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 4nse_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.387 176.600 -0.355 0.000 0.988 69 K CA 0.000 56.092 56.287 -0.325 0.000 0.838 69 K CB 0.000 32.442 32.500 -0.096 0.000 1.064 70 F N 4.274 124.234 119.950 0.016 0.000 2.471 70 F HA 0.243 4.770 4.527 0.001 0.000 0.365 70 F C -1.435 174.437 175.800 0.120 0.000 1.095 70 F CA -1.516 56.512 58.000 0.047 0.000 1.174 70 F CB 0.343 39.370 39.000 0.044 0.000 1.105 70 F HN 0.190 nan 8.300 nan 0.000 0.535 71 P HA 0.022 nan 4.420 nan 0.000 0.271 71 P C -0.456 176.939 177.300 0.157 0.000 1.233 71 P CA -0.385 62.811 63.100 0.161 0.000 0.764 71 P CB 0.785 32.544 31.700 0.099 0.000 0.825 72 R N 3.168 123.723 120.500 0.092 0.000 2.347 72 R HA 0.336 4.677 4.340 0.001 0.000 0.304 72 R C -0.971 175.236 176.300 -0.155 0.000 1.072 72 R CA -0.337 55.639 56.100 -0.207 0.000 0.980 72 R CB 0.354 30.591 30.300 -0.104 0.000 0.986 72 R HN 0.271 nan 8.270 nan 0.000 0.448 73 V N 4.981 124.757 119.914 -0.230 0.000 2.495 73 V HA 0.394 4.515 4.120 0.001 0.000 0.298 73 V C -0.298 175.709 176.094 -0.145 0.000 1.031 73 V CA -0.773 61.470 62.300 -0.096 0.000 0.871 73 V CB 1.633 33.442 31.823 -0.024 0.000 0.988 73 V HN 0.748 nan 8.190 nan 0.000 0.432 74 K N 3.315 123.656 120.400 -0.099 0.000 2.316 74 K HA 0.419 4.740 4.320 0.001 0.000 0.251 74 K C -0.777 175.714 176.600 -0.181 0.000 0.934 74 K CA -0.705 55.437 56.287 -0.241 0.000 0.802 74 K CB 1.616 33.820 32.500 -0.493 0.000 1.171 74 K HN 0.738 nan 8.250 nan 0.000 0.426 75 N N 4.105 122.688 118.700 -0.195 0.000 2.485 75 N HA 0.081 4.822 4.740 0.001 0.000 0.243 75 N C -0.152 175.287 175.510 -0.117 0.000 0.987 75 N CA -0.305 52.734 53.050 -0.019 0.000 0.940 75 N CB 0.436 38.942 38.487 0.033 0.000 1.122 75 N HN 0.662 nan 8.380 nan 0.000 0.509 76 W N 2.086 123.474 121.300 0.145 0.000 2.525 76 W HA 0.021 4.682 4.660 0.002 0.000 0.259 76 W C 2.083 178.662 176.519 0.100 0.000 1.253 76 W CA 0.109 57.534 57.345 0.133 0.000 1.262 76 W CB 0.241 29.811 29.460 0.183 0.000 1.122 76 W HN 0.661 nan 8.180 nan 0.000 0.607 77 E N 0.215 120.558 120.200 0.238 0.000 2.190 77 E HA -0.078 4.273 4.350 0.001 0.000 0.191 77 E C 1.673 178.298 176.600 0.043 0.000 0.978 77 E CA 0.870 57.319 56.400 0.081 0.000 0.839 77 E CB -0.128 29.593 29.700 0.033 0.000 0.787 77 E HN 0.275 nan 8.360 nan 0.000 0.473 78 L N -1.011 120.232 121.223 0.034 0.000 2.638 78 L HA 0.364 4.704 4.340 0.001 0.000 0.232 78 L C 1.536 178.382 176.870 -0.040 0.000 1.099 78 L CA 0.380 55.221 54.840 0.000 0.000 0.883 78 L CB 0.737 42.800 42.059 0.008 0.000 1.136 78 L HN 0.397 nan 8.230 nan 0.000 0.492 79 G N 0.536 109.282 108.800 -0.090 0.000 2.184 79 G HA2 -0.330 3.631 3.960 0.001 0.000 0.264 79 G HA3 -0.330 3.631 3.960 0.001 0.000 0.264 79 G C 0.461 175.262 174.900 -0.165 0.000 0.975 79 G CA 0.496 45.503 45.100 -0.156 0.000 0.642 79 G HN 0.457 nan 8.290 nan 0.000 0.536 80 S N -0.370 115.256 115.700 -0.122 0.000 2.584 80 S HA 0.689 5.160 4.470 0.001 0.000 0.270 80 S C 0.091 174.598 174.600 -0.155 0.000 1.346 80 S CA -0.102 58.034 58.200 -0.107 0.000 1.018 80 S CB 1.991 65.153 63.200 -0.062 0.000 0.899 80 S HN 0.637 nan 8.310 nan 0.000 0.542 81 I N 1.151 121.634 120.570 -0.145 0.000 2.647 81 I HA 0.542 4.713 4.170 0.001 0.000 0.295 81 I C -0.255 175.742 176.117 -0.200 0.000 1.078 81 I CA -0.379 60.795 61.300 -0.211 0.000 1.048 81 I CB 2.708 40.565 38.000 -0.238 0.000 1.239 81 I HN 0.982 nan 8.210 nan 0.000 0.421 82 T N 0.874 115.263 114.554 -0.275 0.000 2.900 82 T HA 0.604 4.955 4.350 0.001 0.000 0.303 82 T C -1.334 173.174 174.700 -0.320 0.000 1.142 82 T CA -0.797 61.190 62.100 -0.189 0.000 1.007 82 T CB 1.332 70.159 68.868 -0.068 0.000 1.156 82 T HN 0.257 nan 8.240 nan 0.000 0.490 83 Y N 0.856 121.157 120.300 0.001 0.000 2.328 83 Y HA 0.415 4.966 4.550 0.001 0.000 0.337 83 Y C 0.286 176.204 175.900 0.031 0.000 0.966 83 Y CA -0.936 57.177 58.100 0.022 0.000 1.136 83 Y CB 1.420 39.876 38.460 -0.008 0.000 1.170 83 Y HN 0.701 nan 8.280 nan 0.000 0.470 84 D N 2.635 123.148 120.400 0.189 0.000 2.374 84 D HA 0.025 4.666 4.640 0.001 0.000 0.240 84 D C 0.823 177.244 176.300 0.201 0.000 1.229 84 D CA 0.236 54.329 54.000 0.155 0.000 0.895 84 D CB 1.006 41.894 40.800 0.146 0.000 1.046 84 D HN 0.781 nan 8.370 nan 0.000 0.498 85 T N 1.004 115.644 114.554 0.144 0.000 3.060 85 T HA -0.037 4.313 4.350 0.001 0.000 0.249 85 T C 1.749 176.525 174.700 0.126 0.000 1.079 85 T CA -0.268 61.945 62.100 0.188 0.000 1.013 85 T CB 0.143 68.943 68.868 -0.114 0.000 0.975 85 T HN 0.246 nan 8.240 nan 0.000 0.518 86 L N 2.200 123.452 121.223 0.050 0.000 2.217 86 L HA 0.131 4.472 4.340 0.001 0.000 0.211 86 L C 2.567 179.334 176.870 -0.171 0.000 1.107 86 L CA 0.937 55.793 54.840 0.026 0.000 0.783 86 L CB -0.805 41.334 42.059 0.132 0.000 0.919 86 L HN 0.642 nan 8.230 nan 0.000 0.442 87 C N -1.612 117.358 119.300 -0.550 0.000 2.419 87 C HA 0.071 4.532 4.460 0.001 0.000 0.283 87 C C 2.741 177.475 174.990 -0.426 0.000 1.373 87 C CA 0.166 58.508 59.018 -1.126 0.000 1.781 87 C CB -2.209 24.876 27.740 -1.092 0.000 1.886 87 C HN 0.559 nan 8.230 nan 0.000 0.520 88 A N 0.205 122.920 122.820 -0.175 0.000 2.121 88 A HA -0.060 4.261 4.320 0.001 0.000 0.218 88 A C 2.243 179.809 177.584 -0.029 0.000 1.154 88 A CA 1.276 53.269 52.037 -0.073 0.000 0.679 88 A CB -0.373 18.675 19.000 0.080 0.000 0.795 88 A HN 0.676 nan 8.150 nan 0.000 0.458 89 Q N -0.021 119.768 119.800 -0.018 0.000 2.389 89 Q HA 0.082 4.423 4.340 0.001 0.000 0.204 89 Q C 0.875 176.900 176.000 0.043 0.000 0.944 89 Q CA 0.340 56.161 55.803 0.031 0.000 0.908 89 Q CB -0.566 28.209 28.738 0.062 0.000 1.002 89 Q HN 0.484 nan 8.270 nan 0.000 0.493 90 S N 1.144 116.859 115.700 0.026 0.000 2.537 90 S HA 0.001 4.472 4.470 0.001 0.000 0.286 90 S C 0.844 175.469 174.600 0.042 0.000 1.299 90 S CA 0.081 58.325 58.200 0.072 0.000 1.067 90 S CB 0.441 63.700 63.200 0.098 0.000 0.864 90 S HN 0.120 nan 8.310 nan 0.000 0.494 91 Q N 2.007 121.838 119.800 0.052 0.000 2.280 91 Q HA 0.250 4.591 4.340 0.001 0.000 0.244 91 Q C -0.044 175.977 176.000 0.034 0.000 0.847 91 Q CA 0.202 56.027 55.803 0.036 0.000 0.945 91 Q CB 0.312 29.074 28.738 0.040 0.000 1.115 91 Q HN 0.635 nan 8.270 nan 0.000 0.513 92 Q N 1.328 121.154 119.800 0.043 0.000 2.241 92 Q HA 0.206 4.546 4.340 0.001 0.000 0.254 92 Q C -0.924 175.101 176.000 0.040 0.000 0.917 92 Q CA -0.078 55.747 55.803 0.035 0.000 0.919 92 Q CB 1.346 30.103 28.738 0.031 0.000 1.237 92 Q HN 0.053 nan 8.270 nan 0.000 0.434 93 D N 1.111 121.529 120.400 0.030 0.000 2.210 93 D HA 0.377 5.018 4.640 0.001 0.000 0.249 93 D C 0.175 176.495 176.300 0.034 0.000 1.078 93 D CA 0.033 54.051 54.000 0.031 0.000 0.875 93 D CB 1.353 42.165 40.800 0.021 0.000 1.175 93 D HN 0.618 nan 8.370 nan 0.000 0.440 94 G N 1.355 110.180 108.800 0.041 0.000 2.543 94 G HA2 0.305 4.266 3.960 0.001 0.000 0.290 94 G HA3 0.305 4.266 3.960 0.001 0.000 0.290 94 G C -1.480 173.440 174.900 0.033 0.000 1.310 94 G CA -0.725 44.400 45.100 0.041 0.000 1.025 94 G HN 0.321 nan 8.290 nan 0.000 0.502 95 P HA 0.099 nan 4.420 nan 0.000 0.235 95 P C 0.450 177.765 177.300 0.025 0.000 1.177 95 P CA 0.024 63.141 63.100 0.028 0.000 0.785 95 P CB 0.136 31.855 31.700 0.031 0.000 0.885 96 C N 1.069 120.386 119.300 0.029 0.000 2.595 96 C HA 0.522 4.983 4.460 0.001 0.000 0.384 96 C C 1.151 176.151 174.990 0.017 0.000 1.289 96 C CA 0.243 59.275 59.018 0.024 0.000 2.372 96 C CB 0.424 28.182 27.740 0.029 0.000 2.593 96 C HN 0.383 nan 8.230 nan 0.000 0.639 97 T N -1.388 113.172 114.554 0.012 0.000 2.816 97 T HA 0.412 4.763 4.350 0.001 0.000 0.299 97 T C -2.514 172.188 174.700 0.004 0.000 1.230 97 T CA -1.040 61.064 62.100 0.006 0.000 1.007 97 T CB 1.269 70.140 68.868 0.004 0.000 1.289 97 T HN 0.250 nan 8.240 nan 0.000 0.508 98 P HA 0.060 nan 4.420 nan 0.000 0.220 98 P C 1.541 178.840 177.300 -0.001 0.000 1.148 98 P CA 0.463 63.563 63.100 -0.001 0.000 0.803 98 P CB 0.160 31.858 31.700 -0.004 0.000 0.782 99 R N -0.214 120.286 120.500 -0.001 0.000 2.148 99 R HA 0.047 4.387 4.340 0.001 0.000 0.223 99 R C 0.991 177.291 176.300 -0.001 0.000 1.088 99 R CA 0.942 57.041 56.100 -0.001 0.000 0.985 99 R CB -0.279 30.021 30.300 -0.001 0.000 0.880 99 R HN 0.308 nan 8.270 nan 0.000 0.451 100 R N -0.661 119.839 120.500 0.001 0.000 2.644 100 R HA 0.103 4.444 4.340 0.001 0.000 0.257 100 R C -1.489 174.814 176.300 0.005 0.000 1.082 100 R CA -0.677 55.423 56.100 0.001 0.000 0.927 100 R CB 0.034 30.335 30.300 0.001 0.000 1.258 100 R HN 0.005 nan 8.270 nan 0.000 0.459 101 C N 3.747 123.049 119.300 0.004 0.000 2.307 101 C HA 0.589 5.050 4.460 0.001 0.000 0.340 101 C C 0.285 175.285 174.990 0.016 0.000 1.275 101 C CA -0.584 58.440 59.018 0.010 0.000 1.811 101 C CB -0.544 27.199 27.740 0.004 0.000 2.372 101 C HN 0.671 nan 8.230 nan 0.000 0.531 102 L N 6.061 127.299 121.223 0.026 0.000 2.965 102 L HA 0.344 4.685 4.340 0.001 0.000 0.254 102 L C 2.095 178.995 176.870 0.051 0.000 1.220 102 L CA 0.771 55.631 54.840 0.033 0.000 1.023 102 L CB -0.203 41.874 42.059 0.029 0.000 1.355 102 L HN 1.055 nan 8.230 nan 0.000 0.545 103 G N -0.486 108.347 108.800 0.055 0.000 2.479 103 G HA2 -0.270 3.691 3.960 0.001 0.000 0.220 103 G HA3 -0.270 3.691 3.960 0.001 0.000 0.220 103 G C 1.512 176.484 174.900 0.120 0.000 1.115 103 G CA 1.164 46.312 45.100 0.081 0.000 0.757 103 G HN 0.522 nan 8.290 nan 0.000 0.560 104 S N -0.345 115.420 115.700 0.107 0.000 2.593 104 S HA 0.321 4.791 4.470 0.001 0.000 0.217 104 S C 0.864 175.554 174.600 0.149 0.000 0.966 104 S CA -0.473 57.811 58.200 0.141 0.000 0.914 104 S CB -0.000 63.256 63.200 0.094 0.000 0.776 104 S HN 0.026 nan 8.310 nan 0.000 0.523 105 L N 2.560 123.853 121.223 0.116 0.000 2.410 105 L HA 0.209 4.550 4.340 0.001 0.000 0.273 105 L C 1.544 178.500 176.870 0.143 0.000 1.152 105 L CA 0.071 54.971 54.840 0.100 0.000 0.855 105 L CB 0.908 43.002 42.059 0.059 0.000 1.129 105 L HN 0.117 nan 8.230 nan 0.000 0.463 106 V N 4.824 124.827 119.914 0.148 0.000 2.323 106 V HA -0.143 3.977 4.120 0.001 0.000 0.244 106 V C 0.943 177.038 176.094 0.001 0.000 1.041 106 V CA 1.311 63.722 62.300 0.185 0.000 1.025 106 V CB -0.170 31.774 31.823 0.201 0.000 0.656 106 V HN 0.587 nan 8.190 nan 0.000 0.451 107 L N 1.033 122.212 121.223 -0.072 0.000 2.457 107 L HA 0.496 4.837 4.340 0.001 0.000 0.252 107 L C -2.706 174.135 176.870 -0.048 0.000 1.132 107 L CA -1.225 53.523 54.840 -0.153 0.000 0.938 107 L CB 0.558 42.445 42.059 -0.286 0.000 1.246 107 L HN 0.106 nan 8.230 nan 0.000 0.476 108 P HA 0.365 nan 4.420 nan 0.000 0.279 108 P C 0.258 177.571 177.300 0.021 0.000 1.252 108 P CA -0.722 62.389 63.100 0.017 0.000 0.811 108 P CB 0.974 32.694 31.700 0.033 0.000 1.035 109 R N 0.712 121.217 120.500 0.009 0.000 2.328 109 R HA -0.038 4.303 4.340 0.001 0.000 0.207 109 R C 1.520 177.832 176.300 0.020 0.000 1.056 109 R CA 0.830 56.935 56.100 0.008 0.000 1.016 109 R CB -0.253 30.045 30.300 -0.003 0.000 0.872 109 R HN 0.317 nan 8.270 nan 0.000 0.471 110 K N 0.418 120.835 120.400 0.027 0.000 2.007 110 K HA -0.050 4.271 4.320 0.001 0.000 0.206 110 K C 1.689 178.311 176.600 0.037 0.000 1.047 110 K CA 0.791 57.095 56.287 0.028 0.000 0.937 110 K CB -0.428 32.089 32.500 0.028 0.000 0.718 110 K HN 0.136 nan 8.250 nan 0.000 0.438 111 L N 1.875 123.134 121.223 0.061 0.000 2.551 111 L HA 0.012 4.353 4.340 0.001 0.000 0.228 111 L C 0.769 177.697 176.870 0.096 0.000 1.153 111 L CA 0.894 55.778 54.840 0.074 0.000 0.851 111 L CB -0.613 41.521 42.059 0.125 0.000 0.959 111 L HN 0.137 nan 8.230 nan 0.000 0.451 112 Q N -0.458 119.395 119.800 0.088 0.000 2.259 112 Q HA 0.361 4.702 4.340 0.001 0.000 0.246 112 Q C -0.585 175.435 176.000 0.033 0.000 0.920 112 Q CA -0.029 55.820 55.803 0.077 0.000 0.895 112 Q CB 0.998 29.765 28.738 0.050 0.000 1.220 112 Q HN 0.349 nan 8.270 nan 0.000 0.439 113 T N 1.134 115.703 114.554 0.025 0.000 3.317 113 T HA 0.438 4.789 4.350 0.001 0.000 0.361 113 T C -0.248 174.447 174.700 -0.010 0.000 1.499 113 T CA -0.952 61.149 62.100 0.002 0.000 1.529 113 T CB 0.364 69.230 68.868 -0.004 0.000 0.997 113 T HN 0.430 nan 8.240 nan 0.000 0.624 114 R N 1.749 122.239 120.500 -0.016 0.000 2.801 114 R HA 0.368 4.709 4.340 0.001 0.000 0.273 114 R C -2.127 174.155 176.300 -0.031 0.000 1.080 114 R CA -1.374 54.708 56.100 -0.031 0.000 1.197 114 R CB -0.440 29.841 30.300 -0.031 0.000 1.109 114 R HN 0.362 nan 8.270 nan 0.000 0.535 115 P HA 0.048 nan 4.420 nan 0.000 0.274 115 P C -0.638 176.647 177.300 -0.025 0.000 1.264 115 P CA -0.109 62.972 63.100 -0.031 0.000 0.795 115 P CB 0.531 32.211 31.700 -0.033 0.000 1.064 116 S N -1.546 114.141 115.700 -0.021 0.000 2.564 116 S HA 0.627 5.098 4.470 0.001 0.000 0.274 116 S C -2.250 172.342 174.600 -0.013 0.000 1.124 116 S CA -0.808 57.382 58.200 -0.018 0.000 0.869 116 S CB 0.871 64.059 63.200 -0.019 0.000 1.105 116 S HN 0.244 nan 8.310 nan 0.000 0.472 117 P HA 0.383 nan 4.420 nan 0.000 0.252 117 P C 0.399 177.696 177.300 -0.005 0.000 1.218 117 P CA 0.283 63.379 63.100 -0.007 0.000 0.807 117 P CB 0.085 31.781 31.700 -0.006 0.000 1.072 118 G N 0.094 108.891 108.800 -0.006 0.000 2.690 118 G HA2 0.550 4.511 3.960 0.001 0.000 0.291 118 G HA3 0.550 4.511 3.960 0.001 0.000 0.291 118 G C -3.227 171.669 174.900 -0.007 0.000 1.403 118 G CA -1.233 43.864 45.100 -0.004 0.000 0.864 118 G HN -0.256 nan 8.290 nan 0.000 0.480 119 P HA 0.290 nan 4.420 nan 0.000 0.266 119 P C -2.405 174.893 177.300 -0.004 0.000 1.195 119 P CA -0.662 62.434 63.100 -0.006 0.000 0.768 119 P CB 0.011 31.711 31.700 0.001 0.000 0.838 120 P HA 0.169 nan 4.420 nan 0.000 0.267 120 P C -2.326 174.978 177.300 0.008 0.000 1.209 120 P CA -0.861 62.238 63.100 -0.001 0.000 0.763 120 P CB -0.779 30.919 31.700 -0.004 0.000 0.816 121 P HA -0.054 nan 4.420 nan 0.000 0.262 121 P C 0.778 178.086 177.300 0.014 0.000 1.182 121 P