E HA 0.401 4.752 4.350 0.002 0.000 0.274 344 E C -1.566 174.943 176.600 -0.151 0.000 0.930 344 E CA -0.420 55.923 56.400 -0.095 0.000 0.770 344 E CB 1.101 30.742 29.700 -0.098 0.000 1.104 344 E HN 0.723 nan 8.360 nan 0.000 0.403 345 I N 2.587 123.073 120.570 -0.141 0.000 2.478 345 I HA 0.262 4.433 4.170 0.002 0.000 0.287 345 I C 0.818 176.721 176.117 -0.357 0.000 1.042 345 I CA -0.678 60.421 61.300 -0.334 0.000 1.067 345 I CB 2.024 39.776 38.000 -0.413 0.000 1.233 345 I HN 0.786 nan 8.210 nan 0.000 0.431 346 G N 4.188 112.811 108.800 -0.295 0.000 2.321 346 G HA2 -0.133 3.828 3.960 0.002 0.000 0.287 346 G HA3 -0.133 3.828 3.960 0.002 0.000 0.287 346 G C 1.032 176.000 174.900 0.112 0.000 1.018 346 G CA 0.831 45.944 45.100 0.022 0.000 0.855 346 G HN 1.564 nan 8.290 nan 0.000 0.507 347 G N -2.044 106.761 108.800 0.008 0.000 2.241 347 G HA2 -0.237 3.724 3.960 0.002 0.000 0.244 347 G HA3 -0.237 3.724 3.960 0.002 0.000 0.244 347 G C 0.517 175.356 174.900 -0.102 0.000 0.998 347 G CA 0.453 45.556 45.100 0.004 0.000 0.621 347 G HN 1.256 nan 8.290 nan 0.000 0.519 348 L N 0.765 121.861 121.223 -0.211 0.000 2.375 348 L HA 0.617 4.958 4.340 0.002 0.000 0.271 348 L C 0.310 176.910 176.870 -0.450 0.000 1.107 348 L CA -0.385 54.199 54.840 -0.427 0.000 0.806 348 L CB 1.108 42.797 42.059 -0.618 0.000 1.146 348 L HN 0.195 nan 8.230 nan 0.000 0.447 349 E N 2.218 122.076 120.200 -0.569 0.000 2.199 349 E HA 0.382 4.733 4.350 0.002 0.000 0.265 349 E C -1.551 174.701 176.600 -0.580 0.000 0.882 349 E CA -0.428 55.724 56.400 -0.414 0.000 0.759 349 E CB 1.825 31.401 29.700 -0.207 0.000 1.148 349 E HN 0.255 nan 8.360 nan 0.000 0.412 350 F N 1.968 121.889 119.950 -0.048 0.000 2.311 350 F HA 0.110 4.638 4.527 0.002 0.000 0.371 350 F C 1.503 177.341 175.800 0.063 0.000 1.083 350 F CA -0.548 57.450 58.000 -0.002 0.000 1.113 350 F CB 1.172 40.155 39.000 -0.029 0.000 1.349 350 F HN 0.435 nan 8.300 nan 0.000 0.470 351 S N 1.357 117.162 115.700 0.174 0.000 2.474 351 S HA 0.154 4.625 4.470 0.002 0.000 0.235 351 S C 0.820 175.553 174.600 0.222 0.000 0.997 351 S CA 0.427 58.727 58.200 0.167 0.000 0.949 351 S CB -0.011 63.266 63.200 0.128 0.000 0.766 351 S HN 0.511 nan 8.310 nan 0.000 0.517 352 A N 0.427 123.425 122.820 0.297 0.000 2.466 352 A HA 0.823 5.144 4.320 0.002 0.000 0.291 352 A C -0.225 177.615 177.584 0.426 0.000 1.234 352 A CA -0.168 52.079 52.037 0.350 0.000 0.752 352 A CB 0.944 20.150 19.000 0.342 0.000 1.153 352 A HN 1.010 nan 8.150 nan 0.000 0.458 353 A N 4.128 127.146 122.820 0.330 0.000 3.277 353 A HA 0.635 4.956 4.320 0.002 0.000 0.281 353 A C -3.034 174.706 177.584 0.260 0.000 1.179 353 A CA -0.949 51.235 52.037 0.245 0.000 0.879 353 A CB 0.444 19.587 19.000 0.237 0.000 1.374 353 A HN 0.505 nan 8.150 nan 0.000 0.590 354 P HA 0.381 nan 4.420 nan 0.000 0.267 354 P C -0.746 176.572 177.300 0.030 0.000 1.205 354 P CA 0.485 63.558 63.100 -0.046 0.000 0.765 354 P CB 0.187 31.817 31.700 -0.117 0.000 0.828 355 F N 0.171 120.050 119.950 -0.118 0.000 2.577 355 F HA 0.781 5.309 4.527 0.002 0.000 0.318 355 F C -0.471 175.232 175.800 -0.162 0.000 1.065 355 F CA -1.130 56.800 58.000 -0.118 0.000 0.929 355 F CB 1.736 40.541 39.000 -0.325 0.000 1.237 355 F HN 0.392 nan 8.300 nan 0.000 0.468 356 S N 0.411 116.165 115.700 0.090 0.000 2.579 356 S HA 0.957 5.428 4.470 0.002 0.000 0.272 356 S C -0.692 173.861 174.600 -0.078 0.000 1.141 356 S CA -0.210 57.980 58.200 -0.017 0.000 0.843 356 S CB 1.514 64.773 63.200 0.098 0.000 1.122 356 S HN 1.412 nan 8.310 nan 0.000 0.468 357 G N -0.124 108.591 108.800 -0.143 0.000 3.418 357 G HA2 0.728 4.689 3.960 0.002 0.000 0.179 357 G HA3 0.728 4.689 3.960 0.002 0.000 0.179 357 G C -1.582 173.329 174.900 0.018 0.000 1.212 357 G CA -0.262 44.699 45.100 -0.232 0.000 0.935 357 G HN 1.150 nan 8.290 nan 0.000 0.716 358 W N -1.462 119.844 121.300 0.010 0.000 3.062 358 W HA 0.816 5.477 4.660 0.002 0.000 0.336 358 W C -1.738 174.791 176.519 0.016 0.000 1.224 358 W CA -2.120 55.251 57.345 0.042 0.000 1.159 358 W CB 0.432 29.963 29.460 0.117 0.000 1.454 358 W HN 0.400 nan 8.180 nan 0.000 0.569 359 Y N 2.493 122.995 120.300 0.335 0.000 2.326 359 Y HA 0.339 4.890 4.550 0.002 0.000 0.333 359 Y C 0.803 176.777 175.900 0.124 0.000 1.240 359 Y CA -0.687 57.492 58.100 0.131 0.000 1.365 359 Y CB 1.202 39.650 38.460 -0.021 0.000 1.289 359 Y HN 0.453 nan 8.280 nan 0.000 0.548 360 M N 1.768 121.524 119.600 0.261 0.000 2.238 360 M HA 0.210 4.691 4.480 0.002 0.000 0.350 360 M C 1.017 177.316 176.300 -0.001 0.000 1.138 360 M CA -0.292 55.088 55.300 0.133 0.000 1.040 360 M CB 1.208 33.863 32.600 0.091 0.000 1.639 360 M HN 0.822 nan 8.290 nan 0.000 0.451 361 S N 1.173 116.832 115.700 -0.070 0.000 2.402 361 S HA -0.188 4.284 4.470 0.002 0.000 0.233 361 S C 1.441 175.900 174.600 -0.234 0.000 