REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3nlh_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX DATA SEQUENCE XXPAEQLLSQ 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 YMSTEIGTRD 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 0.000 176.401 176.600 -0.331 0.000 0.988 69 K CA 0.000 56.107 56.287 -0.299 0.000 0.838 69 K CB 0.000 32.210 32.500 -0.483 0.000 1.064 70 F N 4.708 124.656 119.950 -0.004 0.000 2.411 70 F HA 0.445 4.973 4.527 0.002 0.000 0.355 70 F C -1.754 174.114 175.800 0.113 0.000 1.117 70 F CA -2.347 55.670 58.000 0.029 0.000 1.139 70 F CB 0.500 39.510 39.000 0.016 0.000 1.120 70 F HN -0.096 nan 8.300 nan 0.000 0.493 71 P HA 0.170 nan 4.420 nan 0.000 0.275 71 P C -0.561 176.890 177.300 0.250 0.000 1.228 71 P CA -0.629 62.601 63.100 0.217 0.000 0.786 71 P CB 0.927 32.714 31.700 0.144 0.000 0.927 72 R N 1.658 122.261 120.500 0.172 0.000 2.340 72 R HA 0.374 4.715 4.340 0.002 0.000 0.300 72 R C -0.933 175.313 176.300 -0.089 0.000 1.069 72 R CA -0.391 55.658 56.100 -0.086 0.000 0.984 72 R CB 0.326 30.610 30.300 -0.027 0.000 1.003 72 R HN 0.262 nan 8.270 nan 0.000 0.459 73 V N 5.370 125.174 119.914 -0.184 0.000 2.407 73 V HA 0.298 4.419 4.120 0.002 0.000 0.291 73 V C -0.359 175.654 176.094 -0.135 0.000 1.018 73 V CA -0.731 61.524 62.300 -0.076 0.000 0.842 73 V CB 1.354 33.167 31.823 -0.018 0.000 0.996 73 V HN 0.713 nan 8.190 nan 0.000 0.426 74 K N 4.064 124.401 120.400 -0.105 0.000 2.207 74 K HA 0.440 4.761 4.320 0.002 0.000 0.255 74 K C -0.388 176.108 176.600 -0.173 0.000 0.941 74 K CA -0.645 55.487 56.287 -0.258 0.000 0.825 74 K CB 1.407 33.593 32.500 -0.523 0.000 1.119 74 K HN 0.674 nan 8.250 nan 0.000 0.430 75 N N 4.048 122.636 118.700 -0.187 0.000 2.425 75 N HA 0.099 4.840 4.740 0.002 0.000 0.268 75 N C -0.381 175.064 175.510 -0.108 0.000 0.991 75 N CA -0.337 52.700 53.050 -0.021 0.000 0.931 75 N CB 0.523 39.031 38.487 0.036 0.000 1.130 75 N HN 0.710 nan 8.380 nan 0.000 0.493 76 W N 2.018 123.398 121.300 0.133 0.000 2.770 76 W HA 0.134 4.796 4.660 0.002 0.000 0.256 76 W C 2.083 178.648 176.519 0.077 0.000 1.291 76 W CA -0.139 57.277 57.345 0.117 0.000 1.396 76 W CB 0.321 29.879 29.460 0.163 0.000 1.114 76 W HN 0.677 nan 8.180 nan 0.000 0.637 77 E N 0.512 120.849 120.200 0.230 0.000 2.112 77 E HA -0.124 4.227 4.350 0.002 0.000 0.190 77 E C 1.653 178.273 176.600 0.034 0.000 0.979 77 E CA 1.120 57.544 56.400 0.040 0.000 0.814 77 E CB -0.181 29.493 29.700 -0.044 0.000 0.762 77 E HN 0.275 nan 8.360 nan 0.000 0.460 78 L N -1.243 119.998 121.223 0.030 0.000 2.609 78 L HA 0.357 4.699 4.340 0.002 0.000 0.230 78 L C 1.507 178.352 176.870 -0.042 0.000 1.087 78 L CA 0.374 55.212 54.840 -0.003 0.000 0.874 78 L CB 0.791 42.851 42.059 0.002 0.000 1.114 78 L HN 0.437 nan 8.230 nan 0.000 0.488 79 G N 0.576 109.321 108.800 -0.092 0.000 2.176 79 G HA2 -0.298 3.663 3.960 0.002 0.000 0.253 79 G HA3 -0.298 3.663 3.960 0.002 0.000 0.253 79 G C 0.378 175.167 174.900 -0.185 0.000 0.979 79 G CA 0.410 45.411 45.100 -0.166 0.000 0.641 79 G HN 0.434 nan 8.290 nan 0.000 0.530 80 S N -0.404 115.209 115.700 -0.144 0.000 2.601 80 S HA 0.780 5.251 4.470 0.002 0.000 0.271 80 S C -0.025 174.467 174.600 -0.181 0.000 1.305 80 S CA -0.487 57.634 58.200 -0.131 0.000 1.022 80 S CB 2.302 65.453 63.200 -0.081 0.000 0.940 80 S HN 0.584 nan 8.310 nan 0.000 0.525 81 I N 1.630 122.092 120.570 -0.181 0.000 2.582 81 I HA 0.492 4.663 4.170 0.002 0.000 0.292 81 I C 0.083 176.047 176.117 -0.255 0.000 1.066 81 I CA -0.364 60.783 61.300 -0.256 0.000 1.053 81 I CB 2.631 40.458 38.000 -0.289 0.000 1.241 81 I HN 0.991 nan 8.210 nan 0.000 0.421 82 T N 1.008 115.377 114.554 -0.309 0.000 2.864 82 T HA 0.635 4.986 4.350 0.002 0.000 0.289 82 T C -1.167 173.261 174.700 -0.454 0.000 1.082 82 T CA -0.827 61.117 62.100 -0.260 0.000 1.009 82 T CB 1.575 70.376 68.868 -0.111 0.000 1.234 82 T HN 0.276 nan 8.240 nan 0.000 0.526 83 Y N -0.049 120.238 120.300 -0.022 0.000 2.361 83 Y HA 0.425 4.977 4.550 0.002 0.000 0.337 83 Y C -0.146 175.736 175.900 -0.030 0.000 0.965 83 Y CA -1.002 57.093 58.100 -0.008 0.000 1.091 83 Y CB 1.762 40.209 38.460 -0.021 0.000 1.182 83 Y HN 0.697 nan 8.280 nan 0.000 0.450 84 D N 2.258 122.750 120.400 0.152 0.000 2.339 84 D HA 0.069 4.710 4.640 0.002 0.000 0.241 84 D C 0.730 177.064 176.300 0.057 0.000 1.183 84 D CA 0.202 54.261 54.000 0.098 0.000 0.859 84 D CB 1.280 42.167 40.800 0.145 0.000 1.067 84 D HN 0.802 nan 8.370 nan 0.000 0.484 85 T N 1.086 115.566 114.554 -0.122 0.000 3.014 85 T HA -0.047 4.304 4.350 0.002 0.000 0.250 85 T C 1.869 176.503 174.700 -0.110 0.000 1.060 85 T CA -0.260 61.629 62.100 -0.352 0.000 1.040 85 T CB 0.103 68.552 68.868 -0.697 0.000 0.971 85 T HN 0.245 nan 8.240 nan 0.000 0.497 86 L N 2.667 123.856 121.223 -0.057 0.000 2.083 86 L HA -0.012 4.329 4.340 0.002 0.000 0.209 86 L C 2.735 179.519 176.870 -0.144 0.000 1.083 86 L CA 1.530 56.361 54.840 -0.015 0.000 0.752 86 L CB -1.063 41.056 42.059 0.101 0.000 0.899 86 L HN 0.678 nan 8.230 nan 0.000 0.433 87 C N -1.208 117.828 119.300 -0.440 0.000 2.397 87 C HA -0.118 4.343 4.460 0.002 0.000 0.286 87 C C 2.742 177.508 174.990 -0.373 0.000 1.308 87 C CA 0.362 58.790 59.018 -0.984 0.000 1.805 87 C CB -2.338 24.857 27.740 -0.909 0.000 1.952 87 C HN 0.590 nan 8.230 nan 0.000 0.518 88 A N -0.084 122.685 122.820 -0.085 0.000 2.168 88 A HA -0.039 4.282 4.320 0.002 0.000 0.215 88 A C 2.238 179.820 177.584 -0.003 0.000 1.152 88 A CA 1.223 53.265 52.037 0.009 0.000 0.716 88 A CB -0.412 18.698 19.000 0.184 0.000 0.794 88 A HN 0.711 nan 8.150 nan 0.000 0.465 89 Q N 0.115 119.908 119.800 -0.012 0.000 2.472 89 Q HA 0.049 4.390 4.340 0.002 0.000 0.208 89 Q C 0.799 176.821 176.000 0.037 0.000 0.958 89 Q CA 0.376 56.194 55.803 0.025 0.000 0.932 89 Q CB -0.491 28.276 28.738 0.047 0.000 1.007 89 Q HN 0.497 nan 8.270 nan 0.000 0.508 90 S N 1.265 116.972 115.700 0.013 0.000 2.516 90 S HA 0.020 4.491 4.470 0.002 0.000 0.282 90 S C 0.851 175.474 174.600 0.038 0.000 1.286 90 S CA -0.090 58.145 58.200 0.057 0.000 1.066 90 S CB 0.442 63.683 63.200 0.068 0.000 0.884 90 S HN 0.103 nan 8.310 nan 0.000 0.491 91 Q N 2.418 122.247 119.800 0.048 0.000 2.247 91 Q HA 0.273 4.614 4.340 0.002 0.000 0.211 91 Q C -0.224 175.795 176.000 0.032 0.000 0.861 91 Q CA 0.219 56.043 55.803 0.035 0.000 0.949 91 Q CB 0.529 29.291 28.738 0.039 0.000 1.115 91 Q HN 0.608 nan 8.270 nan 0.000 0.507 92 Q N 1.312 121.136 119.800 0.040 0.000 2.310 92 Q HA 0.233 4.574 4.340 0.002 0.000 0.270 92 Q C -1.291 174.733 176.000 0.040 0.000 1.025 92 Q CA -0.306 55.517 55.803 0.034 0.000 0.772 92 Q CB 1.728 30.484 28.738 0.030 0.000 1.253 92 Q HN 0.064 nan 8.270 nan 0.000 0.450 93 D N 1.686 122.104 120.400 0.030 0.000 2.350 93 D HA 0.338 4.979 4.640 0.002 0.000 0.249 93 D C 0.465 176.786 176.300 0.034 0.000 1.119 93 D CA 0.240 54.259 54.000 0.032 0.000 0.886 93 D CB 1.205 42.019 40.800 0.022 0.000 1.195 93 D HN 0.630 nan 8.370 nan 0.000 0.437 94 G N 1.385 110.211 108.800 0.042 0.000 2.510 94 G HA2 0.337 4.298 3.960 0.002 0.000 0.280 94 G HA3 0.337 4.298 3.960 0.002 0.000 0.280 94 G C -1.385 173.536 174.900 0.034 0.000 1.386 94 G CA -0.608 44.516 45.100 0.039 0.000 1.047 94 G HN 0.366 nan 8.290 nan 0.000 0.527 95 P HA 0.185 nan 4.420 nan 0.000 0.251 95 P C 0.157 177.475 177.300 0.030 0.000 1.223 95 P CA -0.089 63.030 63.100 0.032 0.000 0.796 95 P CB 0.114 31.835 31.700 0.036 0.000 1.068 96 C N 0.866 120.186 119.300 0.033 0.000 2.459 96 C HA 0.613 5.074 4.460 0.002 0.000 0.374 96 C C 1.084 176.088 174.990 0.023 0.000 1.241 96 C CA 0.021 59.057 59.018 0.029 0.000 2.352 96 C CB 0.903 28.664 27.740 0.035 0.000 2.490 96 C HN 0.382 nan 8.230 nan 0.000 0.583 97 T N -1.259 113.305 114.554 0.017 0.000 2.838 97 T HA 0.467 4.818 4.350 0.002 0.000 0.292 97 T C -2.344 172.361 174.700 0.010 0.000 1.113 97 T CA -1.173 60.934 62.100 0.012 0.000 1.008 97 T CB 1.223 70.097 68.868 0.009 0.000 1.259 97 T HN 0.289 nan 8.240 nan 0.000 0.520 98 P HA -0.013 nan 4.420 nan 0.000 0.218 98 P C 1.541 178.843 177.300 0.004 0.000 1.148 98 P CA 0.735 63.837 63.100 0.004 0.000 0.822 98 P CB 0.066 31.767 31.700 0.001 0.000 0.784 99 R N 0.069 120.572 120.500 0.004 0.000 2.092 99 R HA -0.083 4.258 4.340 0.002 0.000 0.231 99 R C 0.489 176.791 176.300 0.004 0.000 1.119 99 R CA 1.037 57.139 56.100 0.003 0.000 0.970 99 R CB 0.103 30.404 30.300 0.003 0.000 0.864 99 R HN 0.075 nan 8.270 nan 0.000 0.440 100 R N 0.057 120.561 120.500 0.006 0.000 2.561 100 R HA 0.145 4.486 4.340 0.002 0.000 0.266 100 R C -1.767 174.540 176.300 0.012 0.000 1.091 100 R CA -0.787 55.318 56.100 0.008 0.000 0.927 100 R CB -0.117 30.188 30.300 0.008 0.000 1.240 100 R HN 0.105 nan 8.270 nan 0.000 0.449 101 C N 3.829 123.136 119.300 0.012 0.000 2.435 101 C HA 0.523 4.984 4.460 0.002 0.000 0.375 101 C C 0.332 175.337 174.990 0.024 0.000 1.281 101 C CA -0.508 58.521 59.018 0.018 0.000 1.963 101 C CB -0.563 27.184 27.740 0.012 0.000 2.490 101 C HN 0.670 nan 8.230 nan 0.000 0.557 102 L N 6.308 127.551 121.223 0.034 0.000 3.110 102 L HA 0.339 4.680 4.340 0.002 0.000 0.266 102 L C 1.951 178.856 176.870 0.059 0.000 1.257 102 L CA 0.694 55.559 54.840 0.042 0.000 1.038 102 L CB -0.233 41.848 42.059 0.037 0.000 1.395 102 L HN 1.057 nan 8.230 nan 0.000 0.566 103 G N -0.471 108.367 108.800 0.063 0.000 2.448 103 G HA2 -0.254 3.707 3.960 0.002 0.000 0.219 103 G HA3 -0.254 3.707 3.960 0.002 0.000 0.219 103 G C 1.509 176.487 174.900 0.130 0.000 1.127 103 G CA 1.119 46.271 45.100 0.087 0.000 0.766 103 G HN 0.518 nan 8.290 nan 0.000 0.552 104 S N -0.143 115.632 115.700 0.124 0.000 2.562 104 S HA 0.270 4.741 4.470 0.002 0.000 0.221 104 S C 1.000 175.703 174.600 0.172 0.000 0.975 104 S CA -0.408 57.891 58.200 0.164 0.000 0.918 104 S CB -0.172 63.098 63.200 0.116 0.000 0.772 104 S HN 0.106 nan 8.310 nan 0.000 0.531 105 L N 2.225 123.526 121.223 0.131 0.000 2.453 105 L HA 0.167 4.508 4.340 0.002 0.000 0.272 105 L C 1.504 178.470 176.870 0.161 0.000 1.182 105 L CA -0.151 54.759 54.840 0.117 0.000 0.858 105 L CB 0.887 42.991 42.059 0.075 0.000 1.120 105 L HN 0.114 nan 8.230 nan 0.000 0.474 106 V N 4.407 124.423 119.914 0.171 0.000 2.346 106 V HA -0.072 4.049 4.120 0.002 0.000 0.244 106 V C 0.900 177.050 176.094 0.093 0.000 1.037 106 V CA 1.067 63.499 62.300 0.221 0.000 1.029 106 V CB -0.056 31.898 31.823 0.218 0.000 0.663 106 V HN 0.503 nan 8.190 nan 0.000 0.454 107 L N 0.517 121.757 121.223 0.028 0.000 2.331 107 L HA 0.468 4.809 4.340 0.002 0.000 0.275 107 L C -2.400 174.502 176.870 0.054 0.000 1.022 107 L CA -1.852 52.991 54.840 0.005 0.000 0.812 107 L CB 0.801 42.812 42.059 -0.081 0.000 1.257 107 L HN 0.093 nan 8.230 nan 0.000 0.435 108 P HA 0.188 nan 4.420 nan 0.000 0.271 108 P C -0.516 176.804 177.300 0.033 0.000 1.216 108 P CA -0.503 62.632 63.100 0.058 0.000 0.771 108 P CB 0.658 32.398 31.700 0.066 0.000 0.864 122 A N 1.179 124.005 122.820 0.010 0.000 1.859 122 A HA -0.259 4.062 4.320 0.002 0.000 0.218 122 A C 1.741 179.328 177.584 0.006 0.000 1.209 122 A CA 2.541 54.584 52.037 0.011 0.000 0.639 122 A CB -0.819 18.186 19.000 0.008 0.000 0.835 122 A HN 0.777 nan 8.150 nan 0.000 0.450 123 E N 0.145 120.347 120.200 0.003 0.000 2.118 123 E HA -0.286 4.065 4.350 0.002 0.000 0.195 123 E C 1.826 178.429 176.600 0.005 0.000 0.992 123 E CA 1.809 58.209 56.400 0.001 0.000 0.804 123 E CB -0.734 28.966 29.700 0.001 0.000 0.741 123 E HN 0.736 nan 8.360 nan 0.000 0.458 124 Q N 0.656 120.461 119.800 0.008 0.000 2.016 124 Q HA -0.036 4.305 4.340 0.002 0.000 0.200 124 Q C 2.331 178.342 176.000 0.019 0.000 0.978 124 Q CA 1.436 57.246 55.803 0.012 0.000 0.833 124 Q CB -0.431 28.313 28.738 0.010 0.000 0.895 124 Q HN 0.303 nan 8.270 nan 0.000 0.427 125 L N 0.122 121.359 121.223 0.023 0.000 2.042 125 L HA -0.148 4.193 4.340 0.002 0.000 0.210 125 L C 1.956 178.844 176.870 0.029 0.000 1.076 125 L CA 1.517 56.382 54.840 0.042 0.000 0.749 125 L CB -0.678 41.415 42.059 0.056 0.000 0.893 125 L HN 0.282 nan 8.230 nan 0.000 0.432 126 L N -0.520 120.703 121.223 -0.001 0.000 2.042 126 L HA -0.193 4.148 4.340 0.002 0.000 0.210 126 L C 2.771 179.627 176.870 -0.022 0.000 1.076 126 L CA 2.126 56.943 54.840 -0.038 0.000 0.749 126 L CB -0.743 41.295 42.059 -0.035 0.000 0.893 126 L HN 0.646 nan 8.230 nan 0.000 0.432 127 S N -1.994 113.709 115.700 0.005 0.000 2.414 127 S HA -0.180 4.291 4.470 0.002 0.000 0.227 127 S C 1.875 176.505 174.600 0.049 0.000 1.022 127 S CA 0.807 59.019 58.200 0.020 0.000 0.958 127 S CB -0.473 62.739 63.200 0.019 0.000 0.797 127 S HN 0.616 nan 8.310 nan 0.000 0.493 128 Q N 1.091 120.926 119.800 0.058 0.000 2.084 128 Q HA 0.025 4.367 4.340 0.002 0.000 0.202 128 Q C 2.630 178.719 176.000 0.147 0.000 0.978 128 Q CA 1.487 57.347 55.803 0.094 0.000 0.844 128 Q CB -0.551 28.234 28.738 0.078 0.000 0.898 128 Q HN 0.781 nan 8.270 nan 0.000 0.426 129 A N 1.375 124.256 122.820 0.101 0.000 1.877 129 A HA -0.216 4.106 4.320 0.002 0.000 0.216 129 A C 2.014 179.662 177.584 0.108 0.000 1.186 129 A CA 1.414 53.496 52.037 0.076 0.000 0.620 129 A CB -0.421 18.390 19.000 -0.314 0.000 0.822 129 A HN 0.224 nan 8.150 nan 0.000 0.443 130 R N -0.571 119.957 120.500 0.046 0.000 2.073 130 R HA -0.162 4.179 4.340 0.002 0.000 0.234 130 R C 2.074 178.448 176.300 0.124 0.000 1.134 130 R CA 1.636 57.774 56.100 0.063 0.000 0.952 130 R CB -0.588 29.725 30.300 0.022 0.000 0.850 130 R HN 0.719 nan 8.270 nan 0.000 0.433 131 D N 0.238 120.718 120.400 0.133 0.000 2.116 131 D HA -0.231 4.410 4.640 0.002 0.000 0.193 131 D C 1.670 178.095 176.300 0.209 0.000 0.998 131 D CA 1.221 55.311 54.000 0.151 0.000 0.836 131 D CB -0.089 40.796 40.800 0.141 0.000 0.951 131 D HN 0.162 nan 8.370 nan 0.000 0.449 132 F N 0.774 120.811 119.950 0.144 0.000 2.102 132 F HA -0.081 4.447 4.527 0.002 0.000 0.298 132 F C 1.989 177.937 175.800 0.247 0.000 1.105 132 F CA 1.091 59.214 58.000 0.205 0.000 1.239 132 F