CA 0.273 63.379 63.100 0.009 0.000 0.761 121 P CB 0.455 32.159 31.700 0.007 0.000 0.795 122 A N 4.091 126.920 122.820 0.015 0.000 1.958 122 A HA -0.273 4.048 4.320 0.001 0.000 0.221 122 A C 2.027 179.619 177.584 0.013 0.000 1.178 122 A CA 1.606 53.653 52.037 0.017 0.000 0.642 122 A CB -0.749 18.259 19.000 0.014 0.000 0.816 122 A HN 0.528 nan 8.150 nan 0.000 0.453 123 E N -0.721 119.485 120.200 0.010 0.000 2.031 123 E HA -0.228 4.123 4.350 0.001 0.000 0.193 123 E C 2.215 178.822 176.600 0.012 0.000 0.994 123 E CA 1.492 57.897 56.400 0.008 0.000 0.800 123 E CB -0.431 29.273 29.700 0.006 0.000 0.752 123 E HN 0.861 nan 8.360 nan 0.000 0.447 124 Q N 0.246 120.055 119.800 0.015 0.000 2.046 124 Q HA -0.160 4.181 4.340 0.001 0.000 0.200 124 Q C 2.345 178.363 176.000 0.030 0.000 0.975 124 Q CA 1.024 56.839 55.803 0.020 0.000 0.836 124 Q CB -0.093 28.655 28.738 0.017 0.000 0.896 124 Q HN 0.143 nan 8.270 nan 0.000 0.428 125 L N 0.648 121.892 121.223 0.034 0.000 2.017 125 L HA -0.165 4.175 4.340 0.001 0.000 0.208 125 L C 2.146 179.046 176.870 0.051 0.000 1.073 125 L CA 1.531 56.406 54.840 0.059 0.000 0.745 125 L CB -0.843 41.259 42.059 0.072 0.000 0.894 125 L HN 0.347 nan 8.230 nan 0.000 0.432 126 L N -0.542 120.690 121.223 0.015 0.000 2.131 126 L HA -0.168 4.172 4.340 0.001 0.000 0.210 126 L C 2.667 179.531 176.870 -0.010 0.000 1.092 126 L CA 2.025 56.850 54.840 -0.025 0.000 0.759 126 L CB -0.710 41.333 42.059 -0.026 0.000 0.903 126 L HN 0.602 nan 8.230 nan 0.000 0.435 127 S N -1.971 113.738 115.700 0.016 0.000 2.406 127 S HA -0.174 4.297 4.470 0.001 0.000 0.228 127 S C 1.818 176.453 174.600 0.058 0.000 1.020 127 S CA 0.796 59.014 58.200 0.029 0.000 0.965 127 S CB -0.500 62.717 63.200 0.027 0.000 0.798 127 S HN 0.609 nan 8.310 nan 0.000 0.488 128 Q N 1.254 121.097 119.800 0.072 0.000 2.123 128 Q HA 0.147 4.488 4.340 0.001 0.000 0.199 128 Q C 2.596 178.697 176.000 0.169 0.000 0.966 128 Q CA 1.177 57.045 55.803 0.109 0.000 0.845 128 Q CB -0.479 28.316 28.738 0.095 0.000 0.907 128 Q HN 0.719 nan 8.270 nan 0.000 0.439 129 A N 1.641 124.540 122.820 0.132 0.000 1.858 129 A HA -0.194 4.127 4.320 0.001 0.000 0.216 129 A C 2.045 179.706 177.584 0.128 0.000 1.190 129 A CA 1.310 53.420 52.037 0.121 0.000 0.617 129 A CB -0.415 18.416 19.000 -0.282 0.000 0.827 129 A HN 0.196 nan 8.150 nan 0.000 0.443 130 R N -0.568 119.962 120.500 0.050 0.000 2.096 130 R HA -0.160 4.180 4.340 0.001 0.000 0.235 130 R C 1.974 178.349 176.300 0.125 0.000 1.127 130 R CA 1.585 57.722 56.100 0.060 0.000 0.968 130 R CB -0.457 29.853 30.300 0.017 0.000 0.861 130 R HN 0.724 nan 8.270 nan 0.000 0.440 131 D N 0.160 120.646 120.400 0.143 0.000 2.117 131 D HA -0.198 4.443 4.640 0.001 0.000 0.198 131 D C 1.614 178.048 176.300 0.223 0.000 0.982 131 D CA 0.887 54.984 54.000 0.162 0.000 0.828 131 D CB -0.042 40.847 40.800 0.149 0.000 0.967 131 D HN 0.140 nan 8.370 nan 0.000 0.464 132 F N 0.818 120.866 119.950 0.162 0.000 2.146 132 F HA -0.063 4.465 4.527 0.001 0.000 0.298 132 F C 1.894 177.862 175.800 0.279 0.000 1.096 132 F CA 0.981 59.115 58.000 0.223 0.000 1.275 132 F CB -0.229 38.901 39.000 0.217 0.000 1.008 132 F HN -0.017 nan 8.300 nan 0.000 0.480 133 I N 0.900 121.491 120.570 0.035 0.000 2.226 133 I HA -0.294 3.877 4.170 0.001 0.000 0.245 133 I C 2.022 178.232 176.117 0.156 0.000 1.100 133 I CA 1.157 62.492 61.300 0.059 0.000 1.374 133 I CB -1.645 36.496 38.000 0.235 0.000 1.057 133 I HN 0.229 nan 8.210 nan 0.000 0.413 134 N N 0.873 119.686 118.700 0.189 0.000 2.120 134 N HA -0.186 4.554 4.740 0.001 0.000 0.188 134 N C 1.856 177.368 175.510 0.002 0.000 1.024 134 N CA 1.094 54.256 53.050 0.187 0.000 0.852 134 N CB -0.264 38.331 38.487 0.180 0.000 1.003 134 N HN 0.506 nan 8.380 nan 0.000 0.424 135 Q N -0.763 119.040 119.800 0.005 0.000 2.119 135 Q HA -0.156 4.185 4.340 0.001 0.000 0.201 135 Q C 1.726 177.587 176.000 -0.232 0.000 0.972 135 Q CA 1.086 56.904 55.803 0.026 0.000 0.847 135 Q CB -0.173 28.708 28.738 0.239 0.000 0.903 135 Q HN 0.461 nan 8.270 nan 0.000 0.433 136 Y N -0.154 119.778 120.300 -0.613 0.000 2.133 136 Y HA -0.271 4.280 4.550 0.001 0.000 0.287 136 Y C 1.632 176.998 175.900 -0.889 0.000 1.134 136 Y CA 1.543 58.955 58.100 -1.146 0.000 1.133 136 Y CB -0.412 37.439 38.460 -1.014 0.000 0.987 136 Y HN 0.060 nan 8.280 nan 0.000 0.502 137 Y N -0.755 119.156 120.300 -0.649 0.000 2.421 137 Y HA -0.156 4.395 4.550 0.001 0.000 0.292 137 Y C 2.996 178.543 175.900 -0.588 0.000 1.136 137 Y CA 1.589 59.277 58.100 -0.686 0.000 1.255 137 Y CB -0.608 37.424 38.460 -0.713 0.000 0.991 137 Y HN 0.209 nan 8.280 nan 0.000 0.552 138 S N -0.758 114.716 115.700 -0.375 0.000 2.406 138 S HA -0.168 4.303 4.470 0.001 0.000 0.228 138 S C 2.372 176.804 174.600 -0.280 0.000 1.020 138 S CA 1.214 59.263 58.200 -0.252 0.000 0.965 138 S CB -0.550 62.561 63.200 -0.149 0.000 0.798 138 S HN 0.590 nan 8.310 nan 0.000 0.488 139 S N 2.215 117.646 115.700 -0.449 0.000 2.382 139 S HA -0.070 4.401 4.470 0.001 0.000 0.228 139 S C 1.693 176.061 174.600 -0.387 0.000 1.027 139 S CA 1.182 59.136 58.200 -0.410 0.000 0.991 139 S CB -0.948 61.814 63.200 -0.731 0.000 0.823 139 S HN 0.782 nan 8.310 nan 0.000 0.469 140 I N -2.304 117.937 120.570 -0.549 0.000 3.810 140 I HA 0.456 4.627 4.170 0.001 0.000 0.322 140 I C 0.463 176.434 176.117 -0.243 0.000 1.288 140 I CA -0.409 60.651 61.300 -0.402 0.000 1.143 140 I CB -0.449 37.231 38.000 -0.532 0.000 1.012 140 I HN 0.041 nan 8.210 nan 0.000 0.423 141 K N 0.542 120.813 120.400 -0.214 0.000 3.426 141 K HA -0.172 4.149 4.320 0.001 0.000 0.315 141 K C 0.796 177.335 176.600 -0.102 0.000 1.293 141 K CA 0.947 57.154 56.287 -0.133 0.000 0.955 141 K CB -1.198 31.246 32.500 -0.094 0.000 1.238 141 K HN 0.359 nan 8.250 nan 0.000 0.441 142 R N 0.627 121.068 120.500 -0.099 0.000 2.363 142 R HA 0.112 4.453 4.340 0.001 0.000 0.236 142 R C 0.101 176.367 176.300 -0.058 0.000 0.966 142 R CA 0.056 56.141 56.100 -0.025 0.000 1.100 142 R CB 0.319 30.670 30.300 0.086 0.000 1.125 142 R HN 0.135 nan 8.270 nan 0.000 0.514 143 S N 0.114 115.739 115.700 -0.125 0.000 2.571 143 S HA 0.219 4.690 4.470 0.001 0.000 0.297 143 S C 1.280 175.864 174.600 -0.028 0.000 1.234 143 S CA 1.115 59.204 58.200 -0.184 0.000 1.120 143 S CB 0.008 63.123 63.200 -0.143 0.000 0.923 143 S HN 0.719 nan 8.310 nan 0.000 0.504 144 G N 3.290 112.170 108.800 0.133 0.000 2.259 144 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 144 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 144 G C 0.317 175.241 174.900 0.040 0.000 1.001 144 G CA 0.137 45.310 45.100 0.122 0.000 0.627 144 G HN 1.458 nan 8.290 nan 0.000 0.501 145 S N 0.387 116.089 115.700 0.003 0.000 2.592 145 S HA 0.373 4.843 4.470 0.001 0.000 0.256 145 S C 1.339 175.906 174.600 -0.055 0.000 1.369 145 S CA 0.824 59.008 58.200 -0.027 0.000 0.984 145 S CB 0.851 64.036 63.200 -0.025 0.000 0.919 145 S HN 0.229 nan 8.310 nan 0.000 0.576 146 Q N 0.361 120.131 119.800 -0.050 0.000 2.297 146 Q HA 0.089 4.430 4.340 0.001 0.000 0.204 146 Q C 2.372 178.320 176.000 -0.087 0.000 0.962 146 Q CA 1.471 57.237 55.803 -0.062 0.000 0.879 146 Q CB -1.291 27.424 28.738 -0.037 0.000 0.947 146 Q HN 0.869 nan 8.270 nan 0.000 0.462 147 A N 0.139 122.904 122.820 -0.092 0.000 1.930 147 A HA -0.203 4.118 4.320 0.001 0.000 0.217 147 A C 1.990 179.357 177.584 -0.362 0.000 1.175 147 A CA 1.498 53.474 52.037 -0.102 0.000 0.627 147 A CB -0.747 18.275 19.000 0.037 0.000 0.815 147 A HN 0.531 nan 8.150 nan 0.000 0.443 148 H N -0.493 118.128 119.070 -0.748 0.000 2.270 148 H HA -0.130 4.427 4.556 0.001 0.000 0.299 148 H C 2.084 177.152 175.328 -0.434 0.000 1.077 148 H CA 1.678 57.119 56.048 -1.011 0.000 1.294 148 H CB 0.064 29.413 29.762 -0.688 0.000 1.371 148 H HN 0.567 nan 8.280 nan 0.000 0.491 149 E N 0.241 120.245 120.200 -0.326 0.000 2.118 149 E HA -0.179 4.172 4.350 0.001 0.000 0.195 149 E C 2.190 178.684 176.600 -0.177 0.000 0.992 149 E CA 1.439 57.669 56.400 -0.284 0.000 0.804 149 E CB 0.069 29.657 29.700 -0.186 0.000 0.741 149 E HN 0.622 nan 8.360 nan 0.000 0.458 150 E N -0.068 120.055 120.200 -0.129 0.000 2.152 150 E HA -0.141 4.210 4.350 0.001 0.000 0.192 150 E C 2.042 178.623 176.600 -0.031 0.000 0.983 150 E CA 0.426 56.788 56.400 -0.064 0.000 0.818 150 E CB 0.099 29.779 29.700 -0.034 0.000 0.758 150 E HN -0.048 nan 8.360 nan 0.000 0.467 151 R N 1.084 121.566 120.500 -0.030 0.000 2.090 151 R HA -0.036 4.305 4.340 0.001 0.000 0.228 151 R C 1.966 178.286 176.300 0.033 0.000 1.110 151 R CA 0.952 57.095 56.100 0.071 0.000 0.973 151 R CB -0.395 30.047 30.300 0.237 0.000 0.869 151 R HN 0.134 nan 8.270 nan 0.000 0.440 152 L N -0.070 121.125 121.223 -0.047 0.000 2.093 152 L HA -0.130 4.211 4.340 0.001 0.000 0.208 152 L C 2.414 179.242 176.870 -0.069 0.000 1.085 152 L CA 1.398 56.191 54.840 -0.077 0.000 0.755 152 L CB -0.390 41.566 42.059 -0.171 0.000 0.904 152 L HN 0.228 nan 8.230 nan 0.000 0.435 153 Q N 0.270 120.032 119.800 -0.063 0.000 2.079 153 Q HA -0.200 4.141 4.340 0.001 0.000 0.200 153 Q C 2.038 178.027 176.000 -0.019 0.000 0.974 153 Q CA 1.561 57.337 55.803 -0.044 0.000 0.840 153 Q CB 0.017 28.731 28.738 -0.040 0.000 0.898 153 Q HN 0.399 nan 8.270 nan 0.000 0.430 154 E N -1.066 119.134 120.200 0.001 0.000 2.085 154 E HA -0.170 4.181 4.350 0.001 0.000 0.194 154 E C 1.923 178.540 176.600 0.029 0.000 0.994 154 E CA 1.414 57.833 56.400 0.032 0.000 0.801 154 E CB 0.017 29.755 29.700 0.063 0.000 0.743 154 E HN 0.181 nan 8.360 nan 0.000 0.453 155 V N 1.488 121.393 119.914 -0.015 0.000 2.307 155 V HA -0.254 3.867 4.120 0.001 0.000 0.245 155 V C 2.016 178.044 176.094 -0.110 0.000 1.045 155 V CA 1.886 64.114 62.300 -0.119 0.000 1.024 155 V CB -0.432 31.221 31.823 -0.284 0.000 0.651 155 V HN 0.250 nan 8.190 nan 0.000 0.449 156 E N 0.428 120.580 120.200 -0.080 0.000 2.051 156 E HA -0.220 4.131 4.350 0.001 0.000 0.192 156 E C 2.336 178.925 176.600 -0.017 0.000 0.991 156 E CA 1.380 57.747 56.400 -0.054 0.000 0.799 156 E CB -0.395 29.277 29.700 -0.047 0.000 0.748 156 E HN 0.591 nan 8.360 nan 0.000 0.449 157 A N 1.420 124.238 122.820 -0.003 0.000 1.908 157 A HA -0.278 4.043 4.320 0.001 0.000 0.218 157 A C 2.066 179.673 177.584 0.038 0.000 1.181 157 A CA 1.782 53.828 52.037 0.016 0.000 0.627 157 A CB -0.482 18.529 19.000 0.020 0.000 0.818 157 A HN 0.242 nan 8.150 nan 0.000 0.445 158 E N -0.580 119.655 120.200 0.059 0.000 2.106 158 E HA -0.091 4.260 4.350 0.001 0.000 0.192 158 E C 1.839 178.501 176.600 0.103 0.000 0.984 158 E CA 1.122 57.584 56.400 0.103 0.000 0.806 158 E CB -0.027 29.775 29.700 0.171 0.000 0.750 158 E HN 0.353 nan 8.360 nan 0.000 0.458 159 V N 0.737 120.696 119.914 0.075 0.000 2.379 159 V HA -0.162 3.959 4.120 0.001 0.000 0.245 159 V C 2.299 178.420 176.094 0.045 0.000 1.044 159 V CA 1.580 63.921 62.300 0.069 0.000 1.036 159 V CB -0.401 31.441 31.823 0.031 0.000 0.664 159 V HN 0.376 nan 8.190 nan 0.000 0.453 160 A N -0.441 122.396 122.820 0.028 0.000 1.972 160 A HA -0.154 4.166 4.320 0.001 0.000 0.219 160 A C 2.390 179.991 177.584 0.028 0.000 1.169 160 A CA 2.203 54.253 52.037 0.022 0.000 0.635 160 A CB -0.356 18.651 19.000 0.012 0.000 0.810 160 A HN 0.529 nan 8.150 nan 0.000 0.446 161 S N -1.576 114.146 115.700 0.037 0.000 2.483 161 S HA 0.018 4.488 4.470 0.001 0.000 0.221 161 S C 1.547 176.175 174.600 0.046 0.000 1.030 161 S CA 1.168 59.391 58.200 0.038 0.000 0.925 161 S CB 0.202 63.426 63.200 0.041 0.000 0.795 161 S HN 0.609 nan 8.310 nan 0.000 0.511 162 T N -0.104 114.485 114.554 0.059 0.000 2.971 162 T HA 0.389 4.740 4.350 0.001 0.000 0.252 162 T C 1.445 176.179 174.700 0.056 0.000 1.022 162 T CA 0.564 62.703 62.100 0.065 0.000 0.980 162 T CB 0.593 69.518 68.868 0.095 0.000 1.044 162 T HN 0.485 nan 8.240 nan 0.000 0.501 163 G N 1.457 110.290 108.800 0.054 0.000 2.184 163 G HA2 -0.238 3.723 3.960 0.001 0.000 0.264 163 G HA3 -0.238 3.723 3.960 0.001 0.000 0.264 163 G C 0.319 175.250 174.900 0.052 0.000 0.975 163 G CA 0.787 45.914 45.100 0.044 0.000 0.642 163 G HN 0.792 nan 8.290 nan 0.000 0.536 164 T N -1.505 113.093 114.554 0.073 0.000 2.731 164 T HA 0.707 5.058 4.350 0.001 0.000 0.300 164 T C -1.058 173.738 174.700 0.160 0.000 1.283 164 T CA 0.405 62.545 62.100 0.066 0.000 1.005 164 T CB 1.583 70.413 68.868 -0.062 0.000 1.420 164 T HN 1.544 nan 8.240 nan 0.000 0.503 165 Y N -0.772 119.456 120.300 -0.119 0.000 2.840 165 Y HA 0.803 5.354 4.550 0.001 0.000 0.324 165 Y C -1.203 174.542 175.900 -0.259 0.000 1.378 165 Y CA -1.115 56.955 58.100 -0.050 0.000 1.077 165 Y CB 0.905 39.380 38.460 0.025 0.000 1.361 165 Y HN 0.720 nan 8.280 nan 0.000 0.459 166 H N 0.604 119.666 119.070 -0.013 0.000 2.928 166 H HA 0.606 5.163 4.556 0.001 0.000 0.371 166 H C -1.320 174.034 175.328 0.043 0.000 1.186 166 H CA -0.845 55.144 56.048 -0.100 0.000 1.134 166 H CB 2.660 32.427 29.762 0.008 0.000 1.824 166 H HN 0.596 nan 8.280 nan 0.000 0.554 167 L N 1.798 123.097 121.223 0.128 0.000 2.344 167 L HA 0.418 4.759 4.340 0.001 0.000 0.272 167 L C 0.601 177.545 176.870 0.124 0.000 1.035 167 L CA -1.030 53.909 54.840 0.165 0.000 0.807 167 L CB 0.938 43.065 42.059 0.113 0.000 1.237 167 L HN 0.296 nan 8.230 nan 0.000 0.442 168 R N 1.063 121.617 120.500 0.090 0.000 2.560 168 R HA 0.074 4.415 4.340 0.001 0.000 0.270 168 R C 0.872 177.169 176.300 -0.005 0.000 1.074 168 R CA -0.288 55.832 56.100 0.033 0.000 1.140 168 R CB 0.742 31.041 30.300 -0.001 0.000 1.073 168 R HN 0.680 nan 8.270 nan 0.000 0.527 169 E N 1.055 121.251 120.200 -0.007 0.000 2.058 169 E HA -0.218 4.133 4.350 0.001 0.000 0.194 169 E C 1.422 178.009 176.600 -0.021 0.000 0.997 169 E CA 2.073 58.460 56.400 -0.021 0.000 0.801 169 E CB 0.188 29.881 29.700 -0.012 0.000 0.746 169 E HN 0.667 nan 8.360 nan 0.000 0.450 170 S N 0.181 115.868 115.700 -0.022 0.000 2.399 170 S HA -0.195 4.276 4.470 0.001 0.000 0.231 170 S C 1.736 