1.030 361 S CA 2.096 60.175 58.200 -0.202 0.000 1.003 361 S CB -1.331 61.788 63.200 -0.135 0.000 0.813 361 S HN 0.929 nan 8.310 nan 0.000 0.477 362 T N 0.132 114.573 114.554 -0.187 0.000 2.915 362 T HA -0.007 4.344 4.350 0.002 0.000 0.269 362 T C 1.560 176.100 174.700 -0.267 0.000 1.071 362 T CA 1.159 63.102 62.100 -0.263 0.000 1.132 362 T CB -0.554 68.117 68.868 -0.329 0.000 0.878 362 T HN 0.597 nan 8.240 nan 0.000 0.479 363 E N 0.925 120.987 120.200 -0.230 0.000 2.077 363 E HA -0.044 4.307 4.350 0.002 0.000 0.193 363 E C 2.036 178.360 176.600 -0.461 0.000 0.989 363 E CA 1.323 57.585 56.400 -0.229 0.000 0.800 363 E CB -0.283 29.409 29.700 -0.012 0.000 0.746 363 E HN 0.593 nan 8.360 nan 0.000 0.452 364 I N 0.162 120.335 120.570 -0.661 0.000 2.368 364 I HA -0.052 4.120 4.170 0.002 0.000 0.238 364 I C 2.623 178.396 176.117 -0.573 0.000 1.076 364 I CA 0.883 61.632 61.300 -0.918 0.000 1.397 364 I CB -0.632 36.746 38.000 -1.035 0.000 1.141 364 I HN 0.106 nan 8.210 nan 0.000 0.430 365 G N 0.279 108.842 108.800 -0.395 0.000 2.442 365 G HA2 -0.189 3.772 3.960 0.002 0.000 0.219 365 G HA3 -0.189 3.772 3.960 0.002 0.000 0.219 365 G C 1.598 176.384 174.900 -0.190 0.000 1.141 365 G CA 1.637 46.598 45.100 -0.232 0.000 0.763 365 G HN 0.312 nan 8.290 nan 0.000 0.554 366 T N -0.105 114.311 114.554 -0.230 0.000 2.990 366 T HA 0.101 4.452 4.350 0.002 0.000 0.237 366 T C 2.528 177.116 174.700 -0.186 0.000 1.009 366 T CA 0.288 62.273 62.100 -0.192 0.000 1.195 366 T CB 0.042 68.778 68.868 -0.220 0.000 0.885 366 T HN 0.012 nan 8.240 nan 0.000 0.424 367 R N 2.039 122.407 120.500 -0.219 0.000 2.064 367 R HA 0.115 4.456 4.340 0.002 0.000 0.228 367 R C 2.192 178.369 176.300 -0.204 0.000 1.144 367 R CA 1.160 57.141 56.100 -0.198 0.000 0.932 367 R CB -1.272 28.914 30.300 -0.191 0.000 0.833 367 R HN 0.320 nan 8.270 nan 0.000 0.429 368 N N 0.980 119.502 118.700 -0.296 0.000 2.104 368 N HA -0.106 4.635 4.740 0.002 0.000 0.190 368 N C 1.958 177.377 175.510 -0.152 0.000 1.024 368 N CA 1.124 53.988 53.050 -0.311 0.000 0.853 368 N CB -0.247 37.710 38.487 -0.884 0.000 1.008 368 N HN 0.197 nan 8.380 nan 0.000 0.424 369 L N -0.958 120.139 121.223 -0.210 0.000 2.298 369 L HA 0.080 4.421 4.340 0.002 0.000 0.209 369 L C 1.410 178.304 176.870 0.040 0.000 1.084 369 L CA 0.401 55.219 54.840 -0.037 0.000 0.816 369 L CB 0.197 42.214 42.059 -0.069 0.000 0.967 369 L HN 0.161 nan 8.230 nan 0.000 0.460 370 C N -1.469 117.815 119.300 -0.027 0.000 3.065 370 C HA 0.162 4.623 4.460 0.002 0.000 0.285 370 C C 0.724 175.700 174.990 -0.024 0.000 1.257 370 C CA -0.910 58.105 59.018 -0.005 0.000 1.691 370 C CB -0.347 27.377 27.740 -0.027 0.000 2.089 370 C HN 0.299 nan 8.230 nan 0.000 0.630 371 D N 2.839 123.194 120.400 -0.075 0.000 2.472 371 D HA 0.038 4.679 4.640 0.002 0.000 0.237 371 D C -1.038 175.236 176.300 -0.043 0.000 1.141 371 D CA -1.271 52.665 54.000 -0.108 0.000 0.875 371 D CB 0.648 41.244 40.800 -0.341 0.000 1.192 371 D HN 0.190 nan 8.370 nan 0.000 0.450 372 P HA -0.163 nan 4.420 nan 0.000 0.218 372 P C 0.699 178.087 177.300 0.147 0.000 1.149 372 P CA 1.387 64.563 63.100 0.127 0.000 0.817 372 P CB 0.000 31.793 31.700 0.154 0.000 0.785 373 H N -2.325 116.755 119.070 0.018 0.000 2.517 373 H HA 0.356 4.913 4.556 0.002 0.000 0.282 373 H C 1.007 176.347 175.328 0.019 0.000 1.023 373 H CA -0.288 55.768 56.048 0.015 0.000 1.169 373 H CB -0.107 29.664 29.762 0.015 0.000 1.454 373 H HN -0.022 nan 8.280 nan 0.000 0.556 374 R N -0.131 120.263 120.500 -0.177 0.000 3.006 374 R HA 0.181 4.522 4.340 0.002 0.000 0.150 374 R C 1.085 177.366 176.300 -0.032 0.000 1.285 374 R CA -0.703 55.340 56.100 -0.095 0.000 0.813 374 R CB -0.851 29.404 30.300 -0.076 0.000 1.582 374 R HN 0.093 nan 8.270 nan 0.000 0.441 375 Y N 1.553 121.860 120.300 0.011 0.000 2.497 375 Y HA -0.100 4.451 4.550 0.002 0.000 0.292 375 Y C 0.702 176.623 175.900 0.035 0.000 1.137 375 Y CA 1.027 59.151 58.100 0.041 0.000 1.285 375 Y CB -0.428 38.094 38.460 0.104 0.000 0.991 375 Y HN 0.507 nan 8.280 nan 0.000 0.556 376 N N 0.744 119.528 118.700 0.141 0.000 2.686 376 N HA -0.233 4.508 4.740 0.002 0.000 0.261 376 N C 0.353 175.941 175.510 0.131 0.000 1.001 376 N CA 0.812 53.924 53.050 0.104 0.000 0.764 376 N CB -1.276 37.255 38.487 0.074 0.000 0.898 376 N HN 0.656 nan 8.380 nan 0.000 0.544 377 I N -3.386 117.276 120.570 0.153 0.000 3.793 377 I HA 0.091 4.262 4.170 0.002 0.000 0.315 377 I C 1.529 177.744 176.117 0.163 0.000 1.275 377 I CA -0.425 60.967 61.300 0.154 0.000 1.214 377 I CB -0.089 38.008 38.000 0.162 0.000 1.018 377 I HN 0.107 nan 8.210 nan 0.000 0.439 378 L N 1.975 123.301 121.223 0.170 0.000 1.997 378 L HA -0.259 4.082 4.340 0.002 0.000 0.216 378 L C 2.609 179.684 176.870 0.342 0.000 1.074 378 L CA 2.283 57.257 54.840 0.224 0.000 0.763 378 L CB -0.945 