CB -0.233 38.891 39.000 0.206 0.000 0.991 132 F HN -0.001 nan 8.300 nan 0.000 0.474 133 I N 0.940 121.559 120.570 0.082 0.000 2.264 133 I HA -0.314 3.857 4.170 0.002 0.000 0.248 133 I C 1.954 178.130 176.117 0.098 0.000 1.111 133 I CA 1.229 62.574 61.300 0.076 0.000 1.382 133 I CB -1.629 36.514 38.000 0.239 0.000 1.060 133 I HN 0.249 nan 8.210 nan 0.000 0.418 134 N N 1.011 119.785 118.700 0.123 0.000 2.120 134 N HA -0.191 4.550 4.740 0.002 0.000 0.188 134 N C 1.850 177.319 175.510 -0.068 0.000 1.024 134 N CA 1.125 54.226 53.050 0.085 0.000 0.852 134 N CB -0.349 38.221 38.487 0.140 0.000 1.003 134 N HN 0.501 nan 8.380 nan 0.000 0.424 135 Q N -0.563 119.203 119.800 -0.056 0.000 2.061 135 Q HA -0.193 4.149 4.340 0.002 0.000 0.204 135 Q C 1.819 177.581 176.000 -0.397 0.000 0.984 135 Q CA 1.401 57.171 55.803 -0.056 0.000 0.846 135 Q CB -0.299 28.554 28.738 0.191 0.000 0.902 135 Q HN 0.472 nan 8.270 nan 0.000 0.421 136 Y N -0.002 119.828 120.300 -0.783 0.000 2.114 136 Y HA -0.304 4.247 4.550 0.002 0.000 0.284 136 Y C 1.763 177.120 175.900 -0.906 0.000 1.143 136 Y CA 1.688 59.047 58.100 -1.234 0.000 1.135 136 Y CB -0.414 37.444 38.460 -1.004 0.000 0.980 136 Y HN 0.085 nan 8.280 nan 0.000 0.499 137 Y N -0.944 118.978 120.300 -0.629 0.000 2.293 137 Y HA -0.182 4.369 4.550 0.002 0.000 0.291 137 Y C 3.044 178.612 175.900 -0.554 0.000 1.137 137 Y CA 1.630 59.335 58.100 -0.658 0.000 1.202 137 Y CB -0.787 37.182 38.460 -0.820 0.000 0.990 137 Y HN 0.160 nan 8.280 nan 0.000 0.537 138 S N -0.416 115.074 115.700 -0.348 0.000 2.359 138 S HA -0.237 4.234 4.470 0.002 0.000 0.224 138 S C 2.372 176.803 174.600 -0.282 0.000 1.035 138 S CA 1.726 59.781 58.200 -0.242 0.000 1.018 138 S CB -0.673 62.438 63.200 -0.149 0.000 0.876 138 S HN 0.620 nan 8.310 nan 0.000 0.448 139 S N 1.516 116.957 115.700 -0.432 0.000 2.442 139 S HA -0.055 4.416 4.470 0.002 0.000 0.236 139 S C 1.512 175.884 174.600 -0.379 0.000 1.007 139 S CA 1.071 59.049 58.200 -0.371 0.000 0.965 139 S CB -0.877 62.013 63.200 -0.517 0.000 0.773 139 S HN 0.778 nan 8.310 nan 0.000 0.504 140 I N -2.809 117.444 120.570 -0.530 0.000 3.891 140 I HA 0.405 4.577 4.170 0.002 0.000 0.331 140 I C -0.179 175.784 176.117 -0.256 0.000 1.406 140 I CA -0.642 60.408 61.300 -0.417 0.000 1.139 140 I CB -0.081 37.566 38.000 -0.589 0.000 1.056 140 I HN -0.119 nan 8.210 nan 0.000 0.399 141 K N 1.123 121.398 120.400 -0.208 0.000 3.016 141 K HA -0.186 4.135 4.320 0.002 0.000 0.262 141 K C 0.132 176.679 176.600 -0.089 0.000 1.043 141 K CA 0.557 56.770 56.287 -0.123 0.000 0.761 141 K CB -1.758 30.689 32.500 -0.088 0.000 1.230 141 K HN 0.544 nan 8.250 nan 0.000 0.485 142 R N 0.114 120.557 120.500 -0.095 0.000 2.652 142 R HA 0.132 4.474 4.340 0.002 0.000 0.372 142 R C 0.008 176.324 176.300 0.026 0.000 1.104 142 R CA -0.252 55.849 56.100 0.001 0.000 1.072 142 R CB 0.653 31.002 30.300 0.082 0.000 1.367 142 R HN 0.105 nan 8.270 nan 0.000 0.577 143 S N -0.044 115.636 115.700 -0.033 0.000 2.544 143 S HA 0.240 4.711 4.470 0.002 0.000 0.290 143 S C 1.283 175.964 174.600 0.135 0.000 1.276 143 S CA 1.393 59.592 58.200 -0.002 0.000 1.075 143 S CB 0.301 63.491 63.200 -0.017 0.000 0.849 143 S HN 0.744 nan 8.310 nan 0.000 0.494 144 G N 3.120 112.154 108.800 0.390 0.000 2.176 144 G HA2 -0.299 3.662 3.960 0.002 0.000 0.253 144 G HA3 -0.299 3.662 3.960 0.002 0.000 0.253 144 G C 0.332 175.262 174.900 0.050 0.000 0.979 144 G CA 0.425 45.615 45.100 0.149 0.000 0.641 144 G HN 1.285 nan 8.290 nan 0.000 0.530 145 S N -0.567 115.176 115.700 0.071 0.000 2.617 145 S HA 0.459 4.930 4.470 0.002 0.000 0.255 145 S C 1.372 175.956 174.600 -0.026 0.000 1.318 145 S CA 0.596 58.808 58.200 0.020 0.000 0.978 145 S CB 0.869 64.095 63.200 0.043 0.000 0.961 145 S HN 0.235 nan 8.310 nan 0.000 0.582 146 Q N 0.330 120.118 119.800 -0.021 0.000 2.046 146 Q HA -0.073 4.268 4.340 0.002 0.000 0.200 146 Q C 2.690 178.659 176.000 -0.052 0.000 0.975 146 Q CA 1.735 57.516 55.803 -0.037 0.000 0.836 146 Q CB -1.146 27.584 28.738 -0.014 0.000 0.896 146 Q HN 0.910 nan 8.270 nan 0.000 0.428 147 A N 0.540 123.352 122.820 -0.014 0.000 1.948 147 A HA -0.261 4.060 4.320 0.002 0.000 0.220 147 A C 1.922 179.363 177.584 -0.239 0.000 1.177 147 A CA 1.944 53.983 52.037 0.004 0.000 0.636 147 A CB -1.012 18.096 19.000 0.180 0.000 0.815 147 A HN 0.566 nan 8.150 nan 0.000 0.449 148 H N -1.012 117.684 119.070 -0.624 0.000 2.321 148 H HA -0.115 4.443 4.556 0.002 0.000 0.300 148 H C 1.962 176.991 175.328 -0.498 0.000 1.087 148 H CA 1.235 56.653 56.048 -1.050 0.000 1.319 148 H CB 0.158 29.489 29.762 -0.719 0.000 1.379 148 H HN 0.404 nan 8.280 nan 0.000 0.501 149 E N 0.893 120.897 120.200 -0.326 0.000 2.051 149 E HA -0.149 4.202 4.350 0.002 0.000 0.192 149 E C 2.134 178.631 176.600 -0.171 0.000 0.991 149 E CA 0.978 57.209 56.400 -0.281 0.000 0.799 149 E CB -0.226 29.359 29.700 -0.193 0.000 0.748 149 E HN 0.657 nan 8.360 nan 0.000 0.449 150 E N 0.257 120.386 120.200 -0.117 0.000 2.150 150 E HA -0.170 4.181 4.350 0.002 0.000 0.193 150 E C 2.116 178.697 176.600 -0.032 0.000 0.985 150 E CA 0.770 57.136 56.400 -0.057 0.000 0.814 150 E CB 0.030 29.715 29.700 -0.025 0.000 0.752 150 E HN -0.086 nan 8.360 nan 0.000 0.466 151 R N 1.014 121.489 120.500 -0.043 0.000 2.073 151 R HA -0.036 4.305 4.340 0.002 0.000 0.229 151 R C 1.973 178.282 176.300 0.016 0.000 1.120 151 R CA 1.074 57.195 56.100 0.036 0.000 0.967 151 R CB -0.510 29.868 30.300 0.130 0.000 0.862 151 R HN 0.140 nan 8.270 nan 0.000 0.436 152 L N 0.337 121.532 121.223 -0.048 0.000 2.079 152 L HA -0.203 4.139 4.340 0.002 0.000 0.210 152 L C 2.519 179.351 176.870 -0.063 0.000 1.081 152 L CA 1.661 56.463 54.840 -0.064 0.000 0.752 152 L CB -0.431 41.548 42.059 -0.133 0.000 0.896 152 L HN 0.319 nan 8.230 nan 0.000 0.433 153 Q N -0.344 119.420 119.800 -0.059 0.000 2.079 153 Q HA -0.216 4.125 4.340 0.002 0.000 0.200 153 Q C 2.143 178.134 176.000 -0.016 0.000 0.974 153 Q CA 1.440 57.219 55.803 -0.040 0.000 0.840 153 Q CB -0.074 28.642 28.738 -0.038 0.000 0.898 153 Q HN 0.522 nan 8.270 nan 0.000 0.430 154 E N -0.037 120.165 120.200 0.005 0.000 2.038 154 E HA -0.200 4.151 4.350 0.002 0.000 0.195 154 E C 2.132 178.753 176.600 0.034 0.000 1.000 154 E CA 1.602 58.023 56.400 0.036 0.000 0.803 154 E CB -0.074 29.667 29.700 0.068 0.000 0.750 154 E HN 0.144 nan 8.360 nan 0.000 0.448 155 V N 1.479 121.391 119.914 -0.004 0.000 2.255 155 V HA -0.284 3.837 4.120 0.002 0.000 0.247 155 V C 2.114 178.143 176.094 -0.109 0.000 1.051 155 V CA 2.060 64.292 62.300 -0.112 0.000 1.018 155 V CB -0.560 31.085 31.823 -0.296 0.000 0.641 155 V HN 0.250 nan 8.190 nan 0.000 0.445 156 E N 0.150 120.301 120.200 -0.083 0.000 2.085 156 E HA -0.233 4.118 4.350 0.002 0.000 0.194 156 E C 2.311 178.898 176.600 -0.022 0.000 0.994 156 E CA 1.426 57.792 56.400 -0.057 0.000 0.801 156 E CB -0.370 29.300 29.700 -0.050 0.000 0.743 156 E HN 0.610 nan 8.360 nan 0.000 0.453 157 A N 1.039 123.856 122.820 -0.005 0.000 1.902 157 A HA -0.245 4.077 4.320 0.002 0.000 0.217 157 A C 2.029 179.634 177.584 0.035 0.000 1.181 157 A CA 1.558 53.604 52.037 0.014 0.000 0.623 157 A CB -0.368 18.643 19.000 0.019 0.000 0.818 157 A HN 0.210 nan 8.150 nan 0.000 0.443 158 E N -0.442 119.792 120.200 0.056 0.000 2.072 158 E HA -0.096 4.255 4.350 0.002 0.000 0.190 158 E C 1.929 178.585 176.600 0.093 0.000 0.982 158 E CA 1.159 57.619 56.400 0.099 0.000 0.803 158 E CB -0.053 29.750 29.700 0.171 0.000 0.755 158 E HN 0.325 nan 8.360 nan 0.000 0.453 159 V N 1.145 121.099 119.914 0.067 0.000 2.343 159 V HA -0.262 3.859 4.120 0.002 0.000 0.247 159 V C 2.374 178.489 176.094 0.035 0.000 1.051 159 V CA 1.780 64.112 62.300 0.054 0.000 1.036 159 V CB -0.677 31.153 31.823 0.012 0.000 0.654 159 V HN 0.391 nan 8.190 nan 0.000 0.451 160 A N -0.802 122.030 122.820 0.021 0.000 1.978 160 A HA -0.196 4.125 4.320 0.002 0.000 0.220 160 A C 2.445 180.043 177.584 0.024 0.000 1.170 160 A CA 2.370 54.417 52.037 0.016 0.000 0.636 160 A CB -0.424 18.581 19.000 0.008 0.000 0.810 160 A HN 0.522 nan 8.150 nan 0.000 0.448 161 S N -1.583 114.137 115.700 0.034 0.000 2.427 161 S HA -0.029 4.442 4.470 0.002 0.000 0.224 161 S C 2.017 176.642 174.600 0.042 0.000 1.047 161 S CA 1.442 59.663 58.200 0.036 0.000 0.953 161 S CB -0.022 63.203 63.200 0.041 0.000 0.824 161 S HN 0.876 nan 8.310 nan 0.000 0.502 162 T N -2.442 112.146 114.554 0.055 0.000 2.971 162 T HA 0.435 4.786 4.350 0.002 0.000 0.252 162 T C 1.459 176.190 174.700 0.052 0.000 1.022 162 T CA 0.938 63.075 62.100 0.062 0.000 0.980 162 T CB 0.474 69.397 68.868 0.091 0.000 1.044 162 T HN 0.524 nan 8.240 nan 0.000 0.501 163 G N 0.293 109.122 108.800 0.049 0.000 2.179 163 G HA2 -0.191 3.771 3.960 0.002 0.000 0.260 163 G HA3 -0.191 3.771 3.960 0.002 0.000 0.260 163 G C 0.181 175.110 174.900 0.047 0.000 0.977 163 G CA 0.566 45.690 45.100 0.039 0.000 0.641 163 G HN 1.007 nan 8.290 nan 0.000 0.533 164 T N -1.511 113.086 114.554 0.070 0.000 2.671 164 T HA 0.703 5.054 4.350 0.002 0.000 0.300 164 T C -1.284 173.516 174.700 0.167 0.000 1.238 164 T CA 0.418 62.557 62.100 0.066 0.000 1.020 164 T CB 1.509 70.338 68.868 -0.064 0.000 1.503 164 T HN 1.573 nan 8.240 nan 0.000 0.497 165 Y N -0.676 119.526 120.300 -0.164 0.000 2.764 165 Y HA 0.835 5.387 4.550 0.002 0.000 0.331 165 Y C -1.719 173.971 175.900 -0.351 0.000 1.280 165 Y CA -1.184 56.861 58.100 -0.091 0.000 1.065 165 Y CB 0.708 39.174 38.460 0.011 0.000 1.319 165 Y HN 0.781 nan 8.280 nan 0.000 0.453 166 H N 0.396 119.409 119.070 -0.094 0.000 2.717 166 H HA 0.649 5.206 4.556 0.002 0.000 0.366 166 H C -1.104 174.197 175.328 -0.045 0.000 1.132 166 H CA -0.811 55.142 56.048 -0.158 0.000 1.180 166 H CB 1.971 31.717 29.762 -0.027 0.000 1.678 166 H HN 0.738 nan 8.280 nan 0.000 0.537 167 L N 2.712 123.953 121.223 0.028 0.000 2.371 167 L HA 0.367 4.708 4.340 0.002 0.000 0.272 167 L C 0.363 177.291 176.870 0.097 0.000 1.124 167 L CA -0.898 54.005 54.840 0.105 0.000 0.816 167 L CB 0.346 42.447 42.059 0.069 0.000 1.129 167 L HN 0.393 nan 8.230 nan 0.000 0.448 168 R N 1.499 122.044 120.500 0.075 0.000 2.641 168 R HA 0.024 4.365 4.340 0.002 0.000 0.269 168 R C 0.963 177.254 176.300 -0.014 0.000 1.074 168 R CA -0.215 55.900 56.100 0.026 0.000 1.133 168 R CB 0.201 30.503 30.300 0.003 0.000 1.029 168 R HN 0.647 nan 8.270 nan 0.000 0.488 169 E N 1.206 121.398 120.200 -0.014 0.000 2.097 169 E HA -0.241 4.110 4.350 0.002 0.000 0.196 169 E C 1.241 177.825 176.600 -0.028 0.000 1.000 169 E CA 2.110 58.492 56.400 -0.030 0.000 0.804 169 E CB 0.199 29.886 29.700 -0.023 0.000 0.740 169 E HN 0.673 nan 8.360 nan 0.000 0.454 170 S N -0.023 115.663 115.700 -0.023 0.000 2.399 170 S HA -0.177 4.294 4.470 0.002 0.000 0.231 170 S C 1.741 176.335 174.600 -0.010 0.000 1.022 170 S CA 1.232 59.445 58.200 0.022 0.000 0.983 170 S CB -0.254 62.992 63.200 0.076 0.000 0.803 170 S HN 0.325 nan 8.310 nan 0.000 0.480 171 E N 0.944 121.000 120.200 -0.240 0.000 2.072 171 E HA -0.042 4.309 4.350 0.002 0.000 0.191 171 E C 2.036 178.760 176.600 0.206 0.000 0.985 171 E CA 1.090 57.359 56.400 -0.219 0.000 0.801 171 E CB -0.339 29.258 29.700 -0.171 0.000 0.750 171 E HN 0.431 nan 8.360 nan 0.000 0.452 172 L N 0.841 122.094 121.223 0.051 0.000 2.042 172 L HA -0.187 4.154 4.340 0.002 0.000 0.210 172 L C 2.204 179.064 176.870 -0.016 0.000 1.076 172 L CA 1.419 56.229 54.840 -0.049 0.000 0.749 172 L CB -0.318 41.645 42.059 -0.159 0.000 0.893 172 L HN -0.040 nan 8.230 nan 0.000 0.432 173 V N -0.497 119.437 119.914 0.034 0.000 2.287 173 V HA -0.325 3.797 4.120 0.002 0.000 0.248 173 V C 2.323 178.516 176.094 0.165 0.000 1.053 173 V CA 2.198 64.533 62.300 0.057 0.000 1.027 173 V CB -0.952 30.902 31.823 0.052 0.000 0.646 173 V HN 0.589 nan 8.190 nan 0.000 0.447 174 F N 2.066 122.111 119.950 0.158 0.000 2.126 174 F HA -0.065 4.464 4.527 0.002 0.000 0.299 174 F C 2.141 178.100 175.800 0.264 0.000 1.096 174 F CA 1.752 59.898 58.000 0.244 0.000 1.255 174 F CB -0.884 38.336 39.000 0.366 0.000 0.997 174 F HN 0.123 nan 8.300 nan 0.000 0.479 175 G N -0.305 108.601 108.800 0.175 0.000 2.408 175 G HA2 -0.171 3.790 3.960 0.002 0.000 0.217 175 G HA3 -0.171 3.790 3.960 0.002 0.000 0.217 175 G C 1.816 176.604 174.900 -0.187 0.000 1.150 175 G CA 0.761 45.861 45.100 -0.000 0.000 0.776 175 G HN 0.635 nan 8.290 nan 0.000 0.542 176 A N 0.987 123.726 122.820 -0.135 0.000 1.877 176 A HA 0.004 4.325 4.320 0.002 0.000 0.216 176 A C 2.300 179.900 177.584 0.027 0.000 1.186 176 A CA 1.959 53.927 52.037 -0.115 0.000 0.620 176 A CB -0.363 18.597 19.000 -0.066 0.000 0.822 176 A HN 0.367 nan 8.150 nan 0.000 0.443 177 K N -1.057 119.400 120.400 0.094 0.000 2.097 177 K HA -0.183 4.138 4.320 0.002 0.000 0.206 177 K C 2.342 179.041 176.600 0.164 0.000 1.049 177 K CA 1.579 58.034 56.287 0.280 0.000 0.933 177 K CB -0.115 32.586 32.500 0.335 0.000 0.717 177 K HN 0.427 nan 8.250 nan 0.000 0.442 178 Q N 0.559 120.269 119.800 -0.150 0.000 2.119 178 Q HA -0.043 4.298 4.340 0.002 0.000 0.201 178 Q C 1.893 177.766 176.000 -0.211 0.000 0.972 178 Q CA 1.685 57.293 55.803 -0.324 0.000 0.847 178 Q CB -0.206 28.203 28.738 -0.549 0.000 0.903 178 Q HN 0.335 nan 8.270 nan 0.000 0.433 179 A N -0.630 122.068 122.820 -0.202 0.000 1.933 179 A HA -0.189 4.132 4.320 0.002 0.000 0.218 179 A C 1.814 179.450 177.584 0.086 0.000 1.175 179 A CA 1.457 53.332 52.037 -0.269 0.000 0.628 179 A CB -1.147 17.340 19.000 -0.855 0.000 0.814 179 A HN 0.680 nan 8.150 nan 0.000 0.444 180 W N 0.904 122.237 121.300 0.055 0.000 2.354 180 W HA -0.140 4.521 4.660 0.002 0.000 0.315 180 W C 2.380 178.874 176.519 -0.042 0.000 1.206 180 W CA 1.600 58.993 57.345 0.081 0.000 1.290 180 W CB -0.832 28.672 29.460 0.072 0.000 1.152 180 W HN 0.355 nan 8.180 nan 0.000 0.489 181 R N 0.248 120.689 120.500 -0.099 0.000 2.119 181 R HA -0.230 4.111 4.340 0.002 0.000 0.246 181 R C 1.640 177.787 176.300 -0.255 0.000 1.146 181 R CA 1.991 57.813 56.100 -0.463 0.000 0.962 181 R CB -0.686 29.018 30.300 -0.994 0.000 0.863 181 R HN 0.148 nan 8.270 nan 0.000 0.442 182 N N 0.117 118.717 118.700 -0.167 0.000 2.515 182 N HA 0.000 4.741 4.740 0.002 0.000 0.185 182 N C -0.334 175.135 175.510 -0.069 0.000 1.109 182 N CA 0.687 53.665 53.050 -0.121 0.000 0.903 182 N CB 0.289 38.708 38.487 -0.115 0.000 0.969 182 N HN 0.182 nan 8.380 nan 0.000 0.450 183 A N 1.788 124.614 122.820 0.008 0.000 2.457 183 A HA 0.285 4.606 4.320 0.002 0.000 0.298 183 A C -1.329 176.243 177.584 -0.020 0.000 1.288 183 A CA -1.024 51.024 52.037 0.018 0.000 0.956 183 A CB 0.397 19.458 19.000 0.101 0.000 1.135 183 A HN -0.006 nan 8.150 nan 0.000 0.535 184 P HA -0.094 nan 4.420 nan 0.000 0.220 184 P C 1.025 178.284 177.300 -0.069 0.000 1.148 184 P CA 1.066 64.116 63.100 -0.082 0.000 0.803 184 P CB 0.174 31.789 31.700 -0.142 0.000 0.782 185 R N -2.001 118.430 120.500 -0.115 0.000 2.334 185 R HA 0.155 4.496 4.340 0.002 0.000 0.220 185 R C 0.174 176.490 176.300 0.027 0.000 0.917 185 R CA -0.124 55.935 56.100 -0.067 0.000 1.073 185 R CB -0.435 29.673 30.300 -0.320 0.000 1.056 185 R HN 0.175 nan 8.270 nan 0.000 0.506 186 C N 0.392 119.689 119.300 -0.004 0.000 2.255 186 C HA 0.253 4.714 4.460 0.002 0.000 0.326 186 C C 1.824 176.768 174.990 -0.077 0.000 1.258 186 C CA -0.714 58.321 59.018 0.027 0.000 1.676 186 C CB 0.586 28.409 27.740 0.138 0.000 2.314 186 C HN 0.292 nan 8.230 nan 0.000 0.509 187 V N 5.902 125.731 119.914 -0.141 0.000 3.306 187 V HA 0.197 4.318 4.120 0.002 0.000 0.264 187 V C 1.816 177.924 176.094 0.023 0.000 1.149 187 V CA 2.145 64.270 62.300 -0.292 0.000 1.143 187 V CB -0.103 31.570 31.823 -0.250 0.000 0.767 187 V HN 1.077 nan 8.190 nan 0.000 0.476 188 G N -0.733 108.115 108.800 0.081 0.000 3.371 188 G HA2 0.037 3.998 3.960 0.002 0.000 0.248 188 G HA3 0.037 3.998 3.960 0.002 0.000 0.248 188 G C 1.263 176.201 174.900 0.062 0.000 1.161 188 G CA -0.328 44.840 45.100 0.114 0.000 0.796 188 G HN 0.426 nan 8.290 nan 0.000 0.539 189 R N -0.328 120.121 120.500 -0.084 0.000 2.328 189 R HA 0.106 4.447 4.340 0.002 0.000 0.207 189 R C 2.012 177.933 176.300 -0.632 0.000 1.056 189 R CA 0.077 55.848 56.100 -0.549 0.000 1.016 189 R CB -0.150 29.776 30.300 -0.622 0.000 0.872 189 R HN 0.436 nan 8.270 nan 0.000 0.471 190 I N 1.026 121.407 120.570 -0.316 0.000 2.530 190 I HA -0.268 3.904 4.170 0.002 0.000 0.257 190 I C 1.531 177.570 176.117 -0.131 0.000 1.179 190 I CA 1.415 62.677 61.300 -0.064 0.000 1.440 190 I CB 0.169 38.212 38.000 0.071 0.000 1.087 190 I HN 0.126 nan 8.210 nan 0.000 0.440 191 Q N 0.281 119.935 119.800 -0.243 0.000 2.403 191 Q HA -0.093 4.248 4.340 0.002 0.000 0.203 191 Q C 1.609 177.188 176.000 -0.701 0.000 0.932 191 Q CA 0.427 56.072 55.803 -0.264 0.000 0.945 191 Q CB -0.278 28.467 28.738 0.012 0.000 1.045 191 Q HN 0.809 nan 8.270 nan 0.000 0.511 192 W N -0.068 120.570 121.300 -1.103 0.000 2.331 192 W HA -0.118 4.543 4.660 0.002 0.000 0.291 192 W C 1.175 177.402 176.519 -0.486 0.000 1.214 192 W CA 1.194 57.714 57.345 -1.374 0.000 1.228 192 W CB -1.233 27.649 29.460 -0.964 0.000 1.135 192 W HN 0.087 nan 8.180 nan 0.000 0.537 193 G N 1.125 109.245 108.800 -1.134 0.000 2.650 193 G HA2 -0.157 3.804 3.960 0.002 0.000 0.214 193 G HA3 -0.157 3.804 3.960 0.002 0.000 0.214 193 G C 0.712 175.400 174.900 -0.354 0.000 1.136 193 G CA -0.007 44.510 45.100 -0.972 0.000 0.789 193 G HN 0.239 nan 8.290 nan 0.000 0.536 194 K N 0.173 120.466 120.400 -0.177 0.000 2.419 194 K HA 0.548 4.869 4.320 0.002 0.000 0.244 194 K C -1.631 175.090 176.600 0.202 0.000 1.045 194 K CA -0.669 55.628 56.287 0.016 0.000 1.004 194 K CB 0.423 32.952 32.500 0.048 0.000 1.376 194 K HN 0.044 nan 8.250 nan 0.000 0.460 195 L N 3.223 124.538 121.223 0.154 0.000 2.516 195 L HA 0.334 4.676 4.340 0.002 0.000 0.267 195 L C -1.423 175.445 176.870 -0.002 0.000 0.957 195 L CA -0.391 54.548 54.840 0.166 0.000 0.860 195 L CB 1.926 44.154 42.059 0.281 0.000 1.265 195 L HN 0.505 nan 8.230 nan 0.000 0.403 196 Q N 3.253 123.002 119.800 -0.085 0.000 2.295 196 Q HA 0.536 4.877 4.340 0.002 0.000 0.259 196 Q C -1.540 174.142 176.000 -0.530 0.000 0.976 196 Q CA -0.020 55.565 55.803 -0.365 0.000 0.923 196 Q CB 1.163 29.597 28.738 -0.506 0.000 1.185 196 Q HN 0.520 nan 8.270 nan 0.000 0.410 197 V N 6.331 125.925 119.914 -0.533 0.000 2.347 197 V HA 0.402 4.523 4.120 0.002 0.000 0.280 197 V C -0.736 175.023 176.094 -0.560 0.000 1.021 197 V CA -0.578 61.469 62.300 -0.421 0.000 0.847 197 V CB 0.349 32.043 31.823 -0.216 0.000 0.990 197 V HN 0.643 nan 8.190 nan 0.000 0.444 198 F N 2.645 122.472 119.950 -0.205 0.000 2.405 198 F HA 0.388 4.916 4.527 0.002 0.000 0.355 198 F C 0.495 176.140 175.800 -0.258 0.000 1.121 198 F CA -0.895 56.983 58.000 -0.204 0.000 1.112 198 F CB 1.009 39.902 39.000 -0.178 0.000 1.126 198 F HN 0.437 nan 8.300 nan 0.000 0.481 199 D N 3.042 123.409 120.400 -0.054 0.000 2.365 199 D HA 0.406 5.047 4.640 0.002 0.000 0.237 199 D C 0.077 176.219 176.300 -0.262 0.000 1.190 199 D CA -0.028 53.872 54.000 -0.167 0.000 0.867 199 D CB 1.166 41.904 40.800 -0.104 0.000 1.050 199 D HN 0.605 nan 8.370 nan 0.000 0.491 200 A N 4.537 127.028 122.820 -0.549 0.000 2.637 200 A HA 0.175 4.496 4.320 0.002 0.000 0.293 200 A C 1.486 178.762 177.584 -0.513 0.000 1.216 200 A CA -0.406 51.049 52.037 -0.971 0.000 0.956 200 A CB 0.013 17.925 19.000 -1.812 0.000 1.174 200 A HN 0.566 nan 8.150 nan 0.000 0.525 201 R N 0.711 121.047 120.500 -0.274 0.000 2.323 201 R HA -0.041 4.300 4.340 0.002 0.000 0.198 201 R C 0.250 176.500 176.300 -0.084 0.000 0.988 201 R CA 1.002 57.020 56.100 -0.138 0.000 1.041 201 R CB 0.078 30.358 30.300 -0.033 0.000 0.926 201 R HN 0.616 nan 8.270 nan 0.000 0.476 202 D N -0.574 119.792 120.400 -0.056 0.000 2.460 202 D HA -0.032 4.609 4.640 0.002 0.000 0.229 202 D C -0.181 176.173 176.300 0.090 0.000 1.170 202 D CA -0.362 53.656 54.000 0.030 0.000 0.827 202 D CB -0.557 40.285 40.800 0.070 0.000 0.973 202 D HN -0.034 nan 8.370 nan 0.000 0.496 203 C N 1.222 120.544 119.300 0.036 0.000 2.452 203 C HA 0.522 4.983 4.460 0.002 0.000 0.379 203 C C 1.529 176.628 174.990 0.181 0.000 1.275 203 C CA 0.166 59.277 59.018 0.154 0.000 2.056 203 C CB 0.146 27.982 27.740 0.160 0.000 2.506 203 C HN 0.477 nan 8.230 nan 0.000 0.560 204 S N 2.284 118.146 115.700 0.269 0.000 2.733 204 S HA 0.299 4.770 4.470 0.002 0.000 0.247 204 S C -0.026 174.743 174.600 0.282 0.000 1.043 204 S CA 0.215 58.609 58.200 0.323 0.000 1.066 204 S CB -0.203 63.121 63.200 0.206 0.000 1.045 204 S HN 1.213 nan 8.310 nan 0.000 0.586 205 S N -0.373 115.488 115.700 0.268 0.000 2.570 205 S HA 0.807 5.279 4.470 0.002 0.000 0.270 205 S C 0.843 175.535 174.600 0.153 0.000 1.149 205 S CA -0.296 58.008 58.200 0.172 0.000 0.837 205 S CB 1.056 64.336 63.200 0.133 0.000 1.124 205 S HN 0.540 nan 8.310 nan 0.000 0.465 206 A N 1.189 124.075 122.820 0.110 0.000 1.933 206 A HA -0.087 4.234 4.320 0.002 0.000 0.218 206 A C 2.134 179.688 177.584 -0.049 0.000 1.175 206 A CA 1.605 53.690 52.037 0.081 0.000 0.628 206 A CB -0.972 18.146 19.000 0.197 0.000 0.814 206 A HN 0.781 nan 8.150 nan 0.000 0.444 207 Q N -0.034 119.823 119.800 0.095 0.000 2.077 207 Q HA -0.222 4.119 4.340 0.002 0.000 0.206 207 Q C 1.917 177.906 176.000 -0.018 0.000 0.989 207 Q CA 2.190 58.012 55.803 0.031 0.000 0.853 207 Q CB -0.317 28.523 28.738 0.169 0.000 0.907 207 Q HN 0.832 nan 8.270 nan 0.000 0.418 208 E N -0.477 119.764 120.200 0.070 0.000 2.106 208 E HA -0.118 4.233 4.350 0.002 0.000 0.192 208 E C 2.173 178.911 176.600 0.230 0.000 0.984 208 E CA 0.758 57.235 56.400 0.129 0.000 0.806 208 E CB -0.125 29.703 29.700 0.213 0.000 0.750 208 E HN 0.369 nan 8.360 nan 0.000 0.458 209 M N 0.143 119.824 119.600 0.135 0.000 2.106 209 M HA -0.190 4.291 4.480 0.002 0.000 0.259 209 M C 2.245 178.582 176.300 0.061 0.000 1.068 209 M CA 1.431 56.742 55.300 0.017 0.000 1.100 209 M CB -0.393 32.001 32.600 -0.344 0.000 1.351 209 M HN 0.115 nan 8.290 nan 0.000 0.404 210 F N 1.354 121.096 119.950 -0.348 0.000 2.102 210 F HA -0.172 4.356 4.527 0.002 0.000 0.298 210 F C 2.340 178.026 175.800 -0.191 0.000 1.105 210 F CA 1.893 59.629 58.000 -0.440 0.000 1.239 210 F CB -0.809 37.568 39.000 -1.039 0.000 0.991 210 F HN 0.047 nan 8.300 nan 0.000 0.474 211 T N -0.317 114.071 114.554 -0.277 0.000 2.684 211 T HA -0.250 4.101 4.350 0.002 0.000 0.267 211 T C 1.734 176.263 174.700 -0.286 0.000 1.036 211 T CA 1.963 63.853 62.100 -0.349 0.000 1.148 211 T CB -0.818 67.892 68.868 -0.264 0.000 0.863 211 T HN 0.287 nan 8.240 nan 0.000 0.436 212 Y N 1.028 121.278 120.300 -0.084 0.000 2.128 212 Y HA -0.053 4.498 4.550 0.002 0.000 0.284 212 Y C 2.272 178.133 175.900 -0.064 0.000 1.154 212 Y CA 0.653 58.725 58.100 -0.047 0.000 1.149 212 Y CB -0.607 37.934 38.460 0.136 0.000 0.976 212 Y HN 0.187 nan 8.280 nan 0.000 0.505 213 I N -1.590 119.074 120.570 0.156 0.000 2.226 213 I HA -0.360 3.811 4.170 0.002 0.000 0.245 213 I C 2.359 178.424 176.117 -0.087 0.000 1.100 213 I CA 1.058 62.387 61.300 0.048 0.000 1.374 213 I CB -0.524 37.501 38.000 0.041 0.000 1.057 213 I HN 0.278 nan 8.210 nan 0.000 0.413 214 C N 0.711 119.847 119.300 -0.274 0.000 2.413 214 C HA -0.153 4.308 4.460 0.002 0.000 0.276 214 C C 2.645 177.530 174.990 -0.175 0.000 1.248 214 C CA 0.922 59.758 59.018 -0.303 0.000 1.742 214 C CB -1.415 26.002 27.740 -0.540 0.000 2.017 214 C HN 0.550 nan 8.230 nan 0.000 0.481 215 N N -0.173 118.406 118.700 -0.201 0.000 2.120 215 N HA -0.137 4.604 4.740 0.002 0.000 0.188 215 N C 1.434 176.829 175.510 -0.192 0.000 1.024 215 N CA 1.460 54.380 53.050 -0.216 0.000 0.852 215 N CB -0.835 37.458 38.487 -0.323 0.000 1.003 215 N HN 0.754 nan 8.380 nan 0.000 0.424 216 H N 0.625 119.522 119.070 -0.289 0.000 2.290 216 H HA -0.003 4.554 4.556 0.002 0.000 0.298 216 H C 2.161 177.510 175.328 0.035 0.000 1.087 216 H CA 1.774 57.728 56.048 -0.157 0.000 1.291 216 H CB -0.108 29.620 29.762 -0.057 0.000 1.369 216 H HN 0.084 nan 8.280 nan 0.000 0.492 217 I N 0.635 121.353 120.570 0.247 0.000 2.127 217 I HA -0.313 3.859 4.170 0.002 0.000 0.241 217 I C 2.718 178.913 176.117 0.130 0.000 1.075 217 I CA 1.710 63.117 61.300 0.178 0.000 1.334 217 I CB -0.358 37.674 38.000 0.053 0.000 1.040 217 I HN 0.336 nan 8.210 nan 0.000 0.405 218 K N 0.274 120.714 120.400 0.067 0.000 2.032 218 K HA -0.282 4.039 4.320 0.002 0.000 0.209 218 K C 2.390 179.038 176.600 0.080 0.000 1.048 218 K CA 1.970 58.286 56.287 0.048 0.000 0.927 218 K CB -0.348 32.157 32.500 0.008 0.000 0.712 218 K HN 0.255 nan 8.250 nan 0.000 0.441 219 Y N 0.707 121.014 120.300 0.011 0.000 2.114 219 Y HA -0.226 4.325 4.550 0.002 0.000 0.284 219 Y C 2.087 178.044 175.900 0.094 0.000 1.143 219 Y CA 1.941 60.079 58.100 0.064 0.000 1.135 219 Y CB -0.493 38.041 38.460 0.123 0.000 0.980 219 Y HN 0.172 nan 8.280 nan 0.000 0.499 220 A N -0.750 122.224 122.820 0.256 0.000 1.908 220 A HA -0.189 4.132 4.320 0.002 0.000 0.218 220 A C 2.197 179.844 177.584 0.105 0.000 1.181 220 A CA 2.352 54.512 52.037 0.204 0.000 0.627 220 A CB -1.302 17.873 19.000 0.293 0.000 0.818 220 A HN 0.540 nan 8.150 nan 0.000 0.445 221 T N -0.658 113.951 114.554 0.093 0.000 2.732 221 T HA -0.071 4.280 4.350 0.002 0.000 0.261 221 T C 0.981 175.691 174.700 0.016 0.000 1.040 221 T CA 0.907 63.053 62.100 0.077 0.000 1.145 221 T CB -0.462 68.452 68.868 0.076 0.000 0.866 221 T HN 0.748 nan 8.240 nan 0.000 0.427 222 N N 0.908 119.588 118.700 -0.034 0.000 2.714 222 N HA -0.268 4.473 4.740 0.002 0.000 0.253 222 N C -0.579 174.906 175.510 -0.042 0.000 1.024 222 N CA 0.153 53.155 53.050 -0.079 0.000 0.726 222 N CB -0.568 37.826 38.487 -0.156 0.000 0.908 222 N HN 0.379 nan 8.380 nan 0.000 0.542 223 R N -1.740 118.747 120.500 -0.020 0.000 3.722 223 R HA -0.258 4.083 4.340 0.002 0.000 0.284 223 R C 1.279 177.569 176.300 -0.017 0.000 1.165 223 R CA 1.304 57.394 56.100 -0.016 0.000 0.779 223 R CB -1.962 28.325 30.300 -0.022 0.000 1.179 223 R HN 0.867 nan 8.270 nan 0.000 0.491 224 G N -0.504 108.295 108.800 -0.002 0.000 2.218 224 G HA2 -0.334 3.627 3.960 0.002 0.000 0.216 224 G HA3 -0.334 3.627 3.960 0.002 0.000 0.216 224 G C -0.083 174.816 174.900 -0.002 0.000 0.994 224 G CA 0.035 45.138 45.100 0.005 0.000 0.637 224 G HN 0.499 nan 8.290 nan 0.000 0.505 225 N N 1.087 119.772 118.700 -0.025 0.000 3.034 225 N HA 0.438 5.179 4.740 0.002 0.000 0.265 225 N C 0.159 175.653 175.510 -0.027 0.000 1.166 225 N CA -0.652 52.367 53.050 -0.051 0.000 1.081 225 N CB -0.055 38.394 38.487 -0.063 0.000 1.378 225 N HN 0.138 nan 8.380 nan 0.000 0.520 226 L N 2.454 123.692 121.223 0.025 0.000 2.485 226 L HA 0.133 4.474 4.340 0.002 0.000 0.275 226 L C 0.640 177.648 176.870 0.230 0.000 1.207 226 L CA 0.847 55.780 54.840 0.156 0.000 0.855 226 L CB 0.429 42.676 42.059 0.313 0.000 1.114 226 L HN 0.374 nan 8.230 nan 0.000 0.485 227 R N 1.476 122.113 120.500 0.229 0.000 2.561 227 R HA 0.431 4.772 4.340 0.002 0.000 0.297 227 R C -0.637 175.839 176.300 0.293 0.000 0.969 227 R CA -0.701 55.554 56.100 0.258 0.000 0.879 227 R CB 1.724 32.059 30.300 0.057 0.000 1.178 227 R HN 0.574 nan 8.270 nan 0.000 0.445 228 S N 1.508 117.376 115.700 0.281 0.000 2.549 228 S HA 0.369 4.840 4.470 0.002 0.000 0.286 228 S C -0.221 174.438 174.600 0.097 0.000 1.314 228 S CA -0.145 58.116 58.200 0.102 0.000 1.062 228 S CB 1.050 64.263 63.200 0.022 0.000 0.865 228 S HN 0.680 nan 8.310 nan 0.000 0.498 229 A N 2.945 125.782 122.820 0.029 0.000 2.572 229 A HA 0.823 5.144 4.320 0.002 0.000 0.295 229 A C -1.084 176.523 177.584 0.038 0.000 1.072 229 A CA -0.649 51.352 52.037 -0.060 0.000 0.691 229 A CB 1.204 20.095 19.000 -0.181 0.000 1.291 229 A HN 0.800 nan 8.150 nan 0.000 0.404 230 I N 0.602 121.191 120.570 0.031 0.000 2.686 230 I HA 0.670 4.841 4.170 0.002 0.000 0.295 230 I C -1.032 175.207 176.117 0.202 0.000 1.114 230 I CA -0.187 61.252 61.300 0.231 0.000 1.038 230 I CB 2.468 40.563 38.000 0.158 0.000 1.238 230 I HN 