176.316 174.600 -0.034 0.000 1.022 170 S CA 1.338 59.545 58.200 0.011 0.000 0.983 170 S CB -0.297 62.930 63.200 0.046 0.000 0.803 170 S HN 0.323 nan 8.310 nan 0.000 0.480 171 E N 0.846 120.906 120.200 -0.233 0.000 2.072 171 E HA 0.012 4.363 4.350 0.001 0.000 0.190 171 E C 2.034 178.765 176.600 0.218 0.000 0.982 171 E CA 0.996 57.273 56.400 -0.205 0.000 0.803 171 E CB -0.294 29.302 29.700 -0.173 0.000 0.755 171 E HN 0.465 nan 8.360 nan 0.000 0.453 172 L N 0.687 121.941 121.223 0.053 0.000 2.141 172 L HA -0.125 4.216 4.340 0.001 0.000 0.209 172 L C 2.072 178.922 176.870 -0.033 0.000 1.094 172 L CA 1.100 55.906 54.840 -0.058 0.000 0.763 172 L CB 0.031 41.993 42.059 -0.160 0.000 0.908 172 L HN -0.068 nan 8.230 nan 0.000 0.437 173 V N -0.700 119.239 119.914 0.041 0.000 2.379 173 V HA -0.250 3.870 4.120 0.001 0.000 0.245 173 V C 2.245 178.439 176.094 0.167 0.000 1.044 173 V CA 1.887 64.224 62.300 0.061 0.000 1.036 173 V CB -0.802 31.059 31.823 0.064 0.000 0.664 173 V HN 0.566 nan 8.190 nan 0.000 0.453 174 F N 2.159 122.202 119.950 0.155 0.000 2.134 174 F HA 0.001 4.529 4.527 0.001 0.000 0.299 174 F C 2.123 178.086 175.800 0.272 0.000 1.097 174 F CA 1.605 59.757 58.000 0.253 0.000 1.264 174 F CB -0.912 38.320 39.000 0.386 0.000 1.001 174 F HN 0.116 nan 8.300 nan 0.000 0.479 175 G N 0.029 108.898 108.800 0.115 0.000 2.433 175 G HA2 -0.240 3.720 3.960 0.001 0.000 0.216 175 G HA3 -0.240 3.720 3.960 0.001 0.000 0.216 175 G C 1.865 176.636 174.900 -0.215 0.000 1.186 175 G CA 1.017 46.065 45.100 -0.086 0.000 0.779 175 G HN 0.633 nan 8.290 nan 0.000 0.543 176 A N 0.798 123.523 122.820 -0.159 0.000 1.908 176 A HA -0.059 4.262 4.320 0.001 0.000 0.218 176 A C 2.315 179.912 177.584 0.022 0.000 1.181 176 A CA 2.099 54.055 52.037 -0.135 0.000 0.627 176 A CB -0.379 18.570 19.000 -0.086 0.000 0.818 176 A HN 0.406 nan 8.150 nan 0.000 0.445 177 K N -1.216 119.238 120.400 0.089 0.000 2.097 177 K HA -0.159 4.162 4.320 0.001 0.000 0.205 177 K C 2.311 179.033 176.600 0.203 0.000 1.050 177 K CA 1.504 57.965 56.287 0.291 0.000 0.938 177 K CB -0.095 32.610 32.500 0.341 0.000 0.718 177 K HN 0.464 nan 8.250 nan 0.000 0.442 178 Q N 0.604 120.334 119.800 -0.117 0.000 2.172 178 Q HA -0.015 4.326 4.340 0.001 0.000 0.200 178 Q C 1.794 177.666 176.000 -0.213 0.000 0.964 178 Q CA 1.347 56.968 55.803 -0.304 0.000 0.855 178 Q CB -0.061 28.374 28.738 -0.505 0.000 0.918 178 Q HN 0.319 nan 8.270 nan 0.000 0.444 179 A N -0.520 122.193 122.820 -0.178 0.000 1.877 179 A HA -0.183 4.138 4.320 0.001 0.000 0.216 179 A C 1.808 179.453 177.584 0.100 0.000 1.186 179 A CA 1.440 53.338 52.037 -0.233 0.000 0.620 179 A CB -1.183 17.386 19.000 -0.717 0.000 0.822 179 A HN 0.699 nan 8.150 nan 0.000 0.443 180 W N 0.954 122.289 121.300 0.059 0.000 2.379 180 W HA -0.110 4.551 4.660 0.001 0.000 0.307 180 W C 2.367 178.839 176.519 -0.078 0.000 1.200 180 W CA 1.490 58.872 57.345 0.061 0.000 1.297 180 W CB -0.690 28.804 29.460 0.057 0.000 1.140 180 W HN 0.371 nan 8.180 nan 0.000 0.507 181 R N 0.313 120.744 120.500 -0.115 0.000 2.105 181 R HA -0.196 4.145 4.340 0.001 0.000 0.239 181 R C 1.578 177.701 176.300 -0.294 0.000 1.135 181 R CA 1.893 57.676 56.100 -0.529 0.000 0.967 181 R CB -0.583 29.049 30.300 -1.113 0.000 0.861 181 R HN 0.094 nan 8.270 nan 0.000 0.442 182 N N 0.313 118.902 118.700 -0.184 0.000 2.467 182 N HA 0.017 4.758 4.740 0.001 0.000 0.184 182 N C -0.332 175.129 175.510 -0.080 0.000 1.106 182 N CA 0.643 53.612 53.050 -0.134 0.000 0.892 182 N CB 0.354 38.766 38.487 -0.124 0.000 0.969 182 N HN 0.178 nan 8.380 nan 0.000 0.454 183 A N 2.129 124.948 122.820 -0.001 0.000 2.473 183 A HA 0.198 4.519 4.320 0.001 0.000 0.282 183 A C -1.209 176.350 177.584 -0.041 0.000 1.163 183 A CA -0.880 51.157 52.037 0.001 0.000 0.827 183 A CB 0.261 19.303 19.000 0.070 0.000 1.098 183 A HN 0.026 nan 8.150 nan 0.000 0.515 184 P HA -0.141 nan 4.420 nan 0.000 0.216 184 P C 1.059 178.308 177.300 -0.085 0.000 1.150 184 P CA 1.211 64.252 63.100 -0.098 0.000 0.837 184 P CB 0.128 31.740 31.700 -0.147 0.000 0.786 185 R N -2.001 118.407 120.500 -0.153 0.000 2.313 185 R HA 0.132 4.473 4.340 0.001 0.000 0.199 185 R C 0.247 176.538 176.300 -0.015 0.000 0.958 185 R CA -0.124 55.901 56.100 -0.124 0.000 1.047 185 R CB -0.655 29.361 30.300 -0.472 0.000 0.955 185 R HN 0.191 nan 8.270 nan 0.000 0.481 186 C N 0.479 119.762 119.300 -0.029 0.000 2.285 186 C HA 0.227 4.688 4.460 0.001 0.000 0.335 186 C C 1.769 176.713 174.990 -0.078 0.000 1.267 186 C CA -0.652 58.377 59.018 0.018 0.000 1.762 186 C CB 0.735 28.559 27.740 0.141 0.000 2.365 186 C HN 0.287 nan 8.230 nan 0.000 0.527 187 V N 5.913 125.752 119.914 -0.126 0.000 3.623 187 V HA 0.239 4.360 4.120 0.001 0.000 0.271 187 V C 1.679 177.793 176.094 0.035 0.000 1.248 187 V CA 1.806 63.945 62.300 -0.267 0.000 1.156 187 V CB -0.037 31.635 31.823 -0.251 0.000 0.870 187 V HN 1.070 nan 8.190 nan 0.000 0.453 188 G N -0.509 108.343 108.800 0.087 0.000 3.448 188 G HA2 0.074 4.035 3.960 0.001 0.000 0.261 188 G HA3 0.074 4.035 3.960 0.001 0.000 0.261 188 G C 1.131 176.037 174.900 0.010 0.000 1.173 188 G CA -0.387 44.777 45.100 0.107 0.000 0.835 188 G HN 0.426 nan 8.290 nan 0.000 0.534 189 R N -0.128 120.283 120.500 -0.148 0.000 2.357 189 R HA 0.149 4.490 4.340 0.001 0.000 0.202 189 R C 1.838 177.704 176.300 -0.724 0.000 1.047 189 R CA 0.099 55.809 56.100 -0.649 0.000 1.034 189 R CB -0.096 29.792 30.300 -0.687 0.000 0.875 189 R HN 0.445 nan 8.270 nan 0.000 0.473 190 I N 0.642 121.000 120.570 -0.353 0.000 2.546 190 I HA -0.190 3.981 4.170 0.001 0.000 0.255 190 I C 1.213 177.255 176.117 -0.125 0.000 1.163 190 I CA 1.090 62.341 61.300 -0.081 0.000 1.457 190 I CB 0.226 38.260 38.000 0.057 0.000 1.092 190 I HN 0.171 nan 8.210 nan 0.000 0.434 191 Q N 0.748 120.402 119.800 -0.243 0.000 2.365 191 Q HA -0.099 4.242 4.340 0.001 0.000 0.203 191 Q C 1.563 177.178 176.000 -0.642 0.000 0.929 191 Q CA 0.231 55.887 55.803 -0.244 0.000 0.948 191 Q CB -0.190 28.548 28.738 0.000 0.000 1.043 191 Q HN 0.766 nan 8.270 nan 0.000 0.505 192 W N -0.028 120.625 121.300 -1.078 0.000 2.331 192 W HA -0.142 4.519 4.660 0.001 0.000 0.291 192 W C 1.117 177.400 176.519 -0.393 0.000 1.214 192 W CA 1.265 57.888 57.345 -1.203 0.000 1.228 192 W CB -1.100 27.820 29.460 -0.900 0.000 1.135 192 W HN 0.087 nan 8.180 nan 0.000 0.537 193 G N 1.121 109.345 108.800 -0.961 0.000 2.572 193 G HA2 -0.178 3.783 3.960 0.001 0.000 0.216 193 G HA3 -0.178 3.783 3.960 0.001 0.000 0.216 193 G C 0.881 175.611 174.900 -0.284 0.000 1.133 193 G CA 0.022 44.622 45.100 -0.833 0.000 0.791 193 G HN 0.239 nan 8.290 nan 0.000 0.538 194 K N 0.337 120.656 120.400 -0.134 0.000 2.231 194 K HA 0.485 4.806 4.320 0.001 0.000 0.255 194 K C -1.518 175.200 176.600 0.198 0.000 1.108 194 K CA -0.591 55.717 56.287 0.035 0.000 0.997 194 K CB 0.114 32.654 32.500 0.067 0.000 1.549 194 K HN 0.081 nan 8.250 nan 0.000 0.419 195 L N 3.207 124.524 121.223 0.157 0.000 2.439 195 L HA 0.298 4.638 4.340 0.001 0.000 0.270 195 L C -1.259 175.608 176.870 -0.005 0.000 0.972 195 L CA -0.439 54.496 54.840 0.159 0.000 0.836 195 L CB 1.890 44.112 42.059 0.271 0.000 1.255 195 L HN 0.421 nan 8.230 nan 0.000 0.404 196 Q N 3.673 123.417 119.800 -0.093 0.000 2.323 196 Q HA 0.436 4.777 4.340 0.001 0.000 0.257 196 Q C -1.491 174.161 176.000 -0.579 0.000 1.022 196 Q CA -0.084 55.493 55.803 -0.377 0.000 0.919 196 Q CB 0.889 29.319 28.738 -0.514 0.000 1.220 196 Q HN 0.514 nan 8.270 nan 0.000 0.427 197 V N 6.326 125.958 119.914 -0.469 0.000 2.348 197 V HA 0.319 4.440 4.120 0.001 0.000 0.270 197 V C -0.515 175.315 176.094 -0.441 0.000 1.037 197 V CA -0.526 61.550 62.300 -0.374 0.000 0.872 197 V CB -0.197 31.515 31.823 -0.184 0.000 1.002 197 V HN 0.600 nan 8.190 nan 0.000 0.464 198 F N 2.756 122.610 119.950 -0.160 0.000 2.390 198 F HA 0.323 4.851 4.527 0.001 0.000 0.361 198 F C 0.699 176.356 175.800 -0.237 0.000 1.124 198 F CA -1.087 56.808 58.000 -0.176 0.000 1.149 198 F CB 0.663 39.574 39.000 -0.150 0.000 1.160 198 F HN 0.425 nan 8.300 nan 0.000 0.501 199 D N 3.357 123.743 120.400 -0.023 0.000 2.344 199 D HA 0.317 4.958 4.640 0.001 0.000 0.253 199 D C 0.228 176.382 176.300 -0.243 0.000 1.255 199 D CA 0.184 54.098 54.000 -0.143 0.000 0.894 199 D CB 0.994 41.746 40.800 -0.080 0.000 1.067 199 D HN 0.619 nan 8.370 nan 0.000 0.492 200 A N 4.588 127.087 122.820 -0.534 0.000 2.630 200 A HA 0.150 4.471 4.320 0.001 0.000 0.290 200 A C 1.581 178.837 177.584 -0.546 0.000 1.267 200 A CA -0.394 51.049 52.037 -0.990 0.000 0.950 200 A CB 0.069 17.900 19.000 -1.948 0.000 1.144 200 A HN 0.535 nan 8.150 nan 0.000 0.527 201 R N 0.967 121.302 120.500 -0.274 0.000 2.280 201 R HA -0.050 4.291 4.340 0.001 0.000 0.207 201 R C -0.133 176.124 176.300 -0.072 0.000 1.043 201 R CA 1.069 57.090 56.100 -0.131 0.000 1.006 201 R CB 0.007 30.288 30.300 -0.032 0.000 0.885 201 R HN 0.609 nan 8.270 nan 0.000 0.467 202 D N -0.168 120.210 120.400 -0.036 0.000 3.072 202 D HA 0.020 4.661 4.640 0.001 0.000 0.250 202 D C -0.596 175.780 176.300 0.126 0.000 1.304 202 D CA -0.334 53.697 54.000 0.052 0.000 0.861 202 D CB -0.288 40.560 40.800 0.079 0.000 1.062 202 D HN -0.037 nan 8.370 nan 0.000 0.481 203 C N 0.865 120.209 119.300 0.074 0.000 2.417 203 C HA 0.629 5.090 4.460 0.001 0.000 0.324 203 C C 1.119 176.222 174.990 0.190 0.000 1.240 203 C CA -0.152 58.972 59.018 0.177 0.000 1.632 203 C CB 1.041 28.881 27.740 0.167 0.000 2.241 203 C HN 0.508 nan 8.230 nan 0.000 0.499 204 S N 1.817 117.681 115.700 0.274 0.000 2.787 204 S HA 0.326 4.796 4.470 0.001 0.000 0.255 204 S C -0.084 174.689 174.600 0.288 0.000 1.051 204 S CA 0.197 58.590 58.200 0.321 0.000 1.124 204 S CB -0.244 63.078 63.200 0.203 0.000 1.104 204 S HN 1.279 nan 8.310 nan 0.000 0.623 205 S N -0.319 115.549 115.700 0.281 0.000 2.570 205 S HA 0.827 5.298 4.470 0.001 0.000 0.270 205 S C 0.835 175.543 174.600 0.179 0.000 1.149 205 S CA -0.331 57.984 58.200 0.191 0.000 0.837 205 S CB 1.037 64.322 63.200 0.142 0.000 1.124 205 S HN 0.525 nan 8.310 nan 0.000 0.465 206 A N 0.854 123.755 122.820 0.136 0.000 1.933 206 A HA -0.088 4.233 4.320 0.001 0.000 0.218 206 A C 2.119 179.685 177.584 -0.030 0.000 1.175 206 A CA 2.191 54.292 52.037 0.107 0.000 0.628 206 A CB -1.223 17.923 19.000 0.244 0.000 0.814 206 A HN 0.900 nan 8.150 nan 0.000 0.444 207 Q N 0.261 120.124 119.800 0.106 0.000 2.096 207 Q HA -0.208 4.133 4.340 0.001 0.000 0.204 207 Q C 1.829 177.826 176.000 -0.005 0.000 0.982 207 Q CA 2.382 58.202 55.803 0.028 0.000 0.850 207 Q CB -0.374 28.468 28.738 0.175 0.000 0.901 207 Q HN 0.761 nan 8.270 nan 0.000 0.422 208 E N -0.704 119.544 120.200 0.079 0.000 2.106 208 E HA -0.169 4.182 4.350 0.001 0.000 0.192 208 E C 2.046 178.787 176.600 0.234 0.000 0.984 208 E CA 1.273 57.751 56.400 0.129 0.000 0.806 208 E CB -0.152 29.678 29.700 0.217 0.000 0.750 208 E HN 0.459 nan 8.360 nan 0.000 0.458 209 M N -0.022 119.686 119.600 0.181 0.000 2.108 209 M HA -0.182 4.299 4.480 0.001 0.000 0.261 209 M C 2.170 178.556 176.300 0.143 0.000 1.066 209 M CA 1.260 56.648 55.300 0.146 0.000 1.107 209 M CB -0.271 32.177 32.600 -0.252 0.000 1.356 209 M HN 0.109 nan 8.290 nan 0.000 0.406 210 F N 1.070 120.836 119.950 -0.306 0.000 2.102 210 F HA -0.202 4.326 4.527 0.001 0.000 0.298 210 F C 2.334 178.034 175.800 -0.166 0.000 1.105 210 F CA 1.866 59.626 58.000 -0.400 0.000 1.239 210 F CB -0.842 37.611 39.000 -0.913 0.000 0.991 210 F HN 0.044 nan 8.300 nan 0.000 0.474 211 T N -0.458 113.961 114.554 -0.225 0.000 2.708 211 T HA -0.226 4.125 4.350 0.001 0.000 0.266 211 T C 1.735 176.279 174.700 -0.260 0.000 1.037 211 T CA 1.815 63.722 62.100 -0.322 0.000 1.146 211 T CB -0.722 67.991 68.868 -0.258 0.000 0.865 211 T HN 0.257 nan 8.240 nan 0.000 0.435 212 Y N 1.100 121.349 120.300 -0.086 0.000 2.128 212 Y HA -0.066 4.485 4.550 0.001 0.000 0.284 212 Y C 2.265 178.116 175.900 -0.081 0.000 1.154 212 Y CA 0.666 58.721 58.100 -0.075 0.000 1.149 212 Y CB -0.607 37.891 38.460 0.063 0.000 0.976 212 Y HN 0.182 nan 8.280 nan 0.000 0.505 213 I N -1.527 119.148 120.570 0.175 0.000 2.208 213 I HA -0.381 3.790 4.170 0.001 0.000 0.245 213 I C 2.330 178.422 176.117 -0.043 0.000 1.097 213 I CA 1.177 62.525 61.300 0.080 0.000 1.363 213 I CB -0.519 37.530 38.000 0.082 0.000 1.051 213 I HN 0.276 nan 8.210 nan 0.000 0.413 214 C N 0.789 119.954 119.300 -0.224 0.000 2.422 214 C HA -0.122 4.339 4.460 0.001 0.000 0.279 214 C C 2.533 177.433 174.990 -0.149 0.000 1.305 214 C CA 0.809 59.670 59.018 -0.261 0.000 1.757 214 C CB -1.435 26.020 27.740 -0.476 0.000 1.962 214 C HN 0.554 nan 8.230 nan 0.000 0.499 215 N N -0.296 118.305 118.700 -0.164 0.000 2.300 215 N HA -0.085 4.655 4.740 0.001 0.000 0.179 215 N C 1.427 176.846 175.510 -0.151 0.000 1.016 215 N CA 1.069 54.004 53.050 -0.192 0.000 0.876 215 N CB -0.669 37.629 38.487 -0.315 0.000 0.979 215 N HN 0.741 nan 8.380 nan 0.000 0.432 216 H N 1.031 119.986 119.070 -0.191 0.000 2.321 216 H HA 0.105 4.661 4.556 0.001 0.000 0.300 216 H C 2.114 177.506 175.328 0.107 0.000 1.087 216 H CA 1.497 57.537 56.048 -0.013 0.000 1.319 216 H CB -0.052 29.744 29.762 0.057 0.000 1.379 216 H HN 0.038 nan 8.280 nan 0.000 0.501 217 I N 0.561 121.297 120.570 0.277 0.000 2.163 217 I HA -0.275 3.896 4.170 0.001 0.000 0.243 217 I C 2.632 178.817 176.117 0.112 0.000 1.085 217 I CA 1.566 62.979 61.300 0.189 0.000 1.347 217 I CB -0.338 37.707 38.000 0.075 0.000 1.044 217 I HN 0.336 nan 8.210 nan 0.000 0.408 218 K N 0.237 120.674 120.400 0.061 0.000 2.097 218 K HA -0.249 4.072 4.320 0.001 0.000 0.206 218 K C 2.339 178.983 176.600 0.074 0.000 1.049 218 K CA 1.594 57.904 56.287 0.039 0.000 0.933 218 K CB -0.183 32.316 32.500 -0.001 0.000 0.717 218 K HN 0.233 nan 8.250 nan 0.000 0.442 219 Y N 0.708 121.008 120.300 -0.001 0.000 2.153 219 Y HA -0.126 4.424 4.550 0.001 0.000 0.289 219 Y C 2.045 177.983 175.900 