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 3n6e_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKXXXXXXXX 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 0.000 176.320 176.600 -0.467 0.000 0.988 69 K CA 0.000 56.059 56.287 -0.380 0.000 0.838 69 K CB 0.000 32.153 32.500 -0.578 0.000 1.064 70 F N 4.305 124.264 119.950 0.015 0.000 2.388 70 F HA 0.386 4.914 4.527 0.002 0.000 0.358 70 F C -2.148 173.730 175.800 0.131 0.000 1.122 70 F CA -2.585 55.444 58.000 0.048 0.000 1.056 70 F CB 0.658 39.680 39.000 0.037 0.000 1.155 70 F HN -0.129 nan 8.300 nan 0.000 0.461 71 P HA 0.070 nan 4.420 nan 0.000 0.271 71 P C -0.356 177.066 177.300 0.203 0.000 1.220 71 P CA -0.424 62.793 63.100 0.194 0.000 0.768 71 P CB 0.906 32.684 31.700 0.130 0.000 0.848 72 R N 2.543 123.121 120.500 0.130 0.000 2.389 72 R HA 0.342 4.683 4.340 0.002 0.000 0.295 72 R C -1.144 175.078 176.300 -0.130 0.000 1.075 72 R CA -0.342 55.656 56.100 -0.171 0.000 1.005 72 R CB 0.388 30.632 30.300 -0.094 0.000 0.987 72 R HN 0.273 nan 8.270 nan 0.000 0.452 73 V N 5.326 125.110 119.914 -0.216 0.000 2.443 73 V HA 0.301 4.422 4.120 0.002 0.000 0.293 73 V C -0.442 175.577 176.094 -0.124 0.000 1.021 73 V CA -0.759 61.491 62.300 -0.084 0.000 0.848 73 V CB 1.428 33.235 31.823 -0.025 0.000 0.998 73 V HN 0.744 nan 8.190 nan 0.000 0.424 74 K N 3.948 124.300 120.400 -0.080 0.000 2.221 74 K HA 0.430 4.751 4.320 0.002 0.000 0.258 74 K C -0.331 176.204 176.600 -0.109 0.000 0.944 74 K CA -0.618 55.544 56.287 -0.208 0.000 0.823 74 K CB 1.357 33.585 32.500 -0.453 0.000 1.113 74 K HN 0.676 nan 8.250 nan 0.000 0.431 75 N N 4.140 122.766 118.700 -0.122 0.000 2.414 75 N HA 0.071 4.812 4.740 0.002 0.000 0.256 75 N C -0.297 175.179 175.510 -0.057 0.000 1.029 75 N CA -0.227 52.837 53.050 0.024 0.000 0.948 75 N CB 0.479 39.001 38.487 0.058 0.000 1.102 75 N HN 0.696 nan 8.380 nan 0.000 0.496 76 W N 2.083 123.465 121.300 0.137 0.000 2.770 76 W HA 0.116 4.777 4.660 0.002 0.000 0.256 76 W C 2.100 178.665 176.519 0.076 0.000 1.291 76 W CA -0.117 57.299 57.345 0.118 0.000 1.396 76 W CB 0.278 29.836 29.460 0.164 0.000 1.114 76 W HN 0.670 nan 8.180 nan 0.000 0.637 77 E N 0.489 120.826 120.200 0.228 0.000 2.076 77 E HA -0.124 4.227 4.350 0.002 0.000 0.190 77 E C 1.673 178.294 176.600 0.036 0.000 0.979 77 E CA 1.077 57.508 56.400 0.052 0.000 0.807 77 E CB -0.203 29.489 29.700 -0.013 0.000 0.761 77 E HN 0.263 nan 8.360 nan 0.000 0.454 78 L N -0.981 120.261 121.223 0.031 0.000 2.590 78 L HA 0.328 4.669 4.340 0.002 0.000 0.227 78 L C 1.492 178.338 176.870 -0.040 0.000 1.099 78 L CA 0.372 55.211 54.840 -0.001 0.000 0.872 78 L CB 0.626 42.689 42.059 0.007 0.000 1.088 78 L HN 0.411 nan 8.230 nan 0.000 0.479 79 G N 0.708 109.456 108.800 -0.087 0.000 2.162 79 G HA2 -0.309 3.652 3.960 0.002 0.000 0.260 79 G HA3 -0.309 3.652 3.960 0.002 0.000 0.260 79 G C 0.373 175.169 174.900 -0.173 0.000 0.976 79 G CA 0.472 45.473 45.100 -0.164 0.000 0.655 79 G HN 0.464 nan 8.290 nan 0.000 0.533 80 S N -0.642 114.978 115.700 -0.134 0.000 2.610 80 S HA 0.791 5.263 4.470 0.002 0.000 0.273 80 S C -0.046 174.459 174.600 -0.159 0.000 1.274 80 S CA -0.637 57.493 58.200 -0.117 0.000 1.023 80 S CB 2.337 65.496 63.200 -0.068 0.000 0.962 80 S HN 0.571 nan 8.310 nan 0.000 0.523 81 I N 1.816 122.293 120.570 -0.156 0.000 2.498 81 I HA 0.468 4.639 4.170 0.002 0.000 0.290 81 I C 0.052 176.039 176.117 -0.217 0.000 1.032 81 I CA -0.365 60.799 61.300 -0.226 0.000 1.073 81 I CB 2.564 40.415 38.000 -0.249 0.000 1.251 81 I HN 0.976 nan 8.210 nan 0.000 0.426 82 T N 1.223 115.615 114.554 -0.269 0.000 2.907 82 T HA 0.630 4.981 4.350 0.002 0.000 0.290 82 T C -1.087 173.363 174.700 -0.417 0.000 1.066 82 T CA -0.809 61.159 62.100 -0.219 0.000 1.012 82 T CB 1.522 70.338 68.868 -0.086 0.000 1.184 82 T HN 0.246 nan 8.240 nan 0.000 0.522 83 Y N 0.168 120.462 120.300 -0.011 0.000 2.341 83 Y HA 0.438 4.989 4.550 0.002 0.000 0.338 83 Y C 0.080 175.976 175.900 -0.006 0.000 0.965 83 Y CA -0.961 57.142 58.100 0.005 0.000 1.108 83 Y CB 1.614 40.064 38.460 -0.016 0.000 1.180 83 Y HN 0.691 nan 8.280 nan 0.000 0.458 84 D N 2.160 122.657 120.400 0.162 0.000 2.339 84 D HA 0.071 4.712 4.640 0.002 0.000 0.241 84 D C 0.728 177.098 176.300 0.116 0.000 1.183 84 D CA 0.130 54.202 54.000 0.118 0.000 0.859 84 D CB 1.288 42.175 40.800 0.144 0.000 1.067 84 D HN 0.797 nan 8.370 nan 0.000 0.484 85 T N 1.165 115.707 114.554 -0.020 0.000 3.015 85 T HA -0.057 4.295 4.350 0.002 0.000 0.250 85 T C 1.907 176.598 174.700 -0.015 0.000 1.057 85 T CA -0.242 61.776 62.100 -0.137 0.000 1.066 85 T CB 0.056 68.650 68.868 -0.457 0.000 0.959 85 T HN 0.242 nan 8.240 nan 0.000 0.488 86 L N 2.687 123.900 121.223 -0.017 0.000 2.081 86 L HA -0.056 4.285 4.340 0.002 0.000 0.212 86 L C 2.736 179.516 176.870 -0.151 0.000 1.080 86 L CA 1.550 56.385 54.840 -0.008 0.000 0.754 86 L CB -1.094 41.026 42.059 0.103 0.000 0.893 86 L HN 0.700 nan 8.230 nan 0.000 0.433 87 C N -1.568 117.465 119.300 -0.445 0.000 2.409 87 C HA -0.035 4.426 4.460 0.002 0.000 0.284 87 C C 2.771 177.551 174.990 -0.350 0.000 1.354 87 C CA 0.216 58.670 59.018 -0.939 0.000 1.787 87 C CB -2.279 24.853 27.740 -1.014 0.000 1.900 87 C HN 0.581 nan 8.230 nan 0.000 0.520 88 A N 0.006 122.769 122.820 -0.094 0.000 2.125 88 A HA -0.083 4.238 4.320 0.002 0.000 0.219 88 A C 2.214 179.793 177.584 -0.008 0.000 1.156 88 A CA 1.385 53.418 52.037 -0.006 0.000 0.671 88 A CB -0.429 18.660 19.000 0.149 0.000 0.794 88 A HN 0.705 nan 8.150 nan 0.000 0.459 89 Q N 0.015 119.806 119.800 -0.015 0.000 2.451 89 Q HA 0.075 4.416 4.340 0.002 0.000 0.206 89 Q C 0.711 176.734 176.000 0.037 0.000 0.947 89 Q CA 0.294 56.111 55.803 0.024 0.000 0.937 89 Q CB -0.368 28.397 28.738 0.045 0.000 1.025 89 Q HN 0.497 nan 8.270 nan 0.000 0.511 90 S N 1.106 116.815 115.700 0.015 0.000 2.510 90 S HA 0.044 4.515 4.470 0.002 0.000 0.279 90 S C 0.877 175.500 174.600 0.039 0.000 1.284 90 S CA -0.057 58.179 58.200 0.060 0.000 1.059 90 S CB 0.460 63.708 63.200 0.079 0.000 0.901 90 S HN 0.140 nan 8.310 nan 0.000 0.491 91 Q N 2.456 122.285 119.800 0.048 0.000 2.217 91 Q HA 0.243 4.585 4.340 0.002 0.000 0.217 91 Q C -0.258 175.761 176.000 0.032 0.000 0.844 91 Q CA 0.105 55.929 55.803 0.035 0.000 0.957 91 Q CB 0.588 29.350 28.738 0.039 0.000 1.127 91 Q HN 0.615 nan 8.270 nan 0.000 0.503 92 Q N 1.235 121.059 119.800 0.041 0.000 2.333 92 Q HA 0.241 4.582 4.340 0.002 0.000 0.267 92 Q C -1.192 174.833 176.000 0.041 0.000 1.012 92 Q CA -0.314 55.511 55.803 0.035 0.000 0.824 92 Q CB 1.871 30.628 28.738 0.032 0.000 1.290 92 Q HN 0.075 nan 8.270 nan 0.000 0.449 93 D N 1.506 121.925 120.400 0.031 0.000 2.308 93 D HA 0.341 4.982 4.640 0.002 0.000 0.251 93 D C 0.452 176.773 176.300 0.036 0.000 1.127 93 D CA 0.175 54.195 54.000 0.033 0.000 0.876 93 D CB 1.244 42.058 40.800 0.023 0.000 1.176 93 D HN 0.619 nan 8.370 nan 0.000 0.446 94 G N 1.443 110.270 108.800 0.044 0.000 2.510 94 G HA2 0.332 4.293 3.960 0.002 0.000 0.280 94 G HA3 0.332 4.293 3.960 0.002 0.000 0.280 94 G C -1.435 173.487 174.900 0.036 0.000 1.386 94 G CA -0.622 44.504 45.100 0.043 0.000 1.047 94 G HN 0.350 nan 8.290 nan 0.000 0.527 95 P HA 0.180 nan 4.420 nan 0.000 0.245 95 P C 0.228 177.546 177.300 0.029 0.000 1.203 95 P CA -0.056 63.063 63.100 0.032 0.000 0.792 95 P CB 0.162 31.884 31.700 0.037 0.000 0.997 96 C N 0.783 120.102 119.300 0.032 0.000 2.443 96 C HA 0.630 5.091 4.460 0.002 0.000 0.369 96 C C 1.048 176.051 174.990 0.021 0.000 1.241 96 C CA 0.112 59.146 59.018 0.027 0.000 2.413 96 C CB 0.974 28.733 27.740 0.032 0.000 2.451 96 C HN 0.377 nan 8.230 nan 0.000 0.595 97 T N -1.415 113.148 114.554 0.015 0.000 2.812 97 T HA 0.456 4.807 4.350 0.002 0.000 0.294 97 T C -2.437 172.267 174.700 0.008 0.000 1.159 97 T CA -1.058 61.049 62.100 0.010 0.000 1.008 97 T CB 1.189 70.061 68.868 0.008 0.000 1.289 97 T HN 0.279 nan 8.240 nan 0.000 0.514 98 P HA 0.014 nan 4.420 nan 0.000 0.218 98 P C 1.557 178.858 177.300 0.002 0.000 1.149 98 P CA 0.698 63.799 63.100 0.002 0.000 0.817 98 P CB 0.056 31.756 31.700 -0.001 0.000 0.785 99 R N 0.197 120.698 120.500 0.002 0.000 2.092 99 R HA -0.086 4.255 4.340 0.002 0.000 0.231 99 R C 0.526 176.827 176.300 0.002 0.000 1.119 99 R CA 1.030 57.131 56.100 0.001 0.000 0.970 99 R CB 0.063 30.364 30.300 0.001 0.000 0.864 99 R HN 0.084 nan 8.270 nan 0.000 0.440 100 R N 0.028 120.530 120.500 0.004 0.000 2.561 100 R HA 0.146 4.487 4.340 0.002 0.000 0.266 100 R C -1.816 174.489 176.300 0.008 0.000 1.091 100 R CA -0.736 55.366 56.100 0.004 0.000 0.927 100 R CB 0.004 30.307 30.300 0.005 0.000 1.240 100 R HN 0.099 nan 8.270 nan 0.000 0.449 101 C N 3.887 123.191 119.300 0.007 0.000 2.415 101 C HA 0.515 4.976 4.460 0.002 0.000 0.369 101 C C 0.315 175.317 174.990 0.019 0.000 1.279 101 C CA -0.485 58.541 59.018 0.013 0.000 1.886 101 C CB -0.586 27.157 27.740 0.005 0.000 2.468 101 C HN 0.661 nan 8.230 nan 0.000 0.553 102 L N 6.340 127.580 121.223 0.028 0.000 3.110 102 L HA 0.338 4.679 4.340 0.002 0.000 0.266 102 L C 1.949 178.850 176.870 0.051 0.000 1.257 102 L CA 0.639 55.501 54.840 0.036 0.000 1.038 102 L CB -0.218 41.861 42.059 0.033 0.000 1.395 102 L HN 1.047 nan 8.230 nan 0.000 0.566 103 G N -0.514 108.319 108.800 0.054 0.000 2.470 103 G HA2 -0.237 3.724 3.960 0.002 0.000 0.220 103 G HA3 -0.237 3.724 3.960 0.002 0.000 0.220 103 G C 1.462 176.428 174.900 0.110 0.000 1.121 103 G CA 1.111 46.255 45.100 0.075 0.000 0.766 103 G HN 0.511 nan 8.290 nan 0.000 0.553 104 S N -0.160 115.602 115.700 0.102 0.000 2.593 104 S HA 0.306 4.777 4.470 0.002 0.000 0.217 104 S C 0.934 175.619 174.600 0.142 0.000 0.966 104 S CA -0.527 57.755 58.200 0.137 0.000 0.914 104 S CB -0.199 63.062 63.200 0.101 0.000 0.776 104 S HN 0.138 nan 8.310 nan 0.000 0.523 105 L N 1.916 123.206 121.223 0.111 0.000 2.426 105 L HA 0.221 4.562 4.340 0.002 0.000 0.271 105 L C 1.493 178.447 176.870 0.141 0.000 1.169 105 L CA -0.432 54.469 54.840 0.101 0.000 0.836 105 L CB 0.828 42.926 42.059 0.064 0.000 1.112 105 L HN 0.056 nan 8.230 nan 0.000 0.465 106 V N 3.845 123.845 119.914 0.143 0.000 2.302 106 V HA -0.102 4.019 4.120 0.002 0.000 0.243 106 V C 0.715 176.837 176.094 0.047 0.000 1.036 106 V CA 1.194 63.603 62.300 0.181 0.000 1.020 106 V CB -0.180 31.753 31.823 0.183 0.000 0.657 106 V HN 0.550 nan 8.190 nan 0.000 0.453 107 L N 1.307 122.515 121.223 -0.026 0.000 2.345 107 L HA 0.539 4.880 4.340 0.002 0.000 0.274 107 L C -2.643 174.231 176.870 0.008 0.000 0.999 107 L CA -1.431 53.373 54.840 -0.059 0.000 0.849 107 L CB 0.877 42.825 42.059 -0.185 0.000 1.220 107 L HN 0.103 nan 8.230 nan 0.000 0.422 108 P HA 0.424 nan 4.420 nan 0.000 0.281 108 P C 0.350 177.666 177.300 0.026 0.000 1.281 108 P CA -0.794 62.325 63.100 0.033 0.000 0.811 108 P CB 0.923 32.648 31.700 0.041 0.000 1.154 109 R N -0.389 120.121 120.500 0.017 0.000 2.241 109 R HA -0.030 4.311 4.340 0.002 0.000 0.224 109 R C 0.706 177.013 176.300 0.011 0.000 1.101 109 R CA 0.858 56.963 56.100 0.008 0.000 0.995 109 R CB -0.171 30.132 30.300 0.005 0.000 0.870 109 R HN 0.414 nan 8.270 nan 0.000 0.463 122 A N 1.369 124.193 122.820 0.008 0.000 1.873 122 A HA -0.236 4.085 4.320 0.002 0.000 0.218 122 A C 1.697 179.283 177.584 0.004 0.000 1.193 122 A CA 2.149 54.191 52.037 0.008 0.000 0.629 122 A CB -0.542 18.461 19.000 0.006 0.000 0.826 122 A HN 0.726 nan 8.150 nan 0.000 0.447 123 E N -0.041 120.161 120.200 0.002 0.000 2.058 123 E HA -0.294 4.057 4.350 0.002 0.000 0.194 123 E C 2.122 178.725 176.600 0.004 0.000 0.997 123 E CA 1.725 58.126 56.400 0.001 0.000 0.801 123 E CB -0.537 29.164 29.700 0.001 0.000 0.746 123 E HN 0.845 nan 8.360 nan 0.000 0.450 124 Q N 0.514 120.319 119.800 0.008 0.000 2.046 124 Q HA -0.103 4.238 4.340 0.002 0.000 0.200 124 Q C 2.354 178.365 176.000 0.019 0.000 0.975 124 Q CA 0.964 56.774 55.803 0.012 0.000 0.836 124 Q CB -0.234 28.510 28.738 0.010 0.000 0.896 124 Q HN 0.134 nan 8.270 nan 0.000 0.428 125 L N 0.573 121.809 121.223 0.022 0.000 2.042 125 L HA -0.175 4.166 4.340 0.002 0.000 0.210 125 L C 2.022 178.908 176.870 0.027 0.000 1.076 125 L CA 1.511 56.375 54.840 0.040 0.000 0.749 125 L CB -0.635 41.456 42.059 0.053 0.000 0.893 125 L HN 0.243 nan 8.230 nan 0.000 0.432 126 L N -0.655 120.566 121.223 -0.003 0.000 2.083 126 L HA -0.173 4.168 4.340 0.002 0.000 0.209 126 L C 2.736 179.594 176.870 -0.020 0.000 1.083 126 L CA 2.086 56.902 54.840 -0.039 0.000 0.752 126 L CB -0.768 41.267 42.059 -0.038 0.000 0.899 126 L HN 0.629 nan 8.230 nan 0.000 0.433 127 S N -2.024 113.679 115.700 0.006 0.000 2.436 127 S HA -0.159 4.312 4.470 0.002 0.000 0.228 127 S C 1.829 176.460 174.600 0.051 0.000 1.014 127 S CA 0.722 58.936 58.200 0.022 0.000 0.950 127 S CB -0.408 62.804 63.200 0.020 0.000 0.784 127 S HN 0.631 nan 8.310 nan 0.000 0.504 128 Q N 1.088 120.924 119.800 0.060 0.000 2.079 128 Q HA 0.106 4.447 4.340 0.002 0.000 0.200 128 Q C 2.618 178.709 176.000 0.152 0.000 0.974 128 Q CA 1.351 57.212 55.803 0.097 0.000 0.840 128 Q CB -0.524 28.261 28.738 0.079 0.000 0.898 128 Q HN 0.762 nan 8.270 nan 0.000 0.430 129 A N 1.446 124.332 122.820 0.109 0.000 1.858 129 A HA -0.220 4.101 4.320 0.002 0.000 0.216 129 A C 2.027 179.687 177.584 0.127 0.000 1.190 129 A CA 1.411 53.506 52.037 0.097 0.000 0.617 129 A CB -0.451 18.393 19.000 -0.261 0.000 0.827 129 A HN 0.198 nan 8.150 nan 0.000 0.443 130 R N -0.653 119.880 120.500 0.055 0.000 2.080 130 R HA -0.200 4.141 4.340 0.002 0.000 0.236 130 R C 2.118 178.496 176.300 0.131 0.000 1.137 130 R CA 1.834 57.977 56.100 0.070 0.000 0.943 130 R CB -0.602 29.714 30.300 0.026 0.000 0.846 130 R HN 0.727 nan 8.270 nan 0.000 0.431 131 D N -0.048 120.434 120.400 0.137 0.000 2.116 131 D HA -0.235 4.406 4.640 0.002 0.000 0.193 131 D C 1.671 178.097 176.300 0.211 0.000 0.998 131 D CA 1.362 55.453 54.000 0.153 0.000 0.836 131 D CB -0.112 40.773 40.800 0.142 0.000 0.951 131 D HN 0.187 nan 8.370 nan 0.000 0.449 132 F N 0.583 120.619 119.950 