0.616 nan 8.210 nan 0.000 0.420 231 T N 5.981 120.691 114.554 0.259 0.000 2.824 231 T HA 0.476 4.827 4.350 0.002 0.000 0.282 231 T C -0.872 173.662 174.700 -0.275 0.000 0.993 231 T CA -0.389 61.708 62.100 -0.004 0.000 0.967 231 T CB 1.715 70.578 68.868 -0.008 0.000 0.960 231 T HN 0.258 nan 8.240 nan 0.000 0.441 232 V N 4.779 124.436 119.914 -0.428 0.000 2.334 232 V HA 0.475 4.597 4.120 0.002 0.000 0.281 232 V C -0.508 175.283 176.094 -0.506 0.000 1.016 232 V CA -0.816 61.244 62.300 -0.400 0.000 0.832 232 V CB 0.023 31.563 31.823 -0.472 0.000 0.999 232 V HN 0.725 nan 8.190 nan 0.000 0.439 233 F N 5.287 125.165 119.950 -0.120 0.000 2.362 233 F HA 0.514 5.042 4.527 0.002 0.000 0.311 233 F C -1.806 173.900 175.800 -0.155 0.000 1.161 233 F CA -2.384 55.479 58.000 -0.229 0.000 1.085 233 F CB 0.212 39.091 39.000 -0.202 0.000 1.311 233 F HN 0.281 nan 8.300 nan 0.000 0.524 234 P HA 0.023 nan 4.420 nan 0.000 0.266 234 P C -1.067 176.246 177.300 0.021 0.000 1.195 234 P CA -0.286 62.711 63.100 -0.172 0.000 0.768 234 P CB 0.249 31.634 31.700 -0.526 0.000 0.838 235 Q N 3.286 123.069 119.800 -0.029 0.000 2.454 235 Q HA 0.150 4.491 4.340 0.002 0.000 0.247 235 Q C -0.182 175.734 176.000 -0.140 0.000 1.028 235 Q CA -0.359 55.217 55.803 -0.379 0.000 0.910 235 Q CB 0.538 28.809 28.738 -0.779 0.000 1.276 235 Q HN 0.335 nan 8.270 nan 0.000 0.489 236 R N 0.205 120.598 120.500 -0.178 0.000 2.679 236 R HA 0.352 4.693 4.340 0.002 0.000 0.268 236 R C -0.631 175.620 176.300 -0.081 0.000 1.044 236 R CA 0.397 56.456 56.100 -0.067 0.000 1.105 236 R CB 0.430 30.680 30.300 -0.084 0.000 0.989 236 R HN 0.731 nan 8.270 nan 0.000 0.447 237 A N 3.840 126.650 122.820 -0.017 0.000 2.393 237 A HA 0.446 4.767 4.320 0.002 0.000 0.306 237 A C -1.771 175.809 177.584 -0.007 0.000 1.050 237 A CA -1.594 50.435 52.037 -0.014 0.000 0.724 237 A CB 1.429 20.449 19.000 0.033 0.000 1.248 237 A HN 0.437 nan 8.150 nan 0.000 0.424 238 P HA -0.212 nan 4.420 nan 0.000 0.217 238 P C 1.504 178.805 177.300 0.002 0.000 1.162 238 P CA 2.384 65.479 63.100 -0.007 0.000 0.901 238 P CB 0.050 31.749 31.700 -0.002 0.000 0.793 239 G N -0.870 107.935 108.800 0.010 0.000 2.650 239 G HA2 -0.019 3.942 3.960 0.002 0.000 0.214 239 G HA3 -0.019 3.942 3.960 0.002 0.000 0.214 239 G C 0.671 175.577 174.900 0.009 0.000 1.136 239 G CA 0.160 45.267 45.100 0.011 0.000 0.789 239 G HN 0.442 nan 8.290 nan 0.000 0.536 240 R N -1.953 118.552 120.500 0.009 0.000 2.781 240 R HA 0.643 4.984 4.340 0.002 0.000 0.269 240 R C 0.181 176.480 176.300 -0.001 0.000 1.025 240 R CA -0.287 55.816 56.100 0.005 0.000 0.914 240 R CB 0.128 30.433 30.300 0.009 0.000 1.236 240 R HN 0.004 nan 8.270 nan 0.000 0.465 241 G N 0.339 109.130 108.800 -0.015 0.000 2.614 241 G HA2 0.204 4.165 3.960 0.002 0.000 0.239 241 G HA3 0.204 4.165 3.960 0.002 0.000 0.239 241 G C -0.857 174.026 174.900 -0.028 0.000 1.240 241 G CA -0.390 44.697 45.100 -0.021 0.000 0.842 241 G HN 0.597 nan 8.290 nan 0.000 0.584 242 D N -0.161 120.240 120.400 0.001 0.000 2.304 242 D HA 0.237 4.878 4.640 0.002 0.000 0.247 242 D C 0.111 176.420 176.300 0.016 0.000 1.089 242 D CA 0.067 54.100 54.000 0.055 0.000 0.910 242 D CB 0.865 41.708 40.800 0.072 0.000 1.199 242 D HN 0.116 nan 8.370 nan 0.000 0.426 243 F N 1.905 121.886 119.950 0.053 0.000 2.543 243 F HA 0.156 4.684 4.527 0.002 0.000 0.375 243 F C 1.257 177.095 175.800 0.064 0.000 1.075 243 F CA 0.352 58.378 58.000 0.043 0.000 1.225 243 F CB 0.391 39.415 39.000 0.040 0.000 1.099 243 F HN -0.168 nan 8.300 nan 0.000 0.561 244 R N 3.758 124.385 120.500 0.212 0.000 2.651 244 R HA 0.508 4.849 4.340 0.002 0.000 0.278 244 R C -1.155 175.292 176.300 0.245 0.000 1.010 244 R CA -0.956 55.278 56.100 0.224 0.000 0.896 244 R CB 2.136 32.581 30.300 0.242 0.000 1.211 244 R HN 0.594 nan 8.270 nan 0.000 0.456 245 I N 1.896 122.594 120.570 0.213 0.000 2.321 245 I HA 0.174 4.345 4.170 0.002 0.000 0.291 245 I C 0.551 176.877 176.117 0.348 0.000 0.998 245 I CA -0.365 61.066 61.300 0.219 0.000 1.227 245 I CB 1.109 39.178 38.000 0.114 0.000 1.368 245 I HN 0.519 nan 8.210 nan 0.000 0.466 246 W N 3.303 124.648 121.300 0.074 0.000 2.436 246 W HA -0.029 4.632 4.660 0.002 0.000 0.284 246 W C 0.918 177.554 176.519 0.194 0.000 1.225 246 W CA -0.024 57.433 57.345 0.188 0.000 1.271 246 W CB -0.845 28.706 29.460 0.153 0.000 1.114 246 W HN 0.397 nan 8.180 nan 0.000 0.559 247 N N 0.223 119.090 118.700 0.278 0.000 2.454 247 N HA -0.014 4.728 4.740 0.002 0.000 0.254 247 N C 1.318 176.897 175.510 0.114 0.000 1.228 247 N CA 0.928 54.062 53.050 0.141 0.000 0.900 247 N CB 0.746 39.252 38.487 0.031 0.000 1.089 247 N HN -0.075 nan 8.380 nan 0.000 0.449 248 S N 0.996 116.755 115.700 0.098 0.000 2.436 248 S HA -0.013 4.458 4.470 0.002 0.000 0.228 248 S C 0.321 174.920 174.600 -0.003 0.000 1.014 248 S CA 0.561 58.802 58.200 0.067 0.000 0.950 248 S CB 0.114 63.373 63.200 0.098 0.000 0.784 248 S HN 0.646 nan 8.310 nan 0.000 0.504 249 Q N -0.620 119.163 119.800 -0.029 0.000 2.421 249 Q HA 0.512 4.853 4.340 0.002 0.000 0.280 249 Q C 0.202 176.120 176.000 -0.135 0.000 1.085 249 Q CA -0.545 55.201 55.803 -0.095 0.000 0.807 249 Q CB 2.040 30.744 28.738 -0.056 0.000 1.405 249 Q HN 0.106 nan 8.270 nan 0.000 0.419 250 L N 0.215 121.336 121.223 -0.170 0.000 2.083 250 L HA -0.025 4.316 4.340 0.002 0.000 0.209 250 L C 0.404 177.137 176.870 -0.228 0.000 1.083 250 L CA 0.978 55.719 54.840 -0.165 0.000 0.752 250 L CB 0.098 42.055 42.059 -0.169 0.000 0.899 250 L HN 0.292 nan 8.230 nan 0.000 0.433 251 V N 0.350 120.043 119.914 -0.369 0.000 2.444 251 V HA 0.472 4.593 4.120 0.002 0.000 0.294 251 V C -0.169 175.341 176.094 -0.973 0.000 1.022 251 V CA -0.624 61.284 62.300 -0.654 0.000 0.850 251 V CB 1.708 33.051 31.823 -0.799 0.000 0.992 251 V HN 0.215 nan 8.190 nan 0.000 0.426 252 R N 2.383 122.450 120.500 -0.723 0.000 2.734 252 R HA 0.549 4.890 4.340 0.002 0.000 0.271 252 R C -1.898 174.173 176.300 -0.383 0.000 1.021 252 R CA -0.919 54.850 56.100 -0.552 0.000 0.893 252 R CB 2.454 32.646 30.300 -0.180 0.000 1.244 252 R HN 0.547 nan 8.270 nan 0.000 0.464 253 Y N 0.258 120.537 120.300 -0.036 0.000 2.352 253 Y HA 0.492 5.044 4.550 0.002 0.000 0.326 253 Y C 0.739 176.616 175.900 -0.038 0.000 1.166 253 Y CA -0.779 57.328 58.100 0.011 0.000 1.182 253 Y CB 1.383 39.925 38.460 0.137 0.000 1.216 253 Y HN 0.684 nan 8.280 nan 0.000 0.474 254 A N 1.335 124.206 122.820 0.085 0.000 2.406 254 A HA 0.559 4.881 4.320 0.002 0.000 0.243 254 A C 0.534 177.922 177.584 -0.326 0.000 1.082 254 A CA 0.307 52.230 52.037 -0.190 0.000 0.786 254 A CB -0.276 18.525 19.000 -0.330 0.000 1.029 254 A HN 0.936 nan 8.150 nan 0.000 0.495 255 G N 0.094 108.660 108.800 -0.390 0.000 2.644 255 G HA2 0.545 4.506 3.960 0.002 0.000 0.300 255 G HA3 0.545 4.506 3.960 0.002 0.000 0.300 255 G C -1.281 173.421 174.900 -0.330 0.000 1.395 255 G CA -0.261 44.652 45.100 -0.311 0.000 0.964 255 G HN 0.498 nan 8.290 nan 0.000 0.511 256 Y N 1.470 121.780 120.300 0.017 0.000 2.385 256 Y HA 0.438 4.989 4.550 0.002 0.000 0.341 256 Y C 0.902 176.800 175.900 -0.004 0.000 0.965 256 Y CA -1.142 56.967 58.100 0.014 0.000 1.180 256 Y CB 1.291 39.754 38.460 0.005 0.000 1.139 256 Y HN 0.566 nan 8.280 nan 0.000 0.502 257 R N 2.465 123.041 120.500 0.126 0.000 2.484 257 R HA 0.112 4.453 4.340 0.002 0.000 0.293 257 R C -0.531 175.811 176.300 0.070 0.000 1.023 257 R CA 0.087 56.231 56.100 0.072 0.000 1.037 257 R CB 0.346 30.676 30.300 0.051 0.000 0.951 257 R HN 0.672 nan 8.270 nan 0.000 0.418 258 Q N 1.579 121.407 119.800 0.047 0.000 2.204 258 Q HA 0.088 4.429 4.340 0.002 0.000 0.254 258 Q C 0.532 176.542 176.000 0.016 0.000 0.981 258 Q CA -0.331 55.489 55.803 0.028 0.000 0.897 258 Q CB 1.837 30.588 28.738 0.022 0.000 1.273 258 Q HN 0.689 nan 8.270 nan 0.000 0.464 259 Q N 0.854 120.658 119.800 0.006 0.000 2.096 259 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 259 Q C 0.277 176.279 176.000 0.003 0.000 0.982 259 Q CA 2.170 57.974 55.803 0.002 0.000 0.850 259 Q CB 0.113 28.848 28.738 -0.005 0.000 0.901 259 Q HN 0.764 nan 8.270 nan 0.000 0.422 260 D N -1.634 118.768 120.400 0.003 0.000 2.348 260 D HA 0.012 4.653 4.640 0.002 0.000 0.248 260 D C 1.058 177.362 176.300 0.007 0.000 1.142 260 D CA 0.816 54.818 54.000 0.003 0.000 0.904 260 D CB -0.088 40.712 40.800 0.001 0.000 0.901 260 D HN 0.559 nan 8.370 nan 0.000 0.523 261 G N 0.975 109.781 108.800 0.010 0.000 2.284 261 G HA2 -0.372 3.589 3.960 0.002 0.000 0.261 261 G HA3 -0.372 3.589 3.960 0.002 0.000 0.261 261 G C 0.638 175.546 174.900 0.014 0.000 0.997 261 G CA 0.747 45.855 45.100 0.012 0.000 0.621 261 G HN 0.719 nan 8.290 nan 0.000 0.534 262 S N -0.883 114.824 115.700 0.013 0.000 2.617 262 S HA 0.670 5.141 4.470 0.002 0.000 0.259 262 S C 0.095 174.703 174.600 0.013 0.000 1.301 262 S CA 0.033 58.239 58.200 0.011 0.000 0.984 262 S CB 2.183 65.389 63.200 0.009 0.000 0.954 262 S HN 1.078 nan 8.310 nan 0.000 0.572 263 V N 1.487 121.402 119.914 0.002 0.000 2.540 263 V HA 0.552 4.673 4.120 0.002 0.000 0.302 263 V C 0.017 176.104 176.094 -0.012 0.000 1.035 263 V CA -0.842 61.456 62.300 -0.004 0.000 0.873 263 V CB 1.485 33.288 31.823 -0.034 0.000 0.992 263 V HN 0.958 nan 8.190 nan 0.000 0.428 264 R N 3.606 124.128 120.500 0.036 0.000 2.297 264 R HA 0.715 5.057 4.340 0.002 0.000 0.308 264 R C 0.518 176.826 176.300 0.012 0.000 1.029 264 R CA 1.102 57.233 56.100 0.052 0.000 0.929 264 R CB 0.820 31.200 30.300 0.133 0.000 1.046 264 R HN 1.265 nan 8.270 nan 0.000 0.461 265 G N 2.860 111.605 108.800 -0.092 0.000 2.499 265 G HA2 -0.251 3.711 3.960 0.002 0.000 0.232 265 G HA3 -0.251 3.711 3.960 0.002 0.000 0.232 265 G C -1.272 173.341 174.900 -0.477 0.000 1.251 265 G CA -0.017 44.968 45.100 -0.193 0.000 0.917 265 G HN 0.726 nan 8.290 nan 0.000 0.580 266 D N 1.639 121.825 120.400 -0.357 0.000 2.339 266 D HA 0.529 5.170 4.640 0.002 0.000 0.241 266 D C -0.941 175.230 176.300 -0.215 0.000 1.183 266 D CA -1.918 51.831 54.000 -0.417 0.000 0.859 266 D CB 1.338 42.170 40.800 0.054 0.000 1.067 266 D HN 0.002 nan 8.370 nan 0.000 0.484 267 P HA -0.067 nan 4.420 nan 0.000 0.221 267 P C 0.846 178.140 177.300 -0.009 0.000 1.145 267 P CA 0.713 63.761 63.100 -0.088 0.000 0.795 267 P CB 0.241 31.902 31.700 -0.066 0.000 0.775 268 A N -0.496 122.333 122.820 0.016 0.000 2.121 268 A HA -0.107 4.214 4.320 0.002 0.000 0.218 268 A C 1.580 179.209 177.584 0.075 0.000 1.154 268 A CA 1.292 53.377 52.037 0.081 0.000 0.679 268 A CB -0.758 18.314 19.000 0.121 0.000 0.795 268 A HN 0.150 nan 8.150 nan 0.000 0.458 269 N N -0.738 117.983 118.700 0.035 0.000 2.235 269 N HA 0.145 4.886 4.740 0.002 0.000 0.231 269 N C 1.052 176.548 175.510 -0.023 0.000 1.177 269 N CA 0.162 53.223 53.050 0.019 0.000 0.874 269 N CB 0.731 39.226 38.487 0.013 0.000 1.097 269 N HN 0.165 nan 8.380 nan 0.000 0.518 270 V N 1.074 120.979 119.914 -0.015 0.000 2.255 270 V HA -0.236 3.885 4.120 0.002 0.000 0.247 270 V C 2.407 178.491 176.094 -0.017 0.000 1.051 270 V CA 1.818 64.106 62.300 -0.020 0.000 1.018 270 V CB -0.234 31.591 31.823 0.003 0.000 0.641 270 V HN 0.376 nan 8.190 nan 0.000 0.445 271 E N -0.503 119.696 120.200 -0.001 0.000 2.051 271 E HA -0.245 4.106 4.350 0.002 0.000 0.192 271 E C 2.165 178.666 176.600 -0.165 0.000 0.991 271 E CA 1.605 57.980 56.400 -0.042 0.000 0.799 271 E CB -0.139 29.592 29.700 0.051 0.000 0.748 271 E HN 0.505 nan 8.360 nan 0.000 0.449 272 I N 0.807 121.290 120.570 -0.144 0.000 2.286 272 I HA -0.229 3.942 4.170 0.002 0.000 0.248 272 I C 2.070 178.116 176.117 -0.118 0.000 1.115 272 I CA 1.516 62.698 61.300 -0.196 0.000 1.392 272 I CB -0.336 37.614 38.000 -0.082 0.000 1.065 272 I HN 0.073 nan 8.210 nan 0.000 0.418 273 T N 0.149 114.663 114.554 -0.068 0.000 2.684 273 T HA -0.222 4.129 4.350 0.002 0.000 0.267 273 T C 1.763 176.511 174.700 0.080 0.000 1.036 273 T CA 1.938 64.042 62.100 0.006 0.000 1.148 273 T CB -0.361 68.485 68.868 -0.036 0.000 0.863 273 T HN 0.452 nan 8.240 nan 0.000 0.436 274 E N 0.531 120.746 120.200 0.025 0.000 2.153 274 E HA -0.029 4.323 4.350 0.002 0.000 0.194 274 E C 2.146 178.753 176.600 0.011 0.000 0.988 274 E CA 0.671 57.090 56.400 0.031 0.000 0.811 274 E CB -0.259 29.441 29.700 0.000 0.000 0.746 274 E HN 0.415 nan 8.360 nan 0.000 0.466 275 L N -0.034 121.163 121.223 -0.043 0.000 2.056 275 L HA -0.201 4.140 4.340 0.002 0.000 0.207 275 L C 2.478 179.427 176.870 0.131 0.000 1.078 275 L CA 0.677 55.523 54.840 0.011 0.000 0.749 275 L CB -0.316 41.680 42.059 -0.104 0.000 0.901 275 L HN 0.321 nan 8.230 nan 0.000 0.433 276 C N 0.091 119.431 119.300 0.065 0.000 2.413 276 C HA -0.187 4.274 4.460 0.002 0.000 0.276 276 C C 2.714 177.853 174.990 0.248 0.000 1.236 276 C CA 0.628 59.703 59.018 0.094 0.000 1.735 276 C CB -0.722 26.993 27.740 -0.041 0.000 2.031 276 C HN 0.426 nan 8.230 nan 0.000 0.474 277 I N 0.492 121.225 120.570 0.270 0.000 2.226 277 I HA -0.275 3.896 4.170 0.002 0.000 0.245 277 I C 2.808 178.967 176.117 0.070 0.000 1.100 277 I CA 1.756 63.175 61.300 0.198 0.000 1.374 277 I CB -0.695 37.395 38.000 0.150 0.000 1.057 277 I HN 0.481 nan 8.210 nan 0.000 0.413 278 Q N 0.567 120.374 119.800 0.010 0.000 2.291 278 Q HA -0.213 4.128 4.340 0.002 0.000 0.205 278 Q C 1.080 176.927 176.000 -0.254 0.000 0.970 278 Q CA 1.505 57.234 55.803 -0.124 0.000 0.876 278 Q CB -0.009 28.632 28.738 -0.162 0.000 0.935 278 Q HN 0.615 nan 8.270 nan 0.000 0.455 279 H N -1.520 117.526 119.070 -0.040 0.000 2.537 279 H HA 0.270 4.827 4.556 0.002 0.000 0.295 279 H C 0.567 175.861 175.328 -0.057 0.000 1.054 279 H CA 0.559 56.556 56.048 -0.084 0.000 1.156 279 H CB 0.783 30.446 29.762 -0.165 0.000 1.468 279 H HN 0.476 nan 8.280 nan 0.000 0.551 280 G N -0.152 108.679 108.800 0.052 0.000 2.144 280 G HA2 -0.262 3.699 3.960 0.002 0.000 0.218 280 G HA3 -0.262 3.699 3.960 0.002 0.000 0.218 280 G C -0.183 174.783 174.900 0.109 0.000 0.988 280 G CA -0.223 44.900 45.100 0.038 0.000 0.659 280 G HN 