0.063 0.000 1.127 219 Y CA 1.603 59.733 58.100 0.050 0.000 1.131 219 Y CB -0.519 38.024 38.460 0.139 0.000 0.995 219 Y HN 0.112 nan 8.280 nan 0.000 0.505 220 A N -0.322 122.570 122.820 0.120 0.000 1.883 220 A HA -0.228 4.093 4.320 0.001 0.000 0.217 220 A C 2.212 179.806 177.584 0.017 0.000 1.186 220 A CA 2.625 54.696 52.037 0.057 0.000 0.624 220 A CB -1.463 17.624 19.000 0.146 0.000 0.822 220 A HN 0.542 nan 8.150 nan 0.000 0.444 221 T N -0.418 114.163 114.554 0.046 0.000 2.708 221 T HA -0.157 4.194 4.350 0.001 0.000 0.266 221 T C 1.055 175.744 174.700 -0.017 0.000 1.037 221 T CA 1.147 63.270 62.100 0.039 0.000 1.146 221 T CB -0.594 68.303 68.868 0.048 0.000 0.865 221 T HN 0.745 nan 8.240 nan 0.000 0.435 222 N N 0.719 119.381 118.700 -0.064 0.000 2.714 222 N HA -0.287 4.454 4.740 0.001 0.000 0.252 222 N C -0.368 175.107 175.510 -0.058 0.000 1.014 222 N CA 0.276 53.269 53.050 -0.095 0.000 0.735 222 N CB -0.506 37.880 38.487 -0.170 0.000 0.924 222 N HN 0.399 nan 8.380 nan 0.000 0.540 223 R N -2.214 118.264 120.500 -0.036 0.000 3.863 223 R HA -0.253 4.088 4.340 0.001 0.000 0.313 223 R C 1.212 177.490 176.300 -0.037 0.000 1.202 223 R CA 1.318 57.399 56.100 -0.032 0.000 0.852 223 R CB -1.886 28.394 30.300 -0.034 0.000 1.292 223 R HN 0.850 nan 8.270 nan 0.000 0.519 224 G N -0.484 108.299 108.800 -0.029 0.000 2.253 224 G HA2 -0.319 3.642 3.960 0.001 0.000 0.209 224 G HA3 -0.319 3.642 3.960 0.001 0.000 0.209 224 G C -0.071 174.808 174.900 -0.036 0.000 0.997 224 G CA 0.050 45.132 45.100 -0.031 0.000 0.640 224 G HN 0.448 nan 8.290 nan 0.000 0.496 225 N N 1.315 119.982 118.700 -0.054 0.000 3.229 225 N HA 0.418 5.159 4.740 0.001 0.000 0.275 225 N C 0.280 175.745 175.510 -0.074 0.000 1.225 225 N CA -0.686 52.314 53.050 -0.083 0.000 1.119 225 N CB -0.098 38.337 38.487 -0.088 0.000 1.392 225 N HN 0.134 nan 8.380 nan 0.000 0.520 226 L N 2.071 123.279 121.223 -0.025 0.000 2.554 226 L HA -0.026 4.315 4.340 0.001 0.000 0.293 226 L C 0.695 177.644 176.870 0.131 0.000 1.252 226 L CA 1.199 56.087 54.840 0.080 0.000 0.862 226 L CB 0.071 42.271 42.059 0.235 0.000 1.113 226 L HN 0.386 nan 8.230 nan 0.000 0.510 227 R N 1.061 121.647 120.500 0.143 0.000 2.628 227 R HA 0.443 4.784 4.340 0.001 0.000 0.288 227 R C -0.745 175.693 176.300 0.230 0.000 0.980 227 R CA -0.716 55.492 56.100 0.180 0.000 0.891 227 R CB 1.740 31.984 30.300 -0.093 0.000 1.188 227 R HN 0.565 nan 8.270 nan 0.000 0.450 228 S N 1.522 117.377 115.700 0.259 0.000 2.510 228 S HA 0.470 4.940 4.470 0.001 0.000 0.279 228 S C -0.311 174.330 174.600 0.069 0.000 1.284 228 S CA -0.290 57.961 58.200 0.086 0.000 1.059 228 S CB 1.160 64.376 63.200 0.028 0.000 0.901 228 S HN 0.674 nan 8.310 nan 0.000 0.491 229 A N 3.086 125.908 122.820 0.004 0.000 2.594 229 A HA 0.885 5.206 4.320 0.001 0.000 0.291 229 A C -1.184 176.455 177.584 0.093 0.000 1.105 229 A CA -0.710 51.280 52.037 -0.078 0.000 0.694 229 A CB 1.312 20.192 19.000 -0.200 0.000 1.291 229 A HN 0.804 nan 8.150 nan 0.000 0.410 230 I N 0.238 120.864 120.570 0.093 0.000 2.722 230 I HA 0.537 4.708 4.170 0.001 0.000 0.292 230 I C -1.316 174.931 176.117 0.216 0.000 1.267 230 I CA -0.070 61.393 61.300 0.272 0.000 1.036 230 I CB 2.369 40.462 38.000 0.155 0.000 1.281 230 I HN 0.600 nan 8.210 nan 0.000 0.423 231 T N 6.391 121.085 114.554 0.233 0.000 2.770 231 T HA 0.436 4.787 4.350 0.001 0.000 0.283 231 T C -0.661 173.862 174.700 -0.295 0.000 0.988 231 T CA -0.345 61.738 62.100 -0.029 0.000 0.957 231 T CB 1.485 70.289 68.868 -0.107 0.000 0.930 231 T HN 0.258 nan 8.240 nan 0.000 0.443 232 V N 5.317 124.992 119.914 -0.398 0.000 2.333 232 V HA 0.441 4.562 4.120 0.001 0.000 0.274 232 V C -0.297 175.510 176.094 -0.477 0.000 1.028 232 V CA -0.760 61.311 62.300 -0.383 0.000 0.851 232 V CB -0.210 31.342 31.823 -0.452 0.000 1.000 232 V HN 0.715 nan 8.190 nan 0.000 0.456 233 F N 5.324 125.186 119.950 -0.147 0.000 2.362 233 F HA 0.475 5.003 4.527 0.001 0.000 0.311 233 F C -1.750 173.958 175.800 -0.154 0.000 1.161 233 F CA -2.407 55.445 58.000 -0.247 0.000 1.085 233 F CB 0.165 39.023 39.000 -0.236 0.000 1.311 233 F HN 0.299 nan 8.300 nan 0.000 0.524 234 P HA -0.045 nan 4.420 nan 0.000 0.263 234 P C -0.900 176.437 177.300 0.063 0.000 1.175 234 P CA -0.012 63.011 63.100 -0.127 0.000 0.761 234 P CB 0.181 31.593 31.700 -0.479 0.000 0.794 235 Q N 3.931 123.742 119.800 0.019 0.000 2.584 235 Q HA 0.124 4.465 4.340 0.001 0.000 0.235 235 Q C -0.250 175.658 176.000 -0.153 0.000 1.079 235 Q CA -0.228 55.346 55.803 -0.381 0.000 0.977 235 Q CB 0.557 28.797 28.738 -0.830 0.000 1.293 235 Q HN 0.361 nan 8.270 nan 0.000 0.553 236 R N -0.020 120.353 120.500 -0.213 0.000 2.490 236 R HA 0.498 4.838 4.340 0.001 0.000 0.280 236 R C -0.730 175.510 176.300 -0.100 0.000 1.077 236 R CA 0.022 56.072 56.100 -0.082 0.000 1.065 236 R CB 0.903 31.148 30.300 -0.090 0.000 1.003 236 R HN 0.708 nan 8.270 nan 0.000 0.470 237 A N 3.657 126.460 122.820 -0.027 0.000 2.371 237 A HA 0.415 4.736 4.320 0.001 0.000 0.311 237 A C -1.741 175.834 177.584 -0.015 0.000 1.068 237 A CA -1.601 50.422 52.037 -0.023 0.000 0.744 237 A CB 1.303 20.320 19.000 0.027 0.000 1.239 237 A HN 0.528 nan 8.150 nan 0.000 0.435 238 P HA -0.128 nan 4.420 nan 0.000 0.221 238 P C 1.179 178.479 177.300 -0.000 0.000 1.145 238 P CA 1.849 64.942 63.100 -0.012 0.000 0.795 238 P CB 0.147 31.841 31.700 -0.010 0.000 0.775 239 G N -0.530 108.275 108.800 0.009 0.000 2.985 239 G HA2 0.138 4.099 3.960 0.001 0.000 0.209 239 G HA3 0.138 4.099 3.960 0.001 0.000 0.209 239 G C 0.590 175.497 174.900 0.012 0.000 1.165 239 G CA -0.165 44.943 45.100 0.013 0.000 0.776 239 G HN 0.417 nan 8.290 nan 0.000 0.541 240 R N -2.466 118.040 120.500 0.009 0.000 2.762 240 R HA 0.617 4.958 4.340 0.001 0.000 0.271 240 R C 0.208 176.504 176.300 -0.006 0.000 1.038 240 R CA -0.382 55.719 56.100 0.001 0.000 0.906 240 R CB -0.086 30.215 30.300 0.001 0.000 1.259 240 R HN 0.029 nan 8.270 nan 0.000 0.457 241 G N -0.102 108.684 108.800 -0.024 0.000 2.667 241 G HA2 0.284 4.245 3.960 0.001 0.000 0.250 241 G HA3 0.284 4.245 3.960 0.001 0.000 0.250 241 G C -0.905 173.974 174.900 -0.035 0.000 1.212 241 G CA -0.386 44.699 45.100 -0.026 0.000 0.874 241 G HN 0.544 nan 8.290 nan 0.000 0.561 242 D N -0.750 119.648 120.400 -0.004 0.000 2.294 242 D HA 0.330 4.971 4.640 0.001 0.000 0.250 242 D C -0.389 175.921 176.300 0.017 0.000 1.058 242 D CA 0.003 54.032 54.000 0.048 0.000 0.950 242 D CB 1.168 42.012 40.800 0.074 0.000 1.158 242 D HN 0.095 nan 8.370 nan 0.000 0.453 243 F N 1.445 121.422 119.950 0.045 0.000 2.420 243 F HA 0.304 4.832 4.527 0.001 0.000 0.352 243 F C 0.993 176.819 175.800 0.042 0.000 1.108 243 F CA 0.020 58.032 58.000 0.021 0.000 1.162 243 F CB 0.640 39.645 39.000 0.007 0.000 1.118 243 F HN -0.196 nan 8.300 nan 0.000 0.510 244 R N 4.120 124.742 120.500 0.203 0.000 2.698 244 R HA 0.514 4.855 4.340 0.001 0.000 0.275 244 R C -1.281 175.166 176.300 0.245 0.000 1.001 244 R CA -0.873 55.367 56.100 0.234 0.000 0.896 244 R CB 2.264 32.749 30.300 0.309 0.000 1.218 244 R HN 0.615 nan 8.270 nan 0.000 0.462 245 I N 1.846 122.548 120.570 0.220 0.000 2.330 245 I HA 0.175 4.346 4.170 0.001 0.000 0.289 245 I C 0.513 176.847 176.117 0.363 0.000 1.001 245 I CA -0.442 60.977 61.300 0.199 0.000 1.193 245 I CB 1.194 39.252 38.000 0.097 0.000 1.345 245 I HN 0.514 nan 8.210 nan 0.000 0.461 246 W N 3.451 124.790 121.300 0.065 0.000 2.402 246 W HA -0.060 4.601 4.660 0.002 0.000 0.286 246 W C 0.930 177.552 176.519 0.172 0.000 1.221 246 W CA 0.005 57.453 57.345 0.172 0.000 1.257 246 W CB -0.881 28.651 29.460 0.119 0.000 1.120 246 W HN 0.409 nan 8.180 nan 0.000 0.551 247 N N 0.064 118.921 118.700 0.262 0.000 2.479 247 N HA -0.000 4.741 4.740 0.001 0.000 0.257 247 N C 1.316 176.890 175.510 0.106 0.000 1.232 247 N CA 0.877 54.004 53.050 0.128 0.000 0.920 247 N CB 0.677 39.178 38.487 0.024 0.000 1.105 247 N HN -0.111 nan 8.380 nan 0.000 0.444 248 S N 0.543 116.297 115.700 0.089 0.000 2.428 248 S HA -0.034 4.437 4.470 0.001 0.000 0.230 248 S C 0.287 174.888 174.600 0.001 0.000 1.014 248 S CA 0.666 58.910 58.200 0.072 0.000 0.957 248 S CB 0.021 63.285 63.200 0.107 0.000 0.784 248 S HN 0.648 nan 8.310 nan 0.000 0.499 249 Q N -0.748 119.034 119.800 -0.031 0.000 2.416 249 Q HA 0.486 4.827 4.340 0.001 0.000 0.281 249 Q C 0.107 176.022 176.000 -0.141 0.000 1.067 249 Q CA -0.555 55.187 55.803 -0.102 0.000 0.809 249 Q CB 1.899 30.597 28.738 -0.067 0.000 1.418 249 Q HN 0.089 nan 8.270 nan 0.000 0.411 250 L N 0.101 121.220 121.223 -0.174 0.000 2.131 250 L HA 0.003 4.344 4.340 0.001 0.000 0.210 250 L C 0.415 177.148 176.870 -0.228 0.000 1.092 250 L CA 0.879 55.624 54.840 -0.159 0.000 0.759 250 L CB 0.054 42.023 42.059 -0.150 0.000 0.903 250 L HN 0.266 nan 8.230 nan 0.000 0.435 251 V N 0.565 120.249 119.914 -0.384 0.000 2.444 251 V HA 0.516 4.636 4.120 0.001 0.000 0.294 251 V C -0.180 175.359 176.094 -0.925 0.000 1.022 251 V CA -0.716 61.182 62.300 -0.670 0.000 0.850 251 V CB 1.748 33.042 31.823 -0.880 0.000 0.992 251 V HN 0.174 nan 8.190 nan 0.000 0.426 252 R N 2.486 122.576 120.500 -0.683 0.000 2.734 252 R HA 0.543 4.884 4.340 0.001 0.000 0.271 252 R C -1.945 174.125 176.300 -0.384 0.000 1.021 252 R CA -0.842 54.983 56.100 -0.458 0.000 0.893 252 R CB 2.445 32.644 30.300 -0.169 0.000 1.244 252 R HN 0.570 nan 8.270 nan 0.000 0.464 253 Y N 0.026 120.319 120.300 -0.012 0.000 2.420 253 Y HA 0.525 5.076 4.550 0.001 0.000 0.334 253 Y C 0.799 176.670 175.900 -0.048 0.000 1.094 253 Y CA -0.703 57.401 58.100 0.008 0.000 1.126 253 Y CB 1.509 40.025 38.460 0.093 0.000 1.217 253 Y HN 0.732 nan 8.280 nan 0.000 0.462 254 A N 1.225 124.091 122.820 0.076 0.000 2.406 254 A HA 0.564 4.885 4.320 0.001 0.000 0.243 254 A C 0.525 177.876 177.584 -0.387 0.000 1.082 254 A CA 0.341 52.252 52.037 -0.212 0.000 0.786 254 A CB -0.307 18.508 19.000 -0.309 0.000 1.029 254 A HN 0.991 nan 8.150 nan 0.000 0.495 255 G N 0.362 108.868 108.800 -0.489 0.000 2.954 255 G HA2 0.528 4.489 3.960 0.001 0.000 0.290 255 G HA3 0.528 4.489 3.960 0.001 0.000 0.290 255 G C -1.204 173.500 174.900 -0.328 0.000 1.574 255 G CA -0.275 44.608 45.100 -0.361 0.000 1.088 255 G HN 0.485 nan 8.290 nan 0.000 0.557 256 Y N 1.715 122.032 120.300 0.028 0.000 2.341 256 Y HA 0.406 4.957 4.550 0.001 0.000 0.340 256 Y C 1.182 177.084 175.900 0.004 0.000 0.997 256 Y CA -1.150 56.966 58.100 0.027 0.000 1.149 256 Y CB 1.019 39.491 38.460 0.019 0.000 1.171 256 Y HN 0.266 nan 8.280 nan 0.000 0.494 257 R N 3.578 124.164 120.500 0.142 0.000 2.446 257 R HA 0.022 4.363 4.340 0.001 0.000 0.325 257 R C -0.558 175.788 176.300 0.077 0.000 0.997 257 R CA 0.120 56.268 56.100 0.079 0.000 1.010 257 R CB 0.106 30.442 30.300 0.059 0.000 0.946 257 R HN 0.743 nan 8.270 nan 0.000 0.422 258 Q N 3.255 123.089 119.800 0.057 0.000 2.421 258 Q HA 0.009 4.350 4.340 0.001 0.000 0.242 258 Q C 0.777 176.790 176.000 0.021 0.000 1.024 258 Q CA -0.262 55.564 55.803 0.038 0.000 0.891 258 Q CB 1.310 30.069 28.738 0.035 0.000 1.222 258 Q HN 0.581 nan 8.270 nan 0.000 0.483 259 Q N 1.338 121.147 119.800 0.015 0.000 2.601 259 Q HA -0.394 3.947 4.340 0.001 0.000 0.280 259 Q C 0.186 176.192 176.000 0.009 0.000 2.159 259 Q CA 2.491 58.299 55.803 0.009 0.000 0.923 259 Q CB -1.330 27.409 28.738 0.002 0.000 0.852 259 Q HN 0.796 nan 8.270 nan 0.000 0.674 260 D N 1.287 121.692 120.400 0.008 0.000 2.636 260 D HA 0.093 4.734 4.640 0.001 0.000 0.256 260 D C 1.238 177.543 176.300 0.010 0.000 1.280 260 D CA 0.805 54.809 54.000 0.007 0.000 0.910 260 D CB -0.293 40.510 40.800 0.005 0.000 1.045 260 D HN 0.818 nan 8.370 nan 0.000 0.472 261 G N 0.806 109.614 108.800 0.012 0.000 2.270 261 G HA2 -0.404 3.557 3.960 0.001 0.000 0.268 261 G HA3 -0.404 3.557 3.960 0.001 0.000 0.268 261 G C 0.638 175.547 174.900 0.014 0.000 0.982 261 G CA 0.911 46.020 45.100 0.014 0.000 0.628 261 G HN 0.766 nan 8.290 nan 0.000 0.544 262 S N -1.167 114.541 115.700 0.013 0.000 2.625 262 S HA 0.717 5.188 4.470 0.001 0.000 0.262 262 S C -0.011 174.594 174.600 0.009 0.000 1.223 262 S CA 0.156 58.361 58.200 0.009 0.000 0.993 262 S CB 2.119 65.323 63.200 0.007 0.000 1.051 262 S HN 1.177 nan 8.310 nan 0.000 0.562 263 V N 1.093 121.003 119.914 -0.006 0.000 2.733 263 V HA 0.521 4.641 4.120 0.001 0.000 0.306 263 V C -0.531 175.540 176.094 -0.038 0.000 1.084 263 V CA -0.786 61.505 62.300 -0.016 0.000 0.905 263 V CB 1.859 33.656 31.823 -0.044 0.000 1.010 263 V HN 0.969 nan 8.190 nan 0.000 0.424 264 R N 3.290 123.797 120.500 0.011 0.000 2.221 264 R HA 0.734 5.074 4.340 0.001 0.000 0.327 264 R C 0.475 176.733 176.300 -0.069 0.000 1.033 264 R CA 1.188 57.301 56.100 0.021 0.000 0.887 264 R CB 0.664 31.056 30.300 0.153 0.000 1.057 264 R HN 1.398 nan 8.270 nan 0.000 0.455 265 G N 2.996 111.669 108.800 -0.213 0.000 2.445 265 G HA2 -0.215 3.746 3.960 0.001 0.000 0.212 265 G HA3 -0.215 3.746 3.960 0.001 0.000 0.212 265 G C -1.414 173.068 174.900 -0.698 0.000 1.217 265 G CA -0.138 44.746 45.100 -0.360 0.000 1.002 265 G HN 0.666 nan 8.290 nan 0.000 0.574 266 D N 1.551 121.681 120.400 -0.450 0.000 2.347 266 D HA 0.553 5.194 4.640 0.001 0.000 0.235 266 D C -1.047 175.148 176.300 -0.175 0.000 1.149 266 D CA -1.968 51.820 54.000 -0.353 0.000 0.850 266 D CB 1.463 42.383 40.800 0.201 0.000 1.061 266 D HN -0.013 nan 8.370 nan 0.000 0.487 267 P HA -0.069 nan 4.420 nan 0.000 0.221 267 P C 0.740 178.045 177.300 0.009 0.000 1.145 267 P CA 0.818 63.876 63.100 -0.069 0.000 0.795 267 P CB 0.291 31.961 31.700 -0.051 0.000 0.775 268 A N -0.839 122.006 122.820 0.042 0.000 2.206 268 A HA -0.049 4.272 4.320 0.001 0.000 0.211 268 A C 1.479 179.116 177.584 0.088 0.000 1.158 268 A CA 1.054 53.148 52.037 0.096 0.000 0.761 268 A CB -0.691 18.388 19.000 0.133 0.000 0.801 268 A HN 0.129 nan 8.150 nan 0.000 0.473 269 N N -0.705 118.025 118.700 0.049 0.000 2.235 269 N HA 0.128 4.869 