41.212 42.059 0.162 0.000 0.890 378 L HN 0.511 nan 8.230 nan 0.000 0.434 379 E N -1.221 119.176 120.200 0.328 0.000 2.106 379 E HA -0.218 4.133 4.350 0.002 0.000 0.192 379 E C 1.696 178.339 176.600 0.071 0.000 0.984 379 E CA 1.204 57.736 56.400 0.220 0.000 0.806 379 E CB 0.058 29.830 29.700 0.120 0.000 0.750 379 E HN 0.503 nan 8.360 nan 0.000 0.458 380 D N -0.024 120.421 120.400 0.075 0.000 2.097 380 D HA -0.142 4.499 4.640 0.002 0.000 0.195 380 D C 2.046 178.352 176.300 0.010 0.000 0.989 380 D CA 1.069 55.080 54.000 0.018 0.000 0.827 380 D CB -0.188 40.632 40.800 0.033 0.000 0.966 380 D HN 0.125 nan 8.370 nan 0.000 0.456 381 V N 1.480 121.461 119.914 0.111 0.000 2.427 381 V HA -0.200 3.921 4.120 0.002 0.000 0.248 381 V C 2.536 178.715 176.094 0.142 0.000 1.051 381 V CA 1.636 64.056 62.300 0.199 0.000 1.048 381 V CB -0.782 31.247 31.823 0.343 0.000 0.666 381 V HN 0.165 nan 8.190 nan 0.000 0.456 382 A N -0.062 122.851 122.820 0.155 0.000 1.902 382 A HA -0.157 4.165 4.320 0.002 0.000 0.217 382 A C 2.396 179.944 177.584 -0.060 0.000 1.181 382 A CA 2.113 54.226 52.037 0.127 0.000 0.623 382 A CB -0.671 18.457 19.000 0.215 0.000 0.818 382 A HN 0.337 nan 8.150 nan 0.000 0.443 383 V N -0.834 118.999 119.914 -0.135 0.000 2.358 383 V HA -0.302 3.819 4.120 0.002 0.000 0.246 383 V C 2.623 178.547 176.094 -0.283 0.000 1.047 383 V CA 1.970 64.150 62.300 -0.200 0.000 1.035 383 V CB -1.080 30.634 31.823 -0.183 0.000 0.658 383 V HN 0.708 nan 8.190 nan 0.000 0.452 384 C N -0.344 118.710 119.300 -0.410 0.000 2.422 384 C HA -0.148 4.313 4.460 0.002 0.000 0.279 384 C C 2.649 177.121 174.990 -0.864 0.000 1.305 384 C CA 1.034 59.542 59.018 -0.850 0.000 1.757 384 C CB -1.037 25.851 27.740 -1.420 0.000 1.962 384 C HN 0.529 nan 8.230 nan 0.000 0.499 385 M N 0.039 119.400 119.600 -0.399 0.000 2.618 385 M HA 0.029 4.510 4.480 0.002 0.000 0.240 385 M C 0.539 176.801 176.300 -0.063 0.000 1.123 385 M CA 0.767 56.033 55.300 -0.057 0.000 1.060 385 M CB -0.318 32.377 32.600 0.158 0.000 1.535 385 M HN 0.223 nan 8.290 nan 0.000 0.507 386 D N 1.823 122.137 120.400 -0.143 0.000 2.689 386 D HA -0.161 4.480 4.640 0.002 0.000 0.237 386 D C -0.903 175.360 176.300 -0.062 0.000 1.148 386 D CA 0.533 54.467 54.000 -0.111 0.000 0.656 386 D CB -0.975 39.771 40.800 -0.091 0.000 1.050 386 D HN 0.303 nan 8.370 nan 0.000 0.426 387 L N -0.093 121.096 121.223 -0.056 0.000 2.416 387 L HA 0.332 4.673 4.340 0.002 0.000 0.262 387 L C 1.062 177.875 176.870 -0.096 0.000 1.093 387 L CA -0.764 54.069 54.840 -0.012 0.000 0.801 387 L CB 0.628 42.742 42.059 0.092 0.000 1.191 387 L HN -0.022 nan 8.230 nan 0.000 0.459 388 D N 0.542 120.911 120.400 -0.052 0.000 2.470 388 D HA 0.007 4.648 4.640 0.002 0.000 0.226 388 D C 1.023 177.171 176.300 -0.253 0.000 1.196 388 D CA -0.181 53.757 54.000 -0.104 0.000 0.979 388 D CB 0.612 41.404 40.800 -0.014 0.000 1.059 388 D HN 0.584 nan 8.370 nan 0.000 0.515 389 T N 0.355 114.578 114.554 -0.552 0.000 3.252 389 T HA -0.011 4.340 4.350 0.002 0.000 0.250 389 T C 1.585 176.001 174.700 -0.474 0.000 1.123 389 T CA -0.096 61.333 62.100 -1.118 0.000 1.006 389 T CB 0.009 68.099 68.868 -1.297 0.000 0.992 389 T HN 0.269 nan 8.240 nan 0.000 0.547 390 R N 0.502 120.874 120.500 -0.215 0.000 2.115 390 R HA 0.021 4.362 4.340 0.002 0.000 0.230 390 R C 0.535 176.848 176.300 0.023 0.000 1.111 390 R CA 1.082 57.135 56.100 -0.080 0.000 0.976 390 R CB -0.082 30.186 30.300 -0.053 0.000 0.870 390 R HN 0.433 nan 8.270 nan 0.000 0.445 391 T N -2.022 112.591 114.554 0.098 0.000 2.900 391 T HA 0.137 4.488 4.350 0.002 0.000 0.303 391 T C 0.885 175.768 174.700 0.306 0.000 1.142 391 T CA -0.162 62.038 62.100 0.167 0.000 1.007 391 T CB 1.872 70.801 68.868 0.102 0.000 1.156 391 T HN 0.276 nan 8.240 nan 0.000 0.490 392 T N 0.371 115.059 114.554 0.224 0.000 2.821 392 T HA -0.089 4.262 4.350 0.002 0.000 0.267 392 T C 2.083 176.837 174.700 0.090 0.000 1.046 392 T CA 1.740 63.927 62.100 0.144 0.000 1.139 392 T CB -0.802 68.099 68.868 0.055 0.000 0.871 392 T HN 0.703 nan 8.240 nan 0.000 0.454 393 S N 2.224 117.979 115.700 0.091 0.000 2.537 393 S HA -0.083 4.388 4.470 0.002 0.000 0.240 393 S C 2.085 176.734 174.600 0.082 0.000 0.981 393 S CA 0.890 59.129 58.200 0.065 0.000 0.948 393 S CB -0.919 62.313 63.200 0.053 0.000 0.759 393 S HN 0.784 nan 8.310 nan 0.000 0.531 394 S N 1.490 117.276 115.700 0.144 0.000 2.562 394 S HA 0.258 4.729 4.470 0.002 0.000 0.221 394 S C 0.930 175.617 174.600 0.144 0.000 0.975 394 S CA 0.111 58.403 58.200 0.154 0.000 0.918 394 S CB -0.933 62.392 63.200 0.208 0.000 0.772 394 S HN 0.596 nan 8.310 nan 0.000 0.531 395 L N 0.892 122.167 121.223 0.087 0.000 3.843 395 L HA -0.182 4.159 4.340 0.002 0.000 0.411 395 L C 1.674 178.553 176.870 0.014 0.000 1.205 395 L CA 0.702 55.533 54.840 -0.016 0.000 0.945 395 L