0.374 nan 8.290 nan 0.000 0.522 281 W N 2.484 123.757 121.300 -0.045 0.000 2.266 281 W HA 0.624 5.285 4.660 0.002 0.000 0.317 281 W C 0.416 176.925 176.519 -0.017 0.000 1.310 281 W CA 0.106 57.431 57.345 -0.034 0.000 1.207 281 W CB 0.685 30.134 29.460 -0.019 0.000 1.199 281 W HN 0.056 nan 8.180 nan 0.000 0.544 282 T N 9.830 124.103 114.554 -0.468 0.000 2.727 282 T HA 0.175 4.526 4.350 0.002 0.000 0.295 282 T C -2.104 171.868 174.700 -1.213 0.000 0.915 282 T CA -0.820 60.925 62.100 -0.591 0.000 1.066 282 T CB 0.331 68.997 68.868 -0.338 0.000 0.891 282 T HN 0.208 nan 8.240 nan 0.000 0.516 283 P HA 0.309 nan 4.420 nan 0.000 0.278 283 P C 0.526 177.419 177.300 -0.678 0.000 1.238 283 P CA -0.367 62.031 63.100 -1.171 0.000 0.794 283 P CB 0.839 32.259 31.700 -0.467 0.000 0.955 284 G N 1.743 110.297 108.800 -0.410 0.000 2.516 284 G HA2 0.202 4.163 3.960 0.002 0.000 0.276 284 G HA3 0.202 4.163 3.960 0.002 0.000 0.276 284 G C 0.324 174.952 174.900 -0.454 0.000 1.390 284 G CA -0.459 44.525 45.100 -0.193 0.000 1.050 284 G HN 0.696 nan 8.290 nan 0.000 0.519 285 N N -1.179 117.339 118.700 -0.304 0.000 2.387 285 N HA 0.230 4.971 4.740 0.002 0.000 0.259 285 N C 0.355 175.808 175.510 -0.094 0.000 1.369 285 N CA 0.076 52.868 53.050 -0.431 0.000 0.867 285 N CB 0.424 38.704 38.487 -0.345 0.000 1.341 285 N HN 0.650 nan 8.380 nan 0.000 0.495 286 G N 0.162 109.019 108.800 0.095 0.000 2.557 286 G HA2 0.358 4.319 3.960 0.002 0.000 0.302 286 G HA3 0.358 4.319 3.960 0.002 0.000 0.302 286 G C 0.471 175.450 174.900 0.132 0.000 1.311 286 G CA -0.745 44.425 45.100 0.116 0.000 1.030 286 G HN 0.142 nan 8.290 nan 0.000 0.509 287 R N -1.343 119.134 120.500 -0.040 0.000 2.210 287 R HA 0.135 4.476 4.340 0.002 0.000 0.203 287 R C -0.162 175.708 176.300 -0.717 0.000 1.010 287 R CA 0.648 56.539 56.100 -0.347 0.000 1.008 287 R CB 0.171 30.140 30.300 -0.553 0.000 0.923 287 R HN 0.379 nan 8.270 nan 0.000 0.469 288 F N 0.794 120.664 119.950 -0.133 0.000 2.623 288 F HA 0.262 4.790 4.527 0.002 0.000 0.361 288 F C -0.744 174.900 175.800 -0.259 0.000 1.469 288 F CA -1.189 56.405 58.000 -0.677 0.000 1.126 288 F CB 0.597 39.046 39.000 -0.918 0.000 1.221 288 F HN -0.294 nan 8.300 nan 0.000 0.536 289 D N 1.696 122.209 120.400 0.188 0.000 2.339 289 D HA 0.193 4.834 4.640 0.002 0.000 0.241 289 D C 0.209 176.762 176.300 0.422 0.000 1.183 289 D CA 0.134 54.345 54.000 0.352 0.000 0.859 289 D CB 1.973 43.054 40.800 0.468 0.000 1.067 289 D HN -0.050 nan 8.370 nan 0.000 0.484 290 V N 3.929 124.070 119.914 0.379 0.000 2.540 290 V HA -0.037 4.084 4.120 0.002 0.000 0.297 290 V C 1.101 177.204 176.094 0.015 0.000 1.024 290 V CA -0.187 62.226 62.300 0.189 0.000 1.105 290 V CB 0.097 31.986 31.823 0.110 0.000 0.938 290 V HN 0.358 nan 8.190 nan 0.000 0.482 291 L N 8.293 129.425 121.223 -0.151 0.000 2.452 291 L HA 0.301 4.642 4.340 0.002 0.000 0.267 291 L C -1.619 174.974 176.870 -0.462 0.000 1.188 291 L CA -1.236 53.357 54.840 -0.412 0.000 0.821 291 L CB 0.710 42.571 42.059 -0.329 0.000 1.102 291 L HN 0.502 nan 8.230 nan 0.000 0.470 292 P HA 0.229 nan 4.420 nan 0.000 0.278 292 P C -1.110 176.001 177.300 -0.315 0.000 1.266 292 P CA -0.542 62.253 63.100 -0.509 0.000 0.807 292 P CB 0.833 32.079 31.700 -0.757 0.000 1.094 293 L N 0.675 121.805 121.223 -0.156 0.000 2.312 293 L HA 0.361 4.702 4.340 0.002 0.000 0.281 293 L C 0.484 177.301 176.870 -0.088 0.000 1.070 293 L CA -0.585 54.217 54.840 -0.064 0.000 0.805 293 L CB 0.315 42.413 42.059 0.066 0.000 1.174 293 L HN 0.189 nan 8.230 nan 0.000 0.434 294 L N 5.266 126.425 121.223 -0.106 0.000 2.277 294 L HA 0.486 4.828 4.340 0.002 0.000 0.284 294 L C -0.696 176.064 176.870 -0.184 0.000 1.028 294 L CA -0.212 54.482 54.840 -0.245 0.000 0.835 294 L CB 0.928 42.760 42.059 -0.378 0.000 1.215 294 L HN 0.467 nan 8.230 nan 0.000 0.425 295 L N 4.165 125.311 121.223 -0.128 0.000 2.346 295 L HA 0.536 4.877 4.340 0.002 0.000 0.276 295 L C -0.452 176.353 176.870 -0.109 0.000 1.006 295 L CA -0.474 54.339 54.840 -0.044 0.000 0.817 295 L CB 2.079 44.152 42.059 0.024 0.000 1.272 295 L HN 0.549 nan 8.230 nan 0.000 0.421 296 Q N 2.358 122.129 119.800 -0.048 0.000 2.310 296 Q HA 0.684 5.025 4.340 0.002 0.000 0.270 296 Q C -1.106 174.844 176.000 -0.084 0.000 1.025 296 Q CA -0.550 55.221 55.803 -0.053 0.000 0.772 296 Q CB 2.249 31.054 28.738 0.112 0.000 1.253 296 Q HN 0.790 nan 8.270 nan 0.000 0.450 297 A N 4.868 127.587 122.820 -0.168 0.000 2.286 297 A HA 0.627 4.949 4.320 0.002 0.000 0.286 297 A C -2.399 174.936 177.584 -0.414 0.000 1.097 297 A CA -1.575 50.208 52.037 -0.424 0.000 0.821 297 A CB 0.109 18.965 19.000 -0.241 0.000 1.076 297 A HN 0.618 nan 8.150 nan 0.000 0.490 298 P HA 0.027 nan 4.420 nan 0.000 0.258 298 P C -0.612 176.591 177.300 -0.161 0.000 1.172 298 P CA 0.896 63.791 63.100 -0.342 0.000 0.762 298 P CB 0.108 31.605 31.700 -0.339 0.000 0.764 299 D N 0.128 120.479 120.400 -0.081 0.000 2.911 299 D HA -0.171 4.471 4.640 0.002 0.000 0.227 299 D C 0.015 176.300 176.300 -0.024 0.000 1.164 299 D CA 1.277 55.259 54.000 -0.030 0.000 0.782 299 D CB -0.544 40.241 40.800 -0.025 0.000 1.094 299 D HN 0.466 nan 8.370 nan 0.000 0.425 300 E N -0.595 119.582 120.200 -0.039 0.000 2.299 300 E HA 0.665 5.016 4.350 0.002 0.000 0.265 300 E C 0.101 176.684 176.600 -0.028 0.000 0.911 300 E CA -0.740 55.639 56.400 -0.035 0.000 0.789 300 E CB 1.690 31.354 29.700 -0.059 0.000 1.246 300 E HN 0.139 nan 8.360 nan 0.000 0.427 301 A N 3.048 125.848 122.820 -0.034 0.000 2.483 301 A HA 0.303 4.624 4.320 0.002 0.000 0.238 301 A C -1.991 175.464 177.584 -0.216 0.000 1.070 301 A CA -0.732 51.264 52.037 -0.070 0.000 0.770 301 A CB -0.590 18.395 19.000 -0.025 0.000 1.008 301 A HN 0.263 nan 8.150 nan 0.000 0.497 302 P HA 0.244 nan 4.420 nan 0.000 0.272 302 P C -0.583 176.403 177.300 -0.524 0.000 1.230 302 P CA 0.017 62.720 63.100 -0.662 0.000 0.788 302 P CB 0.660 31.488 31.700 -1.453 0.000 0.949 303 E N 0.130 120.102 120.200 -0.379 0.000 2.256 303 E HA 0.487 4.838 4.350 0.002 0.000 0.267 303 E C -0.948 175.352 176.600 -0.501 0.000 0.892 303 E CA -1.042 55.123 56.400 -0.391 0.000 0.775 303 E CB 1.741 31.267 29.700 -0.289 0.000 1.207 303 E HN 0.242 nan 8.360 nan 0.000 0.420 304 L N 2.606 123.431 121.223 -0.664 0.000 2.307 304 L HA 0.493 4.834 4.340 0.002 0.000 0.282 304 L C -1.616 174.693 176.870 -0.935 0.000 1.051 304 L CA -0.021 54.479 54.840 -0.566 0.000 0.804 304 L CB 0.351 42.205 42.059 -0.341 0.000 1.197 304 L HN 0.416 nan 8.230 nan 0.000 0.431 305 F N 3.965 123.667 119.950 -0.413 0.000 2.557 305 F HA 0.463 4.991 4.527 0.002 0.000 0.316 305 F C -0.348 175.182 175.800 -0.450 0.000 1.141 305 F CA -0.915 56.689 58.000 -0.660 0.000 0.922 305 F CB 1.818 40.026 39.000 -1.320 0.000 1.194 305 F HN 0.017 nan 8.300 nan 0.000 0.443 306 V N 4.613 124.432 119.914 -0.157 0.000 2.461 306 V HA 0.219 4.340 4.120 0.002 0.000 0.275 306 V C 0.322 176.511 176.094 0.159 0.000 1.047 306 V CA -0.707 61.589 62.300 -0.007 0.000 0.955 306 V CB 1.171 33.039 31.823 0.075 0.000 0.988 306 V HN 0.549 nan 8.190 nan 0.000 0.471 307 L N 7.390 128.721 121.223 0.180 0.000 2.455 307 L HA 0.225 4.566 4.340 0.002 0.000 0.272 307 L C -2.029 174.949 176.870 0.181 0.000 1.174 307 L CA -1.391 53.594 54.840 0.242 0.000 0.869 307 L CB 0.460 42.592 42.059 0.122 0.000 1.130 307 L HN 0.458 nan 8.230 nan 0.000 0.474 308 P HA 0.069 nan 4.420 nan 0.000 0.267 308 P C -2.051 175.302 177.300 0.088 0.000 1.209 308 P CA -1.016 62.158 63.100 0.124 0.000 0.763 308 P CB 0.331 32.089 31.700 0.097 0.000 0.816 309 P HA -0.220 nan 4.420 nan 0.000 0.217 309 P C 1.384 178.719 177.300 0.058 0.000 1.148 309 P CA 1.311 64.457 63.100 0.077 0.000 0.828 309 P CB -0.161 31.587 31.700 0.080 0.000 0.783 310 E N 0.064 120.293 120.200 0.049 0.000 2.265 310 E HA -0.145 4.206 4.350 0.002 0.000 0.196 310 E C 1.778 178.395 176.600 0.029 0.000 0.996 310 E CA 1.046 57.467 56.400 0.035 0.000 0.832 310 E CB -1.171 28.546 29.700 0.028 0.000 0.756 310 E HN 0.318 nan 8.360 nan 0.000 0.491 311 L N 1.043 122.284 121.223 0.030 0.000 2.341 311 L HA 0.050 4.392 4.340 0.002 0.000 0.214 311 L C 0.759 177.647 176.870 0.030 0.000 1.115 311 L CA 0.169 55.022 54.840 0.021 0.000 0.820 311 L CB 0.345 42.407 42.059 0.006 0.000 0.944 311 L HN -0.090 nan 8.230 nan 0.000 0.452 312 V N 1.999 121.935 119.914 0.037 0.000 2.304 312 V HA 0.127 4.248 4.120 0.002 0.000 0.262 312 V C 0.061 176.189 176.094 0.057 0.000 1.061 312 V CA -0.480 61.844 62.300 0.041 0.000 0.872 312 V CB 1.040 32.882 31.823 0.032 0.000 1.077 312 V HN 0.043 nan 8.190 nan 0.000 0.480 313 L N 5.509 126.771 121.223 0.065 0.000 2.360 313 L HA 0.430 4.771 4.340 0.002 0.000 0.276 313 L C 0.204 177.115 176.870 0.068 0.000 1.121 313 L CA 0.851 55.722 54.840 0.051 0.000 0.845 313 L CB 0.490 42.574 42.059 0.042 0.000 1.143 313 L HN 0.648 nan 8.230 nan 0.000 0.452 314 E N 3.069 123.285 120.200 0.027 0.000 2.312 314 E HA 0.578 4.930 4.350 0.002 0.000 0.267 314 E C -1.511 175.031 176.600 -0.098 0.000 0.894 314 E CA -0.963 55.449 56.400 0.019 0.000 0.773 314 E CB 2.506 32.250 29.700 0.074 0.000 1.241 314 E HN 0.336 nan 8.360 nan 0.000 0.432 315 V N 3.430 123.245 119.914 -0.166 0.000 2.376 315 V HA 0.300 4.421 4.120 0.002 0.000 0.287 315 V C -2.284 173.734 176.094 -0.126 0.000 1.015 315 V CA -1.924 60.210 62.300 -0.277 0.000 0.834 315 V CB 1.234 32.601 31.823 -0.761 0.000 1.001 315 V HN 0.544 nan 8.190 nan 0.000 0.428 316 P HA 0.187 nan 4.420 nan 0.000 0.268 316 P C -0.766 176.539 177.300 0.008 0.000 1.205 316 P CA 0.014 63.085 63.100 -0.048 0.000 0.771 316 P CB 0.906 32.588 31.700 -0.030 0.000 0.858 317 L N 3.136 124.401 121.223 0.070 0.000 2.264 317 L HA 0.387 4.728 4.340 0.002 0.000 0.289 317 L C 1.161 178.193 176.870 0.269 0.000 1.044 317 L CA -0.351 54.599 54.840 0.183 0.000 0.807 317 L CB 0.557 42.786 42.059 0.283 0.000 1.192 317 L HN 0.487 nan 8.230 nan 0.000 0.425 318 E N 2.135 122.456 120.200 0.203 0.000 2.339 318 E HA 0.451 4.802 4.350 0.002 0.000 0.262 318 E C -1.157 175.456 176.600 0.021 0.000 0.934 318 E CA -0.928 55.596 56.400 0.207 0.000 0.802 318 E CB 2.214 32.014 29.700 0.166 0.000 1.275 318 E HN 0.457 nan 8.360 nan 0.000 0.427 319 H N 0.919 119.846 119.070 -0.239 0.000 2.469 319 H HA 0.221 4.778 4.556 0.002 0.000 0.342 319 H C -1.830 173.182 175.328 -0.527 0.000 1.115 319 H CA -2.388 53.357 56.048 -0.506 0.000 1.204 319 H CB 2.025 31.375 29.762 -0.687 0.000 1.492 319 H HN 0.413 nan 8.280 nan 0.000 0.499 320 P HA -0.141 nan 4.420 nan 0.000 0.216 320 P C 1.038 178.117 177.300 -0.368 0.000 1.150 320 P CA 1.909 64.447 63.100 -0.938 0.000 0.837 320 P CB 0.332 31.513 31.700 -0.866 0.000 0.786 321 T N -4.632 109.853 114.554 -0.115 0.000 2.964 321 T HA 0.207 4.558 4.350 0.002 0.000 0.249 321 T C 0.805 175.487 174.700 -0.030 0.000 1.000 321 T CA -0.180 61.912 62.100 -0.014 0.000 0.992 321 T CB -0.589 68.286 68.868 0.012 0.000 1.087 321 T HN -0.073 nan 8.240 nan 0.000 0.489 322 L N 3.365 124.562 121.223 -0.044 0.000 2.282 322 L HA 0.421 4.762 4.340 0.002 0.000 0.287 322 L C 1.271 177.827 176.870 -0.522 0.000 1.075 322 L CA -0.721 53.798 54.840 -0.536 0.000 0.839 322 L CB 1.099 42.463 42.059 -1.158 0.000 1.219 322 L HN 0.234 nan 8.230 nan 0.000 0.434 323 E N 3.100 123.104 120.200 -0.326 0.000 2.152 323 E HA -0.207 4.144 4.350 0.002 0.000 0.192 323 E C 1.674 178.247 176.600 -0.044 0.000 0.983 323 E CA 0.938 57.266 56.400 -0.121 0.000 0.818 323 E CB -0.232 29.464 29.700 -0.007 0.000 0.758 323 E HN 0.739 nan 8.360 nan 0.000 0.467 324 W N -0.043 121.312 121.300 0.091 0.000 2.525 324 W HA 0.042 4.703 4.660 0.002 0.000 0.259 324 W C 1.217 177.791 176.519 0.092 0.000 1.253 324 W CA -0.032 57.354 57.345 0.069 0.000 1.262 324 W CB -0.937 28.543 29.460 0.033 0.000 1.122 324 W HN -0.024 nan 8.180 nan 0.000 0.607 325 F N 2.981 122.776 119.950 -0.257 0.000 2.126 325 F HA -0.101 4.427 4.527 0.002 0.000 0.299 325 F C 2.705 178.538 175.800 0.056 0.000 1.096 325 F CA 2.769 60.697 58.000 -0.121 0.000 1.255 325 F CB -0.674 38.092 39.000 -0.389 0.000 0.997 325 F HN -0.086 nan 8.300 nan 0.000 0.479 326 A N -0.007 122.966 122.820 0.255 0.000 2.024 326 A HA -0.098 4.223 4.320 0.002 0.000 0.220 326 A C 2.231 179.882 177.584 0.112 0.000 1.164 326 A CA 1.594 53.742 52.037 0.185 0.000 0.643 326 A CB -1.400 17.680 19.000 0.132 0.000 0.806 326 A HN 0.433 nan 8.150 nan 0.000 0.451 327 A N -0.710 122.183 122.820 0.121 0.000 2.235 327 A HA 0.293 4.614 4.320 0.002 0.000 0.208 327 A C 1.775 179.397 177.584 0.063 0.000 1.172 327 A CA 0.493 52.588 52.037 0.097 0.000 0.786 327 A CB -0.484 18.590 19.000 0.123 0.000 0.804 327 A HN 0.469 nan 8.150 nan 0.000 0.479 328 L N -1.095 120.136 121.223 0.014 0.000 2.456 328 L HA -0.005 4.336 4.340 0.002 0.000 0.224 328 L C 1.899 178.782 176.870 0.023 0.000 1.148 328 L CA 0.723 55.541 54.840 -0.037 0.000 0.825 328 L CB -0.485 41.437 42.059 -0.228 0.000 0.937 328 L HN 0.573 nan 8.230 nan 0.000 0.450 329 G N 0.041 108.861 108.800 0.032 0.000 2.168 329 G HA2 -0.276 3.686 3.960 0.002 0.000 0.257 329 G HA3 -0.276 3.686 3.960 0.002 0.000 0.257 329 G C 0.072 174.968 174.900 -0.006 0.000 0.997 329 G CA -0.170 44.960 45.100 0.050 0.000 0.708 329 G HN 0.111 nan 8.290 nan 0.000 0.520 330 L N 0.627 121.820 121.223 -0.051 0.000 2.439 330 L HA 0.676 5.017 4.340 0.002 0.000 0.269 330 L C 1.124 177.765 176.870 -0.383 0.000 1.179 330 L CA 0.101 54.819 54.840 -0.205 0.000 0.828 330 L CB 0.693 42.746 42.059 -0.009 0.000 1.106 330 L HN 0.641 nan 8.230 nan 0.000 0.467 331 R N 2.052 122.086 120.500 -0.776 0.000 2.716 331 R HA 0.513 4.854 4.340 0.002 0.000 0.271 331 R C -1.779 174.491 176.300 -0.050 0.000 1.028 331 R CA -0.920 54.943 56.100 -0.395 0.000 0.883 331 R CB 1.626 31.669 30.300 -0.428 0.000 1.250 331 R HN 0.589 nan 8.270 nan 0.000 0.465 332 W N 1.680 122.950 121.300 -0.049 0.000 3.062 332 W HA 0.391 5.052 4.660 0.002 0.000 0.336 332 W C -1.167 175.437 176.519 0.143 0.000 1.224 