4.740 0.001 0.000 0.231 269 N C 1.065 176.564 175.510 -0.018 0.000 1.177 269 N CA 0.120 53.185 53.050 0.025 0.000 0.874 269 N CB 0.690 39.190 38.487 0.021 0.000 1.097 269 N HN 0.148 nan 8.380 nan 0.000 0.518 270 V N 1.105 121.013 119.914 -0.011 0.000 2.287 270 V HA -0.249 3.872 4.120 0.001 0.000 0.248 270 V C 2.416 178.505 176.094 -0.008 0.000 1.053 270 V CA 1.865 64.156 62.300 -0.015 0.000 1.027 270 V CB -0.228 31.599 31.823 0.005 0.000 0.646 270 V HN 0.372 nan 8.190 nan 0.000 0.447 271 E N -0.454 119.746 120.200 -0.001 0.000 2.031 271 E HA -0.259 4.092 4.350 0.001 0.000 0.193 271 E C 2.121 178.630 176.600 -0.152 0.000 0.994 271 E CA 1.739 58.112 56.400 -0.044 0.000 0.800 271 E CB -0.180 29.539 29.700 0.031 0.000 0.752 271 E HN 0.497 nan 8.360 nan 0.000 0.447 272 I N 0.626 121.112 120.570 -0.141 0.000 2.493 272 I HA -0.201 3.970 4.170 0.001 0.000 0.254 272 I C 2.002 178.052 176.117 -0.112 0.000 1.160 272 I CA 1.382 62.571 61.300 -0.185 0.000 1.445 272 I CB -0.196 37.744 38.000 -0.099 0.000 1.086 272 I HN 0.098 nan 8.210 nan 0.000 0.433 273 T N 0.123 114.643 114.554 -0.057 0.000 2.737 273 T HA -0.160 4.191 4.350 0.001 0.000 0.265 273 T C 1.745 176.524 174.700 0.132 0.000 1.038 273 T CA 1.700 63.820 62.100 0.032 0.000 1.144 273 T CB -0.237 68.641 68.868 0.017 0.000 0.866 273 T HN 0.446 nan 8.240 nan 0.000 0.434 274 E N 0.773 121.014 120.200 0.069 0.000 2.051 274 E HA -0.060 4.291 4.350 0.001 0.000 0.192 274 E C 2.230 178.871 176.600 0.068 0.000 0.991 274 E CA 0.849 57.296 56.400 0.078 0.000 0.799 274 E CB -0.312 29.406 29.700 0.030 0.000 0.748 274 E HN 0.377 nan 8.360 nan 0.000 0.449 275 L N 0.392 121.610 121.223 -0.009 0.000 2.042 275 L HA -0.251 4.090 4.340 0.001 0.000 0.210 275 L C 2.560 179.512 176.870 0.137 0.000 1.076 275 L CA 0.873 55.734 54.840 0.034 0.000 0.749 275 L CB -0.342 41.641 42.059 -0.127 0.000 0.893 275 L HN 0.340 nan 8.230 nan 0.000 0.432 276 C N -0.302 119.035 119.300 0.062 0.000 2.446 276 C HA -0.130 4.331 4.460 0.001 0.000 0.277 276 C C 2.676 177.831 174.990 0.276 0.000 1.275 276 C CA 0.339 59.401 59.018 0.073 0.000 1.727 276 C CB -0.656 27.012 27.740 -0.120 0.000 2.010 276 C HN 0.435 nan 8.230 nan 0.000 0.486 277 I N 0.406 121.173 120.570 0.329 0.000 2.315 277 I HA -0.235 3.935 4.170 0.001 0.000 0.248 277 I C 2.706 178.905 176.117 0.137 0.000 1.117 277 I CA 1.395 62.857 61.300 0.270 0.000 1.404 277 I CB -0.573 37.553 38.000 0.210 0.000 1.071 277 I HN 0.393 nan 8.210 nan 0.000 0.419 278 Q N 0.258 120.128 119.800 0.116 0.000 2.170 278 Q HA -0.215 4.125 4.340 0.001 0.000 0.203 278 Q C 1.058 176.989 176.000 -0.114 0.000 0.976 278 Q CA 1.501 57.309 55.803 0.007 0.000 0.858 278 Q CB 0.035 28.791 28.738 0.030 0.000 0.907 278 Q HN 0.563 nan 8.270 nan 0.000 0.433 279 H N -1.819 117.241 119.070 -0.015 0.000 2.568 279 H HA 0.337 4.894 4.556 0.001 0.000 0.302 279 H C 0.429 175.735 175.328 -0.036 0.000 1.065 279 H CA 0.490 56.502 56.048 -0.059 0.000 1.140 279 H CB 0.580 30.262 29.762 -0.133 0.000 1.474 279 H HN 0.357 nan 8.280 nan 0.000 0.545 280 G N 0.081 108.920 108.800 0.066 0.000 2.137 280 G HA2 -0.274 3.687 3.960 0.001 0.000 0.237 280 G HA3 -0.274 3.687 3.960 0.001 0.000 0.237 280 G C -0.160 174.815 174.900 0.126 0.000 1.002 280 G CA -0.002 45.129 45.100 0.053 0.000 0.702 280 G HN 0.438 nan 8.290 nan 0.000 0.515 281 W N 1.616 122.901 121.300 -0.026 0.000 2.272 281 W HA 0.661 5.322 4.660 0.001 0.000 0.318 281 W C 0.240 176.754 176.519 -0.009 0.000 1.255 281 W CA -0.317 57.016 57.345 -0.020 0.000 1.200 281 W CB 0.988 30.446 29.460 -0.003 0.000 1.170 281 W HN 0.056 nan 8.180 nan 0.000 0.549 282 T N 9.644 123.899 114.554 -0.498 0.000 2.782 282 T HA 0.192 4.543 4.350 0.001 0.000 0.298 282 T C -2.075 171.855 174.700 -1.284 0.000 0.944 282 T CA -0.877 60.861 62.100 -0.604 0.000 1.001 282 T CB 0.298 68.977 68.868 -0.314 0.000 0.932 282 T HN 0.233 nan 8.240 nan 0.000 0.524 283 P HA 0.325 nan 4.420 nan 0.000 0.274 283 P C 0.344 177.179 177.300 -0.776 0.000 1.237 283 P CA -0.268 61.934 63.100 -1.497 0.000 0.793 283 P CB 1.034 32.249 31.700 -0.809 0.000 0.977 284 G N 0.972 109.472 108.800 -0.499 0.000 2.736 284 G HA2 0.366 4.327 3.960 0.001 0.000 0.229 284 G HA3 0.366 4.327 3.960 0.001 0.000 0.229 284 G C 0.117 174.736 174.900 -0.469 0.000 1.380 284 G CA -0.521 44.427 45.100 -0.254 0.000 1.040 284 G HN 0.690 nan 8.290 nan 0.000 0.568 285 N N -1.049 117.519 118.700 -0.220 0.000 2.361 285 N HA 0.206 4.947 4.740 0.001 0.000 0.253 285 N C 0.263 175.796 175.510 0.039 0.000 1.413 285 N CA 0.136 53.040 53.050 -0.243 0.000 0.821 285 N CB 0.263 38.605 38.487 -0.241 0.000 1.380 285 N HN 0.703 nan 8.380 nan 0.000 0.493 286 G N 0.204 109.107 108.800 0.171 0.000 2.531 286 G HA2 0.395 4.356 3.960 0.001 0.000 0.313 286 G HA3 0.395 4.356 3.960 0.001 0.000 0.313 286 G C 0.467 175.462 174.900 0.157 0.000 1.238 286 G CA -0.712 44.483 45.100 0.159 0.000 0.994 286 G HN 0.121 nan 8.290 nan 0.000 0.493 287 R N -1.257 119.257 120.500 0.024 0.000 2.210 287 R HA 0.118 4.459 4.340 0.001 0.000 0.203 287 R C -0.002 175.907 176.300 -0.652 0.000 1.010 287 R CA 0.656 56.599 56.100 -0.262 0.000 1.008 287 R CB 0.131 30.215 30.300 -0.361 0.000 0.923 287 R HN 0.395 nan 8.270 nan 0.000 0.469 288 F N 0.908 120.811 119.950 -0.078 0.000 2.831 288 F HA 0.254 4.782 4.527 0.001 0.000 0.355 288 F C -0.597 175.182 175.800 -0.035 0.000 1.341 288 F CA -1.070 56.632 58.000 -0.497 0.000 1.201 288 F CB 0.518 39.061 39.000 -0.760 0.000 1.058 288 F HN -0.298 nan 8.300 nan 0.000 0.514 289 D N 1.508 122.079 120.400 0.286 0.000 2.325 289 D HA 0.188 4.829 4.640 0.001 0.000 0.251 289 D C 0.205 176.766 176.300 0.434 0.000 1.196 289 D CA 0.171 54.406 54.000 0.391 0.000 0.866 289 D CB 1.947 43.030 40.800 0.471 0.000 1.101 289 D HN -0.075 nan 8.370 nan 0.000 0.476 290 V N 3.736 123.868 119.914 0.363 0.000 2.585 290 V HA 0.018 4.139 4.120 0.001 0.000 0.296 290 V C 0.971 177.081 176.094 0.027 0.000 1.035 290 V CA -0.270 62.123 62.300 0.155 0.000 1.084 290 V CB 0.360 32.228 31.823 0.075 0.000 0.953 290 V HN 0.337 nan 8.190 nan 0.000 0.483 291 L N 7.687 128.824 121.223 -0.144 0.000 2.418 291 L HA 0.418 4.759 4.340 0.001 0.000 0.265 291 L C -1.763 174.878 176.870 -0.383 0.000 1.143 291 L CA -1.491 53.121 54.840 -0.380 0.000 0.809 291 L CB 1.330 43.180 42.059 -0.349 0.000 1.124 291 L HN 0.496 nan 8.230 nan 0.000 0.456 292 P HA 0.261 nan 4.420 nan 0.000 0.278 292 P C -1.103 176.027 177.300 -0.284 0.000 1.258 292 P CA -0.536 62.324 63.100 -0.400 0.000 0.811 292 P CB 1.115 32.466 31.700 -0.582 0.000 1.063 293 L N 1.120 122.260 121.223 -0.138 0.000 2.357 293 L HA 0.400 4.741 4.340 0.001 0.000 0.273 293 L C 0.509 177.331 176.870 -0.080 0.000 1.080 293 L CA -0.753 54.049 54.840 -0.062 0.000 0.803 293 L CB 0.488 42.580 42.059 0.056 0.000 1.174 293 L HN 0.214 nan 8.230 nan 0.000 0.443 294 L N 4.629 125.797 121.223 -0.090 0.000 2.324 294 L HA 0.460 4.801 4.340 0.001 0.000 0.274 294 L C -0.670 176.095 176.870 -0.174 0.000 1.012 294 L CA -0.218 54.481 54.840 -0.234 0.000 0.859 294 L CB 1.008 42.862 42.059 -0.342 0.000 1.224 294 L HN 0.441 nan 8.230 nan 0.000 0.429 295 L N 3.663 124.839 121.223 -0.079 0.000 2.309 295 L HA 0.525 4.866 4.340 0.001 0.000 0.282 295 L C -0.251 176.541 176.870 -0.130 0.000 1.036 295 L CA -0.417 54.401 54.840 -0.037 0.000 0.806 295 L CB 1.810 43.894 42.059 0.042 0.000 1.220 295 L HN 0.561 nan 8.230 nan 0.000 0.429 296 Q N 2.451 122.190 119.800 -0.102 0.000 2.290 296 Q HA 0.643 4.984 4.340 0.001 0.000 0.269 296 Q C -1.241 174.688 176.000 -0.118 0.000 1.016 296 Q CA -0.578 55.153 55.803 -0.119 0.000 0.754 296 Q CB 2.194 30.890 28.738 -0.070 0.000 1.247 296 Q HN 0.788 nan 8.270 nan 0.000 0.451 297 A N 4.932 127.639 122.820 -0.187 0.000 2.286 297 A HA 0.627 4.948 4.320 0.001 0.000 0.286 297 A C -2.395 174.917 177.584 -0.454 0.000 1.097 297 A CA -1.517 50.256 52.037 -0.441 0.000 0.821 297 A CB 0.066 18.927 19.000 -0.231 0.000 1.076 297 A HN 0.635 nan 8.150 nan 0.000 0.490 298 P HA -0.019 nan 4.420 nan 0.000 0.261 298 P C -0.492 176.701 177.300 -0.178 0.000 1.165 298 P CA 0.880 63.756 63.100 -0.374 0.000 0.759 298 P CB 0.139 31.617 31.700 -0.371 0.000 0.772 299 D N -0.196 120.148 120.400 -0.094 0.000 2.931 299 D HA -0.197 4.444 4.640 0.001 0.000 0.228 299 D C 0.070 176.350 176.300 -0.033 0.000 1.180 299 D CA 1.350 55.327 54.000 -0.039 0.000 0.784 299 D CB -0.475 40.307 40.800 -0.031 0.000 1.093 299 D HN 0.479 nan 8.370 nan 0.000 0.421 300 E N -0.697 119.472 120.200 -0.051 0.000 2.299 300 E HA 0.680 5.030 4.350 0.001 0.000 0.265 300 E C 0.043 176.619 176.600 -0.040 0.000 0.911 300 E CA -0.774 55.599 56.400 -0.046 0.000 0.789 300 E CB 1.719 31.378 29.700 -0.068 0.000 1.246 300 E HN 0.114 nan 8.360 nan 0.000 0.427 301 A N 2.696 125.492 122.820 -0.040 0.000 2.407 301 A HA 0.398 4.719 4.320 0.001 0.000 0.248 301 A C -2.018 175.448 177.584 -0.197 0.000 1.082 301 A CA -0.978 51.024 52.037 -0.058 0.000 0.785 301 A CB -0.421 18.578 19.000 -0.002 0.000 1.020 301 A HN 0.292 nan 8.150 nan 0.000 0.489 302 P HA 0.174 nan 4.420 nan 0.000 0.269 302 P C -0.701 176.311 177.300 -0.481 0.000 1.215 302 P CA 0.144 62.846 63.100 -0.664 0.000 0.780 302 P CB 0.694 31.498 31.700 -1.494 0.000 0.898 303 E N 0.750 120.724 120.200 -0.377 0.000 2.195 303 E HA 0.407 4.758 4.350 0.001 0.000 0.271 303 E C -0.764 175.453 176.600 -0.639 0.000 0.923 303 E CA -1.093 55.040 56.400 -0.445 0.000 0.790 303 E CB 1.484 30.946 29.700 -0.397 0.000 1.155 303 E HN 0.275 nan 8.360 nan 0.000 0.402 304 L N 3.196 123.996 121.223 -0.705 0.000 2.290 304 L HA 0.354 4.695 4.340 0.001 0.000 0.284 304 L C -1.484 174.820 176.870 -0.944 0.000 1.078 304 L CA 0.274 54.749 54.840 -0.609 0.000 0.815 304 L CB 0.010 41.871 42.059 -0.329 0.000 1.162 304 L HN 0.407 nan 8.230 nan 0.000 0.435 305 F N 4.164 123.874 119.950 -0.399 0.000 2.536 305 F HA 0.428 4.955 4.527 0.001 0.000 0.322 305 F C -0.245 175.285 175.800 -0.449 0.000 1.144 305 F CA -0.882 56.727 58.000 -0.652 0.000 0.924 305 F CB 1.649 39.904 39.000 -1.242 0.000 1.181 305 F HN -0.014 nan 8.300 nan 0.000 0.438 306 V N 4.889 124.725 119.914 -0.130 0.000 2.461 306 V HA 0.254 4.375 4.120 0.001 0.000 0.275 306 V C 0.264 176.471 176.094 0.188 0.000 1.047 306 V CA -0.662 61.648 62.300 0.017 0.000 0.955 306 V CB 1.301 33.169 31.823 0.074 0.000 0.988 306 V HN 0.549 nan 8.190 nan 0.000 0.471 307 L N 7.505 128.845 121.223 0.196 0.000 2.410 307 L HA 0.274 4.615 4.340 0.001 0.000 0.273 307 L C -2.056 174.916 176.870 0.170 0.000 1.152 307 L CA -1.463 53.526 54.840 0.249 0.000 0.855 307 L CB 0.678 42.816 42.059 0.132 0.000 1.129 307 L HN 0.452 nan 8.230 nan 0.000 0.463 308 P HA 0.053 nan 4.420 nan 0.000 0.262 308 P C -2.002 175.342 177.300 0.072 0.000 1.199 308 P CA -0.869 62.293 63.100 0.103 0.000 0.763 308 P CB 0.409 32.149 31.700 0.068 0.000 0.790 309 P HA -0.260 nan 4.420 nan 0.000 0.217 309 P C 1.430 178.758 177.300 0.048 0.000 1.151 309 P CA 1.401 64.540 63.100 0.066 0.000 0.849 309 P CB -0.163 31.579 31.700 0.071 0.000 0.787 310 E N -0.044 120.179 120.200 0.039 0.000 2.265 310 E HA -0.153 4.198 4.350 0.001 0.000 0.196 310 E C 1.774 178.385 176.600 0.019 0.000 0.996 310 E CA 1.095 57.510 56.400 0.025 0.000 0.832 310 E CB -1.103 28.608 29.700 0.019 0.000 0.756 310 E HN 0.312 nan 8.360 nan 0.000 0.491 311 L N 1.058 122.293 121.223 0.019 0.000 2.341 311 L HA 0.064 4.405 4.340 0.001 0.000 0.214 311 L C 0.819 177.700 176.870 0.019 0.000 1.115 311 L CA 0.198 55.045 54.840 0.011 0.000 0.820 311 L CB 0.316 42.372 42.059 -0.005 0.000 0.944 311 L HN -0.076 nan 8.230 nan 0.000 0.452 312 V N 2.319 122.249 119.914 0.025 0.000 2.322 312 V HA 0.104 4.225 4.120 0.001 0.000 0.258 312 V C 0.061 176.182 176.094 0.045 0.000 1.074 312 V CA -0.450 61.866 62.300 0.027 0.000 0.909 312 V CB 1.045 32.879 31.823 0.019 0.000 1.090 312 V HN 0.051 nan 8.190 nan 0.000 0.486 313 L N 5.962 127.215 121.223 0.050 0.000 2.315 313 L HA 0.435 4.776 4.340 0.001 0.000 0.283 313 L C 0.180 177.085 176.870 0.059 0.000 1.089 313 L CA 0.643 55.505 54.840 0.038 0.000 0.833 313 L CB 0.312 42.386 42.059 0.024 0.000 1.170 313 L HN 0.637 nan 8.230 nan 0.000 0.442 314 E N 3.270 123.492 120.200 0.035 0.000 2.244 314 E HA 0.585 4.936 4.350 0.001 0.000 0.266 314 E C -1.365 175.199 176.600 -0.060 0.000 0.914 314 E CA -0.995 55.434 56.400 0.049 0.000 0.794 314 E CB 2.441 32.206 29.700 0.108 0.000 1.210 314 E HN 0.373 nan 8.360 nan 0.000 0.414 315 V N 3.481 123.333 119.914 -0.103 0.000 2.378 315 V HA 0.310 4.430 4.120 0.001 0.000 0.288 315 V C -2.238 173.812 176.094 -0.073 0.000 1.016 315 V CA -1.912 60.261 62.300 -0.210 0.000 0.840 315 V CB 1.187 32.635 31.823 -0.624 0.000 0.994 315 V HN 0.559 nan 8.190 nan 0.000 0.431 316 P HA 0.259 nan 4.420 nan 0.000 0.276 316 P C -0.717 176.592 177.300 0.015 0.000 1.235 316 P CA -0.132 62.947 63.100 -0.034 0.000 0.772 316 P CB 1.113 32.797 31.700 -0.027 0.000 0.871 317 L N 3.855 125.117 121.223 0.066 0.000 2.305 317 L HA 0.382 4.723 4.340 0.001 0.000 0.281 317 L C 1.136 178.138 176.870 0.221 0.000 1.085 317 L CA -0.091 54.838 54.840 0.149 0.000 0.813 317 L CB 0.407 42.614 42.059 0.248 0.000 1.157 317 L HN 0.518 nan 8.230 nan 0.000 0.436 318 E N 1.905 122.179 120.200 0.122 0.000 2.408 318 E HA 0.401 4.752 4.350 0.001 0.000 0.275 318 E C -1.331 175.220 176.600 -0.081 0.000 0.935 318 E CA -0.948 55.533 56.400 0.134 0.000 0.775 318 E CB 2.185 31.969 29.700 0.139 0.000 1.277 318 E HN 0.465 nan 8.360 nan 0.000 0.455 319 H N 1.720 120.616 119.070 -0.290 0.000 2.463 319 H HA 0.243 4.800 4.556 0.001 0.000 0.332 319 H C -1.728 173.307 175.328 -0.488 0.000 1.127 319 H CA -2.286 53.464 56.048 -0.495 0.000 1.238 319 H CB 1.983 31.385 29.762 -0.599 0.000 1.478 319 H HN 0.448 nan 8.280 nan 0.000 0.499 320 P HA -0.121 nan 4.420 nan 0.000 0.218 320 P C 0.922 178.041 177.300 -0.301 0.000 1.149 