CB -2.442 39.617 42.059 -0.001 0.000 1.929 395 L HN 0.732 nan 8.230 nan 0.000 0.934 396 W N -0.002 121.309 121.300 0.018 0.000 2.363 396 W HA -0.152 4.509 4.660 0.001 0.000 0.296 396 W C 1.742 178.279 176.519 0.029 0.000 1.212 396 W CA 1.337 58.697 57.345 0.024 0.000 1.260 396 W CB -0.741 28.730 29.460 0.018 0.000 1.131 396 W HN 0.277 nan 8.180 nan 0.000 0.530 397 K N 1.067 121.036 120.400 -0.718 0.000 2.057 397 K HA -0.169 4.152 4.320 0.002 0.000 0.207 397 K C 1.527 177.987 176.600 -0.234 0.000 1.049 397 K CA 2.387 58.281 56.287 -0.654 0.000 0.931 397 K CB -0.360 31.595 32.500 -0.910 0.000 0.714 397 K HN 0.071 nan 8.250 nan 0.000 0.440 398 D N 0.588 120.875 120.400 -0.189 0.000 2.117 398 D HA -0.120 4.521 4.640 0.002 0.000 0.197 398 D C 1.679 177.971 176.300 -0.014 0.000 0.987 398 D CA 1.176 55.122 54.000 -0.089 0.000 0.829 398 D CB 0.053 40.808 40.800 -0.075 0.000 0.961 398 D HN 0.118 nan 8.370 nan 0.000 0.460 399 K N 0.536 120.954 120.400 0.031 0.000 2.026 399 K HA -0.026 4.295 4.320 0.002 0.000 0.208 399 K C 2.229 178.894 176.600 0.108 0.000 1.048 399 K CA 1.121 57.456 56.287 0.080 0.000 0.929 399 K CB -0.169 32.401 32.500 0.116 0.000 0.713 399 K HN 0.084 nan 8.250 nan 0.000 0.439 400 A N 1.656 124.562 122.820 0.143 0.000 1.877 400 A HA -0.138 4.183 4.320 0.002 0.000 0.216 400 A C 2.405 180.071 177.584 0.137 0.000 1.186 400 A CA 1.906 54.056 52.037 0.188 0.000 0.620 400 A CB -0.773 18.378 19.000 0.252 0.000 0.822 400 A HN 0.339 nan 8.150 nan 0.000 0.443 401 A N -0.526 122.333 122.820 0.065 0.000 1.883 401 A HA -0.062 4.259 4.320 0.002 0.000 0.217 401 A C 2.250 179.845 177.584 0.019 0.000 1.186 401 A CA 1.959 54.009 52.037 0.021 0.000 0.624 401 A CB -1.079 17.897 19.000 -0.040 0.000 0.822 401 A HN 0.428 nan 8.150 nan 0.000 0.444 402 V N 0.383 120.313 119.914 0.027 0.000 2.287 402 V HA -0.236 3.885 4.120 0.002 0.000 0.248 402 V C 2.579 178.699 176.094 0.044 0.000 1.053 402 V CA 2.219 64.539 62.300 0.034 0.000 1.027 402 V CB -0.743 31.108 31.823 0.047 0.000 0.646 402 V HN 0.537 nan 8.190 nan 0.000 0.447 403 E N -0.139 120.108 120.200 0.079 0.000 2.110 403 E HA -0.136 4.215 4.350 0.002 0.000 0.193 403 E C 2.134 178.746 176.600 0.020 0.000 0.988 403 E CA 1.202 57.665 56.400 0.104 0.000 0.804 403 E CB -0.291 29.480 29.700 0.119 0.000 0.745 403 E HN 0.589 nan 8.360 nan 0.000 0.458 404 I N 1.249 121.856 120.570 0.062 0.000 2.252 404 I HA -0.276 3.896 4.170 0.002 0.000 0.245 404 I C 1.683 177.774 176.117 -0.042 0.000 1.102 404 I CA 1.040 62.379 61.300 0.064 0.000 1.385 404 I CB -0.289 37.813 38.000 0.171 0.000 1.064 404 I HN 0.045 nan 8.210 nan 0.000 0.414 405 N N 0.596 119.269 118.700 -0.046 0.000 2.188 405 N HA -0.158 4.583 4.740 0.002 0.000 0.184 405 N C 1.663 177.124 175.510 -0.081 0.000 1.018 405 N CA 0.769 53.774 53.050 -0.074 0.000 0.858 405 N CB -0.157 38.295 38.487 -0.058 0.000 0.989 405 N HN 0.150 nan 8.380 nan 0.000 0.426 406 L N 0.601 121.767 121.223 -0.094 0.000 2.093 406 L HA 0.043 4.384 4.340 0.002 0.000 0.208 406 L C 1.956 178.685 176.870 -0.235 0.000 1.085 406 L CA 1.243 55.992 54.840 -0.152 0.000 0.755 406 L CB -0.748 41.196 42.059 -0.192 0.000 0.904 406 L HN 0.147 nan 8.230 nan 0.000 0.435 407 A N -1.315 121.312 122.820 -0.323 0.000 1.933 407 A HA -0.124 4.197 4.320 0.002 0.000 0.218 407 A C 2.242 179.770 177.584 -0.095 0.000 1.175 407 A CA 1.839 53.654 52.037 -0.371 0.000 0.628 407 A CB -0.974 17.516 19.000 -0.849 0.000 0.814 407 A HN 0.283 nan 8.150 nan 0.000 0.444 408 V N 0.034 119.905 119.914 -0.071 0.000 2.261 408 V HA -0.258 3.863 4.120 0.002 0.000 0.246 408 V C 2.577 178.682 176.094 0.018 0.000 1.047 408 V CA 1.996 64.289 62.300 -0.011 0.000 1.015 408 V CB -0.803 30.929 31.823 -0.152 0.000 0.642 408 V HN 0.568 nan 8.190 nan 0.000 0.446 409 L N -0.496 120.704 121.223 -0.038 0.000 2.012 409 L HA -0.241 4.100 4.340 0.002 0.000 0.210 409 L C 2.640 179.538 176.870 0.047 0.000 1.073 409 L CA 2.258 57.094 54.840 -0.007 0.000 0.748 409 L CB -0.835 41.214 42.059 -0.017 0.000 0.891 409 L HN 0.493 nan 8.230 nan 0.000 0.431 410 H N -0.307 118.721 119.070 -0.070 0.000 2.319 410 H HA -0.161 4.396 4.556 0.002 0.000 0.299 410 H C 2.333 177.651 175.328 -0.016 0.000 1.092 410 H CA 2.088 58.087 56.048 -0.082 0.000 1.302 410 H CB -0.058 29.591 29.762 -0.190 0.000 1.373 410 H HN 0.168 nan 8.280 nan 0.000 0.497 411 S N -0.434 115.207 115.700 -0.099 0.000 2.356 411 S HA -0.127 4.344 4.470 0.002 0.000 0.223 411 S C 2.064 176.643 174.600 -0.037 0.000 1.032 411 S CA 1.314 59.456 58.200 -0.097 0.000 1.005 411 S CB -0.574 62.677 63.200 0.085 0.000 0.867 411 S HN 0.395 nan 8.310 nan 0.000 0.449 412 F N 1.824 121.716 119.950 -0.096 0.000 2.171 412 F HA -0.140 4.388 4.527 0.002 0.000 0.300 412 F C 2.811 178.559 175.800 -0.087 0.000 1.090 412 F CA 1.110 59.076 58.000 -0.057 0.000 1.293 412 F CB -0.271 38.719 39.000 -0.015 0.000 1.013 412 F HN 0.201 nan 8.300 nan 0.000 0.486 413 Q N -0.333 119.504 119.800 0.061 0.000 2.124 413 Q HA -0.226 4.115 4.340 0.002 0.000 0.202 413 Q C 2.144 178.085 176.000 -0.098 0.000 0.977 413 Q CA 1.394 57.182 55.803 -0.025 0.000 0.850 413 Q CB -0.318 28.397 28.738 -0.038 0.000 0.901 413 Q HN 0.353 nan 8.270 nan 0.000 0.429 414 L N 0.168 121.276 121.223 -0.192 0.000 2.056 414 L HA -0.061 4.280 4.340 0.002 0.000 0.207 414 L C 1.924 178.709 176.870 -0.140 0.000 1.078 414 L CA 1.904 56.621 54.840 -0.206 0.000 0.749 414 L CB -0.537 41.322 42.059 -0.333 0.000 0.901 414 L HN 0.108 nan 8.230 nan 0.000 0.433 415 A N -1.372 121.358 122.820 -0.150 0.000 2.235 415 A HA -0.023 4.298 4.320 0.002 0.000 0.208 415 A C 0.984 178.499 177.584 -0.115 0.000 1.172 415 A CA 0.271 52.222 52.037 -0.144 0.000 0.786 415 A CB -0.509 18.363 19.000 -0.213 0.000 0.804 415 A HN 0.473 nan 8.150 nan 0.000 0.479 416 K N -1.052 119.295 120.400 -0.089 0.000 3.150 416 K HA -0.126 4.195 4.320 0.002 0.000 0.267 416 K C -0.868 175.699 176.600 -0.055 0.000 1.028 416 K CA 0.716 56.965 56.287 -0.063 0.000 0.753 416 K CB -2.117 30.348 32.500 -0.060 0.000 1.288 416 K HN 0.263 nan 8.250 nan 0.000 0.473 417 V N 1.112 121.002 119.914 -0.039 0.000 2.495 417 V HA 0.151 4.272 4.120 0.002 0.000 0.298 417 V C 0.757 176.936 176.094 0.142 0.000 1.031 417 V CA -0.692 61.614 62.300 0.011 0.000 0.871 417 V CB 1.987 33.733 31.823 -0.128 0.000 0.988 417 V HN 0.250 nan 8.190 nan 0.000 0.432 418 T N 6.253 120.849 114.554 0.070 0.000 2.905 418 T HA 0.386 4.737 4.350 0.002 0.000 0.299 418 T C -0.252 174.515 174.700 0.112 0.000 1.024 418 T CA 0.993 63.062 62.100 -0.053 0.000 1.151 418 T CB -0.009 68.683 68.868 -0.292 0.000 0.987 418 T HN 0.574 nan 8.240 nan 0.000 0.535 419 I N 2.412 122.982 120.570 -0.000 0.000 2.947 419 I HA 0.613 4.784 4.170 0.002 0.000 0.301 419 I C -1.672 174.473 176.117 0.047 0.000 1.453 419 I CA -0.887 60.458 61.300 0.075 0.000 0.984 419 I CB 1.882 39.860 38.000 -0.038 0.000 1.333 419 I HN 0.449 nan 8.210 nan 0.000 0.475 420 V N 4.804 124.804 119.914 0.144 0.000 2.709 420 V HA 0.530 4.651 4.120 0.002 0.000 0.308 420 V C -1.276 174.877 176.094 0.097 0.000 1.062 420 V CA -0.258 62.128 62.300 0.142 0.000 0.901 420 V CB 2.169 34.163 31.823 0.286 0.000 1.003 420 V HN 0.878 nan 8.190 nan 0.000 0.425 421 D N 3.994 124.432 120.400 0.062 0.000 2.354 421 D HA 0.197 4.839 4.640 0.002 0.000 0.247 421 D C 1.259 177.575 176.300 0.027 0.000 1.138 421 D CA 0.192 54.220 54.000 0.047 0.000 0.958 421 D CB 0.488 41.290 40.800 0.004 0.000 1.144 421 D HN 0.735 nan 8.370 nan 0.000 0.458 422 H N -0.107 118.891 119.070 -0.121 0.000 2.489 422 H HA -0.130 4.427 4.556 0.002 0.000 0.293 422 H C 0.912 176.126 175.328 -0.191 0.000 1.066 422 H CA 1.272 57.209 56.048 -0.183 0.000 1.305 422 H CB -0.522 29.074 29.762 -0.277 0.000 1.386 422 H HN 0.518 nan 8.280 nan 0.000 0.551 423 H N 1.116 119.999 119.070 -0.312 0.000 2.333 423 H HA 0.168 4.726 4.556 0.002 0.000 0.302 423 H C 2.524 177.829 175.328 -0.037 0.000 1.075 423 H CA 1.311 57.256 56.048 -0.172 0.000 1.348 423 H CB -0.298 29.327 29.762 -0.229 0.000 1.393 423 H HN 0.500 nan 8.280 nan 0.000 0.509 424 A N 1.433 124.308 122.820 0.092 0.000 1.902 424 A HA -0.084 4.237 4.320 0.002 0.000 0.217 424 A C 2.685 180.340 177.584 0.119 0.000 1.181 424 A CA 1.744 53.839 52.037 0.096 0.000 0.623 424 A CB -0.813 18.235 19.000 0.081 0.000 0.818 424 A HN 0.428 nan 8.150 nan 0.000 0.443 425 A N -0.161 122.728 122.820 0.116 0.000 1.877 425 A HA -0.126 4.195 4.320 0.002 0.000 0.216 425 A C 2.452 180.133 177.584 0.162 0.000 1.186 425 A CA 2.634 54.758 52.037 0.145 0.000 0.620 425 A CB -1.441 17.633 19.000 0.123 0.000 0.822 425 A HN 0.769 nan 8.150 nan 0.000 0.443 426 T N -2.801 111.833 114.554 0.133 0.000 2.867 426 T HA -0.059 4.292 4.350 0.002 0.000 0.268 426 T C 1.671 176.502 174.700 0.217 0.000 1.057 426 T CA 1.324 63.529 62.100 0.175 0.000 1.136 426 T CB -0.631 68.308 68.868 0.120 0.000 0.874 426 T HN 0.050 nan 8.240 nan 0.000 0.466 427 V N 2.787 122.802 119.914 0.168 0.000 2.358 427 V HA -0.159 3.962 4.120 0.002 0.000 0.246 427 V C 3.204 179.389 176.094 0.151 0.000 1.047 427 V CA 2.030 64.418 62.300 0.147 0.000 1.035 427 V CB -0.854 31.037 31.823 0.113 0.000 0.658 427 V HN 0.797 nan 8.190 nan 0.000 0.452 428 S N -0.236 115.564 115.700 0.167 0.000 2.402 428 S HA -0.210 4.262 4.470 0.002 0.000 0.229 428 S C 1.967 176.691 174.600 0.207 0.000 1.021 428 S CA 1.429 59.729 58.200 0.166 0.000 0.974 428 S CB -0.719 62.583 63.200 0.171 0.000 0.800 428 S HN 0.496 nan 8.310 nan 0.000 0.484 429 F N 2.266 122.281 119.950 0.110 0.000 2.186 429 F HA 0.097 4.626 4.527 0.002 0.000 0.299 429 F C 2.254 178.146 175.800 0.154 0.000 1.090 429 F CA 1.111 59.192 