0.143 0.000 2.146 132 F HA -0.042 4.486 4.527 0.002 0.000 0.298 132 F C 1.966 177.904 175.800 0.230 0.000 1.096 132 F CA 0.944 59.063 58.000 0.199 0.000 1.275 132 F CB -0.171 38.950 39.000 0.202 0.000 1.008 132 F HN -0.018 nan 8.300 nan 0.000 0.480 133 I N 1.044 121.676 120.570 0.103 0.000 2.264 133 I HA -0.300 3.871 4.170 0.002 0.000 0.248 133 I C 1.889 178.075 176.117 0.115 0.000 1.111 133 I CA 1.184 62.537 61.300 0.089 0.000 1.382 133 I CB -1.643 36.510 38.000 0.254 0.000 1.060 133 I HN 0.243 nan 8.210 nan 0.000 0.418 134 N N 0.893 119.674 118.700 0.135 0.000 2.166 134 N HA -0.177 4.564 4.740 0.002 0.000 0.186 134 N C 1.846 177.319 175.510 -0.061 0.000 1.019 134 N CA 1.016 54.123 53.050 0.095 0.000 0.856 134 N CB -0.267 38.303 38.487 0.138 0.000 0.993 134 N HN 0.507 nan 8.380 nan 0.000 0.426 135 Q N -0.619 119.139 119.800 -0.070 0.000 2.050 135 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 135 Q C 1.785 177.536 176.000 -0.415 0.000 0.980 135 Q CA 1.277 57.031 55.803 -0.081 0.000 0.840 135 Q CB -0.296 28.532 28.738 0.150 0.000 0.898 135 Q HN 0.461 nan 8.270 nan 0.000 0.424 136 Y N 0.092 119.888 120.300 -0.840 0.000 2.128 136 Y HA -0.308 4.243 4.550 0.002 0.000 0.284 136 Y C 1.768 177.136 175.900 -0.886 0.000 1.154 136 Y CA 1.697 59.032 58.100 -1.276 0.000 1.149 136 Y CB -0.416 37.382 38.460 -1.103 0.000 0.976 136 Y HN 0.089 nan 8.280 nan 0.000 0.505 137 Y N -0.882 119.037 120.300 -0.634 0.000 2.352 137 Y HA -0.184 4.367 4.550 0.002 0.000 0.292 137 Y C 3.029 178.591 175.900 -0.564 0.000 1.136 137 Y CA 1.604 59.305 58.100 -0.665 0.000 1.227 137 Y CB -0.604 37.376 38.460 -0.800 0.000 0.991 137 Y HN 0.230 nan 8.280 nan 0.000 0.545 138 S N -0.622 114.862 115.700 -0.360 0.000 2.383 138 S HA -0.194 4.277 4.470 0.002 0.000 0.227 138 S C 2.381 176.815 174.600 -0.278 0.000 1.026 138 S CA 1.362 59.413 58.200 -0.247 0.000 0.981 138 S CB -0.658 62.449 63.200 -0.155 0.000 0.818 138 S HN 0.565 nan 8.310 nan 0.000 0.472 139 S N 2.046 117.489 115.700 -0.429 0.000 2.399 139 S HA -0.083 4.389 4.470 0.002 0.000 0.231 139 S C 1.643 176.022 174.600 -0.368 0.000 1.022 139 S CA 1.155 59.137 58.200 -0.365 0.000 0.983 139 S CB -0.984 61.896 63.200 -0.533 0.000 0.803 139 S HN 0.815 nan 8.310 nan 0.000 0.480 140 I N -2.897 117.349 120.570 -0.540 0.000 3.855 140 I HA 0.409 4.580 4.170 0.002 0.000 0.327 140 I C -0.172 175.795 176.117 -0.250 0.000 1.359 140 I CA -0.530 60.523 61.300 -0.411 0.000 1.142 140 I CB -0.160 37.499 38.000 -0.569 0.000 1.041 140 I HN -0.124 nan 8.210 nan 0.000 0.403 141 K N 1.614 121.891 120.400 -0.206 0.000 3.016 141 K HA -0.176 4.145 4.320 0.002 0.000 0.262 141 K C 0.152 176.697 176.600 -0.092 0.000 1.043 141 K CA 0.552 56.764 56.287 -0.124 0.000 0.761 141 K CB -1.534 30.913 32.500 -0.088 0.000 1.230 141 K HN 0.547 nan 8.250 nan 0.000 0.485 142 R N -0.247 120.195 120.500 -0.096 0.000 2.652 142 R HA 0.101 4.443 4.340 0.002 0.000 0.372 142 R C 0.027 176.328 176.300 0.003 0.000 1.104 142 R CA -0.212 55.885 56.100 -0.005 0.000 1.072 142 R CB 0.698 31.045 30.300 0.078 0.000 1.367 142 R HN 0.106 nan 8.270 nan 0.000 0.577 143 S N -0.029 115.635 115.700 -0.061 0.000 2.466 143 S HA 0.323 4.794 4.470 0.002 0.000 0.286 143 S C 1.222 175.865 174.600 0.073 0.000 1.221 143 S CA 1.193 59.349 58.200 -0.073 0.000 1.091 143 S CB 0.107 63.260 63.200 -0.078 0.000 0.956 143 S HN 0.734 nan 8.310 nan 0.000 0.501 144 G N 3.291 112.261 108.800 0.283 0.000 2.218 144 G HA2 -0.255 3.706 3.960 0.002 0.000 0.216 144 G HA3 -0.255 3.706 3.960 0.002 0.000 0.216 144 G C 0.319 175.251 174.900 0.054 0.000 0.994 144 G CA 0.128 45.321 45.100 0.154 0.000 0.637 144 G HN 1.325 nan 8.290 nan 0.000 0.505 145 S N -0.113 115.618 115.700 0.052 0.000 2.617 145 S HA 0.448 4.919 4.470 0.002 0.000 0.255 145 S C 1.334 175.915 174.600 -0.031 0.000 1.318 145 S CA 0.660 58.866 58.200 0.009 0.000 0.978 145 S CB 0.994 64.209 63.200 0.026 0.000 0.961 145 S HN 0.173 nan 8.310 nan 0.000 0.582 146 Q N 0.387 120.171 119.800 -0.028 0.000 2.079 146 Q HA -0.041 4.300 4.340 0.002 0.000 0.200 146 Q C 2.650 178.613 176.000 -0.060 0.000 0.974 146 Q CA 1.782 57.559 55.803 -0.044 0.000 0.840 146 Q CB -1.247 27.478 28.738 -0.021 0.000 0.898 146 Q HN 0.916 nan 8.270 nan 0.000 0.430 147 A N 0.248 123.052 122.820 -0.026 0.000 1.986 147 A HA -0.250 4.071 4.320 0.002 0.000 0.220 147 A C 1.939 179.371 177.584 -0.253 0.000 1.171 147 A CA 1.897 53.930 52.037 -0.006 0.000 0.640 147 A CB -0.870 18.227 19.000 0.163 0.000 0.811 147 A HN 0.566 nan 8.150 nan 0.000 0.451 148 H N -0.637 118.053 119.070 -0.635 0.000 2.307 148 H HA -0.079 4.478 4.556 0.002 0.000 0.303 148 H C 1.956 176.992 175.328 -0.486 0.000 1.073 148 H CA 1.121 56.540 56.048 -1.048 0.000 1.338 148 H CB 0.112 29.414 29.762 -0.767 0.000 1.389 148 H HN 0.511 nan 8.280 nan 0.000 0.503 149 E N 0.905 120.890 120.200 -0.358 0.000 2.077 149 E HA -0.181 4.170 4.350 0.002 0.000 0.193 149 E C 2.037 178.519 176.600 -0.197 0.000 0.989 149 E CA 1.020 57.230 56.400 -0.316 0.000 0.800 149 E CB -0.234 29.341 29.700 -0.208 0.000 0.746 149 E HN 0.684 nan 8.360 nan 0.000 0.452 150 E N 0.501 120.619 120.200 -0.135 0.000 2.150 150 E HA -0.168 4.183 4.350 0.002 0.000 0.193 150 E C 2.170 178.746 176.600 -0.040 0.000 0.985 150 E CA 0.716 57.075 56.400 -0.069 0.000 0.814 150 E CB -0.038 29.642 29.700 -0.033 0.000 0.752 150 E HN -0.049 nan 8.360 nan 0.000 0.466 151 R N 1.059 121.533 120.500 -0.044 0.000 2.090 151 R HA -0.055 4.286 4.340 0.002 0.000 0.228 151 R C 1.992 178.302 176.300 0.017 0.000 1.110 151 R CA 0.941 57.067 56.100 0.044 0.000 0.973 151 R CB -0.346 30.057 30.300 0.171 0.000 0.869 151 R HN 0.133 nan 8.270 nan 0.000 0.440 152 L N 0.107 121.295 121.223 -0.058 0.000 2.046 152 L HA -0.185 4.156 4.340 0.002 0.000 0.208 152 L C 2.517 179.343 176.870 -0.072 0.000 1.077 152 L CA 1.643 56.437 54.840 -0.077 0.000 0.747 152 L CB -0.438 41.526 42.059 -0.159 0.000 0.896 152 L HN 0.314 nan 8.230 nan 0.000 0.432 153 Q N -0.278 119.481 119.800 -0.069 0.000 2.084 153 Q HA -0.232 4.109 4.340 0.002 0.000 0.202 153 Q C 2.140 178.126 176.000 -0.024 0.000 0.978 153 Q CA 1.556 57.330 55.803 -0.049 0.000 0.844 153 Q CB -0.083 28.628 28.738 -0.046 0.000 0.898 153 Q HN 0.507 nan 8.270 nan 0.000 0.426 154 E N -0.123 120.075 120.200 -0.003 0.000 2.038 154 E HA -0.205 4.147 4.350 0.002 0.000 0.195 154 E C 2.117 178.731 176.600 0.023 0.000 1.000 154 E CA 1.605 58.021 56.400 0.028 0.000 0.803 154 E CB -0.068 29.669 29.700 0.061 0.000 0.750 154 E HN 0.145 nan 8.360 nan 0.000 0.448 155 V N 1.608 121.512 119.914 -0.016 0.000 2.287 155 V HA -0.281 3.840 4.120 0.002 0.000 0.248 155 V C 2.155 178.170 176.094 -0.130 0.000 1.053 155 V CA 1.942 64.163 62.300 -0.132 0.000 1.027 155 V CB -0.545 31.098 31.823 -0.299 0.000 0.646 155 V HN 0.261 nan 8.190 nan 0.000 0.447 156 E N 0.243 120.385 120.200 -0.096 0.000 2.038 156 E HA -0.267 4.084 4.350 0.002 0.000 0.195 156 E C 2.364 178.946 176.600 -0.030 0.000 1.000 156 E CA 1.495 57.855 56.400 -0.067 0.000 0.803 156 E CB -0.389 29.278 29.700 -0.056 0.000 0.750 156 E HN 0.594 nan 8.360 nan 0.000 0.448 157 A N 1.286 124.098 122.820 -0.013 0.000 1.908 157 A HA -0.280 4.041 4.320 0.002 0.000 0.218 157 A C 2.036 179.637 177.584 0.028 0.000 1.181 157 A CA 1.825 53.866 52.037 0.008 0.000 0.627 157 A CB -0.496 18.512 19.000 0.014 0.000 0.818 157 A HN 0.252 nan 8.150 nan 0.000 0.445 158 E N -0.544 119.683 120.200 0.045 0.000 2.047 158 E HA -0.102 4.249 4.350 0.002 0.000 0.191 158 E C 1.958 178.607 176.600 0.082 0.000 0.987 158 E CA 1.221 57.675 56.400 0.089 0.000 0.799 158 E CB -0.078 29.719 29.700 0.161 0.000 0.752 158 E HN 0.342 nan 8.360 nan 0.000 0.449 159 V N 1.120 121.064 119.914 0.051 0.000 2.343 159 V HA -0.258 3.863 4.120 0.002 0.000 0.247 159 V C 2.353 178.464 176.094 0.029 0.000 1.051 159 V CA 1.811 64.137 62.300 0.043 0.000 1.036 159 V CB -0.671 31.151 31.823 -0.002 0.000 0.654 159 V HN 0.387 nan 8.190 nan 0.000 0.451 160 A N -0.825 122.004 122.820 0.015 0.000 2.015 160 A HA -0.152 4.169 4.320 0.002 0.000 0.219 160 A C 2.419 180.014 177.584 0.020 0.000 1.163 160 A CA 2.123 54.167 52.037 0.012 0.000 0.646 160 A CB -0.354 18.648 19.000 0.003 0.000 0.806 160 A HN 0.522 nan 8.150 nan 0.000 0.448 161 S N -1.364 114.354 115.700 0.029 0.000 2.427 161 S HA -0.031 4.441 4.470 0.002 0.000 0.224 161 S C 1.958 176.581 174.600 0.038 0.000 1.047 161 S CA 1.396 59.615 58.200 0.032 0.000 0.953 161 S CB -0.010 63.213 63.200 0.037 0.000 0.824 161 S HN 0.857 nan 8.310 nan 0.000 0.502 162 T N -2.208 112.376 114.554 0.050 0.000 3.010 162 T HA 0.435 4.786 4.350 0.002 0.000 0.257 162 T C 1.478 176.206 174.700 0.047 0.000 1.020 162 T CA 0.879 63.012 62.100 0.055 0.000 0.938 162 T CB 0.447 69.363 68.868 0.081 0.000 1.049 162 T HN 0.501 nan 8.240 nan 0.000 0.522 163 G N 0.368 109.194 108.800 0.043 0.000 2.189 163 G HA2 -0.237 3.725 3.960 0.002 0.000 0.267 163 G HA3 -0.237 3.725 3.960 0.002 0.000 0.267 163 G C 0.219 175.147 174.900 0.046 0.000 0.975 163 G CA 0.738 45.859 45.100 0.036 0.000 0.644 163 G HN 0.994 nan 8.290 nan 0.000 0.537 164 T N -1.654 112.939 114.554 0.066 0.000 2.671 164 T HA 0.702 5.053 4.350 0.002 0.000 0.300 164 T C -1.237 173.564 174.700 0.169 0.000 1.238 164 T CA 0.408 62.553 62.100 0.074 0.000 1.020 164 T CB 1.475 70.306 68.868 -0.061 0.000 1.503 164 T HN 1.520 nan 8.240 nan 0.000 0.497 165 Y N -0.805 119.397 120.300 -0.163 0.000 2.853 165 Y HA 0.816 5.367 4.550 0.002 0.000 0.326 165 Y C -1.710 173.967 175.900 -0.371 0.000 1.384 165 Y CA -1.201 56.827 58.100 -0.120 0.000 1.077 165 Y CB 0.658 39.113 38.460 -0.009 0.000 1.395 165 Y HN 0.777 nan 8.280 nan 0.000 0.451 166 H N 0.429 119.447 119.070 -0.087 0.000 2.637 166 H HA 0.662 5.219 4.556 0.002 0.000 0.363 166 H C -1.081 174.233 175.328 -0.022 0.000 1.131 166 H CA -0.790 55.172 56.048 -0.142 0.000 1.183 166 H CB 1.993 31.744 29.762 -0.019 0.000 1.637 166 H HN 0.712 nan 8.280 nan 0.000 0.531 167 L N 2.883 124.136 121.223 0.050 0.000 2.371 167 L HA 0.361 4.702 4.340 0.002 0.000 0.272 167 L C 0.406 177.336 176.870 0.101 0.000 1.124 167 L CA -0.888 54.020 54.840 0.113 0.000 0.816 167 L CB 0.394 42.500 42.059 0.078 0.000 1.129 167 L HN 0.411 nan 8.230 nan 0.000 0.448 168 R N 1.725 122.270 120.500 0.075 0.000 2.594 168 R HA 0.004 4.345 4.340 0.002 0.000 0.272 168 R C 0.993 177.283 176.300 -0.016 0.000 1.074 168 R CA -0.127 55.987 56.100 0.023 0.000 1.105 168 R CB 0.348 30.646 30.300 -0.003 0.000 1.008 168 R HN 0.667 nan 8.270 nan 0.000 0.472 169 E N 1.362 121.552 120.200 -0.017 0.000 2.097 169 E HA -0.259 4.092 4.350 0.002 0.000 0.196 169 E C 1.407 177.987 176.600 -0.033 0.000 1.000 169 E CA 2.231 58.611 56.400 -0.033 0.000 0.804 169 E CB 0.192 29.877 29.700 -0.026 0.000 0.740 169 E HN 0.687 nan 8.360 nan 0.000 0.454 170 S N 0.113 115.792 115.700 -0.035 0.000 2.382 170 S HA -0.212 4.259 4.470 0.002 0.000 0.228 170 S C 1.777 176.354 174.600 -0.037 0.000 1.027 170 S CA 1.420 59.620 58.200 0.001 0.000 0.991 170 S CB -0.340 62.888 63.200 0.047 0.000 0.823 170 S HN 0.332 nan 8.310 nan 0.000 0.469 171 E N 0.883 120.919 120.200 -0.272 0.000 2.072 171 E HA -0.045 4.306 4.350 0.002 0.000 0.191 171 E C 2.046 178.767 176.600 0.202 0.000 0.985 171 E CA 1.095 57.347 56.400 -0.247 0.000 0.801 171 E CB -0.328 29.246 29.700 -0.210 0.000 0.750 171 E HN 0.451 nan 8.360 nan 0.000 0.452 172 L N 0.691 121.947 121.223 0.054 0.000 2.046 172 L HA -0.165 4.176 4.340 0.002 0.000 0.208 172 L C 2.172 179.040 176.870 -0.003 0.000 1.077 172 L CA 1.396 56.215 54.840 -0.034 0.000 0.747 172 L CB -0.312 41.658 42.059 -0.148 0.000 0.896 172 L HN -0.045 nan 8.230 nan 0.000 0.432 173 V N -0.436 119.499 119.914 0.036 0.000 2.287 173 V HA -0.323 3.799 4.120 0.002 0.000 0.248 173 V C 2.345 178.536 176.094 0.162 0.000 1.053 173 V CA 2.178 64.511 62.300 0.055 0.000 1.027 173 V CB -0.983 30.870 31.823 0.050 0.000 0.646 173 V HN 0.573 nan 8.190 nan 0.000 0.447 174 F N 2.059 122.095 119.950 0.143 0.000 2.126 174 F HA -0.110 4.418 4.527 0.002 0.000 0.299 174 F C 2.149 178.094 175.800 0.243 0.000 1.096 174 F CA 1.824 59.961 58.000 0.228 0.000 1.255 174 F CB -0.874 38.334 39.000 0.347 0.000 0.997 174 F HN 0.128 nan 8.300 nan 0.000 0.479 175 G N -0.362 108.561 108.800 0.205 0.000 2.402 175 G HA2 -0.190 3.771 3.960 0.002 0.000 0.216 175 G HA3 -0.190 3.771 3.960 0.002 0.000 0.216 175 G C 1.832 176.631 174.900 -0.167 0.000 1.162 175 G CA 0.803 45.922 45.100 0.032 0.000 0.777 175 G HN 0.636 nan 8.290 nan 0.000 0.539 176 A N 0.869 123.612 122.820 -0.128 0.000 1.902 176 A HA -0.030 4.291 4.320 0.002 0.000 0.217 176 A C 2.303 179.899 177.584 0.020 0.000 1.181 176 A CA 2.012 53.982 52.037 -0.111 0.000 0.623 176 A CB -0.354 18.610 19.000 -0.060 0.000 0.818 176 A HN 0.384 nan 8.150 nan 0.000 0.443 177 K N -1.241 119.198 120.400 0.065 0.000 2.148 177 K HA -0.136 4.185 4.320 0.002 0.000 0.204 177 K C 2.325 178.986 176.600 0.102 0.000 1.050 177 K CA 1.423 57.851 56.287 0.236 0.000 0.942 177 K CB -0.082 32.597 32.500 0.299 0.000 0.724 177 K HN 0.420 nan 8.250 nan 0.000 0.446 178 Q N 0.555 120.237 119.800 -0.196 0.000 2.123 178 Q HA -0.003 4.338 4.340 0.002 0.000 0.199 178 Q C 1.857 177.717 176.000 -0.233 0.000 0.966 178 Q CA 1.523 57.109 55.803 -0.361 0.000 0.845 178 Q CB -0.145 28.244 28.738 -0.582 0.000 0.907 178 Q HN 0.316 nan 8.270 nan 0.000 0.439 179 A N -0.635 122.059 122.820 -0.210 0.000 1.933 179 A HA -0.188 4.133 4.320 0.002 0.000 0.218 179 A C 1.796 179.424 177.584 0.073 0.000 1.175 179 A CA 1.475 53.352 52.037 -0.267 0.000 0.628 179 A CB -1.073 17.448 19.000 -0.799 0.000 0.814 179 A HN 0.679 nan 8.150 nan 0.000 0.444 180 W N 0.823 122.132 121.300 0.016 0.000 2.407 180 W HA -0.084 4.577 4.660 0.002 0.000 0.305 180 W C 2.331 178.812 176.519 -0.063 0.000 1.196 180 W CA 1.377 58.755 57.345 0.055 0.000 1.311 180 W CB -0.702 28.791 29.460 0.054 0.000 1.135 180 W HN 0.348 nan 8.180 nan 0.000 0.514 181 R N 0.348 