320 P CA 1.748 64.321 63.100 -0.879 0.000 0.817 320 P CB 0.424 31.600 31.700 -0.873 0.000 0.785 321 T N -4.673 109.887 114.554 0.010 0.000 2.954 321 T HA 0.216 4.567 4.350 0.001 0.000 0.252 321 T C 0.844 175.511 174.700 -0.055 0.000 0.983 321 T CA -0.210 61.898 62.100 0.014 0.000 0.941 321 T CB -0.566 68.317 68.868 0.024 0.000 1.141 321 T HN -0.062 nan 8.240 nan 0.000 0.500 322 L N 3.601 124.735 121.223 -0.148 0.000 2.358 322 L HA 0.380 4.721 4.340 0.001 0.000 0.274 322 L C 1.714 178.228 176.870 -0.594 0.000 1.136 322 L CA -0.561 53.891 54.840 -0.646 0.000 0.970 322 L CB 0.705 41.985 42.059 -1.299 0.000 1.314 322 L HN 0.335 nan 8.230 nan 0.000 0.427 323 E N 3.113 123.124 120.200 -0.315 0.000 2.187 323 E HA -0.263 4.088 4.350 0.001 0.000 0.199 323 E C 1.671 178.232 176.600 -0.065 0.000 1.004 323 E CA 1.831 58.157 56.400 -0.123 0.000 0.813 323 E CB -0.217 29.480 29.700 -0.006 0.000 0.736 323 E HN 0.741 nan 8.360 nan 0.000 0.468 324 W N -0.459 120.893 121.300 0.086 0.000 2.699 324 W HA 0.070 4.730 4.660 0.001 0.000 0.249 324 W C 1.180 177.751 176.519 0.086 0.000 1.280 324 W CA -0.143 57.240 57.345 0.065 0.000 1.345 324 W CB -0.817 28.657 29.460 0.023 0.000 1.128 324 W HN -0.010 nan 8.180 nan 0.000 0.642 325 F N 3.094 122.859 119.950 -0.308 0.000 2.095 325 F HA -0.116 4.412 4.527 0.001 0.000 0.298 325 F C 2.712 178.555 175.800 0.070 0.000 1.104 325 F CA 2.886 60.810 58.000 -0.126 0.000 1.232 325 F CB -0.745 38.070 39.000 -0.309 0.000 0.987 325 F HN -0.077 nan 8.300 nan 0.000 0.475 326 A N 0.218 123.215 122.820 0.295 0.000 1.986 326 A HA -0.167 4.154 4.320 0.001 0.000 0.220 326 A C 2.348 180.017 177.584 0.142 0.000 1.171 326 A CA 1.764 53.932 52.037 0.218 0.000 0.640 326 A CB -1.557 17.532 19.000 0.148 0.000 0.811 326 A HN 0.483 nan 8.150 nan 0.000 0.451 327 A N -0.405 122.502 122.820 0.144 0.000 2.070 327 A HA 0.005 4.326 4.320 0.001 0.000 0.220 327 A C 1.947 179.579 177.584 0.080 0.000 1.159 327 A CA 1.281 53.389 52.037 0.117 0.000 0.656 327 A CB -0.571 18.520 19.000 0.151 0.000 0.800 327 A HN 0.516 nan 8.150 nan 0.000 0.453 328 L N -1.214 120.034 121.223 0.041 0.000 2.456 328 L HA 0.019 4.360 4.340 0.001 0.000 0.224 328 L C 1.888 178.788 176.870 0.050 0.000 1.148 328 L CA 0.595 55.432 54.840 -0.005 0.000 0.825 328 L CB -0.593 41.359 42.059 -0.177 0.000 0.937 328 L HN 0.579 nan 8.230 nan 0.000 0.450 329 G N 0.097 108.931 108.800 0.057 0.000 2.168 329 G HA2 -0.274 3.687 3.960 0.001 0.000 0.257 329 G HA3 -0.274 3.687 3.960 0.001 0.000 0.257 329 G C 0.108 175.000 174.900 -0.013 0.000 0.997 329 G CA -0.119 45.015 45.100 0.057 0.000 0.708 329 G HN 0.112 nan 8.290 nan 0.000 0.520 330 L N 0.335 121.542 121.223 -0.026 0.000 2.452 330 L HA 0.718 5.059 4.340 0.001 0.000 0.267 330 L C 1.095 177.757 176.870 -0.348 0.000 1.188 330 L CA 0.146 54.876 54.840 -0.184 0.000 0.821 330 L CB 0.655 42.747 42.059 0.054 0.000 1.102 330 L HN 0.690 nan 8.230 nan 0.000 0.470 331 R N 1.496 121.574 120.500 -0.703 0.000 2.728 331 R HA 0.490 4.831 4.340 0.001 0.000 0.274 331 R C -2.014 174.225 176.300 -0.102 0.000 1.032 331 R CA -0.943 54.938 56.100 -0.365 0.000 0.866 331 R CB 1.370 31.420 30.300 -0.417 0.000 1.263 331 R HN 0.599 nan 8.270 nan 0.000 0.475 332 W N 2.222 123.508 121.300 -0.023 0.000 3.296 332 W HA 0.331 4.992 4.660 0.002 0.000 0.314 332 W C -1.031 175.622 176.519 0.224 0.000 1.238 332 W CA -0.987 56.460 57.345 0.171 0.000 1.193 332 W CB 1.886 31.360 29.460 0.023 0.000 1.383 332 W HN 0.701 nan 8.180 nan 0.000 0.545 333 Y N 1.251 121.506 120.300 -0.076 0.000 2.357 333 Y HA 0.468 5.019 4.550 0.001 0.000 0.340 333 Y C 0.806 176.953 175.900 0.412 0.000 1.260 333 Y CA 0.405 58.535 58.100 0.050 0.000 1.425 333 Y CB 0.093 38.444 38.460 -0.182 0.000 1.326 333 Y HN 0.338 nan 8.280 nan 0.000 0.580 334 A N 1.778 124.868 122.820 0.451 0.000 2.030 334 A HA 0.137 4.458 4.320 0.001 0.000 0.215 334 A C 0.373 178.265 177.584 0.514 0.000 1.164 334 A CA 0.173 52.503 52.037 0.488 0.000 0.697 334 A CB -0.196 18.922 19.000 0.197 0.000 0.827 334 A HN 0.650 nan 8.150 nan 0.000 0.457 335 L N 1.967 123.459 121.223 0.448 0.000 2.262 335 L HA 0.417 4.758 4.340 0.001 0.000 0.288 335 L C -2.543 174.465 176.870 0.230 0.000 1.035 335 L CA -2.121 52.884 54.840 0.276 0.000 0.820 335 L CB 1.632 43.799 42.059 0.179 0.000 1.204 335 L HN -0.030 nan 8.230 nan 0.000 0.424 336 P HA 0.296 nan 4.420 nan 0.000 0.273 336 P C -1.334 175.882 177.300 -0.140 0.000 1.531 336 P CA -0.324 62.651 63.100 -0.210 0.000 1.027 336 P CB 1.151 32.349 31.700 -0.837 0.000 1.387 337 A N 4.652 127.400 122.820 -0.120 0.000 2.399 337 A HA 0.402 4.722 4.320 0.001 0.000 0.327 337 A C 0.050 177.411 177.584 -0.372 0.000 1.367 337 A CA -0.661 51.230 52.037 -0.245 0.000 0.842 337 A CB 0.529 19.416 19.000 -0.188 0.000 1.142 337 A HN 0.294 nan 8.150 nan 0.000 0.495 338 V N 2.888 122.406 119.914 -0.660 0.000 2.529 338 V HA 0.188 4.309 4.120 0.001 0.000 0.292 338 V C 1.229 176.921 176.094 -0.671 0.000 1.028 338 V CA 1.226 63.114 62.300 -0.686 0.000 1.074 338 V CB 0.926 32.174 31.823 -0.959 0.000 0.958 338 V HN 1.049 nan 8.190 nan 0.000 0.481 339 S N 1.683 117.202 115.700 -0.302 0.000 2.780 339 S HA 0.053 4.524 4.470 0.001 0.000 0.248 339 S C 0.805 175.395 174.600 -0.017 0.000 1.036 339 S CA 0.045 58.156 58.200 -0.149 0.000 1.061 339 S CB -0.386 62.761 63.200 -0.088 0.000 1.037 339 S HN 0.909 nan 8.310 nan 0.000 0.584 340 N N 0.491 119.188 118.700 -0.005 0.000 2.203 340 N HA 0.275 5.016 4.740 0.001 0.000 0.207 340 N C 0.119 175.689 175.510 0.099 0.000 1.130 340 N CA -0.446 52.641 53.050 0.061 0.000 0.861 340 N CB 0.095 38.623 38.487 0.068 0.000 1.005 340 N HN 0.291 nan 8.380 nan 0.000 0.507 341 M N 1.486 121.158 119.600 0.119 0.000 2.409 341 M HA 0.318 4.798 4.480 0.001 0.000 0.329 341 M C -0.589 175.849 176.300 0.230 0.000 1.180 341 M CA -0.819 54.589 55.300 0.180 0.000 1.053 341 M CB 2.550 35.280 32.600 0.217 0.000 1.586 341 M HN 0.112 nan 8.290 nan 0.000 0.461 342 L N 3.275 124.609 121.223 0.185 0.000 2.289 342 L HA 0.523 4.863 4.340 0.001 0.000 0.285 342 L C -1.303 175.659 176.870 0.153 0.000 1.049 342 L CA -0.893 54.043 54.840 0.159 0.000 0.804 342 L CB 1.014 43.122 42.059 0.081 0.000 1.195 342 L HN 0.603 nan 8.230 nan 0.000 0.428 343 L N 5.295 126.601 121.223 0.138 0.000 2.272 343 L HA 0.461 4.802 4.340 0.001 0.000 0.289 343 L C -0.556 176.309 176.870 -0.008 0.000 1.032 343 L CA 0.217 55.010 54.840 -0.078 0.000 0.810 343 L CB 1.211 43.194 42.059 -0.126 0.000 1.205 343 L HN 0.647 nan 8.230 nan 0.000 0.422 344 E N 6.611 126.724 120.200 -0.144 0.000 2.145 344 E HA 0.404 4.755 4.350 0.001 0.000 0.270 344 E C -1.620 174.882 176.600 -0.162 0.000 0.906 344 E CA -0.434 55.906 56.400 -0.100 0.000 0.761 344 E CB 1.095 30.736 29.700 -0.099 0.000 1.116 344 E HN 0.734 nan 8.360 nan 0.000 0.408 345 I N 2.368 122.858 120.570 -0.134 0.000 2.499 345 I HA 0.291 4.462 4.170 0.001 0.000 0.288 345 I C 0.913 176.828 176.117 -0.337 0.000 1.048 345 I CA -0.753 60.337 61.300 -0.351 0.000 1.062 345 I CB 2.063 39.791 38.000 -0.454 0.000 1.238 345 I HN 0.780 nan 8.210 nan 0.000 0.426 346 G N 4.141 112.751 108.800 -0.317 0.000 2.361 346 G HA2 -0.136 3.825 3.960 0.001 0.000 0.294 346 G HA3 -0.136 3.825 3.960 0.001 0.000 0.294 346 G C 1.034 176.017 174.900 0.138 0.000 1.004 346 G CA 0.871 45.996 45.100 0.042 0.000 0.870 346 G HN 1.593 nan 8.290 nan 0.000 0.510 347 G N -2.054 106.761 108.800 0.025 0.000 2.241 347 G HA2 -0.234 3.727 3.960 0.001 0.000 0.244 347 G HA3 -0.234 3.727 3.960 0.001 0.000 0.244 347 G C 0.478 175.329 174.900 -0.082 0.000 0.998 347 G CA 0.419 45.532 45.100 0.021 0.000 0.621 347 G HN 1.277 nan 8.290 nan 0.000 0.519 348 L N 1.059 122.174 121.223 -0.180 0.000 2.350 348 L HA 0.581 4.921 4.340 0.001 0.000 0.275 348 L C 0.230 176.843 176.870 -0.428 0.000 1.099 348 L CA -0.480 54.121 54.840 -0.398 0.000 0.808 348 L CB 1.109 42.825 42.059 -0.572 0.000 1.149 348 L HN 0.219 nan 8.230 nan 0.000 0.442 349 E N 2.880 122.761 120.200 -0.531 0.000 2.158 349 E HA 0.412 4.762 4.350 0.001 0.000 0.271 349 E C -1.494 174.771 176.600 -0.558 0.000 0.911 349 E CA -0.435 55.738 56.400 -0.378 0.000 0.767 349 E CB 1.725 31.307 29.700 -0.198 0.000 1.120 349 E HN 0.272 nan 8.360 nan 0.000 0.405 350 F N 1.839 121.751 119.950 -0.062 0.000 2.311 350 F HA 0.109 4.637 4.527 0.001 0.000 0.371 350 F C 1.472 177.301 175.800 0.048 0.000 1.083 350 F CA -0.611 57.381 58.000 -0.014 0.000 1.113 350 F CB 1.268 40.243 39.000 -0.043 0.000 1.349 350 F HN 0.460 nan 8.300 nan 0.000 0.470 351 S N 1.409 117.205 115.700 0.161 0.000 2.469 351 S HA 0.148 4.618 4.470 0.001 0.000 0.238 351 S C 0.790 175.515 174.600 0.209 0.000 0.998 351 S CA 0.441 58.736 58.200 0.158 0.000 0.957 351 S CB -0.034 63.239 63.200 0.122 0.000 0.764 351 S HN 0.522 nan 8.310 nan 0.000 0.514 352 A N 0.356 123.343 122.820 0.278 0.000 2.410 352 A HA 0.824 5.145 4.320 0.001 0.000 0.289 352 A C -0.196 177.637 177.584 0.415 0.000 1.200 352 A CA -0.167 52.058 52.037 0.313 0.000 0.751 352 A CB 0.976 20.125 19.000 0.249 0.000 1.161 352 A HN 1.027 nan 8.150 nan 0.000 0.459 353 A N 4.120 127.133 122.820 0.321 0.000 3.399 353 A HA 0.627 4.948 4.320 0.001 0.000 0.262 353 A C -2.974 174.756 177.584 0.244 0.000 1.145 353 A CA -0.927 51.263 52.037 0.255 0.000 0.916 353 A CB 0.326 19.470 19.000 0.240 0.000 1.360 353 A HN 0.514 nan 8.150 nan 0.000 0.628 354 P HA 0.375 nan 4.420 nan 0.000 0.266 354 P C -0.734 176.552 177.300 -0.022 0.000 1.195 354 P CA 0.524 63.575 63.100 -0.082 0.000 0.768 354 P CB 0.234 31.837 31.700 -0.161 0.000 0.838 355 F N -0.387 119.493 119.950 -0.117 0.000 2.588 355 F HA 0.760 5.287 4.527 0.001 0.000 0.310 355 F C -0.649 175.072 175.800 -0.132 0.000 1.082 355 F CA -1.173 56.762 58.000 -0.107 0.000 0.929 355 F CB 1.658 40.477 39.000 -0.302 0.000 1.254 355 F HN 0.424 nan 8.300 nan 0.000 0.455 356 S N 0.740 116.546 115.700 0.176 0.000 2.579 356 S HA 0.986 5.457 4.470 0.001 0.000 0.272 356 S C -0.789 173.785 174.600 -0.044 0.000 1.141 356 S CA -0.131 58.106 58.200 0.062 0.000 0.843 356 S CB 1.588 64.901 63.200 0.188 0.000 1.122 356 S HN 1.619 nan 8.310 nan 0.000 0.468 357 G N -0.135 108.603 108.800 -0.102 0.000 3.255 357 G HA2 0.679 4.640 3.960 0.001 0.000 0.161 357 G HA3 0.679 4.640 3.960 0.001 0.000 0.161 357 G C -1.760 173.164 174.900 0.041 0.000 1.173 357 G CA -0.254 44.726 45.100 -0.201 0.000 1.106 357 G HN 1.174 nan 8.290 nan 0.000 0.650 358 W N -1.203 120.113 121.300 0.028 0.000 2.962 358 W HA 0.829 5.490 4.660 0.001 0.000 0.341 358 W C -1.456 175.082 176.519 0.032 0.000 1.155 358 W CA -1.999 55.373 57.345 0.044 0.000 1.165 358 W CB 0.527 30.052 29.460 0.109 0.000 1.435 358 W HN 0.409 nan 8.180 nan 0.000 0.546 359 Y N 2.524 123.016 120.300 0.321 0.000 2.457 359 Y HA 0.235 4.785 4.550 0.001 0.000 0.341 359 Y C 0.752 176.723 175.900 0.117 0.000 1.240 359 Y CA -0.676 57.500 58.100 0.127 0.000 1.437 359 Y CB 0.972 39.417 38.460 -0.025 0.000 1.328 359 Y HN 0.464 nan 8.280 nan 0.000 0.588 360 M N 1.890 121.656 119.600 0.276 0.000 2.205 360 M HA 0.215 4.695 4.480 0.001 0.000 0.344 360 M C 0.967 177.266 176.300 -0.001 0.000 1.085 360 M CA -0.342 55.041 55.300 0.138 0.000 1.001 360 M CB 1.191 33.852 32.600 0.101 0.000 1.626 360 M HN 0.815 nan 8.290 nan 0.000 0.442 361 S N 1.320 116.981 115.700 -0.064 0.000 2.400 361 S HA -0.233 4.238 4.470 0.001 0.000 0.234 361 S C 1.482 175.942 174.600 -0.234 0.000 1.049 361 S CA 2.369 60.453 58.200 -0.193 0.000 1.039 361 S CB -1.526 61.609 63.200 -0.109 0.000 0.856 361 S HN 0.928 nan 8.310 nan 0.000 0.465 362 T N 0.342 114.790 114.554 -0.176 0.000 2.915 362 T HA -0.026 4.325 4.350 0.001 0.000 0.269 362 T C 1.548 176.089 174.700 -0.266 0.000 1.071 362 T CA 1.186 63.134 62.100 -0.254 0.000 1.132 362 T CB -0.566 68.108 68.868 -0.325 0.000 0.878 362 T HN 0.620 nan 8.240 nan 0.000 0.479 363 E N 0.970 121.029 120.200 -0.236 0.000 2.110 363 E HA -0.043 4.308 4.350 0.001 0.000 0.193 363 E C 2.039 178.354 176.600 -0.476 0.000 0.988 363 E CA 1.324 57.583 56.400 -0.236 0.000 0.804 363 E CB -0.291 29.393 29.700 -0.026 0.000 0.745 363 E HN 0.603 nan 8.360 nan 0.000 0.458 364 I N 0.131 120.282 120.570 -0.699 0.000 2.364 364 I HA -0.025 4.146 4.170 0.001 0.000 0.241 364 I C 2.600 178.348 176.117 -0.615 0.000 1.082 364 I CA 0.833 61.557 61.300 -0.960 0.000 1.401 364 I CB -0.516 36.808 38.000 -1.126 0.000 1.126 364 I HN 0.087 nan 8.210 nan 0.000 0.429 365 G N 0.363 108.910 108.800 -0.421 0.000 2.422 365 G HA2 -0.160 3.801 3.960 0.001 0.000 0.218 365 G HA3 -0.160 3.801 3.960 0.001 0.000 0.218 365 G C 1.606 176.390 174.900 -0.194 0.000 1.146 365 G CA 1.486 46.436 45.100 -0.249 0.000 0.769 365 G HN 0.290 nan 8.290 nan 0.000 0.547 366 T N 0.040 114.458 114.554 -0.228 0.000 2.990 366 T HA 0.100 4.451 4.350 0.001 0.000 0.237 366 T C 2.509 177.101 174.700 -0.179 0.000 1.009 366 T CA 0.268 62.256 62.100 -0.186 0.000 1.195 366 T CB 0.050 68.791 68.868 -0.211 0.000 0.885 366 T HN 0.002 nan 8.240 nan 0.000 0.424 367 R N 2.130 122.503 120.500 -0.211 0.000 2.078 367 R HA 0.091 4.432 4.340 0.001 0.000 0.224 367 R C 2.218 178.403 176.300 -0.190 0.000 1.149 367 R CA 1.229 57.218 56.100 -0.186 0.000 0.916 367 R CB -1.371 28.824 30.300 -0.176 0.000 0.821 367 R HN 0.326 nan 8.270 nan 0.000 0.434 368 N N 1.043 119.583 118.700 -0.267 0.000 2.094 368 N HA -0.134 4.607 4.740 0.001 0.000 0.191 368 N C 1.965 177.388 175.510 -0.144 0.000 1.023 368 N CA 1.222 54.115 53.050 -0.263 0.000 0.857 368 N CB -0.316 37.733 38.487 -0.729 0.000 1.013 368 N HN 0.207 nan 8.380 nan 0.000 0.426 369 L N -0.950 120.136 121.223 -0.229 0.000 2.416 369 L HA 0.093 4.434 4.340 0.001 0.000 0.216 369 L C 1.356 178.246 176.870 0.033 0.000 1.098 369 L CA 0.298 55.104 54.840 -0.056 0.000 0.840 369 L CB 0.261 42.255 42.059 -0.109 0.000 0.981 369 L HN 0.164 nan 8.230 nan 0.000 0.462 370 C N -1.688 117.595 