58.000 0.135 0.000 1.307 429 F CB -0.357 38.704 39.000 0.101 0.000 1.019 429 F HN 0.095 nan 8.300 nan 0.000 0.489 430 M N 0.232 119.894 119.600 0.102 0.000 2.159 430 M HA -0.199 4.283 4.480 0.002 0.000 0.263 430 M C 2.043 178.314 176.300 -0.047 0.000 1.063 430 M CA 1.559 56.866 55.300 0.011 0.000 1.110 430 M CB -1.183 31.475 32.600 0.097 0.000 1.374 430 M HN 0.135 nan 8.290 nan 0.000 0.411 431 K N -1.178 119.228 120.400 0.009 0.000 2.057 431 K HA -0.204 4.117 4.320 0.002 0.000 0.206 431 K C 2.014 178.600 176.600 -0.023 0.000 1.050 431 K CA 1.451 57.743 56.287 0.008 0.000 0.935 431 K CB -0.416 32.114 32.500 0.050 0.000 0.715 431 K HN 0.301 nan 8.250 nan 0.000 0.439 432 H N 1.237 120.224 119.070 -0.139 0.000 2.352 432 H HA -0.061 4.496 4.556 0.002 0.000 0.299 432 H C 1.768 176.939 175.328 -0.261 0.000 1.097 432 H CA 1.560 57.502 56.048 -0.176 0.000 1.311 432 H CB -0.210 29.424 29.762 -0.213 0.000 1.377 432 H HN 0.043 nan 8.280 nan 0.000 0.504 433 L N -0.318 120.614 121.223 -0.484 0.000 2.042 433 L HA -0.178 4.163 4.340 0.002 0.000 0.210 433 L C 2.336 179.046 176.870 -0.266 0.000 1.076 433 L CA 1.895 56.472 54.840 -0.438 0.000 0.749 433 L CB -0.510 41.346 42.059 -0.339 0.000 0.893 433 L HN 0.380 nan 8.230 nan 0.000 0.432 434 D N -0.106 120.188 120.400 -0.177 0.000 2.117 434 D HA -0.186 4.455 4.640 0.002 0.000 0.197 434 D C 1.951 178.184 176.300 -0.110 0.000 0.987 434 D CA 1.137 55.072 54.000 -0.108 0.000 0.829 434 D CB 0.090 40.853 40.800 -0.062 0.000 0.961 434 D HN 0.150 nan 8.370 nan 0.000 0.460 435 N N 0.463 119.090 118.700 -0.121 0.000 2.104 435 N HA -0.138 4.603 4.740 0.002 0.000 0.190 435 N C 1.588 177.026 175.510 -0.119 0.000 1.024 435 N CA 0.871 53.871 53.050 -0.084 0.000 0.853 435 N CB -0.246 38.224 38.487 -0.028 0.000 1.008 435 N HN 0.341 nan 8.380 nan 0.000 0.424 436 E N 0.576 120.626 120.200 -0.251 0.000 2.152 436 E HA -0.134 4.217 4.350 0.002 0.000 0.192 436 E C 1.865 178.379 176.600 -0.143 0.000 0.983 436 E CA 0.477 56.730 56.400 -0.244 0.000 0.818 436 E CB -0.103 29.341 29.700 -0.427 0.000 0.758 436 E HN 0.332 nan 8.360 nan 0.000 0.467 437 Q N 1.494 121.218 119.800 -0.128 0.000 2.124 437 Q HA -0.113 4.228 4.340 0.002 0.000 0.202 437 Q C 1.723 177.690 176.000 -0.056 0.000 0.977 437 Q CA 1.616 57.373 55.803 -0.075 0.000 0.850 437 Q CB 0.070 28.769 28.738 -0.065 0.000 0.901 437 Q HN 0.130 nan 8.270 nan 0.000 0.429 438 K N -0.883 119.484 120.400 -0.055 0.000 2.076 438 K HA 0.058 4.379 4.320 0.002 0.000 0.204 438 K C 2.017 178.599 176.600 -0.031 0.000 1.051 438 K CA 0.974 57.238 56.287 -0.037 0.000 0.949 438 K CB -0.128 32.354 32.500 -0.030 0.000 0.726 438 K HN 0.219 nan 8.250 nan 0.000 0.443 439 A N 1.291 124.093 122.820 -0.030 0.000 1.898 439 A HA -0.046 4.275 4.320 0.002 0.000 0.214 439 A C 1.773 179.345 177.584 -0.021 0.000 1.183 439 A CA 1.094 53.124 52.037 -0.012 0.000 0.622 439 A CB 0.003 19.012 19.000 0.015 0.000 0.824 439 A HN 0.153 nan 8.150 nan 0.000 0.444 440 R N -2.570 117.907 120.500 -0.039 0.000 2.531 440 R HA 0.267 4.608 4.340 0.002 0.000 0.316 440 R C 0.825 177.108 176.300 -0.028 0.000 0.955 440 R CA 0.509 56.590 56.100 -0.031 0.000 1.120 440 R CB 0.728 31.005 30.300 -0.037 0.000 1.361 440 R HN 0.674 nan 8.270 nan 0.000 0.534 441 G N 0.834 109.612 108.800 -0.036 0.000 2.136 441 G HA2 -0.187 3.774 3.960 0.002 0.000 0.242 441 G HA3 -0.187 3.774 3.960 0.002 0.000 0.242 441 G C 0.220 175.119 174.900 -0.003 0.000 0.989 441 G CA 0.040 45.119 45.100 -0.035 0.000 0.682 441 G HN 0.727 nan 8.290 nan 0.000 0.522 442 G N -2.390 106.412 108.800 0.003 0.000 2.341 442 G HA2 0.548 4.509 3.960 0.002 0.000 0.293 442 G HA3 0.548 4.509 3.960 0.002 0.000 0.293 442 G C -0.867 174.053 174.900 0.033 0.000 1.298 442 G CA 0.447 45.580 45.100 0.055 0.000 0.868 442 G HN 1.960 nan 8.290 nan 0.000 0.540 443 C N 1.862 121.208 119.300 0.078 0.000 2.817 443 C HA 0.703 5.164 4.460 0.002 0.000 0.385 443 C C -2.596 172.372 174.990 -0.038 0.000 1.050 443 C CA -1.063 57.948 59.018 -0.013 0.000 1.245 443 C CB 1.282 28.952 27.740 -0.117 0.000 1.706 443 C HN 0.723 nan 8.230 nan 0.000 0.488 444 P HA 0.424 nan 4.420 nan 0.000 0.271 444 P C -0.695 176.502 177.300 -0.172 0.000 1.226 444 P CA 0.515 63.237 63.100 -0.630 0.000 0.765 444 P CB 1.160 32.241 31.700 -1.031 0.000 0.835 445 A N 2.614 125.404 122.820 -0.051 0.000 2.488 445 A HA 0.404 4.726 4.320 0.002 0.000 0.298 445 A C -1.076 176.572 177.584 0.107 0.000 1.044 445 A CA -0.555 51.545 52.037 0.105 0.000 0.693 445 A CB 1.278 20.456 19.000 0.297 0.000 1.272 445 A HN 0.443 nan 8.150 nan 0.000 0.402 446 D N 2.094 122.550 120.400 0.093 0.000 2.467 446 D HA 0.139 4.780 4.640 0.002 0.000 0.220 446 D C 0.851 177.299 176.300 0.247 0.000 1.103 446 D CA -0.501 53.588 54.000 0.148 0.000 0.886 446 D CB 0.301 41.133 40.800 0.055 0.000 