120.753 120.500 -0.159 0.000 2.117 181 R HA -0.209 4.132 4.340 0.002 0.000 0.243 181 R C 1.526 177.657 176.300 -0.281 0.000 1.143 181 R CA 1.912 57.705 56.100 -0.513 0.000 0.968 181 R CB -0.630 29.050 30.300 -1.034 0.000 0.863 181 R HN 0.122 nan 8.270 nan 0.000 0.444 182 N N 0.150 118.742 118.700 -0.179 0.000 2.461 182 N HA 0.015 4.756 4.740 0.002 0.000 0.188 182 N C -0.414 175.052 175.510 -0.074 0.000 1.134 182 N CA 0.610 53.583 53.050 -0.129 0.000 0.878 182 N CB 0.482 38.897 38.487 -0.119 0.000 0.972 182 N HN 0.172 nan 8.380 nan 0.000 0.456 183 A N 1.922 124.744 122.820 0.004 0.000 2.457 183 A HA 0.289 4.610 4.320 0.002 0.000 0.298 183 A C -1.345 176.225 177.584 -0.024 0.000 1.288 183 A CA -1.009 51.040 52.037 0.020 0.000 0.956 183 A CB 0.431 19.502 19.000 0.117 0.000 1.135 183 A HN -0.013 nan 8.150 nan 0.000 0.535 184 P HA -0.068 nan 4.420 nan 0.000 0.223 184 P C 1.042 178.293 177.300 -0.080 0.000 1.151 184 P CA 0.959 64.007 63.100 -0.087 0.000 0.787 184 P CB 0.180 31.794 31.700 -0.143 0.000 0.788 185 R N -1.872 118.544 120.500 -0.140 0.000 2.310 185 R HA 0.131 4.472 4.340 0.002 0.000 0.202 185 R C 0.230 176.539 176.300 0.015 0.000 0.933 185 R CA -0.074 55.958 56.100 -0.114 0.000 1.054 185 R CB -0.501 29.514 30.300 -0.475 0.000 0.985 185 R HN 0.170 nan 8.270 nan 0.000 0.489 186 C N 0.513 119.809 119.300 -0.006 0.000 2.265 186 C HA 0.237 4.698 4.460 0.002 0.000 0.332 186 C C 1.794 176.738 174.990 -0.077 0.000 1.248 186 C CA -0.697 58.344 59.018 0.038 0.000 1.727 186 C CB 0.572 28.415 27.740 0.171 0.000 2.348 186 C HN 0.282 nan 8.230 nan 0.000 0.519 187 V N 6.004 125.828 119.914 -0.149 0.000 3.461 187 V HA 0.201 4.322 4.120 0.002 0.000 0.267 187 V C 1.785 177.888 176.094 0.016 0.000 1.186 187 V CA 2.039 64.151 62.300 -0.314 0.000 1.154 187 V CB -0.116 31.544 31.823 -0.272 0.000 0.802 187 V HN 1.071 nan 8.190 nan 0.000 0.474 188 G N -0.637 108.214 108.800 0.085 0.000 3.314 188 G HA2 0.033 3.994 3.960 0.002 0.000 0.238 188 G HA3 0.033 3.994 3.960 0.002 0.000 0.238 188 G C 1.277 176.218 174.900 0.068 0.000 1.184 188 G CA -0.316 44.859 45.100 0.124 0.000 0.806 188 G HN 0.438 nan 8.290 nan 0.000 0.536 189 R N -0.336 120.106 120.500 -0.097 0.000 2.316 189 R HA 0.155 4.497 4.340 0.002 0.000 0.202 189 R C 2.006 177.902 176.300 -0.674 0.000 1.029 189 R CA 0.006 55.761 56.100 -0.576 0.000 1.018 189 R CB -0.126 29.799 30.300 -0.625 0.000 0.888 189 R HN 0.433 nan 8.270 nan 0.000 0.471 190 I N 1.041 121.398 120.570 -0.355 0.000 2.530 190 I HA -0.261 3.910 4.170 0.002 0.000 0.257 190 I C 1.468 177.511 176.117 -0.122 0.000 1.179 190 I CA 1.363 62.620 61.300 -0.071 0.000 1.440 190 I CB 0.180 38.220 38.000 0.067 0.000 1.087 190 I HN 0.131 nan 8.210 nan 0.000 0.440 191 Q N 0.349 120.014 119.800 -0.225 0.000 2.403 191 Q HA -0.094 4.247 4.340 0.002 0.000 0.203 191 Q C 1.560 177.219 176.000 -0.568 0.000 0.932 191 Q CA 0.406 56.078 55.803 -0.218 0.000 0.945 191 Q CB -0.227 28.543 28.738 0.055 0.000 1.045 191 Q HN 0.809 nan 8.270 nan 0.000 0.511 192 W N -0.357 120.370 121.300 -0.956 0.000 2.350 192 W HA -0.054 4.607 4.660 0.002 0.000 0.289 192 W C 1.158 177.446 176.519 -0.384 0.000 1.215 192 W CA 1.055 57.700 57.345 -1.167 0.000 1.236 192 W CB -1.088 27.822 29.460 -0.916 0.000 1.130 192 W HN 0.076 nan 8.180 nan 0.000 0.541 193 G N 1.221 109.405 108.800 -1.027 0.000 2.679 193 G HA2 -0.165 3.796 3.960 0.002 0.000 0.212 193 G HA3 -0.165 3.796 3.960 0.002 0.000 0.212 193 G C 0.682 175.399 174.900 -0.305 0.000 1.137 193 G CA 0.020 44.597 45.100 -0.872 0.000 0.787 193 G HN 0.246 nan 8.290 nan 0.000 0.534 194 K N 0.057 120.378 120.400 -0.131 0.000 2.478 194 K HA 0.549 4.870 4.320 0.002 0.000 0.236 194 K C -1.737 174.988 176.600 0.209 0.000 1.021 194 K CA -0.717 55.592 56.287 0.036 0.000 1.010 194 K CB 0.512 33.046 32.500 0.056 0.000 1.331 194 K HN 0.050 nan 8.250 nan 0.000 0.470 195 L N 3.001 124.322 121.223 0.164 0.000 2.516 195 L HA 0.330 4.671 4.340 0.002 0.000 0.267 195 L C -1.440 175.438 176.870 0.014 0.000 0.957 195 L CA -0.353 54.592 54.840 0.174 0.000 0.860 195 L CB 1.984 44.219 42.059 0.293 0.000 1.265 195 L HN 0.484 nan 8.230 nan 0.000 0.403 196 Q N 3.176 122.935 119.800 -0.067 0.000 2.307 196 Q HA 0.510 4.851 4.340 0.002 0.000 0.259 196 Q C -1.479 174.244 176.000 -0.462 0.000 0.998 196 Q CA -0.011 55.588 55.803 -0.340 0.000 0.923 196 Q CB 1.123 29.548 28.738 -0.522 0.000 1.196 196 Q HN 0.526 nan 8.270 nan 0.000 0.416 197 V N 6.538 126.173 119.914 -0.465 0.000 2.333 197 V HA 0.362 4.483 4.120 0.002 0.000 0.274 197 V C -0.634 175.165 176.094 -0.492 0.000 1.028 197 V CA -0.531 61.554 62.300 -0.359 0.000 0.851 197 V CB 0.051 31.759 31.823 -0.191 0.000 1.000 197 V HN 0.636 nan 8.190 nan 0.000 0.456 198 F N 2.645 122.475 119.950 -0.200 0.000 2.411 198 F HA 0.359 4.887 4.527 0.002 0.000 0.355 198 F C 0.625 176.271 175.800 -0.256 0.000 1.117 198 F CA -0.680 57.199 58.000 -0.201 0.000 1.139 198 F CB 0.873 39.769 39.000 -0.174 0.000 1.120 198 F HN 0.406 nan 8.300 nan 0.000 0.493 199 D N 3.114 123.482 120.400 -0.053 0.000 2.365 199 D HA 0.380 5.021 4.640 0.002 0.000 0.237 199 D C 0.095 176.234 176.300 -0.270 0.000 1.190 199 D CA 0.048 53.950 54.000 -0.163 0.000 0.867 199 D CB 1.171 41.913 40.800 -0.098 0.000 1.050 199 D HN 0.621 nan 8.370 nan 0.000 0.491 200 A N 4.496 126.986 122.820 -0.551 0.000 2.594 200 A HA 0.159 4.480 4.320 0.002 0.000 0.287 200 A C 1.524 178.791 177.584 -0.528 0.000 1.227 200 A CA -0.378 51.066 52.037 -0.987 0.000 0.952 200 A CB 0.063 17.992 19.000 -1.785 0.000 1.161 200 A HN 0.542 nan 8.150 nan 0.000 0.524 201 R N 0.901 121.232 120.500 -0.281 0.000 2.316 201 R HA -0.047 4.294 4.340 0.002 0.000 0.202 201 R C 0.185 176.433 176.300 -0.086 0.000 1.029 201 R CA 1.067 57.082 56.100 -0.141 0.000 1.018 201 R CB 0.047 30.326 30.300 -0.034 0.000 0.888 201 R HN 0.622 nan 8.270 nan 0.000 0.471 202 D N -0.455 119.909 120.400 -0.059 0.000 2.460 202 D HA -0.025 4.616 4.640 0.002 0.000 0.229 202 D C -0.281 176.081 176.300 0.104 0.000 1.170 202 D CA -0.339 53.681 54.000 0.033 0.000 0.827 202 D CB -0.481 40.359 40.800 0.067 0.000 0.973 202 D HN -0.018 nan 8.370 nan 0.000 0.496 203 C N 1.352 120.688 119.300 0.060 0.000 2.369 203 C HA 0.532 4.993 4.460 0.002 0.000 0.358 203 C C 1.441 176.570 174.990 0.233 0.000 1.274 203 C CA 0.033 59.165 59.018 0.189 0.000 1.935 203 C CB 0.238 28.101 27.740 0.204 0.000 2.431 203 C HN 0.451 nan 8.230 nan 0.000 0.545 204 S N 2.465 118.340 115.700 0.291 0.000 2.819 204 S HA 0.349 4.820 4.470 0.002 0.000 0.249 204 S C -0.119 174.637 174.600 0.260 0.000 1.030 204 S CA 0.206 58.597 58.200 0.318 0.000 1.052 204 S CB -0.294 63.027 63.200 0.202 0.000 1.017 204 S HN 1.346 nan 8.310 nan 0.000 0.576 205 S N -0.558 115.299 115.700 0.261 0.000 2.552 205 S HA 0.773 5.244 4.470 0.002 0.000 0.272 205 S C 0.831 175.518 174.600 0.146 0.000 1.150 205 S CA -0.349 57.945 58.200 0.158 0.000 0.849 205 S CB 0.879 64.153 63.200 0.124 0.000 1.113 205 S HN 0.621 nan 8.310 nan 0.000 0.458 206 A N 1.414 124.293 122.820 0.098 0.000 1.917 206 A HA -0.140 4.181 4.320 0.002 0.000 0.219 206 A C 2.165 179.731 177.584 -0.031 0.000 1.182 206 A CA 1.903 53.986 52.037 0.076 0.000 0.633 206 A CB -1.045 18.072 19.000 0.195 0.000 0.819 206 A HN 0.783 nan 8.150 nan 0.000 0.448 207 Q N -0.282 119.575 119.800 0.095 0.000 2.045 207 Q HA -0.246 4.095 4.340 0.002 0.000 0.206 207 Q C 1.982 177.991 176.000 0.014 0.000 0.991 207 Q CA 2.279 58.106 55.803 0.039 0.000 0.851 207 Q CB -0.439 28.385 28.738 0.144 0.000 0.911 207 Q HN 0.844 nan 8.270 nan 0.000 0.418 208 E N -0.284 119.969 120.200 0.089 0.000 2.077 208 E HA -0.158 4.193 4.350 0.002 0.000 0.193 208 E C 2.157 178.901 176.600 0.239 0.000 0.989 208 E CA 1.083 57.570 56.400 0.145 0.000 0.800 208 E CB -0.137 29.697 29.700 0.223 0.000 0.746 208 E HN 0.350 nan 8.360 nan 0.000 0.452 209 M N -0.092 119.604 119.600 0.160 0.000 2.106 209 M HA -0.188 4.293 4.480 0.002 0.000 0.259 209 M C 2.216 178.565 176.300 0.081 0.000 1.068 209 M CA 1.370 56.706 55.300 0.059 0.000 1.100 209 M CB -0.383 32.031 32.600 -0.310 0.000 1.351 209 M HN 0.130 nan 8.290 nan 0.000 0.404 210 F N 1.353 121.119 119.950 -0.307 0.000 2.102 210 F HA -0.194 4.334 4.527 0.002 0.000 0.298 210 F C 2.340 178.030 175.800 -0.183 0.000 1.105 210 F CA 1.940 59.695 58.000 -0.409 0.000 1.239 210 F CB -0.767 37.654 39.000 -0.965 0.000 0.991 210 F HN 0.045 nan 8.300 nan 0.000 0.474 211 T N -0.357 114.051 114.554 -0.244 0.000 2.684 211 T HA -0.252 4.099 4.350 0.002 0.000 0.267 211 T C 1.726 176.260 174.700 -0.277 0.000 1.036 211 T CA 1.996 63.903 62.100 -0.322 0.000 1.148 211 T CB -0.804 67.920 68.868 -0.241 0.000 0.863 211 T HN 0.298 nan 8.240 nan 0.000 0.436 212 Y N 0.936 121.185 120.300 -0.085 0.000 2.165 212 Y HA -0.038 4.513 4.550 0.002 0.000 0.286 212 Y C 2.235 178.076 175.900 -0.097 0.000 1.155 212 Y CA 0.644 58.703 58.100 -0.070 0.000 1.164 212 Y CB -0.566 37.949 38.460 0.092 0.000 0.978 212 Y HN 0.200 nan 8.280 nan 0.000 0.513 213 I N -1.702 118.933 120.570 0.109 0.000 2.315 213 I HA -0.335 3.836 4.170 0.002 0.000 0.248 213 I C 2.249 178.279 176.117 -0.144 0.000 1.117 213 I CA 0.868 62.165 61.300 -0.005 0.000 1.404 213 I CB -0.426 37.569 38.000 -0.009 0.000 1.071 213 I HN 0.279 nan 8.210 nan 0.000 0.419 214 C N 0.438 119.539 119.300 -0.331 0.000 2.446 214 C HA -0.153 4.308 4.460 0.002 0.000 0.277 214 C C 2.669 177.543 174.990 -0.192 0.000 1.275 214 C CA 1.506 60.323 59.018 -0.335 0.000 1.727 214 C CB -1.475 25.943 27.740 -0.537 0.000 2.010 214 C HN 0.613 nan 8.230 nan 0.000 0.486 215 N N 0.182 118.753 118.700 -0.215 0.000 2.084 215 N HA -0.212 4.529 4.740 0.002 0.000 0.190 215 N C 1.620 177.009 175.510 -0.202 0.000 1.030 215 N CA 2.134 55.051 53.050 -0.222 0.000 0.849 215 N CB -0.554 37.732 38.487 -0.334 0.000 1.012 215 N HN 0.726 nan 8.380 nan 0.000 0.423 216 H N -0.421 118.450 119.070 -0.331 0.000 2.289 216 H HA -0.088 4.469 4.556 0.002 0.000 0.296 216 H C 1.988 177.320 175.328 0.007 0.000 1.091 216 H CA 2.386 58.312 56.048 -0.203 0.000 1.274 216 H CB -0.194 29.503 29.762 -0.108 0.000 1.364 216 H HN 0.280 nan 8.280 nan 0.000 0.490 217 I N 0.741 121.448 120.570 0.228 0.000 2.163 217 I HA -0.286 3.885 4.170 0.002 0.000 0.243 217 I C 2.730 178.914 176.117 0.111 0.000 1.085 217 I CA 1.427 62.828 61.300 0.167 0.000 1.347 217 I CB -0.355 37.669 38.000 0.040 0.000 1.044 217 I HN 0.337 nan 8.210 nan 0.000 0.408 218 K N 0.812 121.244 120.400 0.054 0.000 2.032 218 K HA -0.271 4.050 4.320 0.002 0.000 0.209 218 K C 2.345 178.987 176.600 0.070 0.000 1.048 218 K CA 1.919 58.229 56.287 0.038 0.000 0.927 218 K CB -0.529 31.972 32.500 0.001 0.000 0.712 218 K HN 0.290 nan 8.250 nan 0.000 0.441 219 Y N 1.001 121.303 120.300 0.003 0.000 2.114 219 Y HA -0.222 4.329 4.550 0.002 0.000 0.284 219 Y C 2.225 178.172 175.900 0.078 0.000 1.143 219 Y CA 2.341 60.478 58.100 0.061 0.000 1.135 219 Y CB -0.502 38.045 38.460 0.145 0.000 0.980 219 Y HN 0.195 nan 8.280 nan 0.000 0.499 220 A N -0.814 122.143 122.820 0.229 0.000 1.902 220 A HA -0.160 4.161 4.320 0.002 0.000 0.217 220 A C 2.197 179.837 177.584 0.092 0.000 1.181 220 A CA 2.219 54.365 52.037 0.182 0.000 0.623 220 A CB -1.294 17.850 19.000 0.241 0.000 0.818 220 A HN 0.527 nan 8.150 nan 0.000 0.443 221 T N -0.384 114.220 114.554 0.084 0.000 2.701 221 T HA -0.116 4.235 4.350 0.002 0.000 0.263 221 T C 1.031 175.735 174.700 0.007 0.000 1.040 221 T CA 1.051 63.190 62.100 0.066 0.000 1.147 221 T CB -0.513 68.394 68.868 0.065 0.000 0.865 221 T HN 0.740 nan 8.240 nan 0.000 0.426 222 N N 0.762 119.436 118.700 -0.043 0.000 2.714 222 N HA -0.278 4.463 4.740 0.002 0.000 0.252 222 N C -0.590 174.891 175.510 -0.049 0.000 1.014 222 N CA 0.237 53.236 53.050 -0.085 0.000 0.735 222 N CB -0.509 37.883 38.487 -0.158 0.000 0.924 222 N HN 0.362 nan 8.380 nan 0.000 0.540 223 R N -1.917 118.566 120.500 -0.028 0.000 3.741 223 R HA -0.252 4.089 4.340 0.002 0.000 0.292 223 R C 1.289 177.574 176.300 -0.025 0.000 1.176 223 R CA 1.435 57.521 56.100 -0.024 0.000 0.794 223 R CB -1.930 28.353 30.300 -0.029 0.000 1.213 223 R HN 0.853 nan 8.270 nan 0.000 0.494 224 G N -0.750 108.043 108.800 -0.012 0.000 2.238 224 G HA2 -0.339 3.622 3.960 0.002 0.000 0.217 224 G HA3 -0.339 3.622 3.960 0.002 0.000 0.217 224 G C -0.034 174.858 174.900 -0.014 0.000 0.996 224 G CA 0.017 45.113 45.100 -0.007 0.000 0.632 224 G HN 0.480 nan 8.290 nan 0.000 0.503 225 N N 1.379 120.058 118.700 -0.035 0.000 2.968 225 N HA 0.397 5.138 4.740 0.002 0.000 0.271 225 N C 0.123 175.610 175.510 -0.038 0.000 1.174 225 N CA -0.649 52.365 53.050 -0.060 0.000 1.096 225 N CB -0.104 38.341 38.487 -0.071 0.000 1.403 225 N HN 0.120 nan 8.380 nan 0.000 0.522 226 L N 2.425 123.653 121.223 0.008 0.000 2.485 226 L HA 0.130 4.471 4.340 0.002 0.000 0.275 226 L C 0.726 177.731 176.870 0.225 0.000 1.207 226 L CA 0.862 55.788 54.840 0.143 0.000 0.855 226 L CB 0.301 42.537 42.059 0.294 0.000 1.114 226 L HN 0.365 nan 8.230 nan 0.000 0.485 227 R N 1.311 121.951 120.500 0.233 0.000 2.532 227 R HA 0.403 4.744 4.340 0.002 0.000 0.297 227 R C -0.604 175.875 176.300 0.297 0.000 0.984 227 R CA -0.645 55.614 56.100 0.266 0.000 0.884 227 R CB 1.695 32.029 30.300 0.058 0.000 1.182 227 R HN 0.585 nan 8.270 nan 0.000 0.442 228 S N 1.669 117.539 115.700 0.284 0.000 2.537 228 S HA 0.341 4.812 4.470 0.002 0.000 0.286 228 S C -0.200 174.457 174.600 0.095 0.000 1.299 228 S CA -0.101 58.156 58.200 0.096 0.000 1.067 228 S CB 0.981 64.188 63.200 0.012 0.000 0.864 228 S HN 0.676 nan 8.310 nan 0.000 0.494 229 A N 3.200 126.035 122.820 0.025 0.000 2.572 229 A HA 0.838 5.160 4.320 0.002 0.000 0.295 229 A C -1.078 176.538 177.584 0.053 0.000 1.072 229 A CA -0.661 51.348 52.037 -0.047 0.000 0.691 229 A CB 1.246 20.148 19.000 -0.163 0.000 1.291 229 A HN 0.785 nan 8.150 nan 0.000 0.404 230 I N 0.451 121.062 120.570 0.069 0.000 2.769 230 I HA 0.653 4.824 4.170 0.002 0.000 0.298 230 I C -1.062 