119.300 -0.029 0.000 3.188 370 C HA 0.176 4.637 4.460 0.001 0.000 0.315 370 C C 0.699 175.679 174.990 -0.016 0.000 1.285 370 C CA -0.890 58.125 59.018 -0.004 0.000 1.729 370 C CB -0.190 27.534 27.740 -0.027 0.000 2.257 370 C HN 0.288 nan 8.230 nan 0.000 0.645 371 D N 3.016 123.379 120.400 -0.062 0.000 2.506 371 D HA 0.029 4.670 4.640 0.001 0.000 0.234 371 D C -1.047 175.243 176.300 -0.017 0.000 1.143 371 D CA -1.148 52.803 54.000 -0.082 0.000 0.871 371 D CB 0.636 41.252 40.800 -0.306 0.000 1.190 371 D HN 0.211 nan 8.370 nan 0.000 0.459 372 P HA -0.164 nan 4.420 nan 0.000 0.218 372 P C 0.738 178.126 177.300 0.147 0.000 1.149 372 P CA 1.329 64.504 63.100 0.125 0.000 0.817 372 P CB -0.014 31.770 31.700 0.139 0.000 0.785 373 H N -1.997 117.082 119.070 0.016 0.000 2.524 373 H HA 0.337 4.894 4.556 0.001 0.000 0.280 373 H C 0.967 176.304 175.328 0.016 0.000 1.018 373 H CA -0.211 55.844 56.048 0.013 0.000 1.165 373 H CB -0.116 29.654 29.762 0.013 0.000 1.411 373 H HN -0.002 nan 8.280 nan 0.000 0.569 374 R N -0.270 120.135 120.500 -0.158 0.000 2.845 374 R HA 0.173 4.513 4.340 0.001 0.000 0.112 374 R C 1.147 177.417 176.300 -0.049 0.000 1.012 374 R CA -0.678 55.361 56.100 -0.101 0.000 0.744 374 R CB -0.833 29.420 30.300 -0.079 0.000 0.926 374 R HN 0.095 nan 8.270 nan 0.000 0.376 375 Y N 1.716 122.028 120.300 0.021 0.000 2.352 375 Y HA -0.026 4.525 4.550 0.001 0.000 0.292 375 Y C 0.772 176.697 175.900 0.042 0.000 1.136 375 Y CA 1.289 59.419 58.100 0.051 0.000 1.227 375 Y CB -0.215 38.315 38.460 0.118 0.000 0.991 375 Y HN 0.538 nan 8.280 nan 0.000 0.545 376 N N 0.985 119.775 118.700 0.150 0.000 2.688 376 N HA -0.224 4.517 4.740 0.001 0.000 0.258 376 N C 0.532 176.120 175.510 0.131 0.000 1.016 376 N CA 0.377 53.492 53.050 0.108 0.000 0.747 376 N CB -0.991 37.542 38.487 0.077 0.000 0.895 376 N HN 0.629 nan 8.380 nan 0.000 0.543 377 I N -3.125 117.534 120.570 0.148 0.000 3.793 377 I HA -0.006 4.165 4.170 0.001 0.000 0.315 377 I C 1.874 178.076 176.117 0.141 0.000 1.275 377 I CA -0.375 61.009 61.300 0.140 0.000 1.214 377 I CB -0.034 38.052 38.000 0.143 0.000 1.018 377 I HN 0.101 nan 8.210 nan 0.000 0.439 378 L N 1.844 123.159 121.223 0.154 0.000 1.991 378 L HA -0.290 4.051 4.340 0.001 0.000 0.221 378 L C 2.631 179.689 176.870 0.314 0.000 1.079 378 L CA 2.221 57.183 54.840 0.203 0.000 0.778 378 L CB -0.999 41.153 42.059 0.156 0.000 0.893 378 L HN 0.466 nan 8.230 nan 0.000 0.437 379 E N -1.080 119.317 120.200 0.329 0.000 2.077 379 E HA -0.227 4.124 4.350 0.001 0.000 0.193 379 E C 1.851 178.487 176.600 0.059 0.000 0.989 379 E CA 1.319 57.852 56.400 0.223 0.000 0.800 379 E CB -0.030 29.743 29.700 0.122 0.000 0.746 379 E HN 0.577 nan 8.360 nan 0.000 0.452 380 D N -0.045 120.389 120.400 0.056 0.000 2.116 380 D HA -0.172 4.469 4.640 0.001 0.000 0.193 380 D C 2.071 178.355 176.300 -0.026 0.000 0.998 380 D CA 1.437 55.436 54.000 -0.002 0.000 0.836 380 D CB -0.025 40.786 40.800 0.018 0.000 0.951 380 D HN 0.141 nan 8.370 nan 0.000 0.449 381 V N 1.800 121.745 119.914 0.051 0.000 2.358 381 V HA -0.225 3.896 4.120 0.001 0.000 0.246 381 V C 2.641 178.788 176.094 0.088 0.000 1.047 381 V CA 1.715 64.079 62.300 0.107 0.000 1.035 381 V CB -0.767 31.188 31.823 0.221 0.000 0.658 381 V HN 0.169 nan 8.190 nan 0.000 0.452 382 A N -0.207 122.688 122.820 0.125 0.000 1.908 382 A HA -0.185 4.135 4.320 0.001 0.000 0.218 382 A C 2.414 179.962 177.584 -0.060 0.000 1.181 382 A CA 2.193 54.299 52.037 0.114 0.000 0.627 382 A CB -0.740 18.401 19.000 0.234 0.000 0.818 382 A HN 0.334 nan 8.150 nan 0.000 0.445 383 V N -0.982 118.849 119.914 -0.140 0.000 2.343 383 V HA -0.310 3.811 4.120 0.001 0.000 0.247 383 V C 2.629 178.544 176.094 -0.297 0.000 1.051 383 V CA 2.066 64.241 62.300 -0.207 0.000 1.036 383 V CB -0.895 30.815 31.823 -0.189 0.000 0.654 383 V HN 0.728 nan 8.190 nan 0.000 0.451 384 C N -0.490 118.551 119.300 -0.432 0.000 2.435 384 C HA -0.114 4.347 4.460 0.001 0.000 0.279 384 C C 2.637 177.072 174.990 -0.925 0.000 1.321 384 C CA 0.916 59.384 59.018 -0.917 0.000 1.752 384 C CB -0.948 25.901 27.740 -1.485 0.000 1.959 384 C HN 0.526 nan 8.230 nan 0.000 0.500 385 M N 0.072 119.440 119.600 -0.387 0.000 2.595 385 M HA 0.024 4.505 4.480 0.001 0.000 0.248 385 M C 0.523 176.795 176.300 -0.047 0.000 1.119 385 M CA 0.946 56.240 55.300 -0.010 0.000 1.079 385 M CB -0.429 32.280 32.600 0.183 0.000 1.472 385 M HN 0.281 nan 8.290 nan 0.000 0.501 386 D N 1.517 121.834 120.400 -0.139 0.000 2.716 386 D HA -0.149 4.492 4.640 0.001 0.000 0.239 386 D C -0.984 175.282 176.300 -0.055 0.000 1.125 386 D CA 0.431 54.366 54.000 -0.108 0.000 0.681 386 D CB -0.933 39.814 40.800 -0.088 0.000 1.070 386 D HN 0.305 nan 8.370 nan 0.000 0.432 387 L N -0.139 121.055 121.223 -0.049 0.000 2.387 387 L HA 0.377 4.718 4.340 0.001 0.000 0.266 387 L C 1.039 177.859 176.870 -0.082 0.000 1.059 387 L CA -0.871 53.967 54.840 -0.003 0.000 0.801 387 L CB 0.728 42.845 42.059 0.098 0.000 1.223 387 L HN 0.003 nan 8.230 nan 0.000 0.456 388 D N 0.755 121.134 120.400 -0.036 0.000 2.498 388 D HA -0.004 4.637 4.640 0.001 0.000 0.229 388 D C 1.140 177.265 176.300 -0.292 0.000 1.188 388 D CA -0.020 53.924 54.000 -0.093 0.000 1.028 388 D CB 0.535 41.342 40.800 0.011 0.000 1.087 388 D HN 0.592 nan 8.370 nan 0.000 0.510 389 T N -0.208 113.993 114.554 -0.588 0.000 3.160 389 T HA -0.003 4.348 4.350 0.001 0.000 0.257 389 T C 1.686 176.016 174.700 -0.618 0.000 1.147 389 T CA 0.204 61.569 62.100 -1.225 0.000 1.064 389 T CB 0.139 68.300 68.868 -1.178 0.000 0.949 389 T HN 0.234 nan 8.240 nan 0.000 0.526 390 R N 0.684 121.019 120.500 -0.274 0.000 2.070 390 R HA 0.063 4.404 4.340 0.001 0.000 0.233 390 R C 1.356 177.669 176.300 0.023 0.000 1.137 390 R CA 1.335 57.375 56.100 -0.100 0.000 0.945 390 R CB -0.447 29.820 30.300 -0.054 0.000 0.845 390 R HN 0.387 nan 8.270 nan 0.000 0.430 391 T N -1.576 113.041 114.554 0.105 0.000 2.916 391 T HA 0.135 4.485 4.350 0.001 0.000 0.292 391 T C 1.143 176.053 174.700 0.350 0.000 1.055 391 T CA -0.388 61.829 62.100 0.195 0.000 1.009 391 T CB 1.857 70.793 68.868 0.112 0.000 1.118 391 T HN 0.331 nan 8.240 nan 0.000 0.497 392 T N 0.339 115.039 114.554 0.242 0.000 2.788 392 T HA -0.117 4.234 4.350 0.001 0.000 0.268 392 T C 2.153 176.898 174.700 0.077 0.000 1.044 392 T CA 1.806 63.982 62.100 0.126 0.000 1.139 392 T CB -0.847 68.047 68.868 0.043 0.000 0.867 392 T HN 0.675 nan 8.240 nan 0.000 0.454 393 S N 2.423 118.177 115.700 0.089 0.000 2.440 393 S HA -0.135 4.336 4.470 0.001 0.000 0.238 393 S C 2.173 176.820 174.600 0.079 0.000 1.010 393 S CA 1.190 59.428 58.200 0.063 0.000 0.972 393 S CB -1.027 62.205 63.200 0.055 0.000 0.774 393 S HN 0.803 nan 8.310 nan 0.000 0.501 394 S N 1.575 117.358 115.700 0.139 0.000 2.607 394 S HA 0.240 4.711 4.470 0.001 0.000 0.224 394 S C 0.926 175.611 174.600 0.141 0.000 0.969 394 S CA 0.193 58.483 58.200 0.149 0.000 0.927 394 S CB -1.013 62.306 63.200 0.197 0.000 0.772 394 S HN 0.617 nan 8.310 nan 0.000 0.533 395 L N 0.808 122.077 121.223 0.076 0.000 3.737 395 L HA -0.185 4.155 4.340 0.001 0.000 0.418 395 L C 1.679 178.558 176.870 0.015 0.000 1.216 395 L CA 0.736 55.564 54.840 -0.020 0.000 0.915 395 L CB -2.395 39.663 42.059 -0.002 0.000 1.834 395 L HN 0.750 nan 8.230 nan 0.000 0.943 396 W N -0.108 121.203 121.300 0.018 0.000 2.374 396 W HA -0.146 4.515 4.660 0.001 0.000 0.288 396 W C 1.695 178.230 176.519 0.028 0.000 1.218 396 W CA 1.270 58.628 57.345 0.022 0.000 1.245 396 W CB -0.660 28.809 29.460 0.014 0.000 1.126 396 W HN 0.300 nan 8.180 nan 0.000 0.545 397 K N 1.004 121.040 120.400 -0.607 0.000 2.062 397 K HA -0.131 4.190 4.320 0.001 0.000 0.205 397 K C 1.511 177.989 176.600 -0.204 0.000 1.051 397 K CA 2.155 58.103 56.287 -0.565 0.000 0.941 397 K CB -0.304 31.677 32.500 -0.864 0.000 0.719 397 K HN 0.036 nan 8.250 nan 0.000 0.440 398 D N 0.855 121.152 120.400 -0.170 0.000 2.117 398 D HA -0.115 4.526 4.640 0.001 0.000 0.198 398 D C 1.655 177.951 176.300 -0.006 0.000 0.982 398 D CA 1.168 55.121 54.000 -0.079 0.000 0.828 398 D CB 0.031 40.791 40.800 -0.068 0.000 0.967 398 D HN 0.099 nan 8.370 nan 0.000 0.464 399 K N 0.484 120.905 120.400 0.034 0.000 2.057 399 K HA 0.001 4.322 4.320 0.001 0.000 0.206 399 K C 2.200 178.870 176.600 0.115 0.000 1.050 399 K CA 1.087 57.424 56.287 0.083 0.000 0.935 399 K CB -0.139 32.430 32.500 0.114 0.000 0.715 399 K HN 0.085 nan 8.250 nan 0.000 0.439 400 A N 1.580 124.485 122.820 0.142 0.000 1.877 400 A HA -0.124 4.197 4.320 0.001 0.000 0.216 400 A C 2.385 180.057 177.584 0.147 0.000 1.186 400 A CA 1.877 54.025 52.037 0.185 0.000 0.620 400 A CB -0.725 18.415 19.000 0.233 0.000 0.822 400 A HN 0.334 nan 8.150 nan 0.000 0.443 401 A N -0.645 122.220 122.820 0.075 0.000 1.902 401 A HA -0.007 4.314 4.320 0.001 0.000 0.217 401 A C 2.236 179.844 177.584 0.040 0.000 1.181 401 A CA 1.766 53.824 52.037 0.036 0.000 0.623 401 A CB -0.950 18.034 19.000 -0.028 0.000 0.818 401 A HN 0.381 nan 8.150 nan 0.000 0.443 402 V N 0.376 120.320 119.914 0.049 0.000 2.332 402 V HA -0.224 3.897 4.120 0.001 0.000 0.248 402 V C 2.590 178.733 176.094 0.081 0.000 1.055 402 V CA 2.225 64.559 62.300 0.058 0.000 1.038 402 V CB -0.653 31.209 31.823 0.064 0.000 0.651 402 V HN 0.534 nan 8.190 nan 0.000 0.450 403 E N -0.131 120.145 120.200 0.127 0.000 2.106 403 E HA -0.125 4.225 4.350 0.001 0.000 0.192 403 E C 2.124 178.811 176.600 0.143 0.000 0.984 403 E CA 1.203 57.712 56.400 0.183 0.000 0.806 403 E CB -0.293 29.521 29.700 0.192 0.000 0.750 403 E HN 0.592 nan 8.360 nan 0.000 0.458 404 I N 1.320 121.994 120.570 0.172 0.000 2.226 404 I HA -0.288 3.883 4.170 0.001 0.000 0.245 404 I C 1.778 177.896 176.117 0.001 0.000 1.100 404 I CA 1.136 62.537 61.300 0.169 0.000 1.374 404 I CB -0.379 37.747 38.000 0.210 0.000 1.057 404 I HN 0.036 nan 8.210 nan 0.000 0.413 405 N N 0.745 119.436 118.700 -0.014 0.000 2.166 405 N HA -0.176 4.565 4.740 0.001 0.000 0.186 405 N C 1.694 177.163 175.510 -0.068 0.000 1.019 405 N CA 0.914 53.928 53.050 -0.060 0.000 0.856 405 N CB -0.226 38.238 38.487 -0.039 0.000 0.993 405 N HN 0.169 nan 8.380 nan 0.000 0.426 406 L N 0.498 121.683 121.223 -0.063 0.000 2.093 406 L HA 0.022 4.363 4.340 0.001 0.000 0.208 406 L C 1.943 178.675 176.870 -0.229 0.000 1.085 406 L CA 1.284 56.050 54.840 -0.124 0.000 0.755 406 L CB -0.653 41.326 42.059 -0.132 0.000 0.904 406 L HN 0.154 nan 8.230 nan 0.000 0.435 407 A N -1.540 121.091 122.820 -0.315 0.000 2.015 407 A HA -0.101 4.220 4.320 0.001 0.000 0.219 407 A C 2.238 179.706 177.584 -0.193 0.000 1.163 407 A CA 1.688 53.457 52.037 -0.447 0.000 0.646 407 A CB -0.819 17.573 19.000 -1.013 0.000 0.806 407 A HN 0.292 nan 8.150 nan 0.000 0.448 408 V N -0.212 119.622 119.914 -0.133 0.000 2.323 408 V HA -0.186 3.934 4.120 0.001 0.000 0.244 408 V C 2.522 178.598 176.094 -0.029 0.000 1.041 408 V CA 1.754 64.013 62.300 -0.069 0.000 1.025 408 V CB -0.594 31.119 31.823 -0.184 0.000 0.656 408 V HN 0.571 nan 8.190 nan 0.000 0.451 409 L N -0.448 120.738 121.223 -0.061 0.000 2.056 409 L HA -0.202 4.139 4.340 0.001 0.000 0.207 409 L C 2.597 179.487 176.870 0.033 0.000 1.078 409 L CA 2.066 56.893 54.840 -0.022 0.000 0.749 409 L CB -0.771 41.271 42.059 -0.028 0.000 0.901 409 L HN 0.487 nan 8.230 nan 0.000 0.433 410 H N -0.429 118.585 119.070 -0.093 0.000 2.321 410 H HA -0.137 4.420 4.556 0.001 0.000 0.300 410 H C 2.355 177.658 175.328 -0.041 0.000 1.087 410 H CA 1.968 57.954 56.048 -0.104 0.000 1.319 410 H CB -0.009 29.623 29.762 -0.215 0.000 1.379 410 H HN 0.122 nan 8.280 nan 0.000 0.501 411 S N -0.346 115.281 115.700 -0.120 0.000 2.356 411 S HA -0.120 4.351 4.470 0.001 0.000 0.223 411 S C 1.876 176.454 174.600 -0.036 0.000 1.032 411 S CA 1.310 59.441 58.200 -0.115 0.000 1.005 411 S CB -0.457 62.772 63.200 0.047 0.000 0.867 411 S HN 0.346 nan 8.310 nan 0.000 0.449 412 F N 1.866 121.751 119.950 -0.109 0.000 2.234 412 F HA -0.043 4.485 4.527 0.002 0.000 0.299 412 F C 2.572 178.318 175.800 -0.090 0.000 1.087 412 F CA 0.844 58.806 58.000 -0.063 0.000 1.340 412 F CB -0.505 38.486 39.000 -0.015 0.000 1.031 412 F HN 0.230 nan 8.300 nan 0.000 0.500 413 Q N -0.748 119.078 119.800 0.044 0.000 2.083 413 Q HA -0.149 4.192 4.340 0.001 0.000 0.198 413 Q C 2.192 178.127 176.000 -0.109 0.000 0.969 413 Q CA 1.011 56.795 55.803 -0.033 0.000 0.838 413 Q CB -0.383 28.335 28.738 -0.034 0.000 0.900 413 Q HN 0.322 nan 8.270 nan 0.000 0.436 414 L N 0.486 121.579 121.223 -0.217 0.000 2.083 414 L HA -0.019 4.322 4.340 0.001 0.000 0.209 414 L C 0.877 177.654 176.870 -0.155 0.000 1.083 414 L CA 1.214 55.912 54.840 -0.236 0.000 0.752 414 L CB -0.646 41.175 42.059 -0.397 0.000 0.899 414 L HN 0.069 nan 8.230 nan 0.000 0.433 415 A N -0.568 122.158 122.820 -0.157 0.000 2.250 415 A HA 0.345 4.666 4.320 0.001 0.000 0.283 415 A C 0.896 178.413 177.584 -0.111 0.000 1.206 415 A CA 0.132 52.083 52.037 -0.143 0.000 0.840 415 A CB 0.160 19.036 19.000 -0.207 0.000 1.220 415 A HN 0.351 nan 8.150 nan 0.000 0.505 416 K N -0.380 119.958 120.400 -0.103 0.000 2.458 416 K HA 0.261 4.582 4.320 0.001 0.000 0.194 416 K C -0.352 176.208 176.600 -0.068 0.000 1.024 416 K CA 0.079 56.320 56.287 -0.077 0.000 1.108 416 K CB -0.916 31.545 32.500 -0.066 0.000 0.846 416 K HN 0.187 nan 8.250 nan 0.000 0.518 417 V N 1.810 121.675 119.914 -0.081 0.000 2.461 417 V HA 0.123 4.244 4.120 0.001 0.000 0.275 417 V C 0.216 176.382 176.094 0.120 0.000 1.047 417 V CA -0.817 61.475 62.300 -0.014 0.000 0.955 417 V CB 0.936 32.665 31.823 -0.157 0.000 0.988 417 V HN 0.215 nan 8.190 nan 0.000 0.471 418 T N 6.588 121.188 114.554 0.077 0.000 2.928 418 T HA 0.502 4.853 4.350 0.001 0.000 0.305 418 T C -0.220 174.557 174.700 0.128 0.000 1.035 418 T CA 0.616 62.696 62.100 -0.034 0.000 1.145 418 T CB 0.242 68.950 68.868 -0.266 0.000 0.963 418 T HN 0.618 nan 8.240 nan 0.000 0.545 419 I N 2.150 122.733 120.570 