332 W CA -1.029 56.379 57.345 0.106 0.000 1.159 332 W CB 2.149 31.590 29.460 -0.030 0.000 1.454 332 W HN 0.683 nan 8.180 nan 0.000 0.569 333 Y N 0.805 121.027 120.300 -0.130 0.000 2.307 333 Y HA 0.572 5.123 4.550 0.002 0.000 0.324 333 Y C 0.803 176.924 175.900 0.369 0.000 1.238 333 Y CA -0.072 58.035 58.100 0.012 0.000 1.280 333 Y CB 0.356 38.692 38.460 -0.208 0.000 1.248 333 Y HN 0.372 nan 8.280 nan 0.000 0.508 334 A N 2.405 125.474 122.820 0.415 0.000 1.930 334 A HA -0.023 4.299 4.320 0.002 0.000 0.217 334 A C 0.626 178.573 177.584 0.605 0.000 1.175 334 A CA 0.779 53.106 52.037 0.483 0.000 0.627 334 A CB -0.408 18.735 19.000 0.239 0.000 0.815 334 A HN 0.681 nan 8.150 nan 0.000 0.443 335 L N 1.823 123.361 121.223 0.525 0.000 2.264 335 L HA 0.414 4.755 4.340 0.002 0.000 0.287 335 L C -2.574 174.488 176.870 0.319 0.000 1.039 335 L CA -2.365 52.684 54.840 0.348 0.000 0.829 335 L CB 1.540 43.735 42.059 0.227 0.000 1.211 335 L HN -0.011 nan 8.230 nan 0.000 0.427 336 P HA 0.340 nan 4.420 nan 0.000 0.292 336 P C -1.407 175.821 177.300 -0.120 0.000 1.326 336 P CA -0.331 62.661 63.100 -0.180 0.000 0.787 336 P CB 1.358 32.538 31.700 -0.868 0.000 0.903 337 A N 4.432 127.191 122.820 -0.102 0.000 2.605 337 A HA 0.412 4.733 4.320 0.002 0.000 0.293 337 A C -0.350 177.026 177.584 -0.347 0.000 1.216 337 A CA -0.640 51.266 52.037 -0.219 0.000 0.742 337 A CB 0.734 19.638 19.000 -0.161 0.000 1.170 337 A HN 0.291 nan 8.150 nan 0.000 0.443 338 V N 2.798 122.324 119.914 -0.646 0.000 2.521 338 V HA 0.287 4.408 4.120 0.002 0.000 0.286 338 V C 1.250 176.943 176.094 -0.668 0.000 1.034 338 V CA 1.153 63.023 62.300 -0.716 0.000 1.045 338 V CB 1.116 32.315 31.823 -1.039 0.000 0.974 338 V HN 1.109 nan 8.190 nan 0.000 0.480 339 S N 1.780 117.298 115.700 -0.303 0.000 2.733 339 S HA 0.053 4.525 4.470 0.002 0.000 0.247 339 S C 0.769 175.359 174.600 -0.017 0.000 1.043 339 S CA 0.103 58.216 58.200 -0.145 0.000 1.066 339 S CB -0.377 62.770 63.200 -0.089 0.000 1.045 339 S HN 0.907 nan 8.310 nan 0.000 0.586 340 N N 0.368 119.063 118.700 -0.009 0.000 2.187 340 N HA 0.319 5.061 4.740 0.002 0.000 0.212 340 N C 0.109 175.681 175.510 0.103 0.000 1.152 340 N CA -0.510 52.574 53.050 0.057 0.000 0.872 340 N CB 0.160 38.679 38.487 0.052 0.000 1.025 340 N HN 0.268 nan 8.380 nan 0.000 0.514 341 M N 1.236 120.918 119.600 0.137 0.000 2.528 341 M HA 0.342 4.823 4.480 0.002 0.000 0.318 341 M C -0.735 175.719 176.300 0.257 0.000 1.195 341 M CA -0.925 54.504 55.300 0.215 0.000 1.000 341 M CB 2.527 35.291 32.600 0.273 0.000 1.615 341 M HN 0.094 nan 8.290 nan 0.000 0.469 342 L N 2.641 123.997 121.223 0.221 0.000 2.289 342 L HA 0.494 4.836 4.340 0.002 0.000 0.285 342 L C -1.273 175.719 176.870 0.203 0.000 1.049 342 L CA -0.856 54.097 54.840 0.188 0.000 0.804 342 L CB 1.079 43.196 42.059 0.097 0.000 1.195 342 L HN 0.574 nan 8.230 nan 0.000 0.428 343 L N 5.356 126.696 121.223 0.196 0.000 2.265 343 L HA 0.423 4.764 4.340 0.002 0.000 0.289 343 L C -0.435 176.449 176.870 0.023 0.000 1.033 343 L CA 0.241 55.078 54.840 -0.004 0.000 0.814 343 L CB 1.036 43.083 42.059 -0.020 0.000 1.203 343 L HN 0.610 nan 8.230 nan 0.000 0.423 344 E N 6.659 126.785 120.200 -0.124 0.000 2.133 344 E HA 0.370 4.721 4.350 0.002 0.000 0.274 344 E C -1.503 175.002 176.600 -0.158 0.000 0.930 344 E CA -0.373 55.971 56.400 -0.095 0.000 0.770 344 E CB 0.944 30.587 29.700 -0.094 0.000 1.104 344 E HN 0.722 nan 8.360 nan 0.000 0.403 345 I N 2.600 123.089 120.570 -0.134 0.000 2.478 345 I HA 0.268 4.439 4.170 0.002 0.000 0.287 345 I C 0.855 176.756 176.117 -0.360 0.000 1.042 345 I CA -0.652 60.437 61.300 -0.352 0.000 1.067 345 I CB 2.023 39.752 38.000 -0.452 0.000 1.233 345 I HN 0.786 nan 8.210 nan 0.000 0.431 346 G N 4.167 112.763 108.800 -0.339 0.000 2.321 346 G HA2 -0.141 3.820 3.960 0.002 0.000 0.287 346 G HA3 -0.141 3.820 3.960 0.002 0.000 0.287 346 G C 1.015 175.984 174.900 0.115 0.000 1.018 346 G CA 0.767 45.858 45.100 -0.014 0.000 0.855 346 G HN 1.552 nan 8.290 nan 0.000 0.507 347 G N -1.993 106.819 108.800 0.019 0.000 2.241 347 G HA2 -0.233 3.728 3.960 0.002 0.000 0.244 347 G HA3 -0.233 3.728 3.960 0.002 0.000 0.244 347 G C 0.538 175.401 174.900 -0.061 0.000 0.998 347 G CA 0.466 45.580 45.100 0.024 0.000 0.621 347 G HN 1.290 nan 8.290 nan 0.000 0.519 348 L N 0.807 121.940 121.223 -0.149 0.000 2.395 348 L HA 0.605 4.946 4.340 0.002 0.000 0.269 348 L C 0.323 176.965 176.870 -0.381 0.000 1.133 348 L CA -0.356 54.274 54.840 -0.351 0.000 0.812 348 L CB 0.980 42.719 42.059 -0.533 0.000 1.125 348 L HN 0.190 nan 8.230 nan 0.000 0.452 349 E N 2.199 122.089 120.200 -0.518 0.000 2.191 349 E HA 0.362 4.714 4.350 0.002 0.000 0.263 349 E C -1.540 174.749 176.600 -0.518 0.000 0.881 349 E CA -0.406 55.782 56.400 -0.353 0.000 0.757 349 E CB 1.754 31.344 29.700 -0.183 0.000 1.147 349 E HN 0.270 nan 8.360 nan 0.000 0.414 350 F N 2.009 121.931 119.950 -0.047 0.000 2.293 350 F HA 0.100 4.628 4.527 0.002 0.000 0.370 350 F C 1.557 177.396 175.800 0.065 0.000 1.090 350 F CA -0.494 57.506 58.000 0.000 0.000 1.133 350 F CB 1.081 40.064 39.000 -0.029 0.000 1.360 350 F HN 0.428 nan 8.300 nan 0.000 0.489 351 S N 1.296 117.100 115.700 0.173 0.000 2.447 351 S HA 0.161 4.632 4.470 0.002 0.000 0.233 351 S C 0.836 175.568 174.600 0.219 0.000 1.006 351 S CA 0.372 58.671 58.200 0.165 0.000 0.957 351 S CB 0.017 63.290 63.200 0.122 0.000 0.773 351 S HN 0.487 nan 8.310 nan 0.000 0.507 352 A N 0.479 123.475 122.820 0.293 0.000 2.340 352 A HA 0.839 5.160 4.320 0.002 0.000 0.297 352 A C -0.210 177.625 177.584 0.418 0.000 1.195 352 A CA -0.220 52.018 52.037 0.335 0.000 0.769 352 A CB 1.112 20.303 19.000 0.318 0.000 1.163 352 A HN 1.078 nan 8.150 nan 0.000 0.472 353 A N 4.197 127.221 122.820 0.340 0.000 3.200 353 A HA 0.616 4.937 4.320 0.002 0.000 0.274 353 A C -3.178 174.565 177.584 0.265 0.000 1.220 353 A CA -0.790 51.411 52.037 0.274 0.000 0.904 353 A CB 0.461 19.621 19.000 0.267 0.000 1.415 353 A HN 0.507 nan 8.150 nan 0.000 0.630 354 P HA 0.591 nan 4.420 nan 0.000 0.275 354 P C -0.789 176.537 177.300 0.043 0.000 1.228 354 P CA 0.098 63.178 63.100 -0.032 0.000 0.786 354 P CB 0.587 32.215 31.700 -0.120 0.000 0.927 355 F N -0.782 119.122 119.950 -0.077 0.000 2.599 355 F HA 0.777 5.305 4.527 0.002 0.000 0.311 355 F C -0.752 174.982 175.800 -0.110 0.000 1.076 355 F CA -1.160 56.798 58.000 -0.069 0.000 0.937 355 F CB 1.587 40.431 39.000 -0.262 0.000 1.282 355 F HN 0.403 nan 8.300 nan 0.000 0.460 356 S N 0.436 116.241 115.700 0.174 0.000 2.564 356 S HA 0.964 5.435 4.470 0.002 0.000 0.274 356 S C -0.735 173.841 174.600 -0.040 0.000 1.124 356 S CA -0.178 58.055 58.200 0.055 0.000 0.869 356 S CB 1.528 64.827 63.200 0.164 0.000 1.105 356 S HN 1.491 nan 8.310 nan 0.000 0.472 357 G N -0.009 108.724 108.800 -0.113 0.000 3.366 357 G HA2 0.735 4.696 3.960 0.002 0.000 0.179 357 G HA3 0.735 4.696 3.960 0.002 0.000 0.179 357 G C -1.508 173.406 174.900 0.023 0.000 1.143 357 G CA -0.380 44.594 45.100 -0.210 0.000 0.810 357 G HN 1.081 nan 8.290 nan 0.000 0.697 358 W N -1.514 119.801 121.300 0.026 0.000 2.975 358 W HA 0.824 5.485 4.660 0.002 0.000 0.342 358 W C -1.649 174.880 176.519 0.016 0.000 1.168 358 W CA -2.133 55.242 57.345 0.051 0.000 1.141 358 W CB 0.512 30.042 29.460 0.116 0.000 1.445 358 W HN 0.385 nan 8.180 nan 0.000 0.560 359 Y N 2.530 123.030 120.300 0.333 0.000 2.336 359 Y HA 0.278 4.829 4.550 0.002 0.000 0.331 359 Y C 0.854 176.830 175.900 0.125 0.000 1.211 359 Y CA -0.644 57.528 58.100 0.120 0.000 1.346 359 Y CB 1.260 39.688 38.460 -0.053 0.000 1.271 359 Y HN 0.417 nan 8.280 nan 0.000 0.538 360 M N 2.533 122.291 119.600 0.264 0.000 2.188 360 M HA 0.175 4.656 4.480 0.002 0.000 0.357 360 M C 1.024 177.346 176.300 0.036 0.000 1.204 360 M CA -0.193 55.195 55.300 0.147 0.000 1.095 360 M CB 1.033 33.696 32.600 0.105 0.000 1.604 360 M HN 0.854 nan 8.290 nan 0.000 0.464 361 S N 1.322 116.992 115.700 -0.049 0.000 2.400 361 S HA -0.171 4.300 4.470 0.002 0.000 0.232 361 S C 1.523 175.999 174.600 -0.207 0.000 1.025 361 S CA 1.962 60.047 58.200 -0.192 0.000 0.993 361 S CB -1.253 61.862 63.200 -0.141 0.000 0.808 361 S HN 0.923 nan 8.310 nan 0.000 0.478 362 T N 0.131 114.598 114.554 -0.146 0.000 2.962 362 T HA -0.014 4.337 4.350 0.002 0.000 0.270 362 T C 1.522 176.095 174.700 -0.211 0.000 1.088 362 T CA 1.159 63.128 62.100 -0.218 0.000 1.127 362 T CB -0.563 68.128 68.868 -0.294 0.000 0.883 362 T HN 0.594 nan 8.240 nan 0.000 0.493 363 E N 0.923 121.028 120.200 -0.160 0.000 2.077 363 E HA -0.045 4.306 4.350 0.002 0.000 0.193 363 E C 2.030 178.441 176.600 -0.315 0.000 0.989 363 E CA 1.421 57.746 56.400 -0.125 0.000 0.800 363 E CB -0.286 29.476 29.700 0.104 0.000 0.746 363 E HN 0.603 nan 8.360 nan 0.000 0.452 364 I N 0.132 120.379 120.570 -0.538 0.000 2.364 364 I HA -0.046 4.125 4.170 0.002 0.000 0.241 364 I C 2.597 178.380 176.117 -0.558 0.000 1.082 364 I CA 0.916 61.704 61.300 -0.854 0.000 1.401 364 I CB -0.520 36.813 38.000 -1.112 0.000 1.126 364 I HN 0.099 nan 8.210 nan 0.000 0.429 365 G N 0.179 108.750 108.800 -0.382 0.000 2.408 365 G HA2 -0.159 3.802 3.960 0.002 0.000 0.217 365 G HA3 -0.159 3.802 3.960 0.002 0.000 0.217 365 G C 1.613 176.410 174.900 -0.172 0.000 1.150 365 G CA 1.496 46.460 45.100 -0.226 0.000 0.776 365 G HN 0.299 nan 8.290 nan 0.000 0.542 366 T N -0.163 114.271 114.554 -0.199 0.000 2.980 366 T HA 0.108 4.459 4.350 0.002 0.000 0.239 366 T C 2.524 177.133 174.700 -0.150 0.000 1.011 366 T CA 0.222 62.225 62.100 -0.161 0.000 1.171 366 T CB 0.104 68.859 68.868 -0.188 0.000 0.873 366 T HN 0.014 nan 8.240 nan 0.000 0.431 367 R N 1.853 122.248 120.500 -0.174 0.000 2.052 367 R HA 0.084 4.425 4.340 0.002 0.000 0.226 367 R C 2.046 178.261 176.300 -0.143 0.000 1.145 367 R CA 1.209 57.221 56.100 -0.145 0.000 0.952 367 R CB -1.037 29.187 30.300 -0.126 0.000 0.847 367 R HN 0.361 nan 8.270 nan 0.000 0.431 368 D N 1.000 121.272 120.400 -0.212 0.000 2.097 368 D HA -0.097 4.544 4.640 0.002 0.000 0.195 368 D C 2.115 178.380 176.300 -0.058 0.000 0.989 368 D CA 1.103 54.988 54.000 -0.192 0.000 0.827 368 D CB -0.071 40.306 40.800 -0.703 0.000 0.966 368 D HN 0.149 nan 8.370 nan 0.000 0.456 369 L N -0.348 120.776 121.223 -0.166 0.000 2.307 369 L HA 0.020 4.361 4.340 0.002 0.000 0.211 369 L C 2.098 179.007 176.870 0.064 0.000 1.099 369 L CA 0.420 55.258 54.840 -0.003 0.000 0.816 369 L CB 0.218 42.241 42.059 -0.061 0.000 0.952 369 L HN 0.074 nan 8.230 nan 0.000 0.455 370 C N -1.722 117.575 119.300 -0.005 0.000 2.935 370 C HA 0.154 4.615 4.460 0.002 0.000 0.308 370 C C 0.734 175.720 174.990 -0.007 0.000 1.263 370 C CA -0.931 58.095 59.018 0.013 0.000 1.738 370 C CB -0.235 27.500 27.740 -0.008 0.000 2.237 370 C HN 0.315 nan 8.230 nan 0.000 0.600 371 D N 2.956 123.320 120.400 -0.060 0.000 2.571 371 D HA 0.000 4.641 4.640 0.002 0.000 0.231 371 D C -1.185 175.083 176.300 -0.053 0.000 1.133 371 D CA -0.854 53.085 54.000 -0.102 0.000 0.862 371 D CB 0.495 41.092 40.800 -0.339 0.000 1.179 371 D HN 0.222 nan 8.370 nan 0.000 0.474 372 P HA -0.140 nan 4.420 nan 0.000 0.221 372 P C 0.717 178.088 177.300 0.119 0.000 1.150 372 P CA 1.259 64.422 63.100 0.105 0.000 0.800 372 P CB -0.003 31.779 31.700 0.137 0.000 0.787 373 H N -2.190 116.893 119.070 0.022 0.000 2.519 373 H HA 0.356 4.913 4.556 0.002 0.000 0.289 373 H C 0.896 176.232 175.328 0.013 0.000 1.040 373 H CA -0.294 55.763 56.048 0.015 0.000 1.165 373 H CB -0.002 29.768 29.762 0.014 0.000 1.462 373 H HN -0.035 nan 8.280 nan 0.000 0.555 374 R N -0.163 120.195 120.500 -0.237 0.000 2.769 374 R HA 0.180 4.521 4.340 0.002 0.000 0.117 374 R C 1.145 177.394 176.300 -0.085 0.000 1.152 374 R CA -0.697 55.310 56.100 -0.154 0.000 0.887 374 R CB -0.813 29.419 30.300 -0.114 0.000 1.099 374 R HN 0.102 nan 8.270 nan 0.000 0.398 375 Y N 1.654 121.975 120.300 0.035 0.000 2.352 375 Y HA -0.064 4.487 4.550 0.002 0.000 0.292 375 Y C 0.849 176.779 175.900 0.050 0.000 1.136 375 Y CA 1.493 59.635 58.100 0.069 0.000 1.227 375 Y CB -0.129 38.417 38.460 0.145 0.000 0.991 375 Y HN 0.561 nan 8.280 nan 0.000 0.545 376 N N 0.829 119.623 118.700 0.156 0.000 2.714 376 N HA -0.224 4.517 4.740 0.002 0.000 0.253 376 N C 0.520 176.112 175.510 0.137 0.000 1.024 376 N CA 0.373 53.490 53.050 0.112 0.000 0.726 376 N CB -1.069 37.465 38.487 0.078 0.000 0.908 376 N HN 0.637 nan 8.380 nan 0.000 0.542 377 I N -3.404 117.259 120.570 0.156 0.000 3.728 377 I HA -0.006 4.165 4.170 0.002 0.000 0.307 377 I C 1.877 178.086 176.117 0.153 0.000 1.276 377 I CA -0.342 61.046 61.300 0.147 0.000 1.285 377 I CB -0.058 38.030 38.000 0.147 0.000 1.038 377 I HN 0.082 nan 8.210 nan 0.000 0.445 378 L N 1.779 123.107 121.223 0.175 0.000 2.010 378 L HA -0.272 4.070 4.340 0.002 0.000 0.219 378 L C 2.619 179.686 176.870 0.328 0.000 1.077 378 L CA 2.071 57.056 54.840 0.242 0.000 0.773 378 L CB -1.146 41.048 42.059 0.225 0.000 0.892 378 L HN 0.460 nan 8.230 nan 0.000 0.436 379 E N -1.095 119.286 120.200 0.302 0.000 2.077 379 E HA -0.229 4.122 4.350 0.002 0.000 0.193 379 E C 1.759 178.369 176.600 0.016 0.000 0.989 379 E CA 1.228 57.712 56.400 0.141 0.000 0.800 379 E CB 0.076 29.807 29.700 0.050 0.000 0.746 379 E HN 0.514 nan 8.360 nan 0.000 0.452 380 D N -0.111 120.313 120.400 0.039 0.000 2.104 380 D HA -0.153 4.489 4.640 0.002 0.000 0.194 380 D C 2.050 178.335 176.300 -0.025 0.000 0.994 380 D CA 0.971 54.964 54.000 -0.012 0.000 0.830 380 D CB -0.288 40.518 40.800 0.009 0.000 0.959 380 D HN 0.076 nan 8.370 nan 0.000 0.452 381 V N 1.475 121.430 119.914 0.068 0.000 2.295 381 V HA -0.244 3.877 4.120 0.002 0.000 0.246 381 V C 2.556 178.720 176.094 0.117 0.000 1.049 381 V CA 1.859 64.248 62.300 0.148 0.000 1.024 381 V CB -0.891 31.102 31.823 0.282 0.000 0.648 381 V HN 0.189 nan 8.190 nan 0.000 0.447 382 A N -0.291 122.614 122.820 0.142 0.000 1.940 382 A HA -0.175 4.146 4.320 0.002 0.000 0.219 382 A C 2.390 179.940 177.584 -0.056 0.000 1.176 