175.191 176.117 0.226 0.000 1.128 230 I CA -0.202 61.243 61.300 0.242 0.000 1.031 230 I CB 2.489 40.587 38.000 0.164 0.000 1.235 230 I HN 0.628 nan 8.210 nan 0.000 0.423 231 T N 5.860 120.564 114.554 0.251 0.000 2.824 231 T HA 0.490 4.841 4.350 0.002 0.000 0.282 231 T C -0.948 173.590 174.700 -0.270 0.000 0.993 231 T CA -0.380 61.719 62.100 -0.002 0.000 0.967 231 T CB 1.774 70.626 68.868 -0.025 0.000 0.960 231 T HN 0.249 nan 8.240 nan 0.000 0.441 232 V N 4.751 124.400 119.914 -0.441 0.000 2.350 232 V HA 0.492 4.613 4.120 0.002 0.000 0.285 232 V C -0.589 175.192 176.094 -0.521 0.000 1.014 232 V CA -0.836 61.222 62.300 -0.403 0.000 0.831 232 V CB 0.233 31.789 31.823 -0.444 0.000 1.000 232 V HN 0.736 nan 8.190 nan 0.000 0.433 233 F N 5.169 125.042 119.950 -0.129 0.000 2.362 233 F HA 0.522 5.050 4.527 0.002 0.000 0.311 233 F C -1.805 173.888 175.800 -0.178 0.000 1.161 233 F CA -2.387 55.468 58.000 -0.242 0.000 1.085 233 F CB 0.219 39.081 39.000 -0.230 0.000 1.311 233 F HN 0.279 nan 8.300 nan 0.000 0.524 234 P HA 0.016 nan 4.420 nan 0.000 0.266 234 P C -1.046 176.255 177.300 0.001 0.000 1.195 234 P CA -0.258 62.728 63.100 -0.190 0.000 0.768 234 P CB 0.247 31.637 31.700 -0.517 0.000 0.838 235 Q N 3.261 123.047 119.800 -0.024 0.000 2.492 235 Q HA 0.161 4.502 4.340 0.002 0.000 0.238 235 Q C -0.174 175.738 176.000 -0.146 0.000 1.045 235 Q CA -0.429 55.152 55.803 -0.370 0.000 0.934 235 Q CB 0.529 28.790 28.738 -0.794 0.000 1.276 235 Q HN 0.325 nan 8.270 nan 0.000 0.521 236 R N 0.135 120.522 120.500 -0.188 0.000 2.640 236 R HA 0.320 4.661 4.340 0.002 0.000 0.270 236 R C -0.649 175.598 176.300 -0.088 0.000 1.024 236 R CA 0.483 56.536 56.100 -0.077 0.000 1.085 236 R CB 0.343 30.587 30.300 -0.094 0.000 0.963 236 R HN 0.721 nan 8.270 nan 0.000 0.426 237 A N 4.026 126.835 122.820 -0.019 0.000 2.393 237 A HA 0.435 4.756 4.320 0.002 0.000 0.306 237 A C -1.704 175.877 177.584 -0.005 0.000 1.050 237 A CA -1.461 50.568 52.037 -0.014 0.000 0.724 237 A CB 1.507 20.527 19.000 0.034 0.000 1.248 237 A HN 0.476 nan 8.150 nan 0.000 0.424 238 P HA -0.159 nan 4.420 nan 0.000 0.217 238 P C 1.268 178.571 177.300 0.005 0.000 1.151 238 P CA 2.101 65.198 63.100 -0.005 0.000 0.849 238 P CB 0.085 31.783 31.700 -0.002 0.000 0.787 239 G N -0.476 108.332 108.800 0.013 0.000 3.088 239 G HA2 0.132 4.093 3.960 0.002 0.000 0.212 239 G HA3 0.132 4.093 3.960 0.002 0.000 0.212 239 G C 0.557 175.465 174.900 0.015 0.000 1.173 239 G CA -0.165 44.945 45.100 0.015 0.000 0.779 239 G HN 0.466 nan 8.290 nan 0.000 0.540 240 R N -2.636 117.872 120.500 0.013 0.000 2.728 240 R HA 0.578 4.919 4.340 0.002 0.000 0.274 240 R C 0.094 176.397 176.300 0.006 0.000 1.030 240 R CA -0.480 55.625 56.100 0.009 0.000 0.876 240 R CB 0.006 30.313 30.300 0.012 0.000 1.259 240 R HN 0.027 nan 8.270 nan 0.000 0.468 241 G N 0.067 108.862 108.800 -0.008 0.000 2.634 241 G HA2 0.283 4.245 3.960 0.002 0.000 0.255 241 G HA3 0.283 4.245 3.960 0.002 0.000 0.255 241 G C -0.897 173.998 174.900 -0.009 0.000 1.205 241 G CA -0.491 44.605 45.100 -0.007 0.000 0.884 241 G HN 0.576 nan 8.290 nan 0.000 0.549 242 D N -0.473 119.938 120.400 0.018 0.000 2.264 242 D HA 0.258 4.899 4.640 0.002 0.000 0.249 242 D C -0.074 176.251 176.300 0.042 0.000 1.070 242 D CA 0.020 54.064 54.000 0.075 0.000 0.912 242 D CB 1.054 41.908 40.800 0.091 0.000 1.193 242 D HN 0.092 nan 8.370 nan 0.000 0.427 243 F N 1.740 121.721 119.950 0.053 0.000 2.543 243 F HA 0.152 4.680 4.527 0.002 0.000 0.375 243 F C 1.260 177.097 175.800 0.062 0.000 1.075 243 F CA 0.375 58.398 58.000 0.039 0.000 1.225 243 F CB 0.395 39.415 39.000 0.032 0.000 1.099 243 F HN -0.168 nan 8.300 nan 0.000 0.561 244 R N 3.771 124.402 120.500 0.219 0.000 2.651 244 R HA 0.490 4.831 4.340 0.002 0.000 0.278 244 R C -1.204 175.242 176.300 0.243 0.000 1.010 244 R CA -0.927 55.312 56.100 0.232 0.000 0.896 244 R CB 2.127 32.585 30.300 0.264 0.000 1.211 244 R HN 0.594 nan 8.270 nan 0.000 0.456 245 I N 1.982 122.678 120.570 0.211 0.000 2.315 245 I HA 0.165 4.336 4.170 0.002 0.000 0.291 245 I C 0.585 176.905 176.117 0.339 0.000 1.006 245 I CA -0.368 61.057 61.300 0.209 0.000 1.265 245 I CB 1.055 39.119 38.000 0.107 0.000 1.387 245 I HN 0.521 nan 8.210 nan 0.000 0.475 246 W N 3.533 124.877 121.300 0.073 0.000 2.436 246 W HA -0.053 4.609 4.660 0.002 0.000 0.284 246 W C 0.978 177.604 176.519 0.177 0.000 1.225 246 W CA 0.065 57.515 57.345 0.176 0.000 1.271 246 W CB -0.821 28.717 29.460 0.130 0.000 1.114 246 W HN 0.407 nan 8.180 nan 0.000 0.559 247 N N 0.011 118.872 118.700 0.269 0.000 2.441 247 N HA -0.007 4.734 4.740 0.002 0.000 0.251 247 N C 1.324 176.902 175.510 0.114 0.000 1.242 247 N CA 0.942 54.075 53.050 0.138 0.000 0.898 247 N CB 0.672 39.179 38.487 0.033 0.000 1.100 247 N HN -0.091 nan 8.380 nan 0.000 0.443 248 S N 0.388 116.143 115.700 0.092 0.000 2.446 248 S HA 0.018 4.489 4.470 0.002 0.000 0.225 248 S C 0.309 174.907 174.600 -0.004 0.000 1.016 248 S CA 0.481 58.721 58.200 0.066 0.000 0.943 248 S CB 0.100 63.359 63.200 0.098 0.000 0.786 248 S HN 0.630 nan 8.310 nan 0.000 0.508 249 Q N -0.564 119.218 119.800 -0.030 0.000 2.451 249 Q HA 0.518 4.859 4.340 0.002 0.000 0.281 249 Q C 0.233 176.151 176.000 -0.137 0.000 1.099 249 Q CA -0.595 55.151 55.803 -0.095 0.000 0.806 249 Q CB 1.939 30.644 28.738 -0.055 0.000 1.419 249 Q HN 0.099 nan 8.270 nan 0.000 0.427 250 L N 0.054 121.171 121.223 -0.177 0.000 2.141 250 L HA 0.012 4.353 4.340 0.002 0.000 0.209 250 L C 0.362 177.087 176.870 -0.242 0.000 1.094 250 L CA 0.862 55.596 54.840 -0.178 0.000 0.763 250 L CB 0.137 42.084 42.059 -0.186 0.000 0.908 250 L HN 0.274 nan 8.230 nan 0.000 0.437 251 V N 0.794 120.475 119.914 -0.388 0.000 2.407 251 V HA 0.479 4.600 4.120 0.002 0.000 0.291 251 V C -0.246 175.278 176.094 -0.950 0.000 1.018 251 V CA -0.679 61.212 62.300 -0.682 0.000 0.842 251 V CB 1.727 33.020 31.823 -0.882 0.000 0.996 251 V HN 0.176 nan 8.190 nan 0.000 0.426 252 R N 2.631 122.715 120.500 -0.692 0.000 2.707 252 R HA 0.532 4.873 4.340 0.002 0.000 0.272 252 R C -1.853 174.215 176.300 -0.387 0.000 1.011 252 R CA -0.837 54.976 56.100 -0.477 0.000 0.893 252 R CB 2.632 32.827 30.300 -0.176 0.000 1.233 252 R HN 0.559 nan 8.270 nan 0.000 0.464 253 Y N 0.249 120.541 120.300 -0.014 0.000 2.334 253 Y HA 0.437 4.988 4.550 0.002 0.000 0.328 253 Y C 0.884 176.764 175.900 -0.032 0.000 1.130 253 Y CA -0.702 57.415 58.100 0.029 0.000 1.163 253 Y CB 1.201 39.764 38.460 0.172 0.000 1.207 253 Y HN 0.676 nan 8.280 nan 0.000 0.471 254 A N 1.615 124.485 122.820 0.083 0.000 2.466 254 A HA 0.531 4.852 4.320 0.002 0.000 0.238 254 A C 0.599 177.971 177.584 -0.353 0.000 1.074 254 A CA 0.319 52.243 52.037 -0.188 0.000 0.774 254 A CB -0.279 18.551 19.000 -0.283 0.000 1.015 254 A HN 0.939 nan 8.150 nan 0.000 0.498 255 G N 0.516 109.082 108.800 -0.391 0.000 2.574 255 G HA2 0.546 4.507 3.960 0.002 0.000 0.306 255 G HA3 0.546 4.507 3.960 0.002 0.000 0.306 255 G C -1.220 173.483 174.900 -0.327 0.000 1.334 255 G CA -0.265 44.636 45.100 -0.331 0.000 0.954 255 G HN 0.507 nan 8.290 nan 0.000 0.500 256 Y N 1.603 121.913 120.300 0.017 0.000 2.369 256 Y HA 0.430 4.982 4.550 0.002 0.000 0.337 256 Y C 1.013 176.911 175.900 -0.003 0.000 0.961 256 Y CA -1.064 57.047 58.100 0.017 0.000 1.186 256 Y CB 1.220 39.686 38.460 0.010 0.000 1.139 256 Y HN 0.426 nan 8.280 nan 0.000 0.494 257 R N 3.276 123.855 120.500 0.132 0.000 2.489 257 R HA 0.114 4.455 4.340 0.002 0.000 0.287 257 R C -0.311 176.032 176.300 0.071 0.000 1.053 257 R CA -0.156 55.989 56.100 0.074 0.000 1.036 257 R CB 0.468 30.800 30.300 0.053 0.000 0.966 257 R HN 0.641 nan 8.270 nan 0.000 0.432 258 Q N 2.509 122.337 119.800 0.046 0.000 2.204 258 Q HA 0.070 4.411 4.340 0.002 0.000 0.254 258 Q C 0.804 176.814 176.000 0.016 0.000 0.981 258 Q CA -0.546 55.274 55.803 0.028 0.000 0.897 258 Q CB 1.268 30.018 28.738 0.021 0.000 1.273 258 Q HN 0.573 nan 8.270 nan 0.000 0.464 259 Q N 1.165 120.969 119.800 0.006 0.000 2.047 259 Q HA -0.228 4.113 4.340 0.002 0.000 0.211 259 Q C 0.908 176.910 176.000 0.005 0.000 1.005 259 Q CA 2.233 58.037 55.803 0.003 0.000 0.866 259 Q CB -0.210 28.526 28.738 -0.004 0.000 0.938 259 Q HN 0.691 nan 8.270 nan 0.000 0.414 260 D N -0.874 119.528 120.400 0.004 0.000 2.389 260 D HA -0.050 4.591 4.640 0.002 0.000 0.250 260 D C 0.980 177.284 176.300 0.008 0.000 1.136 260 D CA 0.849 54.852 54.000 0.004 0.000 0.945 260 D CB -0.291 40.511 40.800 0.002 0.000 0.890 260 D HN 0.501 nan 8.370 nan 0.000 0.525 261 G N 1.023 109.829 108.800 0.011 0.000 2.257 261 G HA2 -0.374 3.587 3.960 0.002 0.000 0.267 261 G HA3 -0.374 3.587 3.960 0.002 0.000 0.267 261 G C 0.580 175.488 174.900 0.014 0.000 0.984 261 G CA 0.750 45.857 45.100 0.013 0.000 0.626 261 G HN 0.715 nan 8.290 nan 0.000 0.540 262 S N -0.865 114.842 115.700 0.012 0.000 2.624 262 S HA 0.690 5.161 4.470 0.002 0.000 0.263 262 S C 0.084 174.690 174.600 0.010 0.000 1.287 262 S CA -0.123 58.083 58.200 0.009 0.000 0.990 262 S CB 2.406 65.610 63.200 0.007 0.000 0.950 262 S HN 1.002 nan 8.310 nan 0.000 0.561 263 V N 1.600 121.512 119.914 -0.004 0.000 2.459 263 V HA 0.543 4.664 4.120 0.002 0.000 0.295 263 V C 0.105 176.185 176.094 -0.023 0.000 1.029 263 V CA -0.853 61.440 62.300 -0.011 0.000 0.874 263 V CB 1.454 33.250 31.823 -0.044 0.000 0.985 263 V HN 0.940 nan 8.190 nan 0.000 0.438 264 R N 3.309 123.825 120.500 0.027 0.000 2.229 264 R HA 0.683 5.024 4.340 0.002 0.000 0.328 264 R C 0.466 176.753 176.300 -0.022 0.000 1.009 264 R CA 1.090 57.215 56.100 0.040 0.000 0.864 264 R CB 0.632 31.017 30.300 0.142 0.000 1.085 264 R HN 1.207 nan 8.270 nan 0.000 0.453 265 G N 3.007 111.717 108.800 -0.151 0.000 2.466 265 G HA2 -0.235 3.726 3.960 0.002 0.000 0.218 265 G HA3 -0.235 3.726 3.960 0.002 0.000 0.218 265 G C -1.360 173.195 174.900 -0.575 0.000 1.237 265 G CA -0.062 44.872 45.100 -0.276 0.000 0.954 265 G HN 0.683 nan 8.290 nan 0.000 0.580 266 D N 1.592 121.751 120.400 -0.401 0.000 2.359 266 D HA 0.573 5.214 4.640 0.002 0.000 0.230 266 D C -1.061 175.118 176.300 -0.201 0.000 1.118 266 D CA -2.046 51.710 54.000 -0.405 0.000 0.844 266 D CB 1.497 42.354 40.800 0.094 0.000 1.059 266 D HN -0.004 nan 8.370 nan 0.000 0.493 267 P HA -0.030 nan 4.420 nan 0.000 0.225 267 P C 0.823 178.122 177.300 -0.002 0.000 1.148 267 P CA 0.623 63.675 63.100 -0.081 0.000 0.779 267 P CB 0.236 31.900 31.700 -0.060 0.000 0.780 268 A N -0.500 122.335 122.820 0.025 0.000 2.172 268 A HA -0.089 4.232 4.320 0.002 0.000 0.216 268 A C 1.553 179.182 177.584 0.076 0.000 1.154 268 A CA 1.227 53.313 52.037 0.083 0.000 0.701 268 A CB -0.748 18.325 19.000 0.121 0.000 0.789 268 A HN 0.136 nan 8.150 nan 0.000 0.465 269 N N -0.907 117.815 118.700 0.036 0.000 2.238 269 N HA 0.136 4.877 4.740 0.002 0.000 0.235 269 N C 1.034 176.532 175.510 -0.019 0.000 1.209 269 N CA 0.158 53.220 53.050 0.020 0.000 0.879 269 N CB 0.723 39.219 38.487 0.015 0.000 1.136 269 N HN 0.154 nan 8.380 nan 0.000 0.517 270 V N 1.009 120.915 119.914 -0.013 0.000 2.332 270 V HA -0.212 3.909 4.120 0.002 0.000 0.248 270 V C 2.385 178.474 176.094 -0.008 0.000 1.055 270 V CA 1.784 64.074 62.300 -0.016 0.000 1.038 270 V CB -0.200 31.625 31.823 0.003 0.000 0.651 270 V HN 0.380 nan 8.190 nan 0.000 0.450 271 E N -0.441 119.760 120.200 0.001 0.000 2.072 271 E HA -0.219 4.132 4.350 0.002 0.000 0.191 271 E C 2.154 178.672 176.600 -0.137 0.000 0.985 271 E CA 1.369 57.748 56.400 -0.035 0.000 0.801 271 E CB -0.074 29.646 29.700 0.034 0.000 0.750 271 E HN 0.515 nan 8.360 nan 0.000 0.452 272 I N 0.774 121.276 120.570 -0.114 0.000 2.315 272 I HA -0.194 3.977 4.170 0.002 0.000 0.248 272 I C 2.029 178.094 176.117 -0.088 0.000 1.117 272 I CA 1.424 62.634 61.300 -0.151 0.000 1.404 272 I CB -0.320 37.642 38.000 -0.064 0.000 1.071 272 I HN 0.046 nan 8.210 nan 0.000 0.419 273 T N 0.205 114.731 114.554 -0.046 0.000 2.720 273 T HA -0.221 4.130 4.350 0.002 0.000 0.268 273 T C 1.770 176.539 174.700 0.114 0.000 1.037 273 T CA 1.963 64.082 62.100 0.032 0.000 1.144 273 T CB -0.328 68.541 68.868 0.001 0.000 0.864 273 T HN 0.457 nan 8.240 nan 0.000 0.444 274 E N 0.427 120.658 120.200 0.052 0.000 2.150 274 E HA 0.014 4.365 4.350 0.002 0.000 0.193 274 E C 2.178 178.804 176.600 0.042 0.000 0.985 274 E CA 0.577 57.013 56.400 0.059 0.000 0.814 274 E CB -0.215 29.497 29.700 0.020 0.000 0.752 274 E HN 0.401 nan 8.360 nan 0.000 0.466 275 L N 0.104 121.320 121.223 -0.011 0.000 2.056 275 L HA -0.226 4.115 4.340 0.002 0.000 0.207 275 L C 2.483 179.446 176.870 0.154 0.000 1.078 275 L CA 0.776 55.642 54.840 0.045 0.000 0.749 275 L CB -0.322 41.699 42.059 -0.065 0.000 0.901 275 L HN 0.331 nan 8.230 nan 0.000 0.433 276 C N -0.076 119.278 119.300 0.091 0.000 2.413 276 C HA -0.171 4.290 4.460 0.002 0.000 0.276 276 C C 2.706 177.858 174.990 0.270 0.000 1.248 276 C CA 0.550 59.635 59.018 0.113 0.000 1.742 276 C CB -0.703 27.014 27.740 -0.039 0.000 2.017 276 C HN 0.427 nan 8.230 nan 0.000 0.481 277 I N 0.289 121.038 120.570 0.299 0.000 2.179 277 I HA -0.263 3.908 4.170 0.002 0.000 0.242 277 I C 2.805 178.974 176.117 0.087 0.000 1.088 277 I CA 1.578 63.010 61.300 0.220 0.000 1.357 277 I CB -0.694 37.407 38.000 0.168 0.000 1.051 277 I HN 0.454 nan 8.210 nan 0.000 0.409 278 Q N 0.550 120.373 119.800 0.038 0.000 2.181 278 Q HA -0.245 4.096 4.340 0.002 0.000 0.205 278 Q C 1.220 177.093 176.000 -0.212 0.000 0.980 278 Q CA 1.703 57.450 55.803 -0.093 0.000 0.862 278 Q CB -0.022 28.640 28.738 -0.126 0.000 0.905 278 Q HN 0.611 nan 8.270 nan 0.000 0.429 279 H N -1.870 117.182 119.070 -0.029 0.000 2.567 279 H HA 0.254 4.811 4.556 0.002 0.000 0.294 279 H C 0.635 175.932 175.328 -0.052 0.000 1.050 279 H CA 0.601 56.604 56.048 -0.075 0.000 1.168 279 H CB 0.727 30.395 29.762 -0.157 0.000 1.422 279 H HN 0.493 nan 8.280 nan 0.000 0.562 280 G N -0.419 108.416 108.800 0.059 0.000 2.184 280 G HA2 -0.255 3.706 3.960 0.002 0.000 0.206 280 G HA3 -0.255 3.706 3.960 0.002 0.000 0.206 280 G C -0.049 174.913 174.900 0.104 0.000 0.995 280 G CA -0.268 44.856 45.100 0.040 0.000 0.651 280 G HN 0.370 nan 8.290 nan 0.000 0.511 281 W N 2.951 124.226 121.300 -0.042 0.000 2.216 281 W HA 0.601 5.262 4.660 0.002 0.000 0.326 281 W C 0.379 176.889 176.519 -0.016 0.000 1.319 281 W CA 0.481 57.807 57.345 -0.031 0.000 1.213 281 W CB 0.630 30.082 29.460 -0.013 0.000 1.171 281 W HN 0.058 nan 8.180 nan 0.000 0.557 282 T N 9.777 124.036 114.554 -0.491 0.000 2.727 282 T HA 0.180 4.531 4.350 0.002 0.000 0.295 282 T C -2.079 171.860 174.700 -1.269 0.000 0.915 282 T CA -0.868 60.862 62.100 -0.618 0.000 1.066 282 T CB 0.345 69.007 68.868 -0.343 0.000 0.891 282 T HN 0.222 nan 8.240 nan 0.000 0.516 283 P HA 0.314 nan 4.420 nan 0.000 0.274 283 P C 0.526 177.401 177.300 -0.708 0.000 1.231 283 P CA -0.324 62.031 63.100 -1.242 0.000 0.790 283 P CB 0.820 32.186 31.700 -0.557 0.000 0.951 284 G N 1.306 109.858 108.800 -0.415 0.000 2.531 284 G HA2 0.308 4.269 3.960 0.002 0.000 0.253 284 G HA3 0.308 4.269 3.960 0.002 0.000 0.253 284 G C 0.112 174.748 174.900 -0.440 0.000 1.439 284 G CA -0.458 44.528 45.100 -0.191 0.000 1.056 284 G HN 0.696 nan 8.290 nan 0.000 0.555 285 N N -1.500 117.062 118.700 -0.230 0.000 2.453 285 N HA 0.239 4.980 4.740 0.002 0.000 0.267 285 N C 0.153 175.659 175.510 -0.006 0.000 1.482 285 N CA 0.151 53.020 53.050 -0.300 0.000 0.841 285 N CB 0.268 38.596 38.487 -0.265 0.000 1.408 285 N HN 0.710 nan 8.380 nan 0.000 0.490 286 G N -0.075 108.822 108.800 0.161 0.000 2.601 286 G HA2 0.402 4.363 3.960 0.002 0.000 0.317 286 G HA3 0.402 4.363 3.960 0.002 0.000 0.317 286 G C 0.371 175.353 174.900 0.135 0.000 1.246 286 G CA -0.822 44.364 45.100 0.144 0.000 1.012 286 G HN 0.111 nan 8.290 nan 0.000 0.494 287 R N -1.257 119.222 120.500 -0.036 0.000 2.240 287 R HA 0.120 4.461 4.340 0.002 0.000 0.203 287 R C -0.192 175.660 176.300 -0.747 0.000 1.011 287 R CA 0.702 56.584 56.100 -0.364 0.000 1.007 287 R CB 0.096 30.074 30.300 -0.537 0.000 0.911 287 R HN 0.379 nan 8.270 nan 0.000 0.468 288 F N 0.556 120.460 119.950 -0.077 0.000 2.619 288 F HA 0.240 4.768 4.527 0.002 0.000 0.382 288 F C -0.775 174.965 175.800 -0.100 0.000 1.466 288 F CA -1.199 56.498 58.000 -0.506 0.000 1.137 288 F CB 0.591 39.135 39.000 -0.759 0.000 1.205 288 F HN -0.284 nan 8.300 nan 0.000 0.525 289 D N 1.678 122.238 120.400 0.268 0.000 2.325 289 D HA 0.204 4.845 4.640 0.002 0.000 0.251 289 D C 0.235 176.786 176.300 0.418 0.000 1.196 289 D CA 0.137 54.363 54.000 0.377 0.000 0.866 289 D CB 2.196 43.279 40.800 0.473 0.000 1.101 289 D HN -0.075 nan 8.370 nan 0.000 0.476 290 V N 3.837 123.964 119.914 0.355 0.000 2.529 290 V HA 0.012 4.133 4.120 0.002 0.000 0.292 290 V C 1.038 177.132 176.094 -0.000 0.000 1.028 290 V CA -0.332 62.063 62.300 0.158 0.000 1.074 290 V CB 0.292 32.162 31.823 0.079 0.000 0.958 290 V HN 0.351 nan 8.190 nan 0.000 0.481 291 L N 8.161 129.286 121.223 -0.164 0.000 2.452 291 L HA 0.313 4.655 4.340 0.002 0.000 0.267 291 L C -1.670 174.937 176.870 -0.437 0.000 1.188 291 L CA -1.303 53.282 54.840 -0.425 0.000 0.821 291 L CB 0.756 42.601 42.059 -0.356 0.000 1.102 291 L HN 0.492 nan 8.230 nan 0.000 0.470 292 P HA 0.217 nan 4.420 nan 0.000 0.276 292 P C -1.085 176.051 177.300 -0.273 0.000 1.252 292 P CA -0.496 62.340 63.100 -0.439 0.000 0.802 292 P CB 0.804 32.134 31.700 -0.618 0.000 1.035 293 L N 0.961 122.118 121.223 -0.110 0.000 2.312 293 L HA 0.355 4.696 4.340 0.002 0.000 0.281 293 L C 0.485 177.332 176.870 -0.039 0.000 1.070 293 L CA -0.598 54.225 54.840 -0.028 0.000 0.805 293 L CB 0.323 42.438 42.059 0.093 0.000 1.174 293 L HN 0.192 nan 8.230 nan 0.000 0.434 294 L N 5.267 126.447 121.223 -0.071 0.000 2.277 294 L HA 0.463 4.804 4.340 0.002 0.000 0.284 294 L C -0.630 176.150 176.870 -0.150 0.000 1.028 294 L CA -0.203 54.517 54.840 -0.201 0.000 0.835 294 L CB 0.880 42.732 42.059 -0.346 0.000 1.215 294 L HN 0.459 nan 8.230 nan 0.000 0.425 295 L N 4.036 125.210 121.223 -0.081 0.000 2.317 295 L HA 0.525 4.866 4.340 0.002 0.000 0.281 295 L C -0.323 176.481 176.870 -0.111 0.000 1.024 295 L CA -0.432 54.390 54.840 -0.029 0.000 0.810 295 L CB 1.900 43.982 42.059 0.039 0.000 1.240 295 L HN 0.554 nan 8.230 nan 0.000 0.427 296 Q N 2.374 122.134 119.800 -0.066 0.000 2.309 296 Q HA 0.657 4.998 4.340 0.002 0.000 0.270 296 Q C -1.066 174.876 176.000 -0.097 0.000 1.023 296 Q CA -0.567 55.189 55.803 -0.078 0.000 0.758 296 Q CB 2.193 30.959 28.738 0.047 0.000 1.247 296 Q HN 0.792 nan 8.270 nan 0.000 0.455 297 A N 4.878 127.589 122.820 -0.181 0.000 2.286 297 A HA 0.623 4.945 4.320 0.002 0.000 0.286 297 A C -2.401 174.940 177.584 -0.404 0.000 1.097 297 A CA -1.522 50.257 52.037 -0.430 0.000 0.821 297 A CB 0.093 18.933 19.000 -0.268 0.000 1.076 297 A HN 0.605 nan 8.150 nan 0.000 0.490 298 P HA 0.070 nan 4.420 nan 0.000 0.261 298 P C -0.612 176.595 177.300 -0.155 0.000 1.183 298 P CA 0.820 63.726 63.100 -0.324 0.000 0.761 298 P CB 0.165 31.670 31.700 -0.324 0.000 0.785 299 D N -0.006 120.349 120.400 -0.075 0.000 3.012 299 D HA -0.159 4.482 4.640 0.002 0.000 0.222 299 D C -0.051 176.235 176.300 -0.024 0.000 1.167 299 D CA 1.309 55.292 54.000 -0.027 0.000 0.854 299 D CB -0.623 40.163 40.800 -0.024 0.000 1.107 299 D HN 0.443 nan 8.370 nan 0.000 0.421 300 E N -0.491 119.683 120.200 -0.042 0.000 2.277 300 E HA 0.670 5.022 4.350 0.002 0.000 0.266 300 E C 0.181 176.757 176.600 -0.039 0.000 0.901 300 E CA -0.715 55.660 56.400 -0.042 0.000 0.782 300 E CB 1.533 31.194 29.700 -0.066 0.000 1.228 300 E HN 0.150 nan 8.360 nan 0.000 0.424 301 A N 3.639 126.435 122.820 -0.040 0.000 2.561 301 A HA 0.213 4.534 4.320 0.002 0.000 0.234 301 A C -1.917 175.531 177.584 -0.226 0.000 1.055 301 A CA -0.582 51.407 52.037 -0.081 0.000 0.756 301 A CB -0.700 18.279 19.000 -0.035 0.000 0.986 301 A HN 0.285 nan 8.150 nan 0.000 0.505 302 P HA 0.207 nan 4.420 nan 0.000 0.272 302 P C -0.540 176.449 177.300 -0.519 0.000 1.230 302 P CA 0.111 62.801 63.100 -0.684 0.000 0.788 302 P CB 0.674 31.454 31.700 -1.533 0.000 0.949 303 E N 0.303 120.280 120.200 -0.372 0.000 2.277 303 E HA 0.485 4.836 4.350 0.002 0.000 0.266 303 E C -0.936 175.372 176.600 -0.486 0.000 0.901 303 E CA -1.076 55.095 56.400 -0.382 0.000 0.782 303 E CB 1.758 31.279 29.700 -0.299 0.000 1.228 303 E HN 0.249 nan 8.360 nan 0.000 0.424 304 L N 2.561 123.389 121.223 -0.658 0.000 2.289 304 L HA 0.488 4.829 4.340 0.002 0.000 0.285 304 L C -1.660 174.650 176.870 -0.932 0.000 1.049 304 L CA -0.014 54.490 54.840 -0.559 0.000 0.804 304 L CB 0.277 42.140 42.059 -0.327 0.000 1.195 304 L HN 0.412 nan 8.230 nan 0.000 0.428 305 F N 4.184 123.920 119.950 -0.356 0.000 2.557 305 F HA 0.460 4.988 4.527 0.002 0.000 0.316 305 F C -0.318 175.265 175.800 -0.361 0.000 1.141 305 F CA -0.954 56.709 58.000 -0.561 0.000 0.922 305 F CB 1.748 40.052 39.000 -1.160 0.000 1.194 305 F HN 0.037 nan 8.300 nan 0.000 0.443 306 V N 4.440 124.301 119.914 -0.089 0.000 2.583 306 V HA 0.235 4.356 4.120 0.002 0.000 0.287 306 V C 0.232 176.434 176.094 0.180 0.000 1.051 306 V CA -0.642 61.675 62.300 0.028 0.000 1.010 306 V CB 1.228 33.099 31.823 0.080 0.000 0.988 306 V HN 0.539 nan 8.190 nan 0.000 0.478 307 L N 6.999 128.332 121.223 0.182 0.000 2.319 307 L HA 0.333 4.674 4.340 0.002 0.000 0.280 307 L C -2.111 174.855 176.870 0.160 0.000 1.099 307 L CA -1.559 53.416 54.840 0.226 0.000 0.828 307 L CB 0.738 42.864 42.059 0.111 0.000 1.150 307 L HN 0.463 nan 8.230 nan 0.000 0.442 308 P HA 0.080 nan 4.420 nan 0.000 0.267 308 P C -2.096 175.251 177.300 0.077 0.000 1.209 308 P CA -1.042 62.126 63.100 0.112 0.000 0.763 308 P CB 0.302 32.057 31.700 0.092 0.000 0.816 309 P HA -0.220 nan 4.420 nan 0.000 0.218 309 P C 1.357 178.687 177.300 0.050 0.000 1.146 309 P CA 1.293 64.434 63.100 0.068 0.000 0.813 309 P CB -0.164 31.580 31.700 0.074 0.000 0.778 310 E N -0.069 120.157 120.200 0.042 0.000 2.338 310 E HA -0.138 4.213 4.350 0.002 0.000 0.197 310 E C 1.720 178.333 176.600 0.022 0.000 1.007 310 E CA 0.962 57.379 56.400 0.029 0.000 0.849 310 E CB -1.087 28.627 29.700 0.024 0.000 0.774 310 E HN 0.325 nan 8.360 nan 0.000 0.506 311 L N 0.941 122.177 121.223 0.022 0.000 2.446 311 L HA 0.082 4.424 4.340 0.002 0.000 0.219 311 L C 0.584 177.465 176.870 0.017 0.000 1.116 311 L CA 0.098 54.945 54.840 0.011 0.000 0.844 311 L CB 0.564 42.619 42.059 -0.005 0.000 0.970 311 L HN -0.093 nan 8.230 nan 0.000 0.457 312 V N 1.803 121.731 119.914 0.023 0.000 2.288 312 V HA 0.146 4.267 4.120 0.002 0.000 0.266 312 V C 0.017 176.137 176.094 0.044 0.000 1.048 312 V CA -0.548 61.766 62.300 0.023 0.000 0.842 312 V CB 1.172 32.999 31.823 0.007 0.000 1.064 312 V HN 0.036 nan 8.190 nan 0.000 0.472 313 L N 5.326 126.580 121.223 0.052 0.000 2.367 313 L HA 0.419 4.760 4.340 0.002 0.000 0.275 313 L C 0.215 177.124 176.870 0.064 0.000 1.129 313 L CA 0.905 55.771 54.840 0.043 0.000 0.839 313 L CB 0.458 42.538 42.059 0.035 0.000 1.133 313 L HN 0.640 nan 8.230 nan 0.000 0.453 314 E N 3.077 123.293 120.200 0.026 0.000 2.336 314 E HA 0.591 4.942 4.350 0.002 0.000 0.267 314 E C -1.507 175.039 176.600 -0.089 0.000 0.906 314 E CA -0.987 55.427 56.400 0.024 0.000 0.781 314 E CB 2.498 32.240 29.700 0.070 0.000 1.261 314 E HN 0.346 nan 8.360 nan 0.000 0.436 315 V N 3.358 123.185 119.914 -0.144 0.000 2.376 315 V HA 0.301 4.422 4.120 0.002 0.000 0.287 315 V C -2.314 173.709 176.094 -0.118 0.000 1.015 315 V CA -1.881 60.267 62.300 -0.254 0.000 0.834 315 V CB 1.364 32.766 31.823 -0.701 0.000 1.001 315 V HN 0.539 nan 8.190 nan 0.000 0.428 316 P HA 0.220 nan 4.420 nan 0.000 0.271 316 P C -0.770 176.536 177.300 0.009 0.000 1.216 316 P CA -0.040 63.032 63.100 -0.047 0.000 0.771 316 P CB 0.936 32.617 31.700 -0.032 0.000 0.864 317 L N 3.239 124.505 121.223 0.072 0.000 2.264 317 L HA 0.378 4.719 4.340 0.002 0.000 0.289 317 L C 1.171 178.192 176.870 0.252 0.000 1.044 317 L CA -0.323 54.623 54.840 0.177 0.000 0.807 317 L CB 0.519 42.747 42.059 0.281 0.000 1.192 317 L HN 0.488 nan 8.230 nan 0.000 0.425 318 E N 2.068 122.377 120.200 0.181 0.000 2.339 318 E HA 0.462 4.813 4.350 0.002 0.000 0.262 318 E C -1.151 175.453 176.600 0.006 0.000 0.934 318 E CA -0.928 55.582 56.400 0.183 0.000 0.802 318 E CB 2.179 31.967 29.700 0.146 0.000 1.275 318 E HN 0.448 nan 8.360 nan 0.000 0.427 319 H N 0.774 119.702 119.070 -0.237 0.000 2.524 319 H HA 0.232 4.789 4.556 0.002 0.000 0.353 319 H C -1.859 173.185 175.328 -0.474 0.000 1.136 319 H CA -2.406 53.350 56.048 -0.487 0.000 1.193 319 H CB 2.058 31.395 29.762 -0.708 0.000 1.558 319 H HN 0.413 nan 8.280 nan 0.000 0.515 320 P HA -0.131 nan 4.420 nan 0.000 0.216 320 P C 0.987 178.104 177.300 -0.304 0.000 1.150 320 P CA 1.864 64.454 63.100 -0.851 0.000 0.837 320 P CB 0.346 31.520 31.700 -0.876 0.000 0.786 321 T N -4.542 109.980 114.554 -0.053 0.000 2.964 321 T HA 0.221 4.572 4.350 0.002 0.000 0.249 321 T C 0.826 175.499 174.700 -0.044 0.000 1.000 321 T CA -0.192 61.904 62.100 -0.007 0.000 0.992 321 T CB -0.495 68.382 68.868 0.015 0.000 1.087 321 T HN -0.064 nan 8.240 nan 0.000 0.489 322 L N 3.357 124.522 121.223 -0.097 0.000 2.282 322 L HA 0.417 4.758 4.340 0.002 0.000 0.287 322 L C 1.315 177.855 176.870 -0.550 0.000 1.075 322 L CA -0.687 53.814 54.840 -0.566 0.000 0.839 322 L CB 1.057 42.409 42.059 -1.177 0.000 1.219 322 L HN 0.255 nan 8.230 nan 0.000 0.434 323 E N 3.212 123.204 120.200 -0.346 0.000 2.150 323 E HA -0.210 4.141 4.350 0.002 0.000 0.193 323 E C 1.702 178.258 176.600 -0.073 0.000 0.985 323 E CA 1.001 57.319 56.400 -0.137 0.000 0.814 323 E CB -0.191 29.502 29.700 -0.012 0.000 0.752 323 E HN 0.746 nan 8.360 nan 0.000 0.466 324 W N 0.013 121.366 121.300 0.089 0.000 2.525 324 W HA 0.042 4.703 4.660 0.002 0.000 0.259 324 W C 1.173 177.747 176.519 0.092 0.000 1.253 324 W CA -0.084 57.302 57.345 0.068 0.000 1.262 324 W CB -0.883 28.596 29.460 0.032 0.000 1.122 324 W HN -0.022 nan 8.180 nan 0.000 0.607 325 F N 2.921 122.691 119.950 -0.300 0.000 2.134 325 F HA -0.097 4.431 4.527 0.002 0.000 0.299 325 F C 2.725 178.550 175.800 0.041 0.000 1.097 325 F CA 2.776 60.684 58.000 -0.154 0.000 1.264 325 F CB -0.674 38.077 39.000 -0.414 0.000 1.001 325 F HN -0.083 nan 8.300 nan 0.000 0.479 326 A N 0.155 123.123 122.820 0.248 0.000 1.986 326 A HA -0.157 4.165 4.320 0.002 0.000 0.220 326 A C 2.304 179.953 177.584 0.108 0.000 1.171 326 A CA 1.726 53.869 52.037 0.177 0.000 0.640 326 A CB -1.502 17.574 19.000 0.126 0.000 0.811 326 A HN 0.447 nan 8.150 nan 0.000 0.451 327 A N -0.586 122.305 122.820 0.118 0.000 2.172 327 A HA 0.136 4.457 4.320 0.002 0.000 0.216 327 A C 1.893 179.515 177.584 0.065 0.000 1.154 327 A CA 0.969 53.065 52.037 0.098 0.000 0.701 327 A CB -0.553 18.523 19.000 0.128 0.000 0.789 327 A HN 0.496 nan 8.150 nan 0.000 0.465 328 L N -1.111 120.123 121.223 0.017 0.000 2.362 328 L HA -0.017 4.324 4.340 0.002 0.000 0.219 328 L C 1.908 178.793 176.870 0.025 0.000 1.134 328 L CA 0.674 55.494 54.840 -0.033 0.000 0.807 328 L CB -0.545 41.381 42.059 -0.221 0.000 0.927 328 L HN 0.575 nan 8.230 nan 0.000 0.447 329 G N 0.094 108.916 108.800 0.037 0.000 2.168 329 G HA2 -0.280 3.681 3.960 0.002 0.000 0.257 329 G HA3 -0.280 3.681 3.960 0.002 0.000 0.257 329 G C 0.078 174.987 174.900 0.015 0.000 0.997 329 G CA -0.148 44.985 45.100 0.054 0.000 0.708 329 G HN 0.109 nan 8.290 nan 0.000 0.520 330 L N 0.544 121.756 121.223 -0.019 0.000 2.426 330 L HA 0.663 5.004 4.340 0.002 0.000 0.271 330 L C 1.110 177.798 176.870 -0.302 0.000 1.169 330 L CA 0.123 54.886 54.840 -0.129 0.000 0.836 330 L CB 0.702 42.771 42.059 0.017 0.000 1.112 330 L HN 0.647 nan 8.230 nan 0.000 0.465 331 R N 2.296 122.392 120.500 -0.673 0.000 2.716 331 R HA 0.530 4.871 4.340 0.002 0.000 0.271 331 R C -1.816 174.416 176.300 -0.113 0.000 1.028 331 R CA -0.935 54.930 56.100 -0.393 0.000 0.883 331 R CB 1.647 31.673 30.300 -0.456 0.000 1.250 331 R HN 0.594 nan 8.270 nan 0.000 0.465 332 W N 1.862 123.109 121.300 -0.087 0.000 3.118 332 W HA 0.379 