1.025 446 D HN 0.592 nan 8.370 nan 0.000 0.514 447 W N 4.210 125.564 121.300 0.091 0.000 2.290 447 W HA -0.339 4.322 4.660 0.002 0.000 0.318 447 W C 1.968 178.540 176.519 0.087 0.000 1.248 447 W CA 2.536 59.923 57.345 0.071 0.000 1.263 447 W CB -0.010 29.466 29.460 0.028 0.000 1.147 447 W HN 0.565 nan 8.180 nan 0.000 0.494 448 A N -1.528 121.586 122.820 0.490 0.000 2.019 448 A HA -0.195 4.126 4.320 0.002 0.000 0.219 448 A C 1.426 179.083 177.584 0.122 0.000 1.164 448 A CA 1.619 53.862 52.037 0.343 0.000 0.644 448 A CB -1.203 18.027 19.000 0.383 0.000 0.805 448 A HN 0.536 nan 8.150 nan 0.000 0.449 449 W N -1.134 120.153 121.300 -0.022 0.000 2.872 449 W HA 0.239 4.900 4.660 0.002 0.000 0.266 449 W C 1.755 178.175 176.519 -0.165 0.000 1.276 449 W CA -0.214 57.091 57.345 -0.066 0.000 1.471 449 W CB 0.054 29.501 29.460 -0.022 0.000 1.071 449 W HN 0.131 nan 8.180 nan 0.000 0.619 450 I N -0.275 120.266 120.570 -0.048 0.000 2.406 450 I HA -0.043 4.128 4.170 0.002 0.000 0.249 450 I C 0.674 176.603 176.117 -0.312 0.000 1.122 450 I CA 0.739 61.884 61.300 -0.259 0.000 1.431 450 I CB -1.392 36.396 38.000 -0.353 0.000 1.087 450 I HN -0.423 nan 8.210 nan 0.000 0.424 451 V N 3.970 123.617 119.914 -0.444 0.000 2.521 451 V HA 0.088 4.209 4.120 0.002 0.000 0.286 451 V C -1.911 174.012 176.094 -0.285 0.000 1.034 451 V CA -1.039 60.986 62.300 -0.458 0.000 1.045 451 V CB 0.192 31.507 31.823 -0.847 0.000 0.974 451 V HN 0.120 nan 8.190 nan 0.000 0.480 452 P HA 0.114 nan 4.420 nan 0.000 0.268 452 P C -1.767 175.402 177.300 -0.218 0.000 1.208 452 P CA -1.047 61.929 63.100 -0.206 0.000 0.777 452 P CB 0.070 31.658 31.700 -0.188 0.000 0.875 453 P HA -0.014 nan 4.420 nan 0.000 0.230 453 P C 0.141 177.322 177.300 -0.198 0.000 1.158 453 P CA 1.151 64.126 63.100 -0.208 0.000 0.769 453 P CB 0.019 31.589 31.700 -0.216 0.000 0.807 454 I N -6.716 113.702 120.570 -0.255 0.000 2.828 454 I HA 0.460 4.631 4.170 0.002 0.000 0.302 454 I C -0.072 175.932 176.117 -0.188 0.000 1.101 454 I CA -1.278 59.891 61.300 -0.218 0.000 1.031 454 I CB 1.956 39.805 38.000 -0.252 0.000 1.231 454 I HN -0.411 nan 8.210 nan 0.000 0.427 455 S N 2.192 117.831 115.700 -0.101 0.000 3.581 455 S HA -0.196 4.275 4.470 0.002 0.000 0.354 455 S C 1.376 175.932 174.600 -0.073 0.000 1.059 455 S CA 0.790 58.968 58.200 -0.037 0.000 1.060 455 S CB -1.657 61.607 63.200 0.107 0.000 0.908 455 S HN 1.256 nan 8.310 nan 0.000 0.475 456 G N 2.296 111.011 108.800 -0.141 0.000 2.586 456 G HA2 -0.317 3.644 3.960 0.002 0.000 0.218 456 G HA3 -0.317 3.644 3.960 0.002 0.000 0.218 456 G C 1.424 176.129 174.900 -0.325 0.000 1.216 456 G CA 1.465 46.468 45.100 -0.161 0.000 0.786 456 G HN 1.286 nan 8.290 nan 0.000 0.583 457 S N 0.282 115.504 115.700 -0.797 0.000 2.603 457 S HA 0.199 4.670 4.470 0.002 0.000 0.229 457 S C 1.994 176.523 174.600 -0.119 0.000 0.972 457 S CA 0.422 58.072 58.200 -0.917 0.000 0.935 457 S CB -0.161 62.312 63.200 -1.212 0.000 0.769 457 S HN 0.323 nan 8.310 nan 0.000 0.536 458 L N 1.896 123.096 121.223 -0.038 0.000 2.558 458 L HA 0.153 4.494 4.340 0.002 0.000 0.225 458 L C 1.196 178.183 176.870 0.195 0.000 1.128 458 L CA 0.419 55.324 54.840 0.108 0.000 0.868 458 L CB -0.869 41.279 42.059 0.149 0.000 1.006 458 L HN 0.475 nan 8.230 nan 0.000 0.454 459 T N -4.191 110.464 114.554 0.169 0.000 2.925 459 T HA 0.316 4.668 4.350 0.002 0.000 0.285 459 T C -1.635 173.226 174.700 0.268 0.000 1.021 459 T CA -1.994 60.227 62.100 0.202 0.000 1.042 459 T CB 1.998 70.936 68.868 0.118 0.000 1.037 459 T HN -0.199 nan 8.240 nan 0.000 0.481 460 P HA -0.103 nan 4.420 nan 0.000 0.218 460 P C 1.805 179.297 177.300 0.320 0.000 1.149 460 P CA 1.170 64.458 63.100 0.314 0.000 0.817 460 P CB -0.343 31.491 31.700 0.224 0.000 0.785 461 V N -3.827 116.228 119.914 0.235 0.000 2.720 461 V HA -0.193 3.928 4.120 0.002 0.000 0.256 461 V C 2.384 178.559 176.094 0.136 0.000 1.082 461 V CA 1.203 63.616 62.300 0.188 0.000 1.101 461 V CB -2.241 29.640 31.823 0.097 0.000 0.693 461 V HN -0.120 nan 8.190 nan 0.000 0.479 462 F N 1.884 121.799 119.950 -0.058 0.000 2.126 462 F HA -0.160 4.368 4.527 0.002 0.000 0.299 462 F C 2.502 178.393 175.800 0.152 0.000 1.096 462 F CA 2.258 60.214 58.000 -0.073 0.000 1.255 462 F CB -0.309 38.529 39.000 -0.271 0.000 0.997 462 F HN 0.267 nan 8.300 nan 0.000 0.479 463 H N -0.896 118.474 119.070 0.500 0.000 2.547 463 H HA 0.077 4.634 4.556 0.002 0.000 0.266 463 H C 0.332 175.899 175.328 0.399 0.000 0.988 463 H CA 0.335 56.636 56.048 0.422 0.000 1.147 463 H CB -0.283 29.721 29.762 0.404 0.000 1.365 463 H HN 0.267 nan 8.280 nan 0.000 0.589 464 Q N 1.921 121.983 119.800 0.437 0.000 2.314 464 Q HA 0.158 4.499 4.340 0.002 0.000 0.259 464 Q C -0.573 175.661 176.000 0.390 0.000 0.951 464 Q CA -0.402 55.622 55.803 0.367 0.000 0.909 464 Q CB 0.811 29.731 