382 A CA 2.191 54.301 52.037 0.121 0.000 0.631 382 A CB -0.688 18.458 19.000 0.244 0.000 0.814 382 A HN 0.351 nan 8.150 nan 0.000 0.446 383 V N -1.071 118.757 119.914 -0.143 0.000 2.358 383 V HA -0.287 3.834 4.120 0.002 0.000 0.246 383 V C 2.615 178.544 176.094 -0.274 0.000 1.047 383 V CA 1.901 64.079 62.300 -0.204 0.000 1.035 383 V CB -1.011 30.691 31.823 -0.200 0.000 0.658 383 V HN 0.711 nan 8.190 nan 0.000 0.452 384 C N -0.270 118.794 119.300 -0.393 0.000 2.413 384 C HA -0.183 4.278 4.460 0.002 0.000 0.277 384 C C 2.659 177.185 174.990 -0.773 0.000 1.265 384 C CA 1.167 59.688 59.018 -0.829 0.000 1.752 384 C CB -1.012 25.905 27.740 -1.371 0.000 1.998 384 C HN 0.530 nan 8.230 nan 0.000 0.489 385 M N -0.041 119.392 119.600 -0.279 0.000 2.618 385 M HA 0.014 4.495 4.480 0.002 0.000 0.240 385 M C 0.692 176.986 176.300 -0.009 0.000 1.123 385 M CA 0.863 56.190 55.300 0.046 0.000 1.060 385 M CB -0.325 32.397 32.600 0.204 0.000 1.535 385 M HN 0.244 nan 8.290 nan 0.000 0.507 386 D N 1.250 121.587 120.400 -0.104 0.000 2.870 386 D HA -0.157 4.484 4.640 0.002 0.000 0.228 386 D C -0.756 175.520 176.300 -0.041 0.000 1.147 386 D CA 0.533 54.483 54.000 -0.083 0.000 0.757 386 D CB -1.067 39.695 40.800 -0.064 0.000 1.091 386 D HN 0.312 nan 8.370 nan 0.000 0.429 387 L N -0.079 121.129 121.223 -0.025 0.000 2.439 387 L HA 0.286 4.627 4.340 0.002 0.000 0.261 387 L C 1.026 177.861 176.870 -0.058 0.000 1.153 387 L CA -0.579 54.271 54.840 0.016 0.000 0.808 387 L CB 0.444 42.574 42.059 0.119 0.000 1.126 387 L HN -0.016 nan 8.230 nan 0.000 0.460 388 D N 0.442 120.832 120.400 -0.016 0.000 2.359 388 D HA 0.035 4.676 4.640 0.002 0.000 0.250 388 D C 0.593 176.781 176.300 -0.185 0.000 1.264 388 D CA 0.108 54.069 54.000 -0.065 0.000 0.911 388 D CB 0.919 41.724 40.800 0.009 0.000 1.056 388 D HN 0.434 nan 8.370 nan 0.000 0.499 389 T N 3.697 117.985 114.554 -0.444 0.000 3.129 389 T HA 0.036 4.387 4.350 0.002 0.000 0.251 389 T C 1.611 176.049 174.700 -0.436 0.000 1.117 389 T CA 0.124 61.643 62.100 -0.968 0.000 1.034 389 T CB 0.144 68.378 68.868 -1.057 0.000 0.968 389 T HN 0.376 nan 8.240 nan 0.000 0.526 390 R N 0.974 121.370 120.500 -0.174 0.000 2.299 390 R HA 0.126 4.467 4.340 0.002 0.000 0.197 390 R C 0.813 177.143 176.300 0.050 0.000 0.971 390 R CA 0.451 56.518 56.100 -0.055 0.000 1.030 390 R CB 0.162 30.435 30.300 -0.045 0.000 0.932 390 R HN 0.140 nan 8.270 nan 0.000 0.477 391 T N -0.828 113.809 114.554 0.139 0.000 3.041 391 T HA 0.079 4.430 4.350 0.002 0.000 0.321 391 T C 0.880 175.766 174.700 0.310 0.000 1.184 391 T CA -0.575 61.634 62.100 0.181 0.000 1.050 391 T CB 1.845 70.779 68.868 0.110 0.000 1.159 391 T HN 0.160 nan 8.240 nan 0.000 0.469 392 T N 0.628 115.312 114.554 0.217 0.000 2.995 392 T HA -0.033 4.318 4.350 0.002 0.000 0.269 392 T C 2.031 176.765 174.700 0.056 0.000 1.091 392 T CA 1.461 63.633 62.100 0.120 0.000 1.128 392 T CB -0.433 68.454 68.868 0.033 0.000 0.891 392 T HN 0.704 nan 8.240 nan 0.000 0.492 393 S N 1.839 117.588 115.700 0.081 0.000 2.561 393 S HA -0.006 4.465 4.470 0.002 0.000 0.225 393 S C 2.080 176.720 174.600 0.067 0.000 0.977 393 S CA 0.579 58.809 58.200 0.051 0.000 0.926 393 S CB -0.725 62.501 63.200 0.043 0.000 0.769 393 S HN 0.702 nan 8.310 nan 0.000 0.533 394 S N 1.764 117.538 115.700 0.123 0.000 2.555 394 S HA 0.180 4.651 4.470 0.002 0.000 0.230 394 S C 1.008 175.680 174.600 0.120 0.000 0.978 394 S CA 0.295 58.579 58.200 0.139 0.000 0.934 394 S CB -1.061 62.262 63.200 0.205 0.000 0.766 394 S HN 0.658 nan 8.310 nan 0.000 0.533 395 L N 0.599 121.849 121.223 0.045 0.000 3.843 395 L HA -0.186 4.155 4.340 0.002 0.000 0.411 395 L C 1.689 178.540 176.870 -0.031 0.000 1.205 395 L CA 0.758 55.565 54.840 -0.055 0.000 0.945 395 L CB -2.509 39.535 42.059 -0.023 0.000 1.929 395 L HN 0.754 nan 8.230 nan 0.000 0.934 396 W N 0.020 121.332 121.300 0.019 0.000 2.350 396 W HA -0.173 4.488 4.660 0.001 0.000 0.289 396 W C 1.741 178.277 176.519 0.029 0.000 1.215 396 W CA 1.332 58.691 57.345 0.024 0.000 1.236 396 W CB -0.673 28.797 29.460 0.018 0.000 1.130 396 W HN 0.281 nan 8.180 nan 0.000 0.541 397 K N 1.123 121.044 120.400 -0.798 0.000 2.026 397 K HA -0.173 4.149 4.320 0.002 0.000 0.208 397 K C 1.575 178.031 176.600 -0.240 0.000 1.048 397 K CA 2.463 58.340 56.287 -0.683 0.000 0.929 397 K CB -0.389 31.568 32.500 -0.906 0.000 0.713 397 K HN 0.044 nan 8.250 nan 0.000 0.439 398 D N 0.558 120.836 120.400 -0.203 0.000 2.117 398 D HA -0.136 4.505 4.640 0.002 0.000 0.197 398 D C 1.692 177.981 176.300 -0.019 0.000 0.987 398 D CA 1.261 55.204 54.000 -0.095 0.000 0.829 398 D CB 0.027 40.778 40.800 -0.082 0.000 0.961 398 D HN 0.120 nan 8.370 nan 0.000 0.460 399 K N 0.445 120.857 120.400 0.020 0.000 2.026 399 K HA -0.022 4.299 4.320 0.002 0.000 0.208 399 K C 2.238 178.901 176.600 0.105 0.000 1.048 399 K CA 1.136 57.467 56.287 0.073 0.000 0.929 399 K CB -0.178 32.387 32.500 0.108 0.000 0.713 399 K HN 0.090 nan 8.250 nan 0.000 0.439 400 A N 1.508 124.415 122.820 0.144 0.000 1.902 400 A HA -0.132 4.189 4.320 0.002 0.000 0.217 400 A C 2.366 180.036 177.584 0.142 0.000 1.181 400 A CA 1.894 54.044 52.037 0.188 0.000 0.623 400 A CB -0.715 18.443 19.000 0.264 0.000 0.818 400 A HN 0.347 nan 8.150 nan 0.000 0.443 401 A N -0.586 122.278 122.820 0.073 0.000 1.933 401 A HA 0.001 4.322 4.320 0.002 0.000 0.218 401 A C 2.228 179.829 177.584 0.029 0.000 1.175 401 A CA 1.754 53.812 52.037 0.034 0.000 0.628 401 A CB -0.922 18.061 19.000 -0.028 0.000 0.814 401 A HN 0.381 nan 8.150 nan 0.000 0.444 402 V N 0.358 120.294 119.914 0.037 0.000 2.287 402 V HA -0.228 3.894 4.120 0.002 0.000 0.248 402 V C 2.583 178.714 176.094 0.062 0.000 1.053 402 V CA 2.215 64.543 62.300 0.046 0.000 1.027 402 V CB -0.694 31.161 31.823 0.054 0.000 0.646 402 V HN 0.519 nan 8.190 nan 0.000 0.447 403 E N -0.135 120.118 120.200 0.089 0.000 2.106 403 E HA -0.128 4.223 4.350 0.002 0.000 0.192 403 E C 2.105 178.739 176.600 0.056 0.000 0.984 403 E CA 1.167 57.633 56.400 0.111 0.000 0.806 403 E CB -0.331 29.404 29.700 0.057 0.000 0.750 403 E HN 0.596 nan 8.360 nan 0.000 0.458 404 I N 1.370 121.999 120.570 0.098 0.000 2.179 404 I HA -0.304 3.867 4.170 0.002 0.000 0.242 404 I C 1.797 177.908 176.117 -0.011 0.000 1.088 404 I CA 1.197 62.558 61.300 0.102 0.000 1.357 404 I CB -0.364 37.752 38.000 0.192 0.000 1.051 404 I HN 0.047 nan 8.210 nan 0.000 0.409 405 N N 0.611 119.300 118.700 -0.018 0.000 2.149 405 N HA -0.208 4.533 4.740 0.002 0.000 0.188 405 N C 1.683 177.163 175.510 -0.051 0.000 1.019 405 N CA 1.036 54.056 53.050 -0.050 0.000 0.857 405 N CB -0.269 38.196 38.487 -0.036 0.000 0.997 405 N HN 0.168 nan 8.380 nan 0.000 0.426 406 L N 0.745 121.940 121.223 -0.047 0.000 2.017 406 L HA -0.034 4.307 4.340 0.002 0.000 0.208 406 L C 2.039 178.801 176.870 -0.181 0.000 1.073 406 L CA 1.520 56.300 54.840 -0.101 0.000 0.745 406 L CB -0.935 41.052 42.059 -0.120 0.000 0.894 406 L HN 0.176 nan 8.230 nan 0.000 0.432 407 A N -1.237 121.432 122.820 -0.252 0.000 1.908 407 A HA -0.180 4.141 4.320 0.002 0.000 0.218 407 A C 2.281 179.810 177.584 -0.093 0.000 1.181 407 A CA 2.119 53.959 52.037 -0.328 0.000 0.627 407 A CB -1.135 17.378 19.000 -0.811 0.000 0.818 407 A HN 0.315 nan 8.150 nan 0.000 0.445 408 V N -0.087 119.790 119.914 -0.062 0.000 2.295 408 V HA -0.263 3.858 4.120 0.002 0.000 0.246 408 V C 2.578 178.689 176.094 0.028 0.000 1.049 408 V CA 1.986 64.284 62.300 -0.003 0.000 1.024 408 V CB -0.763 30.968 31.823 -0.152 0.000 0.648 408 V HN 0.577 nan 8.190 nan 0.000 0.447 409 L N -0.485 120.718 121.223 -0.033 0.000 1.989 409 L HA -0.266 4.075 4.340 0.002 0.000 0.211 409 L C 2.641 179.541 176.870 0.051 0.000 1.071 409 L CA 2.390 57.226 54.840 -0.007 0.000 0.749 409 L CB -0.821 41.229 42.059 -0.015 0.000 0.890 409 L HN 0.500 nan 8.230 nan 0.000 0.431 410 H N -0.541 118.488 119.070 -0.069 0.000 2.352 410 H HA -0.160 4.397 4.556 0.002 0.000 0.299 410 H C 2.309 177.626 175.328 -0.019 0.000 1.097 410 H CA 2.069 58.068 56.048 -0.082 0.000 1.311 410 H CB 0.026 29.675 29.762 -0.189 0.000 1.377 410 H HN 0.182 nan 8.280 nan 0.000 0.504 411 S N -0.475 115.200 115.700 -0.041 0.000 2.368 411 S HA -0.079 4.392 4.470 0.002 0.000 0.224 411 S C 1.854 176.438 174.600 -0.028 0.000 1.029 411 S CA 1.090 59.252 58.200 -0.064 0.000 0.988 411 S CB -0.377 62.873 63.200 0.084 0.000 0.838 411 S HN 0.320 nan 8.310 nan 0.000 0.462 412 F N 2.041 121.934 119.950 -0.094 0.000 2.146 412 F HA -0.072 4.456 4.527 0.002 0.000 0.298 412 F C 2.654 178.401 175.800 -0.089 0.000 1.096 412 F CA 1.021 58.986 58.000 -0.059 0.000 1.275 412 F CB -0.723 38.267 39.000 -0.017 0.000 1.008 412 F HN 0.191 nan 8.300 nan 0.000 0.480 413 Q N -0.515 119.325 119.800 0.066 0.000 2.124 413 Q HA -0.215 4.126 4.340 0.002 0.000 0.202 413 Q C 2.210 178.150 176.000 -0.100 0.000 0.977 413 Q CA 1.429 57.216 55.803 -0.025 0.000 0.850 413 Q CB -0.450 28.266 28.738 -0.037 0.000 0.901 413 Q HN 0.331 nan 8.270 nan 0.000 0.429 414 L N 0.127 121.230 121.223 -0.200 0.000 2.056 414 L HA -0.062 4.279 4.340 0.002 0.000 0.207 414 L C 1.895 178.679 176.870 -0.145 0.000 1.078 414 L CA 1.781 56.489 54.840 -0.220 0.000 0.749 414 L CB -0.456 41.380 42.059 -0.372 0.000 0.901 414 L HN 0.109 nan 8.230 nan 0.000 0.433 415 A N -1.461 121.272 122.820 -0.145 0.000 2.238 415 A HA 0.018 4.340 4.320 0.002 0.000 0.208 415 A C 0.702 178.225 177.584 -0.101 0.000 1.177 415 A CA 0.050 52.007 52.037 -0.134 0.000 0.804 415 A CB -0.359 18.523 19.000 -0.198 0.000 0.823 415 A HN 0.378 nan 8.150 nan 0.000 0.482 416 K N -1.031 119.323 120.400 -0.077 0.000 3.096 416 K HA -0.130 4.191 4.320 0.002 0.000 0.266 416 K C -0.628 175.949 176.600 -0.037 0.000 1.043 416 K CA 0.775 57.030 56.287 -0.053 0.000 0.758 416 K CB -2.641 29.827 32.500 -0.053 0.000 1.260 416 K HN 0.296 nan 8.250 nan 0.000 0.481 417 V N 1.100 121.009 119.914 -0.009 0.000 2.417 417 V HA 0.181 4.302 4.120 0.002 0.000 0.291 417 V C 0.807 176.993 176.094 0.154 0.000 1.024 417 V CA -0.718 61.614 62.300 0.055 0.000 0.861 417 V CB 2.016 33.833 31.823 -0.011 0.000 0.985 417 V HN 0.290 nan 8.190 nan 0.000 0.436 418 T N 6.400 120.996 114.554 0.070 0.000 2.905 418 T HA 0.358 4.709 4.350 0.002 0.000 0.299 418 T C -0.257 174.498 174.700 0.092 0.000 1.024 418 T CA 0.968 63.027 62.100 -0.068 0.000 1.151 418 T CB -0.027 68.653 68.868 -0.313 0.000 0.987 418 T HN 0.558 nan 8.240 nan 0.000 0.535 419 I N 2.632 123.199 120.570 -0.005 0.000 2.908 419 I HA 0.604 4.775 4.170 0.002 0.000 0.300 419 I C -1.465 174.678 176.117 0.045 0.000 1.385 419 I CA -0.939 60.404 61.300 0.070 0.000 1.004 419 I CB 1.922 39.895 38.000 -0.045 0.000 1.309 419 I HN 0.438 nan 8.210 nan 0.000 0.449 420 V N 5.381 125.390 119.914 0.157 0.000 2.604 420 V HA 0.514 4.635 4.120 0.002 0.000 0.305 420 V C -1.052 175.096 176.094 0.091 0.000 1.043 420 V CA -0.258 62.128 62.300 0.143 0.000 0.888 420 V CB 2.165 34.159 31.823 0.285 0.000 0.995 420 V HN 0.879 nan 8.190 nan 0.000 0.429 421 D N 3.796 124.226 120.400 0.051 0.000 2.354 421 D HA 0.189 4.830 4.640 0.002 0.000 0.247 421 D C 1.204 177.500 176.300 -0.007 0.000 1.138 421 D CA 0.156 54.170 54.000 0.024 0.000 0.958 421 D CB 0.466 41.255 40.800 -0.019 0.000 1.144 421 D HN 0.726 nan 8.370 nan 0.000 0.458 422 H N -0.408 118.589 119.070 -0.122 0.000 2.495 422 H HA -0.097 4.460 4.556 0.002 0.000 0.287 422 H C 0.925 176.130 175.328 -0.204 0.000 1.033 422 H CA 1.125 57.063 56.048 -0.184 0.000 1.307 422 H CB -0.494 29.108 29.762 -0.266 0.000 1.401 422 H HN 0.509 nan 8.280 nan 0.000 0.555 423 H N 1.246 120.098 119.070 -0.364 0.000 2.333 423 H HA 0.139 4.696 4.556 0.002 0.000 0.302 423 H C 2.522 177.823 175.328 -0.046 0.000 1.075 423 H CA 1.292 57.231 56.048 -0.181 0.000 1.348 423 H CB -0.316 29.313 29.762 -0.222 0.000 1.393 423 H HN 0.492 nan 8.280 nan 0.000 0.509 424 A N 1.538 124.401 122.820 0.072 0.000 1.902 424 A HA -0.108 4.213 4.320 0.002 0.000 0.217 424 A C 2.703 180.353 177.584 0.109 0.000 1.181 424 A CA 1.890 53.978 52.037 0.084 0.000 0.623 424 A CB -0.870 18.172 19.000 0.071 0.000 0.818 424 A HN 0.436 nan 8.150 nan 0.000 0.443 425 A N -0.301 122.583 122.820 0.107 0.000 1.902 425 A HA -0.108 4.214 4.320 0.002 0.000 0.217 425 A C 2.443 180.121 177.584 0.156 0.000 1.181 425 A CA 2.587 54.708 52.037 0.139 0.000 0.623 425 A CB -1.385 17.688 19.000 0.121 0.000 0.818 425 A HN 0.763 nan 8.150 nan 0.000 0.443 426 T N -2.781 111.848 114.554 0.125 0.000 2.904 426 T HA -0.057 4.294 4.350 0.002 0.000 0.267 426 T C 1.690 176.514 174.700 0.206 0.000 1.059 426 T CA 1.280 63.479 62.100 0.164 0.000 1.137 426 T CB -0.688 68.245 68.868 0.108 0.000 0.879 426 T HN 0.049 nan 8.240 nan 0.000 0.467 427 V N 2.814 122.824 119.914 0.160 0.000 2.343 427 V HA -0.177 3.944 4.120 0.002 0.000 0.247 427 V C 3.222 179.403 176.094 0.144 0.000 1.051 427 V CA 2.151 64.535 62.300 0.140 0.000 1.036 427 V CB -0.964 30.924 31.823 0.109 0.000 0.654 427 V HN 0.797 nan 8.190 nan 0.000 0.451 428 S N -0.408 115.388 115.700 0.160 0.000 2.402 428 S HA -0.199 4.272 4.470 0.002 0.000 0.229 428 S C 1.974 176.694 174.600 0.199 0.000 1.021 428 S CA 1.392 59.687 58.200 0.159 0.000 0.974 428 S CB -0.680 62.617 63.200 0.162 0.000 0.800 428 S HN 0.499 nan 8.310 nan 0.000 0.484 429 F N 2.352 122.363 119.950 0.101 0.000 2.134 429 F HA 0.055 4.583 4.527 0.002 0.000 0.299 429 F C 2.309 178.195 175.800 0.144 0.000 1.097 429 F CA 1.377 59.449 58.000 0.121 0.000 1.264 429 F CB -0.342 38.709 39.000 0.085 0.000 1.001 429 F HN 0.111 nan 8.300 nan 0.000 0.479 430 M N 0.105 119.775 119.600 0.116 0.000 2.108 430 M HA -0.210 4.271 4.480 0.002 0.000 0.261 430 M C 2.195 178.470 176.300 -0.043 0.000 1.066 430 M CA 1.603 56.916 55.300 0.022 0.000 1.107 430 M CB -1.271 31.390 32.600 0.100 0.000 1.356 430 M HN 0.084 nan 8.290 nan 0.000 0.406 431 K N -0.225 120.179 120.400 0.008 0.000 2.057 431 K HA -0.202 4.119 4.320 0.002 0.000 0.207 431 K C 1.952 178.533 176.600 -0.032 