5.040 4.660 0.002 0.000 0.328 332 W C -1.262 175.337 176.519 0.134 0.000 1.239 332 W CA -0.985 56.403 57.345 0.071 0.000 1.176 332 W CB 2.116 31.545 29.460 -0.053 0.000 1.433 332 W HN 0.693 nan 8.180 nan 0.000 0.562 333 Y N 0.746 120.975 120.300 -0.118 0.000 2.316 333 Y HA 0.604 5.155 4.550 0.002 0.000 0.324 333 Y C 0.789 176.913 175.900 0.374 0.000 1.267 333 Y CA -0.135 57.974 58.100 0.015 0.000 1.311 333 Y CB 0.319 38.651 38.460 -0.213 0.000 1.267 333 Y HN 0.350 nan 8.280 nan 0.000 0.516 334 A N 1.692 124.781 122.820 0.448 0.000 2.016 334 A HA 0.070 4.391 4.320 0.002 0.000 0.217 334 A C 0.385 178.323 177.584 0.589 0.000 1.162 334 A CA 0.584 52.920 52.037 0.498 0.000 0.662 334 A CB -0.268 18.873 19.000 0.236 0.000 0.812 334 A HN 0.637 nan 8.150 nan 0.000 0.450 335 L N 1.581 123.122 121.223 0.529 0.000 2.294 335 L HA 0.474 4.815 4.340 0.002 0.000 0.283 335 L C -2.734 174.281 176.870 0.242 0.000 1.015 335 L CA -2.459 52.571 54.840 0.315 0.000 0.831 335 L CB 1.798 43.981 42.059 0.206 0.000 1.217 335 L HN -0.075 nan 8.230 nan 0.000 0.420 336 P HA 0.404 nan 4.420 nan 0.000 0.292 336 P C -1.439 175.772 177.300 -0.149 0.000 1.326 336 P CA -0.348 62.607 63.100 -0.242 0.000 0.787 336 P CB 1.425 32.615 31.700 -0.849 0.000 0.903 337 A N 4.323 127.066 122.820 -0.128 0.000 2.522 337 A HA 0.436 4.757 4.320 0.002 0.000 0.285 337 A C -0.385 176.986 177.584 -0.355 0.000 1.198 337 A CA -0.641 51.257 52.037 -0.231 0.000 0.742 337 A CB 0.784 19.680 19.000 -0.174 0.000 1.176 337 A HN 0.290 nan 8.150 nan 0.000 0.444 338 V N 2.760 122.280 119.914 -0.655 0.000 2.555 338 V HA 0.313 4.434 4.120 0.002 0.000 0.286 338 V C 1.240 176.952 176.094 -0.637 0.000 1.044 338 V CA 1.077 62.953 62.300 -0.706 0.000 1.026 338 V CB 1.210 32.417 31.823 -1.028 0.000 0.981 338 V HN 1.119 nan 8.190 nan 0.000 0.480 339 S N 1.626 117.151 115.700 -0.292 0.000 2.733 339 S HA 0.049 4.520 4.470 0.002 0.000 0.247 339 S C 0.773 175.367 174.600 -0.011 0.000 1.043 339 S CA 0.105 58.222 58.200 -0.138 0.000 1.066 339 S CB -0.364 62.782 63.200 -0.090 0.000 1.045 339 S HN 0.908 nan 8.310 nan 0.000 0.586 340 N N 0.374 119.072 118.700 -0.003 0.000 2.187 340 N HA 0.313 5.054 4.740 0.002 0.000 0.212 340 N C 0.109 175.686 175.510 0.111 0.000 1.152 340 N CA -0.496 52.593 53.050 0.066 0.000 0.872 340 N CB 0.151 38.678 38.487 0.065 0.000 1.025 340 N HN 0.268 nan 8.380 nan 0.000 0.514 341 M N 1.313 120.998 119.600 0.143 0.000 2.444 341 M HA 0.330 4.811 4.480 0.002 0.000 0.319 341 M C -0.675 175.788 176.300 0.270 0.000 1.183 341 M CA -0.883 54.553 55.300 0.226 0.000 1.032 341 M CB 2.430 35.206 32.600 0.294 0.000 1.569 341 M HN 0.113 nan 8.290 nan 0.000 0.468 342 L N 2.835 124.195 121.223 0.229 0.000 2.295 342 L HA 0.516 4.857 4.340 0.002 0.000 0.285 342 L C -1.298 175.686 176.870 0.190 0.000 1.035 342 L CA -0.871 54.082 54.840 0.188 0.000 0.806 342 L CB 1.094 43.212 42.059 0.098 0.000 1.214 342 L HN 0.595 nan 8.230 nan 0.000 0.426 343 L N 5.347 126.677 121.223 0.178 0.000 2.264 343 L HA 0.449 4.790 4.340 0.002 0.000 0.289 343 L C -0.475 176.404 176.870 0.016 0.000 1.044 343 L CA 0.284 55.096 54.840 -0.047 0.000 0.807 343 L CB 1.076 43.089 42.059 -0.076 0.000 1.192 343 L HN 0.644 nan 8.230 nan 0.000 0.425 344 E N 6.793 126.917 120.200 -0.127 0.000 2.145 344 E HA 0.391 4.742 4.350 0.002 0.000 0.270 344 E C -1.597 174.915 176.600 -0.146 0.000 0.906 344 E CA -0.429 55.919 56.400 -0.087 0.000 0.761 344 E CB 1.100 30.745 29.700 -0.092 0.000 1.116 344 E HN 0.737 nan 8.360 nan 0.000 0.408 345 I N 2.809 123.305 120.570 -0.123 0.000 2.500 345 I HA 0.269 4.440 4.170 0.002 0.000 0.286 345 I C 0.772 176.668 176.117 -0.368 0.000 1.063 345 I CA -0.662 60.438 61.300 -0.333 0.000 1.062 345 I CB 1.945 39.712 38.000 -0.388 0.000 1.223 345 I HN 0.802 nan 8.210 nan 0.000 0.435 346 G N 4.156 112.745 108.800 -0.352 0.000 2.283 346 G HA2 -0.139 3.822 3.960 0.002 0.000 0.280 346 G HA3 -0.139 3.822 3.960 0.002 0.000 0.280 346 G C 1.005 175.957 174.900 0.086 0.000 1.029 346 G CA 0.711 45.777 45.100 -0.057 0.000 0.840 346 G HN 1.555 nan 8.290 nan 0.000 0.505 347 G N -2.062 106.741 108.800 0.004 0.000 2.217 347 G HA2 -0.221 3.740 3.960 0.002 0.000 0.246 347 G HA3 -0.221 3.740 3.960 0.002 0.000 0.246 347 G C 0.469 175.325 174.900 -0.073 0.000 0.990 347 G CA 0.480 45.586 45.100 0.010 0.000 0.627 347 G HN 1.322 nan 8.290 nan 0.000 0.522 348 L N 0.935 122.062 121.223 -0.160 0.000 2.350 348 L HA 0.613 4.954 4.340 0.002 0.000 0.275 348 L C 0.267 176.901 176.870 -0.393 0.000 1.099 348 L CA -0.552 54.073 54.840 -0.358 0.000 0.808 348 L CB 1.143 42.882 42.059 -0.534 0.000 1.149 348 L HN 0.184 nan 8.230 nan 0.000 0.442 349 E N 2.624 122.520 120.200 -0.506 0.000 2.176 349 E HA 0.405 4.756 4.350 0.002 0.000 0.267 349 E C -1.530 174.764 176.600 -0.510 0.000 0.893 349 E CA -0.458 55.735 56.400 -0.344 0.000 0.761 349 E CB 1.866 31.462 29.700 -0.173 0.000 1.133 349 E HN 0.270 nan 8.360 nan 0.000 0.409 350 F N 1.800 121.722 119.950 -0.047 0.000 2.325 350 F HA 0.110 4.638 4.527 0.002 0.000 0.369 350 F C 1.443 177.281 175.800 0.062 0.000 1.095 350 F CA -0.533 57.465 58.000 -0.002 0.000 1.082 350 F CB 1.297 40.278 39.000 -0.032 0.000 1.289 350 F HN 0.439 nan 8.300 nan 0.000 0.462 351 S N 1.336 117.147 115.700 0.186 0.000 2.453 351 S HA 0.228 4.699 4.470 0.002 0.000 0.231 351 S C 0.817 175.551 174.600 0.223 0.000 1.005 351 S CA 0.340 58.643 58.200 0.173 0.000 0.949 351 S CB 0.082 63.365 63.200 0.138 0.000 0.774 351 S HN 0.500 nan 8.310 nan 0.000 0.510 352 A N 0.551 123.546 122.820 0.291 0.000 2.340 352 A HA 0.838 5.159 4.320 0.002 0.000 0.297 352 A C -0.210 177.622 177.584 0.412 0.000 1.195 352 A CA -0.232 52.003 52.037 0.330 0.000 0.769 352 A CB 1.065 20.240 19.000 0.292 0.000 1.163 352 A HN 0.985 nan 8.150 nan 0.000 0.472 353 A N 4.230 127.251 122.820 0.336 0.000 3.399 353 A HA 0.626 4.947 4.320 0.002 0.000 0.262 353 A C -3.109 174.653 177.584 0.296 0.000 1.145 353 A CA -0.885 51.320 52.037 0.280 0.000 0.916 353 A CB 0.434 19.592 19.000 0.265 0.000 1.360 353 A HN 0.507 nan 8.150 nan 0.000 0.628 354 P HA 0.528 nan 4.420 nan 0.000 0.275 354 P C -0.784 176.554 177.300 0.064 0.000 1.227 354 P CA 0.220 63.308 63.100 -0.019 0.000 0.781 354 P CB 0.448 32.077 31.700 -0.117 0.000 0.906 355 F N -0.620 119.285 119.950 -0.074 0.000 2.599 355 F HA 0.771 5.299 4.527 0.002 0.000 0.311 355 F C -0.709 175.025 175.800 -0.110 0.000 1.076 355 F CA -1.143 56.819 58.000 -0.063 0.000 0.937 355 F CB 1.655 40.502 39.000 -0.255 0.000 1.282 355 F HN 0.377 nan 8.300 nan 0.000 0.460 356 S N 0.390 116.181 115.700 0.151 0.000 2.546 356 S HA 0.934 5.405 4.470 0.002 0.000 0.274 356 S C -0.682 173.881 174.600 -0.062 0.000 1.121 356 S CA -0.198 58.021 58.200 0.032 0.000 0.887 356 S CB 1.477 64.773 63.200 0.161 0.000 1.094 356 S HN 1.396 nan 8.310 nan 0.000 0.474 357 G N 0.277 108.986 108.800 -0.151 0.000 3.377 357 G HA2 0.757 4.718 3.960 0.002 0.000 0.182 357 G HA3 0.757 4.718 3.960 0.002 0.000 0.182 357 G C -1.338 173.555 174.900 -0.011 0.000 1.166 357 G CA -0.457 44.492 45.100 -0.253 0.000 0.771 357 G HN 1.034 nan 8.290 nan 0.000 0.701 358 W N -1.676 119.627 121.300 0.005 0.000 3.029 358 W HA 0.812 5.473 4.660 0.002 0.000 0.339 358 W C -1.673 174.843 176.519 -0.004 0.000 1.198 358 W CA -2.156 55.205 57.345 0.026 0.000 1.148 358 W CB 0.457 29.979 29.460 0.103 0.000 1.451 358 W HN 0.370 nan 8.180 nan 0.000 0.564 359 Y N 2.482 122.978 120.300 0.326 0.000 2.336 359 Y HA 0.288 4.839 4.550 0.002 0.000 0.331 359 Y C 0.848 176.819 175.900 0.119 0.000 1.211 359 Y CA -0.682 57.488 58.100 0.117 0.000 1.346 359 Y CB 1.196 39.627 38.460 -0.049 0.000 1.271 359 Y HN 0.431 nan 8.280 nan 0.000 0.538 360 M N 2.093 121.852 119.600 0.265 0.000 2.264 360 M HA 0.190 4.671 4.480 0.002 0.000 0.352 360 M C 1.014 177.321 176.300 0.012 0.000 1.173 360 M CA -0.203 55.180 55.300 0.138 0.000 1.075 360 M CB 1.098 33.758 32.600 0.099 0.000 1.621 360 M HN 0.827 nan 8.290 nan 0.000 0.457 361 S N 1.039 116.702 115.700 -0.061 0.000 2.400 361 S HA -0.165 4.306 4.470 0.002 0.000 0.232 361 S C 1.513 175.974 174.600 -0.231 0.000 1.025 361 S CA 1.885 59.965 58.200 -0.200 0.000 0.993 361 S CB -1.274 61.845 63.200 -0.136 0.000 0.808 361 S HN 0.929 nan 8.310 nan 0.000 0.478 362 T N 0.458 114.903 114.554 -0.181 0.000 2.881 362 T HA -0.051 4.300 4.350 0.002 0.000 0.270 362 T C 1.544 176.096 174.700 -0.247 0.000 1.068 362 T CA 1.246 63.195 62.100 -0.253 0.000 1.131 362 T CB -0.582 68.095 68.868 -0.319 0.000 0.871 362 T HN 0.595 nan 8.240 nan 0.000 0.479 363 E N 1.005 121.083 120.200 -0.203 0.000 2.077 363 E HA -0.043 4.308 4.350 0.002 0.000 0.193 363 E C 2.090 178.449 176.600 -0.402 0.000 0.989 363 E CA 1.401 57.687 56.400 -0.190 0.000 0.800 363 E CB -0.331 29.385 29.700 0.027 0.000 0.746 363 E HN 0.588 nan 8.360 nan 0.000 0.452 364 I N 0.349 120.542 120.570 -0.628 0.000 2.270 364 I HA -0.074 4.097 4.170 0.002 0.000 0.239 364 I C 2.602 178.365 176.117 -0.590 0.000 1.080 364 I CA 1.025 61.768 61.300 -0.928 0.000 1.383 364 I CB -0.526 36.809 38.000 -1.107 0.000 1.097 364 I HN 0.114 nan 8.210 nan 0.000 0.420 365 G N 0.167 108.726 108.800 -0.402 0.000 2.408 365 G HA2 -0.161 3.800 3.960 0.002 0.000 0.217 365 G HA3 -0.161 3.800 3.960 0.002 0.000 0.217 365 G C 1.635 176.420 174.900 -0.192 0.000 1.150 365 G CA 1.498 46.452 45.100 -0.244 0.000 0.776 365 G HN 0.306 nan 8.290 nan 0.000 0.542 366 T N -0.216 114.207 114.554 -0.219 0.000 2.988 366 T HA 0.121 4.472 4.350 0.002 0.000 0.240 366 T C 2.508 177.108 174.700 -0.167 0.000 1.014 366 T CA 0.225 62.220 62.100 -0.176 0.000 1.155 366 T CB 0.138 68.887 68.868 -0.198 0.000 0.872 366 T HN 0.012 nan 8.240 nan 0.000 0.440 367 R N 1.741 122.121 120.500 -0.199 0.000 2.052 367 R HA 0.118 4.459 4.340 0.002 0.000 0.224 367 R C 2.011 178.207 176.300 -0.173 0.000 1.149 367 R CA 1.126 57.123 56.100 -0.172 0.000 0.962 367 R CB -0.989 29.215 30.300 -0.161 0.000 0.856 367 R HN 0.326 nan 8.270 nan 0.000 0.433 368 D N 0.952 121.201 120.400 -0.253 0.000 2.117 368 D HA -0.083 4.558 4.640 0.002 0.000 0.197 368 D C 2.061 178.298 176.300 -0.106 0.000 0.987 368 D CA 1.035 54.890 54.000 -0.242 0.000 0.829 368 D CB -0.009 40.338 40.800 -0.756 0.000 0.961 368 D HN 0.145 nan 8.370 nan 0.000 0.460 369 L N -0.564 120.544 121.223 -0.192 0.000 2.298 369 L HA 0.053 4.394 4.340 0.002 0.000 0.209 369 L C 1.980 178.873 176.870 0.038 0.000 1.084 369 L CA 0.353 55.172 54.840 -0.035 0.000 0.816 369 L CB 0.293 42.297 42.059 -0.091 0.000 0.967 369 L HN 0.065 nan 8.230 nan 0.000 0.460 370 C N -1.433 117.853 119.300 -0.024 0.000 2.791 370 C HA 0.138 4.599 4.460 0.002 0.000 0.288 370 C C 0.743 175.724 174.990 -0.015 0.000 1.271 370 C CA -0.851 58.166 59.018 -0.002 0.000 1.726 370 C CB -0.253 27.472 27.740 -0.025 0.000 2.145 370 C HN 0.318 nan 8.230 nan 0.000 0.572 371 D N 2.756 123.117 120.400 -0.064 0.000 2.525 371 D HA 0.013 4.654 4.640 0.002 0.000 0.235 371 D C -1.190 175.084 176.300 -0.043 0.000 1.137 371 D CA -0.983 52.960 54.000 -0.096 0.000 0.868 371 D CB 0.535 41.147 40.800 -0.313 0.000 1.180 371 D HN 0.220 nan 8.370 nan 0.000 0.465 372 P HA -0.146 nan 4.420 nan 0.000 0.220 372 P C 0.745 178.121 177.300 0.126 0.000 1.148 372 P CA 1.276 64.441 63.100 0.108 0.000 0.803 372 P CB -0.012 31.768 31.700 0.134 0.000 0.782 373 H N -2.247 116.833 119.070 0.018 0.000 2.517 373 H HA 0.347 4.904 4.556 0.002 0.000 0.282 373 H C 0.924 176.259 175.328 0.012 0.000 1.023 373 H CA -0.268 55.788 56.048 0.012 0.000 1.169 373 H CB -0.013 29.756 29.762 0.012 0.000 1.454 373 H HN -0.033 nan 8.280 nan 0.000 0.556 374 R N -0.106 120.264 120.500 -0.217 0.000 2.769 374 R HA 0.176 4.517 4.340 0.002 0.000 0.117 374 R C 1.091 177.353 176.300 -0.063 0.000 1.152 374 R CA -0.672 55.347 56.100 -0.134 0.000 0.887 374 R CB -0.828 29.409 30.300 -0.105 0.000 1.099 374 R HN 0.105 nan 8.270 nan 0.000 0.398 375 Y N 1.640 121.952 120.300 0.021 0.000 2.439 375 Y HA -0.020 4.531 4.550 0.002 0.000 0.292 375 Y C 0.800 176.722 175.900 0.036 0.000 1.130 375 Y CA 1.208 59.338 58.100 0.050 0.000 1.254 375 Y CB -0.195 38.336 38.460 0.118 0.000 1.000 375 Y HN 0.550 nan 8.280 nan 0.000 0.554 376 N N 0.925 119.710 118.700 0.143 0.000 2.725 376 N HA -0.225 4.516 4.740 0.002 0.000 0.251 376 N C 0.580 176.165 175.510 0.124 0.000 1.031 376 N CA 0.406 53.517 53.050 0.102 0.000 0.720 376 N CB -1.049 37.481 38.487 0.072 0.000 0.930 376 N HN 0.637 nan 8.380 nan 0.000 0.543 377 I N -3.511 117.142 120.570 0.139 0.000 3.578 377 I HA -0.016 4.155 4.170 0.002 0.000 0.295 377 I C 1.895 178.095 176.117 0.138 0.000 1.280 377 I CA -0.310 61.069 61.300 0.131 0.000 1.347 377 I CB -0.073 38.003 38.000 0.128 0.000 1.051 377 I HN 0.076 nan 8.210 nan 0.000 0.460 378 L N 1.796 123.114 121.223 0.159 0.000 1.997 378 L HA -0.245 4.096 4.340 0.002 0.000 0.216 378 L C 2.600 179.655 176.870 0.309 0.000 1.074 378 L CA 2.005 56.976 54.840 0.219 0.000 0.763 378 L CB -1.091 41.084 42.059 0.192 0.000 0.890 378 L HN 0.433 nan 8.230 nan 0.000 0.434 379 E N -1.013 119.362 120.200 0.292 0.000 2.077 379 E HA -0.225 4.126 4.350 0.002 0.000 0.193 379 E C 1.751 178.369 176.600 0.030 0.000 0.989 379 E CA 1.255 57.758 56.400 0.172 0.000 0.800 379 E CB 0.069 29.818 29.700 0.082 0.000 0.746 379 E HN 0.530 nan 8.360 nan 0.000 0.452 380 D N -0.057 120.366 120.400 0.040 0.000 2.117 380 D HA -0.146 4.495 4.640 0.002 0.000 0.197 380 D C 2.062 178.345 176.300 -0.027 0.000 0.987 380 D CA 0.914 54.905 54.000 -0.015 0.000 0.829 380 D CB -0.191 40.610 40.800 0.001 0.000 0.961 380 D HN 0.093 nan 8.370 nan 0.000 0.460 381 V N 1.564 121.519 119.914 0.068 0.000 2.343 381 V HA -0.220 3.901 4.120 0.002 0.000 0.247 381 V C 2.579 178.737 176.094 0.108 0.000 1.051 381 V CA 1.727 64.115 62.300 0.146 0.000 1.036 381 V CB -0.833 31.159 31.823 0.281 0.000 0.654 381 V HN 0.169 nan 8.190 nan 0.000 0.451 382 A N -0.173 122.724 122.820 0.129 0.000 1.902 382 A HA -0.160 4.161 4.320 0.002 0.000 