28.738 0.302 0.000 1.236 464 Q HN 0.227 nan 8.270 nan 0.000 0.444 465 E N 3.375 123.757 120.200 0.302 0.000 2.383 465 E HA 0.289 4.640 4.350 0.002 0.000 0.264 465 E C -0.503 176.237 176.600 0.233 0.000 1.050 465 E CA 0.226 56.764 56.400 0.229 0.000 0.896 465 E CB 0.845 30.659 29.700 0.189 0.000 0.982 465 E HN 0.602 nan 8.360 nan 0.000 0.424 466 M N 1.311 121.049 119.600 0.229 0.000 2.550 466 M HA 0.385 4.866 4.480 0.002 0.000 0.292 466 M C -1.251 175.162 176.300 0.188 0.000 1.221 466 M CA -1.008 54.433 55.300 0.235 0.000 0.873 466 M CB 2.405 35.198 32.600 0.323 0.000 1.727 466 M HN 0.149 nan 8.290 nan 0.000 0.459 467 V N 1.783 121.817 119.914 0.200 0.000 2.417 467 V HA 0.482 4.603 4.120 0.002 0.000 0.291 467 V C -0.725 175.495 176.094 0.211 0.000 1.024 467 V CA -0.729 61.717 62.300 0.244 0.000 0.861 467 V CB 1.661 33.688 31.823 0.339 0.000 0.985 467 V HN 0.811 nan 8.190 nan 0.000 0.436 468 N N 3.793 122.605 118.700 0.187 0.000 2.372 468 N HA 0.689 5.430 4.740 0.002 0.000 0.291 468 N C -1.215 174.390 175.510 0.158 0.000 1.024 468 N CA -0.419 52.656 53.050 0.041 0.000 0.873 468 N CB 1.399 39.918 38.487 0.053 0.000 1.206 468 N HN 0.674 nan 8.380 nan 0.000 0.486 469 Y N 0.164 120.486 120.300 0.036 0.000 2.677 469 Y HA 0.532 5.083 4.550 0.002 0.000 0.334 469 Y C -1.154 174.751 175.900 0.008 0.000 1.196 469 Y CA -1.228 56.885 58.100 0.022 0.000 1.059 469 Y CB 0.775 39.252 38.460 0.028 0.000 1.315 469 Y HN 0.213 nan 8.280 nan 0.000 0.455 470 I N 3.541 124.209 120.570 0.163 0.000 2.315 470 I HA 0.404 4.575 4.170 0.002 0.000 0.291 470 I C -0.659 175.526 176.117 0.113 0.000 1.006 470 I CA -0.457 60.883 61.300 0.067 0.000 1.265 470 I CB 0.995 39.016 38.000 0.036 0.000 1.387 470 I HN 0.437 nan 8.210 nan 0.000 0.475 471 L N 4.961 126.218 121.223 0.056 0.000 2.319 471 L HA 0.573 4.914 4.340 0.002 0.000 0.267 471 L C -0.043 176.826 176.870 -0.001 0.000 1.011 471 L CA -0.541 54.337 54.840 0.063 0.000 0.818 471 L CB 2.098 44.196 42.059 0.064 0.000 1.316 471 L HN 0.511 nan 8.230 nan 0.000 0.432 472 S N 1.115 116.822 115.700 0.012 0.000 2.542 472 S HA 0.630 5.101 4.470 0.002 0.000 0.293 472 S C -2.615 171.997 174.600 0.019 0.000 1.089 472 S CA -1.431 56.761 58.200 -0.014 0.000 0.961 472 S CB 1.909 65.115 63.200 0.009 0.000 1.062 472 S HN 0.235 nan 8.310 nan 0.000 0.483 473 P HA 0.337 nan 4.420 nan 0.000 0.266 473 P C -1.315 175.852 177.300 -0.223 0.000 1.193 473 P CA 0.116 63.124 63.100 -0.154 0.000 0.770 473 P CB 0.472 32.047 31.700 -0.209 0.000 0.836 474 A N 2.203 124.852 122.820 -0.284 0.000 2.587 474 A HA 0.700 5.021 4.320 0.002 0.000 0.293 474 A C -1.507 175.839 177.584 -0.397 0.000 1.087 474 A CA -0.535 51.325 52.037 -0.293 0.000 0.692 474 A CB 0.909 19.819 19.000 -0.150 0.000 1.291 474 A HN 0.360 nan 8.150 nan 0.000 0.407 475 F N 0.935 120.782 119.950 -0.172 0.000 2.420 475 F HA 0.684 5.212 4.527 0.002 0.000 0.342 475 F C 0.958 176.628 175.800 -0.217 0.000 1.113 475 F CA 0.075 57.962 58.000 -0.189 0.000 1.059 475 F CB 1.786 40.616 39.000 -0.283 0.000 1.128 475 F HN 0.560 nan 8.300 nan 0.000 0.475 476 R N 1.707 122.208 120.500 0.002 0.000 2.808 476 R HA 0.432 4.773 4.340 0.002 0.000 0.272 476 R C -1.649 174.586 176.300 -0.108 0.000 0.995 476 R CA -1.237 54.779 56.100 -0.140 0.000 0.917 476 R CB 1.757 32.020 30.300 -0.061 0.000 1.217 476 R HN 0.406 nan 8.270 nan 0.000 0.471 477 Y N 1.332 121.650 120.300 0.030 0.000 2.314 477 Y HA 0.170 4.721 4.550 0.002 0.000 0.334 477 Y C 0.678 176.576 175.900 -0.003 0.000 1.266 477 Y CA -0.092 58.017 58.100 0.015 0.000 1.391 477 Y CB 0.780 39.235 38.460 -0.007 0.000 1.306 477 Y HN 0.443 nan 8.280 nan 0.000 0.558 478 Q N 0.996 120.886 119.800 0.150 0.000 2.456 478 Q HA 0.634 4.975 4.340 0.002 0.000 0.284 478 Q C -3.146 172.828 176.000 -0.043 0.000 1.061 478 Q CA -2.502 53.324 55.803 0.038 0.000 0.799 478 Q CB 2.046 30.799 28.738 0.024 0.000 1.445 478 Q HN 0.268 nan 8.270 nan 0.000 0.411 479 P HA 0.071 nan 4.420 nan 0.000 0.269 479 P C -0.991 176.109 177.300 -0.334 0.000 1.209 479 P CA 0.029 63.012 63.100 -0.196 0.000 0.776 479 P CB 0.375 31.972 31.700 -0.172 0.000 0.876 480 D N 3.155 123.230 120.400 -0.541 0.000 2.424 480 D HA 0.021 4.662 4.640 0.002 0.000 0.244 480 D C -1.099 174.611 176.300 -0.985 0.000 1.134 480 D CA -1.127 52.268 54.000 -1.008 0.000 0.881 480 D CB 0.247 40.059 40.800 -1.647 0.000 1.191 480 D HN 0.301 nan 8.370 nan 0.000 0.445 481 P HA -0.017 nan 4.420 nan 0.000 0.239 481 P C -0.265 176.698 177.300 -0.563 0.000 1.184 481 P CA 0.440 63.147 63.100 -0.655 0.000 0.760 481 P CB -0.044 31.288 31.700 -0.614 0.000 0.884 482 W N 0.000 120.946 121.300 -0.590 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.130 57.345 -0.358 0.000 1.226 482 W CB 0.000 29.197 29.460 -0.439 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535