0.000 1.049 431 K CA 1.770 58.059 56.287 0.002 0.000 0.931 431 K CB -0.625 31.901 32.500 0.043 0.000 0.714 431 K HN 0.398 nan 8.250 nan 0.000 0.440 432 H N 0.055 119.036 119.070 -0.148 0.000 2.352 432 H HA -0.029 4.528 4.556 0.002 0.000 0.299 432 H C 1.700 176.863 175.328 -0.276 0.000 1.097 432 H CA 2.249 58.179 56.048 -0.197 0.000 1.311 432 H CB -0.191 29.429 29.762 -0.237 0.000 1.377 432 H HN 0.175 nan 8.280 nan 0.000 0.504 433 L N -0.242 120.686 121.223 -0.492 0.000 2.042 433 L HA -0.185 4.156 4.340 0.002 0.000 0.210 433 L C 2.335 179.046 176.870 -0.265 0.000 1.076 433 L CA 1.862 56.445 54.840 -0.428 0.000 0.749 433 L CB -0.511 41.354 42.059 -0.324 0.000 0.893 433 L HN 0.402 nan 8.230 nan 0.000 0.432 434 D N -0.075 120.216 120.400 -0.182 0.000 2.097 434 D HA -0.195 4.446 4.640 0.002 0.000 0.195 434 D C 1.932 178.158 176.300 -0.124 0.000 0.989 434 D CA 1.244 55.174 54.000 -0.117 0.000 0.827 434 D CB 0.077 40.836 40.800 -0.070 0.000 0.966 434 D HN 0.135 nan 8.370 nan 0.000 0.456 435 N N 0.426 119.043 118.700 -0.138 0.000 2.061 435 N HA -0.143 4.598 4.740 0.002 0.000 0.193 435 N C 1.600 177.026 175.510 -0.140 0.000 1.030 435 N CA 0.952 53.938 53.050 -0.105 0.000 0.856 435 N CB -0.256 38.194 38.487 -0.062 0.000 1.023 435 N HN 0.345 nan 8.380 nan 0.000 0.424 436 E N 0.401 120.435 120.200 -0.276 0.000 2.152 436 E HA -0.126 4.226 4.350 0.002 0.000 0.192 436 E C 1.866 178.369 176.600 -0.162 0.000 0.983 436 E CA 0.409 56.650 56.400 -0.265 0.000 0.818 436 E CB -0.104 29.325 29.700 -0.453 0.000 0.758 436 E HN 0.334 nan 8.360 nan 0.000 0.467 437 Q N 1.644 121.356 119.800 -0.147 0.000 2.061 437 Q HA -0.147 4.194 4.340 0.002 0.000 0.204 437 Q C 1.825 177.782 176.000 -0.071 0.000 0.984 437 Q CA 1.821 57.569 55.803 -0.092 0.000 0.846 437 Q CB 0.015 28.704 28.738 -0.082 0.000 0.902 437 Q HN 0.121 nan 8.270 nan 0.000 0.421 438 K N -0.802 119.558 120.400 -0.067 0.000 2.057 438 K HA -0.000 4.321 4.320 0.002 0.000 0.206 438 K C 2.022 178.597 176.600 -0.042 0.000 1.050 438 K CA 1.067 57.325 56.287 -0.048 0.000 0.935 438 K CB -0.180 32.297 32.500 -0.039 0.000 0.715 438 K HN 0.247 nan 8.250 nan 0.000 0.439 439 A N 1.048 123.842 122.820 -0.043 0.000 1.930 439 A HA -0.034 4.287 4.320 0.002 0.000 0.215 439 A C 1.811 179.376 177.584 -0.032 0.000 1.176 439 A CA 1.084 53.107 52.037 -0.023 0.000 0.632 439 A CB 0.056 19.058 19.000 0.004 0.000 0.819 439 A HN 0.139 nan 8.150 nan 0.000 0.445 440 R N -3.014 117.454 120.500 -0.053 0.000 2.555 440 R HA 0.225 4.566 4.340 0.002 0.000 0.312 440 R C 0.888 177.159 176.300 -0.049 0.000 0.938 440 R CA 0.609 56.681 56.100 -0.048 0.000 1.112 440 R CB 0.798 31.061 30.300 -0.061 0.000 1.535 440 R HN 0.706 nan 8.270 nan 0.000 0.525 441 G N 0.868 109.633 108.800 -0.058 0.000 2.136 441 G HA2 -0.206 3.756 3.960 0.002 0.000 0.242 441 G HA3 -0.206 3.756 3.960 0.002 0.000 0.242 441 G C 0.229 175.109 174.900 -0.033 0.000 0.989 441 G CA 0.172 45.234 45.100 -0.063 0.000 0.682 441 G HN 0.729 nan 8.290 nan 0.000 0.522 442 G N -2.375 106.412 108.800 -0.021 0.000 2.324 442 G HA2 0.546 4.507 3.960 0.002 0.000 0.293 442 G HA3 0.546 4.507 3.960 0.002 0.000 0.293 442 G C -0.909 173.996 174.900 0.008 0.000 1.297 442 G CA 0.449 45.565 45.100 0.026 0.000 0.853 442 G HN 1.928 nan 8.290 nan 0.000 0.535 443 C N 1.754 121.083 119.300 0.050 0.000 2.817 443 C HA 0.713 5.174 4.460 0.002 0.000 0.385 443 C C -2.637 172.323 174.990 -0.049 0.000 1.050 443 C CA -1.120 57.880 59.018 -0.029 0.000 1.245 443 C CB 1.217 28.882 27.740 -0.125 0.000 1.706 443 C HN 0.687 nan 8.230 nan 0.000 0.488 444 P HA 0.440 nan 4.420 nan 0.000 0.271 444 P C -0.682 176.512 177.300 -0.177 0.000 1.226 444 P CA 0.530 63.255 63.100 -0.625 0.000 0.765 444 P CB 1.111 32.187 31.700 -1.039 0.000 0.835 445 A N 2.511 125.299 122.820 -0.052 0.000 2.488 445 A HA 0.418 4.739 4.320 0.002 0.000 0.298 445 A C -1.163 176.483 177.584 0.104 0.000 1.044 445 A CA -0.541 51.560 52.037 0.107 0.000 0.693 445 A CB 1.281 20.471 19.000 0.317 0.000 1.272 445 A HN 0.427 nan 8.150 nan 0.000 0.402 446 D N 1.988 122.439 120.400 0.084 0.000 2.467 446 D HA 0.143 4.785 4.640 0.002 0.000 0.220 446 D C 0.808 177.256 176.300 0.245 0.000 1.103 446 D CA -0.453 53.630 54.000 0.138 0.000 0.886 446 D CB 0.395 41.210 40.800 0.025 0.000 1.025 446 D HN 0.615 nan 8.370 nan 0.000 0.514 447 W N 4.252 125.606 121.300 0.091 0.000 2.321 447 W HA -0.292 4.370 4.660 0.002 0.000 0.306 447 W C 1.912 178.479 176.519 0.080 0.000 1.217 447 W CA 2.202 59.587 57.345 0.067 0.000 1.257 447 W CB 0.088 29.564 29.460 0.027 0.000 1.145 447 W HN 0.552 nan 8.180 nan 0.000 0.509 448 A N -1.201 121.925 122.820 0.511 0.000 2.019 448 A HA -0.192 4.129 4.320 0.002 0.000 0.219 448 A C 1.446 179.079 177.584 0.082 0.000 1.164 448 A CA 1.605 53.847 52.037 0.341 0.000 0.644 448 A CB -1.230 18.002 19.000 0.387 0.000 0.805 448 A HN 0.543 nan 8.150 nan 0.000 0.449 449 W N -0.931 120.345 121.300 -0.039 0.000 2.704 449 W HA 0.196 4.857 4.660 0.002 0.000 0.266 449 W C 1.842 178.255 176.519 -0.177 0.000 1.266 449 W CA -0.083 57.216 57.345 -0.077 0.000 1.377 449 W CB -0.044 29.398 29.460 -0.030 0.000 1.082 449 W HN 0.136 nan 8.180 nan 0.000 0.608 450 I N -0.223 120.305 120.570 -0.070 0.000 2.333 450 I HA -0.055 4.116 4.170 0.002 0.000 0.246 450 I C 0.686 176.603 176.117 -0.333 0.000 1.106 450 I CA 0.694 61.822 61.300 -0.288 0.000 1.411 450 I CB -1.498 36.252 38.000 -0.417 0.000 1.082 450 I HN -0.419 nan 8.210 nan 0.000 0.420 451 V N 4.317 123.943 119.914 -0.479 0.000 2.485 451 V HA 0.043 4.165 4.120 0.002 0.000 0.287 451 V C -1.902 174.018 176.094 -0.290 0.000 1.022 451 V CA -0.903 61.106 62.300 -0.484 0.000 1.067 451 V CB -0.188 31.095 31.823 -0.900 0.000 0.967 451 V HN 0.135 nan 8.190 nan 0.000 0.479 452 P HA 0.152 nan 4.420 nan 0.000 0.270 452 P C -1.874 175.301 177.300 -0.209 0.000 1.223 452 P CA -1.241 61.740 63.100 -0.198 0.000 0.785 452 P CB 0.070 31.659 31.700 -0.184 0.000 0.923 453 P HA 0.041 nan 4.420 nan 0.000 0.236 453 P C 0.176 177.366 177.300 -0.183 0.000 1.177 453 P CA 0.903 63.888 63.100 -0.191 0.000 0.773 453 P CB 0.088 31.673 31.700 -0.193 0.000 0.878 454 I N -5.942 114.479 120.570 -0.249 0.000 2.740 454 I HA 0.507 4.678 4.170 0.002 0.000 0.303 454 I C -0.012 175.992 176.117 -0.188 0.000 1.044 454 I CA -1.195 59.979 61.300 -0.211 0.000 1.064 454 I CB 1.885 39.748 38.000 -0.230 0.000 1.249 454 I HN -0.385 nan 8.210 nan 0.000 0.433 455 S N 2.177 117.823 115.700 -0.090 0.000 3.641 455 S HA -0.177 4.294 4.470 0.002 0.000 0.346 455 S C 1.313 175.895 174.600 -0.030 0.000 1.074 455 S CA 0.700 58.892 58.200 -0.014 0.000 1.026 455 S CB -1.729 61.546 63.200 0.125 0.000 0.908 455 S HN 1.266 nan 8.310 nan 0.000 0.479 456 G N 2.316 111.069 108.800 -0.078 0.000 2.586 456 G HA2 -0.306 3.655 3.960 0.002 0.000 0.218 456 G HA3 -0.306 3.655 3.960 0.002 0.000 0.218 456 G C 1.453 176.253 174.900 -0.166 0.000 1.216 456 G CA 1.530 46.598 45.100 -0.053 0.000 0.786 456 G HN 1.292 nan 8.290 nan 0.000 0.583 457 S N -0.138 115.205 115.700 -0.595 0.000 2.561 457 S HA 0.144 4.615 4.470 0.002 0.000 0.225 457 S C 1.879 176.389 174.600 -0.151 0.000 0.977 457 S CA 0.427 58.066 58.200 -0.935 0.000 0.926 457 S CB 0.011 62.422 63.200 -1.315 0.000 0.769 457 S HN 0.048 nan 8.310 nan 0.000 0.533 458 L N 2.693 123.894 121.223 -0.037 0.000 2.610 458 L HA 0.243 4.584 4.340 0.002 0.000 0.232 458 L C 1.271 178.263 176.870 0.203 0.000 1.149 458 L CA 0.584 55.491 54.840 0.111 0.000 0.872 458 L CB -1.286 40.864 42.059 0.152 0.000 0.992 458 L HN 0.599 nan 8.230 nan 0.000 0.447 459 T N -4.433 110.229 114.554 0.181 0.000 2.895 459 T HA 0.390 4.741 4.350 0.002 0.000 0.283 459 T C -1.674 173.186 174.700 0.267 0.000 1.014 459 T CA -1.901 60.324 62.100 0.208 0.000 1.037 459 T CB 2.062 71.006 68.868 0.126 0.000 1.006 459 T HN -0.153 nan 8.240 nan 0.000 0.468 460 P HA -0.087 nan 4.420 nan 0.000 0.220 460 P C 1.798 179.296 177.300 0.330 0.000 1.148 460 P CA 1.002 64.290 63.100 0.314 0.000 0.803 460 P CB -0.333 31.499 31.700 0.221 0.000 0.782 461 V N -3.992 116.065 119.914 0.238 0.000 2.759 461 V HA -0.178 3.943 4.120 0.002 0.000 0.256 461 V C 2.343 178.522 176.094 0.141 0.000 1.080 461 V CA 1.060 63.470 62.300 0.184 0.000 1.101 461 V CB -2.199 29.669 31.823 0.075 0.000 0.698 461 V HN -0.128 nan 8.190 nan 0.000 0.477 462 F N 1.980 121.906 119.950 -0.039 0.000 2.120 462 F HA -0.190 4.338 4.527 0.002 0.000 0.300 462 F C 2.466 178.399 175.800 0.221 0.000 1.095 462 F CA 2.355 60.347 58.000 -0.012 0.000 1.249 462 F CB -0.256 38.595 39.000 -0.249 0.000 0.995 462 F HN 0.296 nan 8.300 nan 0.000 0.480 463 H N -1.145 118.264 119.070 0.566 0.000 2.526 463 H HA 0.117 4.674 4.556 0.002 0.000 0.274 463 H C 0.216 175.805 175.328 0.436 0.000 0.999 463 H CA 0.168 56.506 56.048 0.484 0.000 1.157 463 H CB -0.151 29.876 29.762 0.442 0.000 1.407 463 H HN 0.240 nan 8.280 nan 0.000 0.568 464 Q N 2.014 122.105 119.800 0.485 0.000 2.340 464 Q HA 0.163 4.504 4.340 0.002 0.000 0.259 464 Q C -0.588 175.659 176.000 0.411 0.000 0.964 464 Q CA -0.414 55.623 55.803 0.390 0.000 0.900 464 Q CB 0.741 29.673 28.738 0.323 0.000 1.228 464 Q HN 0.236 nan 8.270 nan 0.000 0.449 465 E N 3.274 123.662 120.200 0.315 0.000 2.398 465 E HA 0.242 4.593 4.350 0.002 0.000 0.263 465 E C -0.489 176.253 176.600 0.238 0.000 1.046 465 E CA 0.405 56.944 56.400 0.232 0.000 0.908 465 E CB 0.755 30.570 29.700 0.192 0.000 0.963 465 E HN 0.591 nan 8.360 nan 0.000 0.431 466 M N 1.523 121.262 119.600 0.231 0.000 2.433 466 M HA 0.338 4.819 4.480 0.002 0.000 0.290 466 M C -1.302 175.115 176.300 0.194 0.000 1.173 466 M CA -0.939 54.507 55.300 0.243 0.000 0.905 466 M CB 2.359 35.161 32.600 0.338 0.000 1.692 466 M HN 0.157 nan 8.290 nan 0.000 0.462 467 V N 2.069 122.104 119.914 0.202 0.000 2.435 467 V HA 0.480 4.602 4.120 0.002 0.000 0.290 467 V C -0.554 175.666 176.094 0.210 0.000 1.030 467 V CA -0.696 61.752 62.300 0.246 0.000 0.881 467 V CB 1.668 33.696 31.823 0.341 0.000 0.983 467 V HN 0.795 nan 8.190 nan 0.000 0.445 468 N N 3.721 122.541 118.700 0.200 0.000 2.372 468 N HA 0.673 5.414 4.740 0.002 0.000 0.291 468 N C -1.234 174.381 175.510 0.174 0.000 1.024 468 N CA -0.407 52.677 53.050 0.057 0.000 0.873 468 N CB 1.460 39.982 38.487 0.059 0.000 1.206 468 N HN 0.663 nan 8.380 nan 0.000 0.486 469 Y N 0.164 120.485 120.300 0.034 0.000 2.713 469 Y HA 0.535 5.086 4.550 0.002 0.000 0.335 469 Y C -1.221 174.683 175.900 0.006 0.000 1.222 469 Y CA -1.223 56.890 58.100 0.022 0.000 1.061 469 Y CB 0.741 39.220 38.460 0.031 0.000 1.314 469 Y HN 0.209 nan 8.280 nan 0.000 0.453 470 I N 3.432 124.113 120.570 0.185 0.000 2.307 470 I HA 0.396 4.567 4.170 0.002 0.000 0.289 470 I C -0.709 175.484 176.117 0.128 0.000 1.021 470 I CA -0.409 60.937 61.300 0.076 0.000 1.224 470 I CB 0.870 38.895 38.000 0.042 0.000 1.376 470 I HN 0.409 nan 8.210 nan 0.000 0.470 471 L N 4.753 126.024 121.223 0.080 0.000 2.352 471 L HA 0.546 4.888 4.340 0.002 0.000 0.269 471 L C 0.225 177.104 176.870 0.015 0.000 1.034 471 L CA -0.490 54.397 54.840 0.079 0.000 0.806 471 L CB 1.891 43.998 42.059 0.080 0.000 1.244 471 L HN 0.513 nan 8.230 nan 0.000 0.447 472 S N 1.129 116.844 115.700 0.026 0.000 2.503 472 S HA 0.608 5.079 4.470 0.002 0.000 0.301 472 S C -2.539 172.081 174.600 0.033 0.000 1.087 472 S CA -1.492 56.710 58.200 0.003 0.000 1.042 472 S CB 1.714 64.929 63.200 0.025 0.000 1.043 472 S HN 0.229 nan 8.310 nan 0.000 0.489 473 P HA 0.357 nan 4.420 nan 0.000 0.267 473 P C -1.367 175.818 177.300 -0.191 0.000 1.201 473 P CA -0.019 62.999 63.100 -0.136 0.000 0.775 473 P CB 0.483 32.065 31.700 -0.197 0.000 0.854 474 A N 1.702 124.366 122.820 -0.259 0.000 2.572 474 A HA 0.675 4.996 4.320 0.002 0.000 0.295 474 A C -1.465 175.896 177.584 -0.371 0.000 1.072 474 A CA -0.483 51.406 52.037 -0.246 0.000 0.691 474 A CB 0.781 19.706 19.000 -0.124 0.000 1.291 474 A HN 0.289 nan 8.150 nan 0.000 0.404 475 F N 1.320 121.189 119.950 -0.135 0.000 2.404 475 F HA 0.637 5.165 4.527 0.002 0.000 0.345 475 F C 1.106 176.796 175.800 -0.183 0.000 1.110 475 F CA 0.292 58.211 58.000 -0.135 0.000 1.130 475 F CB 1.470 40.361 39.000 -0.182 0.000 1.129 475 F HN 0.524 nan 8.300 nan 0.000 0.500 476 R N 1.771 122.283 120.500 0.021 0.000 2.854 476 R HA 0.444 4.785 4.340 0.002 0.000 0.271 476 R C -1.452 174.787 176.300 -0.101 0.000 0.994 476 R CA -1.260 54.768 56.100 -0.120 0.000 0.945 476 R CB 1.576 31.847 30.300 -0.049 0.000 1.194 476 R HN 0.385 nan 8.270 nan 0.000 0.476 477 Y N 1.417 121.740 120.300 0.039 0.000 2.457 477 Y HA 0.072 4.624 4.550 0.002 0.000 0.341 477 Y C 0.795 176.696 175.900 0.001 0.000 1.240 477 Y CA -0.016 58.095 58.100 0.019 0.000 1.437 477 Y CB 0.514 38.971 38.460 -0.004 0.000 1.328 477 Y HN 0.434 nan 8.280 nan 0.000 0.588 478 Q N 1.800 121.695 119.800 0.159 0.000 2.456 478 Q HA 0.615 4.956 4.340 0.002 0.000 0.284 478 Q C -3.015 172.962 176.000 -0.038 0.000 1.061 478 Q CA -2.408 53.422 55.803 0.044 0.000 0.799 478 Q CB 1.924 30.678 28.738 0.026 0.000 1.445 478 Q HN 0.321 nan 8.270 nan 0.000 0.411 479 P HA 0.055 nan 4.420 nan 0.000 0.269 479 P C -0.741 176.362 177.300 -0.328 0.000 1.209 479 P CA 0.009 62.989 63.100 -0.201 0.000 0.776 479 P CB 0.395 31.982 31.700 -0.189 0.000 0.876 480 D N 3.238 123.320 120.400 -0.530 0.000 2.472 480 D HA 0.010 4.651 4.640 0.002 0.000 0.237 480 D C -1.343 174.385 176.300 -0.954 0.000 1.141 480 D CA -0.703 52.736 54.000 -0.935 0.000 0.875 480 D CB 0.208 40.010 40.800 -1.663 0.000 1.192 480 D HN 0.257 nan 8.370 nan 0.000 0.450 481 P HA 0.044 nan 4.420 nan 0.000 0.242 481 P C -0.193 176.703 177.300 -0.673 0.000 1.197 481 P CA 0.315 62.991 63.100 -0.706 0.000 0.765 481 P CB -0.023 31.230 31.700 -0.745 0.000 0.936 482 W N 0.000 120.867 121.300 -0.722 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.073 57.345 -0.453 0.000 1.226 482 W CB 0.000 29.207 29.460 -0.421 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535