0.217 382 A C 2.400 179.941 177.584 -0.071 0.000 1.181 382 A CA 2.115 54.216 52.037 0.107 0.000 0.623 382 A CB -0.671 18.452 19.000 0.205 0.000 0.818 382 A HN 0.340 nan 8.150 nan 0.000 0.443 383 V N -0.792 119.031 119.914 -0.152 0.000 2.358 383 V HA -0.299 3.822 4.120 0.002 0.000 0.246 383 V C 2.631 178.554 176.094 -0.286 0.000 1.047 383 V CA 1.963 64.136 62.300 -0.212 0.000 1.035 383 V CB -1.026 30.677 31.823 -0.201 0.000 0.658 383 V HN 0.720 nan 8.190 nan 0.000 0.452 384 C N -0.343 118.708 119.300 -0.414 0.000 2.413 384 C HA -0.176 4.285 4.460 0.002 0.000 0.277 384 C C 2.679 177.202 174.990 -0.778 0.000 1.265 384 C CA 1.050 59.558 59.018 -0.850 0.000 1.752 384 C CB -1.056 25.791 27.740 -1.489 0.000 1.998 384 C HN 0.523 nan 8.230 nan 0.000 0.489 385 M N 0.074 119.483 119.600 -0.319 0.000 2.619 385 M HA 0.005 4.486 4.480 0.002 0.000 0.251 385 M C 0.628 176.909 176.300 -0.033 0.000 1.106 385 M CA 0.955 56.258 55.300 0.004 0.000 1.086 385 M CB -0.380 32.323 32.600 0.172 0.000 1.465 385 M HN 0.274 nan 8.290 nan 0.000 0.506 386 D N 1.361 121.689 120.400 -0.120 0.000 2.723 386 D HA -0.154 4.487 4.640 0.002 0.000 0.236 386 D C -0.874 175.396 176.300 -0.050 0.000 1.138 386 D CA 0.461 54.404 54.000 -0.095 0.000 0.676 386 D CB -1.024 39.730 40.800 -0.077 0.000 1.069 386 D HN 0.297 nan 8.370 nan 0.000 0.430 387 L N -0.116 121.082 121.223 -0.041 0.000 2.421 387 L HA 0.338 4.679 4.340 0.002 0.000 0.263 387 L C 0.989 177.812 176.870 -0.077 0.000 1.122 387 L CA -0.722 54.118 54.840 0.000 0.000 0.804 387 L CB 0.556 42.676 42.059 0.101 0.000 1.150 387 L HN 0.022 nan 8.230 nan 0.000 0.457 388 D N 0.360 120.737 120.400 -0.038 0.000 2.359 388 D HA 0.036 4.677 4.640 0.002 0.000 0.250 388 D C 0.612 176.775 176.300 -0.228 0.000 1.264 388 D CA 0.063 54.009 54.000 -0.090 0.000 0.911 388 D CB 0.953 41.745 40.800 -0.013 0.000 1.056 388 D HN 0.423 nan 8.370 nan 0.000 0.499 389 T N 3.593 117.865 114.554 -0.470 0.000 3.148 389 T HA 0.038 4.389 4.350 0.002 0.000 0.253 389 T C 1.762 176.177 174.700 -0.476 0.000 1.134 389 T CA 0.196 61.704 62.100 -0.987 0.000 1.051 389 T CB 0.143 68.384 68.868 -1.046 0.000 0.959 389 T HN 0.357 nan 8.240 nan 0.000 0.525 390 R N 0.734 121.115 120.500 -0.199 0.000 2.153 390 R HA 0.077 4.418 4.340 0.002 0.000 0.218 390 R C 1.148 177.475 176.300 0.045 0.000 1.072 390 R CA 0.715 56.776 56.100 -0.065 0.000 0.990 390 R CB 0.137 30.409 30.300 -0.047 0.000 0.889 390 R HN 0.148 nan 8.270 nan 0.000 0.452 391 T N -1.300 113.326 114.554 0.121 0.000 2.909 391 T HA 0.130 4.481 4.350 0.002 0.000 0.299 391 T C 1.037 175.922 174.700 0.308 0.000 1.073 391 T CA -0.640 61.563 62.100 0.173 0.000 0.999 391 T CB 1.906 70.836 68.868 0.104 0.000 1.098 391 T HN 0.193 nan 8.240 nan 0.000 0.477 392 T N 0.412 115.096 114.554 0.216 0.000 2.951 392 T HA -0.050 4.301 4.350 0.002 0.000 0.268 392 T C 2.079 176.821 174.700 0.069 0.000 1.073 392 T CA 1.393 63.569 62.100 0.127 0.000 1.134 392 T CB -0.548 68.343 68.868 0.039 0.000 0.884 392 T HN 0.666 nan 8.240 nan 0.000 0.479 393 S N 2.130 117.881 115.700 0.084 0.000 2.515 393 S HA -0.052 4.419 4.470 0.002 0.000 0.231 393 S C 2.113 176.756 174.600 0.073 0.000 0.987 393 S CA 0.747 58.981 58.200 0.057 0.000 0.936 393 S CB -0.825 62.403 63.200 0.046 0.000 0.766 393 S HN 0.720 nan 8.310 nan 0.000 0.528 394 S N 1.786 117.564 115.700 0.130 0.000 2.561 394 S HA 0.176 4.647 4.470 0.002 0.000 0.225 394 S C 0.997 175.674 174.600 0.129 0.000 0.977 394 S CA 0.287 58.573 58.200 0.143 0.000 0.926 394 S CB -1.063 62.255 63.200 0.197 0.000 0.769 394 S HN 0.660 nan 8.310 nan 0.000 0.533 395 L N 0.691 121.952 121.223 0.064 0.000 3.737 395 L HA -0.187 4.154 4.340 0.002 0.000 0.418 395 L C 1.691 178.557 176.870 -0.007 0.000 1.216 395 L CA 0.737 55.555 54.840 -0.036 0.000 0.915 395 L CB -2.558 39.492 42.059 -0.015 0.000 1.834 395 L HN 0.745 nan 8.230 nan 0.000 0.943 396 W N 0.123 121.434 121.300 0.018 0.000 2.350 396 W HA -0.169 4.491 4.660 0.001 0.000 0.289 396 W C 1.717 178.252 176.519 0.027 0.000 1.215 396 W CA 1.383 58.741 57.345 0.022 0.000 1.236 396 W CB -0.707 28.762 29.460 0.015 0.000 1.130 396 W HN 0.305 nan 8.180 nan 0.000 0.541 397 K N 1.129 121.114 120.400 -0.693 0.000 2.025 397 K HA -0.157 4.164 4.320 0.002 0.000 0.207 397 K C 1.530 177.998 176.600 -0.220 0.000 1.049 397 K CA 2.334 58.248 56.287 -0.623 0.000 0.933 397 K CB -0.444 31.527 32.500 -0.881 0.000 0.714 397 K HN 0.077 nan 8.250 nan 0.000 0.438 398 D N 0.861 121.149 120.400 -0.187 0.000 2.117 398 D HA -0.133 4.508 4.640 0.002 0.000 0.197 398 D C 1.735 178.027 176.300 -0.014 0.000 0.987 398 D CA 1.250 55.198 54.000 -0.087 0.000 0.829 398 D CB -0.004 40.751 40.800 -0.075 0.000 0.961 398 D HN 0.127 nan 8.370 nan 0.000 0.460 399 K N 0.391 120.806 120.400 0.026 0.000 2.057 399 K HA -0.006 4.315 4.320 0.002 0.000 0.206 399 K C 2.207 178.872 176.600 0.108 0.000 1.050 399 K CA 1.114 57.447 56.287 0.077 0.000 0.935 399 K CB -0.135 32.431 32.500 0.109 0.000 0.715 399 K HN 0.099 nan 8.250 nan 0.000 0.439 400 A N 1.453 124.358 122.820 0.141 0.000 1.898 400 A HA -0.073 4.248 4.320 0.002 0.000 0.216 400 A C 2.359 180.026 177.584 0.138 0.000 1.181 400 A CA 1.696 53.844 52.037 0.185 0.000 0.620 400 A CB -0.625 18.527 19.000 0.253 0.000 0.819 400 A HN 0.323 nan 8.150 nan 0.000 0.442 401 A N -0.460 122.401 122.820 0.069 0.000 1.902 401 A HA -0.021 4.300 4.320 0.002 0.000 0.217 401 A C 2.225 179.824 177.584 0.026 0.000 1.181 401 A CA 1.782 53.836 52.037 0.028 0.000 0.623 401 A CB -0.983 17.997 19.000 -0.033 0.000 0.818 401 A HN 0.374 nan 8.150 nan 0.000 0.443 402 V N 0.472 120.407 119.914 0.034 0.000 2.287 402 V HA -0.254 3.867 4.120 0.002 0.000 0.248 402 V C 2.597 178.729 176.094 0.063 0.000 1.053 402 V CA 2.289 64.615 62.300 0.044 0.000 1.027 402 V CB -0.710 31.146 31.823 0.054 0.000 0.646 402 V HN 0.549 nan 8.190 nan 0.000 0.447 403 E N -0.224 120.037 120.200 0.100 0.000 2.106 403 E HA -0.145 4.206 4.350 0.002 0.000 0.192 403 E C 2.110 178.760 176.600 0.084 0.000 0.984 403 E CA 1.224 57.706 56.400 0.136 0.000 0.806 403 E CB -0.331 29.429 29.700 0.100 0.000 0.750 403 E HN 0.602 nan 8.360 nan 0.000 0.458 404 I N 1.407 122.049 120.570 0.120 0.000 2.226 404 I HA -0.292 3.880 4.170 0.002 0.000 0.245 404 I C 1.776 177.892 176.117 -0.002 0.000 1.100 404 I CA 1.164 62.540 61.300 0.127 0.000 1.374 404 I CB -0.323 37.795 38.000 0.196 0.000 1.057 404 I HN 0.040 nan 8.210 nan 0.000 0.413 405 N N 0.511 119.198 118.700 -0.021 0.000 2.166 405 N HA -0.175 4.566 4.740 0.002 0.000 0.186 405 N C 1.687 177.161 175.510 -0.059 0.000 1.019 405 N CA 0.863 53.876 53.050 -0.061 0.000 0.856 405 N CB -0.214 38.237 38.487 -0.061 0.000 0.993 405 N HN 0.150 nan 8.380 nan 0.000 0.426 406 L N 0.762 121.951 121.223 -0.057 0.000 2.046 406 L HA -0.024 4.317 4.340 0.002 0.000 0.208 406 L C 2.017 178.761 176.870 -0.210 0.000 1.077 406 L CA 1.389 56.157 54.840 -0.119 0.000 0.747 406 L CB -0.837 41.138 42.059 -0.140 0.000 0.896 406 L HN 0.168 nan 8.230 nan 0.000 0.432 407 A N -1.320 121.336 122.820 -0.274 0.000 1.933 407 A HA -0.155 4.166 4.320 0.002 0.000 0.218 407 A C 2.261 179.784 177.584 -0.103 0.000 1.175 407 A CA 1.959 53.786 52.037 -0.350 0.000 0.628 407 A CB -1.054 17.468 19.000 -0.796 0.000 0.814 407 A HN 0.298 nan 8.150 nan 0.000 0.444 408 V N -0.061 119.813 119.914 -0.066 0.000 2.261 408 V HA -0.275 3.846 4.120 0.002 0.000 0.246 408 V C 2.580 178.690 176.094 0.027 0.000 1.047 408 V CA 2.078 64.372 62.300 -0.010 0.000 1.015 408 V CB -0.812 30.920 31.823 -0.151 0.000 0.642 408 V HN 0.570 nan 8.190 nan 0.000 0.446 409 L N -0.601 120.606 121.223 -0.028 0.000 2.017 409 L HA -0.230 4.111 4.340 0.002 0.000 0.208 409 L C 2.630 179.535 176.870 0.059 0.000 1.073 409 L CA 2.222 57.063 54.840 0.003 0.000 0.745 409 L CB -0.813 41.242 42.059 -0.006 0.000 0.894 409 L HN 0.472 nan 8.230 nan 0.000 0.432 410 H N -0.467 118.564 119.070 -0.066 0.000 2.352 410 H HA -0.157 4.400 4.556 0.002 0.000 0.299 410 H C 2.312 177.627 175.328 -0.022 0.000 1.097 410 H CA 2.034 58.034 56.048 -0.081 0.000 1.311 410 H CB 0.047 29.695 29.762 -0.190 0.000 1.377 410 H HN 0.179 nan 8.280 nan 0.000 0.504 411 S N -0.514 115.162 115.700 -0.040 0.000 2.368 411 S HA -0.077 4.394 4.470 0.002 0.000 0.224 411 S C 1.850 176.434 174.600 -0.027 0.000 1.029 411 S CA 1.032 59.192 58.200 -0.067 0.000 0.988 411 S CB -0.357 62.882 63.200 0.065 0.000 0.838 411 S HN 0.318 nan 8.310 nan 0.000 0.462 412 F N 1.972 121.867 119.950 -0.091 0.000 2.146 412 F HA -0.063 4.466 4.527 0.002 0.000 0.298 412 F C 2.639 178.387 175.800 -0.087 0.000 1.096 412 F CA 0.966 58.932 58.000 -0.056 0.000 1.275 412 F CB -0.655 38.337 39.000 -0.012 0.000 1.008 412 F HN 0.172 nan 8.300 nan 0.000 0.480 413 Q N -0.436 119.398 119.800 0.057 0.000 2.084 413 Q HA -0.210 4.131 4.340 0.002 0.000 0.202 413 Q C 2.214 178.147 176.000 -0.110 0.000 0.978 413 Q CA 1.455 57.237 55.803 -0.035 0.000 0.844 413 Q CB -0.438 28.274 28.738 -0.044 0.000 0.898 413 Q HN 0.328 nan 8.270 nan 0.000 0.426 414 L N 0.069 121.163 121.223 -0.214 0.000 2.017 414 L HA -0.105 4.236 4.340 0.002 0.000 0.208 414 L C 1.888 178.668 176.870 -0.150 0.000 1.073 414 L CA 1.986 56.689 54.840 -0.229 0.000 0.745 414 L CB -0.544 41.297 42.059 -0.363 0.000 0.894 414 L HN 0.144 nan 8.230 nan 0.000 0.432 415 A N -1.372 121.355 122.820 -0.154 0.000 2.235 415 A HA -0.018 4.303 4.320 0.002 0.000 0.208 415 A C 0.964 178.480 177.584 -0.114 0.000 1.172 415 A CA 0.292 52.242 52.037 -0.144 0.000 0.786 415 A CB -0.609 18.267 19.000 -0.207 0.000 0.804 415 A HN 0.488 nan 8.150 nan 0.000 0.479 416 K N -1.174 119.174 120.400 -0.087 0.000 3.150 416 K HA -0.124 4.197 4.320 0.002 0.000 0.267 416 K C -0.851 175.720 176.600 -0.048 0.000 1.028 416 K CA 0.629 56.880 56.287 -0.061 0.000 0.753 416 K CB -1.973 30.491 32.500 -0.059 0.000 1.288 416 K HN 0.240 nan 8.250 nan 0.000 0.473 417 V N 1.033 120.933 119.914 -0.022 0.000 2.495 417 V HA 0.170 4.291 4.120 0.002 0.000 0.298 417 V C 0.689 176.869 176.094 0.144 0.000 1.031 417 V CA -0.787 61.536 62.300 0.038 0.000 0.871 417 V CB 2.042 33.840 31.823 -0.043 0.000 0.988 417 V HN 0.282 nan 8.190 nan 0.000 0.432 418 T N 6.302 120.892 114.554 0.059 0.000 2.866 418 T HA 0.363 4.714 4.350 0.002 0.000 0.293 418 T C -0.267 174.480 174.700 0.078 0.000 1.005 418 T CA 0.952 63.001 62.100 -0.085 0.000 1.162 418 T CB -0.039 68.620 68.868 -0.348 0.000 0.968 418 T HN 0.547 nan 8.240 nan 0.000 0.530 419 I N 2.750 123.317 120.570 -0.005 0.000 2.918 419 I HA 0.648 4.819 4.170 0.002 0.000 0.301 419 I C -1.458 174.683 176.117 0.040 0.000 1.312 419 I CA -0.970 60.365 61.300 0.059 0.000 1.007 419 I CB 2.009 39.982 38.000 -0.047 0.000 1.281 419 I HN 0.429 nan 8.210 nan 0.000 0.440 420 V N 5.265 125.268 119.914 0.148 0.000 2.656 420 V HA 0.496 4.617 4.120 0.002 0.000 0.307 420 V C -1.107 175.047 176.094 0.100 0.000 1.051 420 V CA -0.306 62.081 62.300 0.145 0.000 0.893 420 V CB 2.134 34.128 31.823 0.286 0.000 0.999 420 V HN 0.886 nan 8.190 nan 0.000 0.426 421 D N 3.948 124.389 120.400 0.067 0.000 2.358 421 D HA 0.168 4.809 4.640 0.002 0.000 0.244 421 D C 1.241 177.561 176.300 0.034 0.000 1.163 421 D CA 0.142 54.179 54.000 0.061 0.000 0.945 421 D CB 0.445 41.262 40.800 0.030 0.000 1.152 421 D HN 0.729 nan 8.370 nan 0.000 0.451 422 H N -0.207 118.794 119.070 -0.115 0.000 2.457 422 H HA -0.121 4.436 4.556 0.002 0.000 0.294 422 H C 1.020 176.232 175.328 -0.193 0.000 1.064 422 H CA 1.270 57.213 56.048 -0.175 0.000 1.330 422 H CB -0.589 29.019 29.762 -0.256 0.000 1.395 422 H HN 0.521 nan 8.280 nan 0.000 0.541 423 H N 1.279 120.107 119.070 -0.403 0.000 2.299 423 H HA 0.110 4.667 4.556 0.002 0.000 0.302 423 H C 2.532 177.826 175.328 -0.056 0.000 1.078 423 H CA 1.372 57.294 56.048 -0.210 0.000 1.323 423 H CB -0.380 29.238 29.762 -0.240 0.000 1.381 423 H HN 0.501 nan 8.280 nan 0.000 0.498 424 A N 1.561 124.427 122.820 0.077 0.000 1.877 424 A HA -0.112 4.209 4.320 0.002 0.000 0.216 424 A C 2.727 180.378 177.584 0.111 0.000 1.186 424 A CA 1.903 53.992 52.037 0.088 0.000 0.620 424 A CB -0.910 18.137 19.000 0.079 0.000 0.822 424 A HN 0.441 nan 8.150 nan 0.000 0.443 425 A N -0.207 122.679 122.820 0.110 0.000 1.883 425 A HA -0.150 4.171 4.320 0.002 0.000 0.217 425 A C 2.473 180.148 177.584 0.152 0.000 1.186 425 A CA 2.814 54.934 52.037 0.138 0.000 0.624 425 A CB -1.513 17.559 19.000 0.120 0.000 0.822 425 A HN 0.791 nan 8.150 nan 0.000 0.444 426 T N -2.644 111.981 114.554 0.118 0.000 2.821 426 T HA -0.076 4.275 4.350 0.002 0.000 0.267 426 T C 1.695 176.518 174.700 0.205 0.000 1.046 426 T CA 1.355 63.549 62.100 0.157 0.000 1.139 426 T CB -0.769 68.158 68.868 0.100 0.000 0.871 426 T HN 0.060 nan 8.240 nan 0.000 0.454 427 V N 2.836 122.844 119.914 0.158 0.000 2.343 427 V HA -0.183 3.938 4.120 0.002 0.000 0.247 427 V C 3.225 179.405 176.094 0.144 0.000 1.051 427 V CA 2.161 64.545 62.300 0.140 0.000 1.036 427 V CB -1.008 30.879 31.823 0.108 0.000 0.654 427 V HN 0.804 nan 8.190 nan 0.000 0.451 428 S N -0.358 115.437 115.700 0.159 0.000 2.402 428 S HA -0.212 4.259 4.470 0.002 0.000 0.229 428 S C 1.966 176.685 174.600 0.197 0.000 1.021 428 S CA 1.459 59.754 58.200 0.158 0.000 0.974 428 S CB -0.714 62.584 63.200 0.162 0.000 0.800 428 S HN 0.504 nan 8.310 nan 0.000 0.484 429 F N 2.289 122.297 119.950 0.098 0.000 2.186 429 F HA 0.059 4.587 4.527 0.002 0.000 0.299 429 F C 2.289 178.176 175.800 0.145 0.000 1.090 429 F CA 1.296 59.365 58.000 0.116 0.000 1.307 429 F CB -0.332 38.715 39.000 0.080 0.000 1.019 429 F HN 0.111 nan 8.300 nan 0.000 0.489 430 M N 0.072 119.734 119.600 0.102 0.000 2.117 430 M HA -0.196 4.285 4.480 0.002 0.000 0.262 430 M C 2.215 178.490 176.300 -0.042 0.000 1.065 430 M CA 1.555 56.865 55.300 0.017 0.000 1.114 430 M CB -1.292 31.367 32.600 0.099 0.000 1.361 430 M HN 0.063 nan 8.290 nan 0.000 0.408 431 K N -0.119 120.287 120.400 0.009 0.000 2.063 431 K HA -0.216 4.105 4.320 0.002 0.000 0.208 431 K C 1.950 178.533 176.600 -0.030 0.000 1.048 431 K CA 1.865 58.155 56.287 0.004 0.000 0.928 431 K CB -0.702 31.823 32.500 0.042 0.000 0.713 431 K HN 0.414 nan 8.250 nan 0.000 0.442 432 H N -0.024 118.957 119.070 -0.148 0.000 2.353 432 H HA -0.012 4.545 4.556 0.002 0.000 0.300 432 H C 1.753 176.919 175.328 -0.271 0.000 1.090 432 H CA 2.204 58.136 56.048 -0.193 0.000 1.327 432 H CB -0.194 29.427 29.762 -0.234 0.000 1.383 432 H HN 0.171 nan 8.280 nan 0.000 0.508 433 L N -0.200 120.746 121.223 -0.462 0.000 2.042 433 L HA -0.199 4.142 4.340 0.002 0.000 0.210 433 L C 2.279 179.001 176.870 -0.246 0.000 1.076 433 L CA 1.930 56.532 54.840 -0.396 0.000 0.749 433 L CB -0.461 41.420 42.059 -0.298 0.000 0.893 433 L HN 0.425 nan 8.230 nan 0.000 0.432 434 D N -0.316 119.980 120.400 -0.172 0.000 2.097 434 D HA -0.172 4.470 4.640 0.002 0.000 0.197 434 D C 1.920 178.152 176.300 -0.115 0.000 0.984 434 D CA 1.054 54.989 54.000 -0.109 0.000 0.826 434 D CB 0.103 40.865 40.800 -0.064 0.000 0.973 434 D HN 0.128 nan 8.370 nan 0.000 0.460 435 N N 0.567 119.188 118.700 -0.132 0.000 2.069 435 N HA -0.143 4.598 4.740 0.002 0.000 0.191 435 N C 1.601 177.029 175.510 -0.138 0.000 1.031 435 N CA 0.942 53.930 53.050 -0.105 0.000 0.852 435 N CB -0.289 38.156 38.487 -0.070 0.000 1.018 435 N HN 0.321 nan 8.380 nan 0.000 0.423 436 E N 0.532 120.568 120.200 -0.274 0.000 2.152 436 E HA -0.137 4.214 4.350 0.002 0.000 0.192 436 E C 1.885 178.396 176.600 -0.148 0.000 0.983 436 E CA 0.473 56.720 56.400 -0.256 0.000 0.818 436 E CB -0.116 29.326 29.700 -0.430 0.000 0.758 436 E HN 0.341 nan 8.360 nan 0.000 0.467 437 Q N 1.519 121.241 119.800 -0.132 0.000 2.061 437 Q HA -0.135 4.206 4.340 0.002 0.000 0.204 437 Q C 1.826 177.790 176.000 -0.059 0.000 0.984 437 Q CA 1.760 57.517 55.803 -0.077 0.000 0.846 437 Q CB 0.023 28.721 28.738 -0.067 0.000 0.902 437 Q HN 0.126 nan 8.270 nan 0.000 0.421 438 K N -0.767 119.598 120.400 -0.058 0.000 2.057 438 K HA -0.012 4.309 4.320 0.002 0.000 0.206 438 K C 2.025 178.605 176.600 -0.034 0.000 1.050 438 K CA 1.051 57.314 56.287 -0.040 0.000 0.935 438 K CB -0.183 32.297 32.500 -0.033 0.000 0.715 438 K HN 0.245 nan 8.250 nan 0.000 0.439 439 A N 1.091 123.890 122.820 -0.035 0.000 1.929 439 A HA -0.049 4.272 4.320 0.002 0.000 0.216 439 A C 1.810 179.381 177.584 -0.021 0.000 1.176 439 A CA 1.153 53.181 52.037 -0.014 0.000 0.628 439 A CB 0.039 19.047 19.000 0.012 0.000 0.816 439 A HN 0.155 nan 8.150 nan 0.000 0.444 440 R N -3.014 117.463 120.500 -0.039 0.000 2.539 440 R HA 0.220 4.561 4.340 0.002 0.000 0.342 440 R C 0.778 177.059 176.300 -0.032 0.000 0.941 440 R CA 0.548 56.628 56.100 -0.033 0.000 1.146 440 R CB 0.739 31.014 30.300 -0.042 0.000 1.541 440 R HN 0.706 nan 8.270 nan 0.000 0.525 441 G N 1.042 109.818 108.800 -0.040 0.000 2.176 441 G HA2 -0.195 3.766 3.960 0.002 0.000 0.252 441 G HA3 -0.195 3.766 3.960 0.002 0.000 0.252 441 G C 0.180 175.074 174.900 -0.009 0.000 1.024 441 G CA 0.276 45.352 45.100 -0.039 0.000 0.755 441 G HN 0.710 nan 8.290 nan 0.000 0.507 442 G N -2.484 106.317 108.800 0.001 0.000 2.336 442 G HA2 0.555 4.516 3.960 0.002 0.000 0.300 442 G HA3 0.555 4.516 3.960 0.002 0.000 0.300 442 G C -0.795 174.131 174.900 0.042 0.000 1.375 442 G CA 0.410 45.544 45.100 0.058 0.000 0.885 442 G HN 2.020 nan 8.290 nan 0.000 0.599 443 C N 1.952 121.305 119.300 0.088 0.000 2.817 443 C HA 0.712 5.173 4.460 0.002 0.000 0.385 443 C C -2.605 172.373 174.990 -0.019 0.000 1.050 443 C CA -1.117 57.904 59.018 0.005 0.000 1.245 443 C CB 1.215 28.899 27.740 -0.094 0.000 1.706 443 C HN 0.735 nan 8.230 nan 0.000 0.488 444 P HA 0.432 nan 4.420 nan 0.000 0.271 444 P C -0.654 176.546 177.300 -0.166 0.000 1.220 444 P CA 0.539 63.277 63.100 -0.605 0.000 0.768 444 P CB 1.173 32.249 31.700 -1.039 0.000 0.848 445 A N 2.456 125.243 122.820 -0.055 0.000 2.488 445 A HA 0.403 4.724 4.320 0.002 0.000 0.295 445 A C -1.196 176.444 177.584 0.094 0.000 1.045 445 A CA -0.553 51.542 52.037 0.097 0.000 0.703 445 A CB 1.258 20.432 19.000 0.290 0.000 1.271 445 A HN 0.439 nan 8.150 nan 0.000 0.400 446 D N 2.015 122.459 120.400 0.074 0.000 2.443 446 D HA 0.164 4.805 4.640 0.002 0.000 0.221 446 D C 0.803 177.241 176.300 0.229 0.000 1.097 446 D CA -0.472 53.603 54.000 0.126 0.000 0.865 446 D CB 0.408 41.222 40.800 0.023 0.000 1.034 446 D HN 0.600 nan 8.370 nan 0.000 0.511 447 W N 4.309 125.655 121.300 0.077 0.000 2.321 447 W HA -0.257 4.404 4.660 0.002 0.000 0.306 447 W C 1.870 178.434 176.519 0.075 0.000 1.217 447 W CA 2.094 59.474 57.345 0.058 0.000 1.257 447 W CB 0.096 29.568 29.460 0.020 0.000 1.145 447 W HN 0.554 nan 8.180 nan 0.000 0.509 448 A N -1.202 121.926 122.820 0.514 0.000 2.019 448 A HA -0.184 4.137 4.320 0.002 0.000 0.219 448 A C 1.466 179.145 177.584 0.159 0.000 1.164 448 A CA 1.565 53.833 52.037 0.385 0.000 0.644 448 A CB -1.226 18.019 19.000 0.409 0.000 0.805 448 A HN 0.534 nan 8.150 nan 0.000 0.449 449 W N -0.876 120.409 121.300 -0.025 0.000 2.704 449 W HA 0.191 4.852 4.660 0.002 0.000 0.266 449 W C 1.835 178.251 176.519 -0.171 0.000 1.266 449 W CA -0.075 57.228 57.345 -0.070 0.000 1.377 449 W CB -0.010 29.434 29.460 -0.027 0.000 1.082 449 W HN 0.137 nan 8.180 nan 0.000 0.608 450 I N -0.246 120.297 120.570 -0.046 0.000 2.333 450 I HA -0.071 4.100 4.170 0.002 0.000 0.246 450 I C 0.699 176.625 176.117 -0.318 0.000 1.106 450 I CA 0.764 61.905 61.300 -0.266 0.000 1.411 450 I CB -1.491 36.279 38.000 -0.384 0.000 1.082 450 I HN -0.420 nan 8.210 nan 0.000 0.420 451 V N 4.645 124.285 119.914 -0.458 0.000 2.529 451 V HA 0.070 4.191 4.120 0.002 0.000 0.292 451 V C -1.720 174.211 176.094 -0.273 0.000 1.028 451 V CA -0.982 61.040 62.300 -0.462 0.000 1.074 451 V CB 0.166 31.456 31.823 -0.888 0.000 0.958 451 V HN 0.143 nan 8.190 nan 0.000 0.481 452 P HA 0.167 nan 4.420 nan 0.000 0.271 452 P C -2.079 175.108 177.300 -0.189 0.000 1.233 452 P CA -1.411 61.581 63.100 -0.180 0.000 0.789 452 P CB 0.044 31.650 31.700 -0.156 0.000 0.951 453 P HA 0.089 nan 4.420 nan 0.000 0.245 453 P C 0.266 177.465 177.300 -0.168 0.000 1.206 453 P CA 0.805 63.797 63.100 -0.180 0.000 0.781 453 P CB 0.123 31.708 31.700 -0.192 0.000 0.994 454 I N -6.117 114.321 120.570 -0.220 0.000 2.828 454 I HA 0.505 4.676 4.170 0.002 0.000 0.302 454 I C 0.009 176.034 176.117 -0.153 0.000 1.101 454 I CA -1.164 60.026 61.300 -0.183 0.000 1.031 454 I CB 2.000 39.872 38.000 -0.214 0.000 1.231 454 I HN -0.399 nan 8.210 nan 0.000 0.427 455 S N 2.168 117.826 115.700 -0.070 0.000 3.635 455 S HA -0.179 4.292 4.470 0.002 0.000 0.328 455 S C 1.388 175.977 174.600 -0.018 0.000 1.135 455 S CA 0.783 58.982 58.200 -0.002 0.000 0.942 455 S CB -1.667 61.609 63.200 0.128 0.000 0.930 455 S HN 1.313 nan 8.310 nan 0.000 0.512 456 G N 2.267 111.030 108.800 -0.062 0.000 2.631 456 G HA2 -0.345 3.616 3.960 0.002 0.000 0.219 456 G HA3 -0.345 3.616 3.960 0.002 0.000 0.219 456 G C 1.462 176.272 174.900 -0.150 0.000 1.214 456 G CA 1.737 46.816 45.100 -0.035 0.000 0.785 456 G HN 1.353 nan 8.290 nan 0.000 0.596 457 S N -0.281 115.079 115.700 -0.568 0.000 2.561 457 S HA 0.160 4.631 4.470 0.002 0.000 0.225 457 S C 1.934 176.453 174.600 -0.134 0.000 0.977 457 S CA 0.499 58.175 58.200 -0.872 0.000 0.926 457 S CB 0.017 62.416 63.200 -1.334 0.000 0.769 457 S HN 0.051 nan 8.310 nan 0.000 0.533 458 L N 2.653 123.857 121.223 -0.031 0.000 2.554 458 L HA 0.251 4.592 4.340 0.002 0.000 0.226 458 L C 1.329 178.314 176.870 0.192 0.000 1.137 458 L CA 0.650 55.554 54.840 0.107 0.000 0.863 458 L CB -1.118 41.029 42.059 0.147 0.000 0.985 458 L HN 0.606 nan 8.230 nan 0.000 0.451 459 T N -4.302 110.352 114.554 0.166 0.000 2.929 459 T HA 0.378 4.729 4.350 0.002 0.000 0.284 459 T C -1.708 173.140 174.700 0.248 0.000 1.014 459 T CA -1.863 60.351 62.100 0.190 0.000 1.051 459 T CB 1.942 70.876 68.868 0.109 0.000 1.028 459 T HN -0.142 nan 8.240 nan 0.000 0.485 460 P HA -0.040 nan 4.420 nan 0.000 0.223 460 P C 1.784 179.265 177.300 0.301 0.000 1.151 460 P CA 0.764 64.041 63.100 0.296 0.000 0.787 460 P CB -0.336 31.491 31.700 0.212 0.000 0.788 461 V N -3.882 116.162 119.914 0.217 0.000 2.626 461 V HA -0.174 3.947 4.120 0.002 0.000 0.252 461 V C 2.308 178.472 176.094 0.118 0.000 1.067 461 V CA 1.058 63.456 62.300 0.163 0.000 1.081 461 V CB -2.184 29.676 31.823 0.062 0.000 0.686 461 V HN -0.123 nan 8.190 nan 0.000 0.468 462 F N 1.799 121.709 119.950 -0.067 0.000 2.161 462 F HA -0.170 4.358 4.527 0.002 0.000 0.300 462 F C 2.441 178.329 175.800 0.147 0.000 1.089 462 F CA 2.283 60.239 58.000 -0.073 0.000 1.282 462 F CB -0.236 38.598 39.000 -0.277 0.000 1.010 462 F HN 0.286 nan 8.300 nan 0.000 0.485 463 H N -1.142 118.246 119.070 0.530 0.000 2.539 463 H HA 0.120 4.677 4.556 0.002 0.000 0.269 463 H C 0.275 175.858 175.328 0.424 0.000 0.980 463 H CA 0.206 56.535 56.048 0.467 0.000 1.152 463 H CB -0.115 29.902 29.762 0.425 0.000 1.407 463 H HN 0.247 nan 8.280 nan 0.000 0.564 464 Q N 1.950 122.027 119.800 0.462 0.000 2.314 464 Q HA 0.158 4.499 4.340 0.002 0.000 0.259 464 Q C -0.557 175.690 176.000 0.411 0.000 0.951 464 Q CA -0.401 55.631 55.803 0.381 0.000 0.909 464 Q CB 0.821 29.744 28.738 0.309 0.000 1.236 464 Q HN 0.220 nan 8.270 nan 0.000 0.444 465 E N 3.384 123.779 120.200 0.326 0.000 2.398 465 E HA 0.249 4.600 4.350 0.002 0.000 0.263 465 E C -0.496 176.251 176.600 0.246 0.000 1.046 465 E CA 0.351 56.900 56.400 0.249 0.000 0.908 465 E CB 0.772 30.593 29.700 0.203 0.000 0.963 465 E HN 0.595 nan 8.360 nan 0.000 0.431 466 M N 1.505 121.250 119.600 0.241 0.000 2.484 466 M HA 0.361 4.842 4.480 0.002 0.000 0.289 466 M C -1.241 175.176 176.300 0.195 0.000 1.206 466 M CA -0.977 54.469 55.300 0.244 0.000 0.892 466 M CB 2.356 35.153 32.600 0.328 0.000 1.712 466 M HN 0.155 nan 8.290 nan 0.000 0.462 467 V N 1.900 121.938 119.914 0.205 0.000 2.459 467 V HA 0.487 4.608 4.120 0.002 0.000 0.295 467 V C -0.621 175.597 176.094 0.208 0.000 1.029 467 V CA -0.708 61.741 62.300 0.249 0.000 0.874 467 V CB 1.745 33.777 31.823 0.349 0.000 0.985 467 V HN 0.803 nan 8.190 nan 0.000 0.438 468 N N 3.669 122.485 118.700 0.192 0.000 2.372 468 N HA 0.650 5.391 4.740 0.002 0.000 0.285 468 N C -1.253 174.345 175.510 0.146 0.000 1.008 468 N CA -0.411 52.664 53.050 0.042 0.000 0.880 468 N CB 1.330 39.849 38.487 0.053 0.000 1.239 468 N HN 0.662 nan 8.380 nan 0.000 0.484 469 Y N 0.412 120.733 120.300 0.036 0.000 2.689 469 Y HA 0.574 5.125 4.550 0.002 0.000 0.333 469 Y C -1.149 174.756 175.900 0.009 0.000 1.208 469 Y CA -1.246 56.868 58.100 0.023 0.000 1.055 469 Y CB 0.801 39.279 38.460 0.030 0.000 1.304 469 Y HN 0.193 nan 8.280 nan 0.000 0.455 470 I N 3.286 123.960 120.570 0.173 0.000 2.312 470 I HA 0.400 4.571 4.170 0.002 0.000 0.290 470 I C -0.740 175.449 176.117 0.120 0.000 1.008 470 I CA -0.416 60.925 61.300 0.068 0.000 1.226 470 I CB 1.000 39.023 38.000 0.038 0.000 1.371 470 I HN 0.413 nan 8.210 nan 0.000 0.468 471 L N 4.758 126.024 121.223 0.071 0.000 2.334 471 L HA 0.545 4.886 4.340 0.002 0.000 0.272 471 L C 0.156 177.034 176.870 0.013 0.000 1.020 471 L CA -0.518 54.368 54.840 0.076 0.000 0.812 471 L CB 1.977 44.083 42.059 0.079 0.000 1.264 471 L HN 0.511 nan 8.230 nan 0.000 0.439 472 S N 1.504 117.219 115.700 0.026 0.000 2.501 472 S HA 0.600 5.071 4.470 0.002 0.000 0.301 472 S C -2.519 172.102 174.600 0.035 0.000 1.096 472 S CA -1.472 56.730 58.200 0.003 0.000 1.063 472 S CB 1.666 64.879 63.200 0.023 0.000 1.042 472 S HN 0.234 nan 8.310 nan 0.000 0.494 473 P HA 0.367 nan 4.420 nan 0.000 0.267 473 P C -1.421 175.762 177.300 -0.195 0.000 1.200 473 P CA -0.047 62.973 63.100 -0.134 0.000 0.772 473 P CB 0.540 32.132 31.700 -0.180 0.000 0.855 474 A N 2.039 124.699 122.820 -0.268 0.000 2.574 474 A HA 0.649 4.970 4.320 0.002 0.000 0.297 474 A C -1.355 175.992 177.584 -0.395 0.000 1.062 474 A CA -0.510 51.373 52.037 -0.257 0.000 0.686 474 A CB 0.717 19.638 19.000 -0.132 0.000 1.285 474 A HN 0.289 nan 8.150 nan 0.000 0.403 475 F N 1.490 121.349 119.950 -0.152 0.000 2.410 475 F HA 0.592 5.120 4.527 0.002 0.000 0.348 475 F C 1.187 176.866 175.800 -0.201 0.000 1.106 475 F CA 0.466 58.371 58.000 -0.158 0.000 1.163 475 F CB 1.205 40.078 39.000 -0.211 0.000 1.129 475 F HN 0.509 nan 8.300 nan 0.000 0.516 476 R N 1.803 122.303 120.500 0.000 0.000 2.854 476 R HA 0.437 4.778 4.340 0.002 0.000 0.271 476 R C -1.398 174.833 176.300 -0.114 0.000 0.994 476 R CA -1.254 54.772 56.100 -0.124 0.000 0.945 476 R CB 1.654 31.929 30.300 -0.041 0.000 1.194 476 R HN 0.399 nan 8.270 nan 0.000 0.476 477 Y N 1.354 121.681 120.300 0.044 0.000 2.379 477 Y HA 0.095 4.646 4.550 0.002 0.000 0.337 477 Y C 0.759 176.663 175.900 0.006 0.000 1.238 477 Y CA -0.023 58.092 58.100 0.025 0.000 1.405 477 Y CB 0.578 39.040 38.460 0.002 0.000 1.310 477 Y HN 0.429 nan 8.280 nan 0.000 0.569 478 Q N 0.954 120.852 119.800 0.164 0.000 2.462 478 Q HA 0.644 4.985 4.340 0.002 0.000 0.285 478 Q C -3.050 172.930 176.000 -0.032 0.000 1.035 478 Q CA -2.423 53.409 55.803 0.048 0.000 0.799 478 Q CB 1.551 30.309 28.738 0.033 0.000 1.452 478 Q HN 0.305 nan 8.270 nan 0.000 0.404 479 P HA 0.069 nan 4.420 nan 0.000 0.268 479 P C -0.907 176.201 177.300 -0.319 0.000 1.208 479 P CA -0.013 62.970 63.100 -0.194 0.000 0.777 479 P CB 0.357 31.948 31.700 -0.181 0.000 0.875 480 D N 2.660 122.741 120.400 -0.531 0.000 2.414 480 D HA 0.011 4.652 4.640 0.002 0.000 0.242 480 D C -1.355 174.385 176.300 -0.933 0.000 1.129 480 D CA -0.796 52.629 54.000 -0.957 0.000 0.885 480 D CB 0.269 40.049 40.800 -1.701 0.000 1.198 480 D HN 0.219 nan 8.370 nan 0.000 0.437 481 P HA -0.026 nan 4.420 nan 0.000 0.226 481 P C 0.124 177.092 177.300 -0.554 0.000 1.153 481 P CA 0.677 63.404 63.100 -0.622 0.000 0.777 481 P CB 0.113 31.396 31.700 -0.696 0.000 0.794 482 W N 0.000 120.870 121.300 -0.717 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.080 57.345 -0.442 0.000 1.226 482 W CB 0.000 29.169 29.460 -0.485 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535