0.022 0.000 2.882 419 I HA 0.583 4.754 4.170 0.001 0.000 0.298 419 I C -1.687 174.468 176.117 0.064 0.000 1.462 419 I CA -0.881 60.476 61.300 0.096 0.000 1.000 419 I CB 1.885 39.890 38.000 0.008 0.000 1.340 419 I HN 0.442 nan 8.210 nan 0.000 0.462 420 V N 5.038 125.047 119.914 0.158 0.000 2.638 420 V HA 0.501 4.621 4.120 0.001 0.000 0.306 420 V C -1.195 174.958 176.094 0.099 0.000 1.052 420 V CA -0.277 62.113 62.300 0.150 0.000 0.885 420 V CB 2.173 34.170 31.823 0.290 0.000 0.999 420 V HN 0.866 nan 8.190 nan 0.000 0.424 421 D N 4.016 124.448 120.400 0.053 0.000 2.354 421 D HA 0.193 4.834 4.640 0.001 0.000 0.247 421 D C 1.271 177.573 176.300 0.003 0.000 1.138 421 D CA 0.138 54.151 54.000 0.021 0.000 0.958 421 D CB 0.438 41.210 40.800 -0.047 0.000 1.144 421 D HN 0.723 nan 8.370 nan 0.000 0.458 422 H N -0.370 118.634 119.070 -0.110 0.000 2.489 422 H HA -0.129 4.428 4.556 0.001 0.000 0.293 422 H C 0.962 176.191 175.328 -0.165 0.000 1.066 422 H CA 1.272 57.219 56.048 -0.169 0.000 1.305 422 H CB -0.547 29.054 29.762 -0.269 0.000 1.386 422 H HN 0.513 nan 8.280 nan 0.000 0.551 423 H N 0.991 119.880 119.070 -0.302 0.000 2.372 423 H HA 0.182 4.739 4.556 0.001 0.000 0.301 423 H C 2.480 177.787 175.328 -0.034 0.000 1.065 423 H CA 1.223 57.180 56.048 -0.152 0.000 1.364 423 H CB -0.171 29.466 29.762 -0.208 0.000 1.406 423 H HN 0.507 nan 8.280 nan 0.000 0.521 424 A N 1.400 124.271 122.820 0.085 0.000 1.873 424 A HA -0.054 4.267 4.320 0.001 0.000 0.215 424 A C 2.695 180.350 177.584 0.118 0.000 1.186 424 A CA 1.663 53.755 52.037 0.092 0.000 0.616 424 A CB -0.826 18.220 19.000 0.077 0.000 0.823 424 A HN 0.410 nan 8.150 nan 0.000 0.442 425 A N -0.101 122.788 122.820 0.116 0.000 1.883 425 A HA -0.150 4.171 4.320 0.001 0.000 0.217 425 A C 2.460 180.140 177.584 0.160 0.000 1.186 425 A CA 2.781 54.903 52.037 0.143 0.000 0.624 425 A CB -1.515 17.558 19.000 0.122 0.000 0.822 425 A HN 0.783 nan 8.150 nan 0.000 0.444 426 T N -2.749 111.885 114.554 0.133 0.000 2.867 426 T HA -0.056 4.295 4.350 0.001 0.000 0.268 426 T C 1.665 176.495 174.700 0.217 0.000 1.057 426 T CA 1.322 63.527 62.100 0.174 0.000 1.136 426 T CB -0.632 68.307 68.868 0.119 0.000 0.874 426 T HN 0.059 nan 8.240 nan 0.000 0.466 427 V N 2.754 122.770 119.914 0.169 0.000 2.358 427 V HA -0.162 3.959 4.120 0.001 0.000 0.246 427 V C 3.213 179.396 176.094 0.148 0.000 1.047 427 V CA 2.026 64.415 62.300 0.147 0.000 1.035 427 V CB -0.916 30.975 31.823 0.114 0.000 0.658 427 V HN 0.793 nan 8.190 nan 0.000 0.452 428 S N -0.130 115.667 115.700 0.162 0.000 2.382 428 S HA -0.232 4.238 4.470 0.001 0.000 0.228 428 S C 1.984 176.698 174.600 0.190 0.000 1.027 428 S CA 1.569 59.864 58.200 0.159 0.000 0.991 428 S CB -0.741 62.558 63.200 0.165 0.000 0.823 428 S HN 0.499 nan 8.310 nan 0.000 0.469 429 F N 2.057 122.067 119.950 0.100 0.000 2.186 429 F HA 0.096 4.623 4.527 0.001 0.000 0.299 429 F C 2.267 178.155 175.800 0.147 0.000 1.090 429 F CA 1.187 59.259 58.000 0.119 0.000 1.307 429 F CB -0.327 38.721 39.000 0.080 0.000 1.019 429 F HN 0.119 nan 8.300 nan 0.000 0.489 430 M N 0.024 119.687 119.600 0.105 0.000 2.159 430 M HA -0.164 4.316 4.480 0.001 0.000 0.263 430 M C 2.186 178.465 176.300 -0.034 0.000 1.063 430 M CA 1.438 56.756 55.300 0.029 0.000 1.110 430 M CB -1.177 31.487 32.600 0.106 0.000 1.374 430 M HN 0.063 nan 8.290 nan 0.000 0.411 431 K N -0.224 120.182 120.400 0.011 0.000 2.025 431 K HA -0.195 4.126 4.320 0.001 0.000 0.207 431 K C 1.987 178.567 176.600 -0.034 0.000 1.049 431 K CA 1.810 58.100 56.287 0.005 0.000 0.933 431 K CB -0.735 31.792 32.500 0.044 0.000 0.714 431 K HN 0.387 nan 8.250 nan 0.000 0.438 432 H N 0.067 119.050 119.070 -0.146 0.000 2.352 432 H HA -0.022 4.535 4.556 0.001 0.000 0.299 432 H C 1.758 176.923 175.328 -0.271 0.000 1.097 432 H CA 2.234 58.166 56.048 -0.193 0.000 1.311 432 H CB -0.196 29.416 29.762 -0.251 0.000 1.377 432 H HN 0.174 nan 8.280 nan 0.000 0.504 433 L N -0.207 120.739 121.223 -0.462 0.000 2.042 433 L HA -0.184 4.157 4.340 0.001 0.000 0.210 433 L C 2.330 179.047 176.870 -0.255 0.000 1.076 433 L CA 1.831 56.423 54.840 -0.413 0.000 0.749 433 L CB -0.479 41.397 42.059 -0.305 0.000 0.893 433 L HN 0.411 nan 8.230 nan 0.000 0.432 434 D N -0.079 120.217 120.400 -0.173 0.000 2.097 434 D HA -0.191 4.450 4.640 0.001 0.000 0.195 434 D C 1.893 178.124 176.300 -0.115 0.000 0.989 434 D CA 1.265 55.202 54.000 -0.106 0.000 0.827 434 D CB 0.044 40.807 40.800 -0.061 0.000 0.966 434 D HN 0.130 nan 8.370 nan 0.000 0.456 435 N N 0.493 119.110 118.700 -0.138 0.000 2.104 435 N HA -0.133 4.608 4.740 0.001 0.000 0.190 435 N C 1.597 177.023 175.510 -0.140 0.000 1.024 435 N CA 0.882 53.867 53.050 -0.109 0.000 0.853 435 N CB -0.277 38.165 38.487 -0.075 0.000 1.008 435 N HN 0.343 nan 8.380 nan 0.000 0.424 436 E N 0.486 120.522 120.200 -0.274 0.000 2.208 436 E HA -0.144 4.207 4.350 0.001 0.000 0.193 436 E C 1.829 178.349 176.600 -0.133 0.000 0.988 436 E CA 0.502 56.751 56.400 -0.251 0.000 0.828 436 E CB -0.045 29.401 29.700 -0.424 0.000 0.763 436 E HN 0.355 nan 8.360 nan 0.000 0.478 437 Q N 1.429 121.160 119.800 -0.115 0.000 2.079 437 Q HA -0.104 4.236 4.340 0.001 0.000 0.200 437 Q C 1.707 177.683 176.000 -0.039 0.000 0.974 437 Q CA 1.610 57.378 55.803 -0.057 0.000 0.840 437 Q CB 0.102 28.810 28.738 -0.048 0.000 0.898 437 Q HN 0.127 nan 8.270 nan 0.000 0.430 438 K N -0.699 119.674 120.400 -0.044 0.000 2.076 438 K HA 0.069 4.390 4.320 0.001 0.000 0.204 438 K C 2.050 178.638 176.600 -0.021 0.000 1.051 438 K CA 0.921 57.191 56.287 -0.028 0.000 0.949 438 K CB -0.157 32.328 32.500 -0.026 0.000 0.726 438 K HN 0.209 nan 8.250 nan 0.000 0.443 439 A N 1.698 124.505 122.820 -0.023 0.000 1.840 439 A HA -0.080 4.241 4.320 0.001 0.000 0.214 439 A C 1.906 179.488 177.584 -0.003 0.000 1.198 439 A CA 1.221 53.256 52.037 -0.002 0.000 0.608 439 A CB -0.143 18.867 19.000 0.018 0.000 0.839 439 A HN 0.147 nan 8.150 nan 0.000 0.443 440 R N -2.062 118.428 120.500 -0.017 0.000 2.437 440 R HA 0.270 4.611 4.340 0.001 0.000 0.257 440 R C 0.823 177.126 176.300 0.006 0.000 0.927 440 R CA 0.528 56.626 56.100 -0.004 0.000 1.078 440 R CB 0.550 30.844 30.300 -0.010 0.000 1.161 440 R HN 0.732 nan 8.270 nan 0.000 0.529 441 G N 0.897 109.695 108.800 -0.004 0.000 2.160 441 G HA2 -0.179 3.782 3.960 0.001 0.000 0.244 441 G HA3 -0.179 3.782 3.960 0.001 0.000 0.244 441 G C 0.204 175.126 174.900 0.037 0.000 1.022 441 G CA 0.032 45.136 45.100 0.006 0.000 0.741 441 G HN 0.724 nan 8.290 nan 0.000 0.508 442 G N -2.411 106.410 108.800 0.035 0.000 2.356 442 G HA2 0.545 4.506 3.960 0.001 0.000 0.300 442 G HA3 0.545 4.506 3.960 0.001 0.000 0.300 442 G C -0.721 174.224 174.900 0.074 0.000 1.331 442 G CA 0.489 45.640 45.100 0.085 0.000 0.905 442 G HN 2.069 nan 8.290 nan 0.000 0.587 443 C N 1.849 121.225 119.300 0.126 0.000 2.924 443 C HA 0.690 5.151 4.460 0.001 0.000 0.400 443 C C -2.591 172.412 174.990 0.023 0.000 1.032 443 C CA -1.072 57.972 59.018 0.042 0.000 1.236 443 C CB 1.304 29.004 27.740 -0.067 0.000 1.660 443 C HN 0.745 nan 8.230 nan 0.000 0.510 444 P HA 0.385 nan 4.420 nan 0.000 0.266 444 P C -0.540 176.673 177.300 -0.145 0.000 1.215 444 P CA 0.689 63.446 63.100 -0.573 0.000 0.763 444 P CB 0.956 32.074 31.700 -0.970 0.000 0.806 445 A N 2.960 125.769 122.820 -0.020 0.000 2.486 445 A HA 0.453 4.774 4.320 0.001 0.000 0.300 445 A C -1.039 176.605 177.584 0.099 0.000 1.048 445 A CA -0.568 51.534 52.037 0.109 0.000 0.696 445 A CB 1.454 20.631 19.000 0.295 0.000 1.278 445 A HN 0.462 nan 8.150 nan 0.000 0.405 446 D N 1.710 122.162 120.400 0.087 0.000 2.460 446 D HA 0.128 4.769 4.640 0.001 0.000 0.232 446 D C 0.703 177.146 176.300 0.238 0.000 1.079 446 D CA -0.484 53.604 54.000 0.146 0.000 0.864 446 D CB 0.525 41.360 40.800 0.058 0.000 1.048 446 D HN 0.631 nan 8.370 nan 0.000 0.523 447 W N 4.211 125.557 121.300 0.076 0.000 2.290 447 W HA -0.337 4.324 4.660 0.002 0.000 0.311 447 W C 1.937 178.486 176.519 0.050 0.000 1.238 447 W CA 2.416 59.788 57.345 0.045 0.000 1.255 447 W CB 0.107 29.568 29.460 0.003 0.000 1.145 447 W HN 0.572 nan 8.180 nan 0.000 0.506 448 A N -1.287 121.811 122.820 0.465 0.000 1.972 448 A HA -0.192 4.129 4.320 0.001 0.000 0.219 448 A C 1.476 179.085 177.584 0.041 0.000 1.169 448 A CA 1.648 53.862 52.037 0.295 0.000 0.635 448 A CB -1.263 17.931 19.000 0.322 0.000 0.810 448 A HN 0.531 nan 8.150 nan 0.000 0.446 449 W N -0.786 120.487 121.300 -0.046 0.000 2.630 449 W HA 0.174 4.835 4.660 0.001 0.000 0.271 449 W C 1.874 178.278 176.519 -0.191 0.000 1.244 449 W CA -0.090 57.203 57.345 -0.087 0.000 1.353 449 W CB -0.171 29.265 29.460 -0.041 0.000 1.080 449 W HN 0.126 nan 8.180 nan 0.000 0.594 450 I N -0.027 120.500 120.570 -0.071 0.000 2.252 450 I HA -0.091 4.079 4.170 0.001 0.000 0.245 450 I C 0.681 176.594 176.117 -0.341 0.000 1.102 450 I CA 0.837 61.954 61.300 -0.305 0.000 1.385 450 I CB -1.564 36.174 38.000 -0.438 0.000 1.064 450 I HN -0.390 nan 8.210 nan 0.000 0.414 451 V N 4.785 124.421 119.914 -0.465 0.000 2.470 451 V HA 0.099 4.219 4.120 0.001 0.000 0.276 451 V C -1.711 174.201 176.094 -0.304 0.000 1.040 451 V CA -1.165 60.844 62.300 -0.485 0.000 1.008 451 V CB 0.244 31.517 31.823 -0.917 0.000 0.990 451 V HN 0.162 nan 8.190 nan 0.000 0.477 452 P HA 0.106 nan 4.420 nan 0.000 0.268 452 P C -1.955 175.211 177.300 -0.223 0.000 1.208 452 P CA -1.238 61.731 63.100 -0.218 0.000 0.777 452 P CB 0.113 31.680 31.700 -0.222 0.000 0.875 453 P HA -0.024 nan 4.420 nan 0.000 0.225 453 P C 0.531 177.720 177.300 -0.185 0.000 1.148 453 P CA 1.285 64.263 63.100 -0.202 0.000 0.779 453 P CB 0.069 31.643 31.700 -0.210 0.000 0.780 454 I N -6.717 113.708 120.570 -0.242 0.000 2.828 454 I HA 0.468 4.638 4.170 0.001 0.000 0.302 454 I C -0.243 175.764 176.117 -0.183 0.000 1.101 454 I CA -1.222 59.958 61.300 -0.201 0.000 1.031 454 I CB 2.127 39.993 38.000 -0.224 0.000 1.231 454 I HN -0.381 nan 8.210 nan 0.000 0.427 455 S N 2.350 117.996 115.700 -0.090 0.000 3.641 455 S HA -0.179 4.292 4.470 0.001 0.000 0.346 455 S C 1.316 175.888 174.600 -0.047 0.000 1.074 455 S CA 0.754 58.937 58.200 -0.027 0.000 1.026 455 S CB -1.720 61.530 63.200 0.084 0.000 0.908 455 S HN 1.278 nan 8.310 nan 0.000 0.479 456 G N 2.412 111.164 108.800 -0.079 0.000 2.586 456 G HA2 -0.319 3.642 3.960 0.001 0.000 0.218 456 G HA3 -0.319 3.642 3.960 0.001 0.000 0.218 456 G C 1.498 176.263 174.900 -0.225 0.000 1.216 456 G CA 1.585 46.654 45.100 -0.050 0.000 0.786 456 G HN 1.282 nan 8.290 nan 0.000 0.583 457 S N 0.058 115.334 115.700 -0.708 0.000 2.474 457 S HA 0.071 4.542 4.470 0.001 0.000 0.235 457 S C 1.977 176.495 174.600 -0.136 0.000 0.997 457 S CA 0.782 58.413 58.200 -0.948 0.000 0.949 457 S CB -0.110 62.454 63.200 -1.060 0.000 0.766 457 S HN 0.064 nan 8.310 nan 0.000 0.517 458 L N 2.520 123.720 121.223 -0.038 0.000 2.622 458 L HA 0.222 4.563 4.340 0.001 0.000 0.233 458 L C 1.296 178.291 176.870 0.210 0.000 1.156 458 L CA 0.690 55.598 54.840 0.113 0.000 0.866 458 L CB -1.241 40.919 42.059 0.169 0.000 0.980 458 L HN 0.632 nan 8.230 nan 0.000 0.448 459 T N -5.003 109.660 114.554 0.181 0.000 2.912 459 T HA 0.404 4.755 4.350 0.001 0.000 0.288 459 T C -1.761 173.105 174.700 0.277 0.000 1.030 459 T CA -1.903 60.329 62.100 0.220 0.000 1.020 459 T CB 2.163 71.114 68.868 0.138 0.000 1.056 459 T HN -0.187 nan 8.240 nan 0.000 0.480 460 P HA -0.098 nan 4.420 nan 0.000 0.218 460 P C 1.803 179.296 177.300 0.322 0.000 1.149 460 P CA 1.181 64.473 63.100 0.321 0.000 0.817 460 P CB -0.334 31.501 31.700 0.226 0.000 0.785 461 V N -3.641 116.412 119.914 0.231 0.000 2.626 461 V HA -0.192 3.929 4.120 0.001 0.000 0.252 461 V C 2.406 178.580 176.094 0.132 0.000 1.067 461 V CA 1.279 63.687 62.300 0.179 0.000 1.081 461 V CB -2.266 29.601 31.823 0.074 0.000 0.686 461 V HN -0.118 nan 8.190 nan 0.000 0.468 462 F N 1.901 121.798 119.950 -0.088 0.000 2.161 462 F HA -0.144 4.383 4.527 0.001 0.000 0.300 462 F C 2.410 178.274 175.800 0.107 0.000 1.089 462 F CA 2.101 60.041 58.000 -0.100 0.000 1.282 462 F CB -0.322 38.506 39.000 -0.288 0.000 1.010 462 F HN 0.284 nan 8.300 nan 0.000 0.485 463 H N -0.924 118.510 119.070 0.606 0.000 2.539 463 H HA 0.114 4.671 4.556 0.001 0.000 0.267 463 H C 0.266 175.867 175.328 0.456 0.000 0.982 463 H CA 0.231 56.595 56.048 0.526 0.000 1.146 463 H CB -0.210 29.817 29.762 0.441 0.000 1.382 463 H HN 0.261 nan 8.280 nan 0.000 0.577 464 Q N 1.848 121.929 119.800 0.468 0.000 2.325 464 Q HA 0.174 4.515 4.340 0.001 0.000 0.262 464 Q C -0.587 175.656 176.000 0.405 0.000 0.968 464 Q CA -0.446 55.586 55.803 0.380 0.000 0.877 464 Q CB 0.930 29.853 28.738 0.308 0.000 1.253 464 Q HN 0.211 nan 8.270 nan 0.000 0.448 465 E N 3.361 123.755 120.200 0.323 0.000 2.383 465 E HA 0.295 4.646 4.350 0.001 0.000 0.264 465 E C -0.545 176.202 176.600 0.244 0.000 1.050 465 E CA 0.205 56.759 56.400 0.256 0.000 0.896 465 E CB 0.853 30.681 29.700 0.214 0.000 0.982 465 E HN 0.604 nan 8.360 nan 0.000 0.424 466 M N 1.515 121.258 119.600 0.239 0.000 2.501 466 M HA 0.356 4.837 4.480 0.001 0.000 0.293 466 M C -1.200 175.219 176.300 0.198 0.000 1.192 466 M CA -0.960 54.486 55.300 0.244 0.000 0.886 466 M CB 2.380 35.177 32.600 0.327 0.000 1.710 466 M HN 0.156 nan 8.290 nan 0.000 0.457 467 V N 1.915 121.958 119.914 0.216 0.000 2.483 467 V HA 0.507 4.627 4.120 0.001 0.000 0.295 467 V C -0.631 175.614 176.094 0.252 0.000 1.035 467 V CA -0.690 61.763 62.300 0.255 0.000 0.896 467 V CB 1.732 33.754 31.823 0.330 0.000 0.986 467 V HN 0.803 nan 8.190 nan 0.000 0.447 468 N N 3.431 122.269 118.700 0.230 0.000 2.354 468 N HA 0.642 5.383 4.740 0.001 0.000 0.287 468 N C -1.267 174.354 175.510 0.186 0.000 1.016 468 N CA -0.439 52.664 53.050 0.088 0.000 0.871 468 N CB 1.506 40.036 38.487 0.071 0.000 1.299 468 N HN 0.646 nan 8.380 nan 0.000 0.482 469 Y N 0.879 121.200 120.300 0.035 0.000 2.705 469 Y HA 0.601 5.152 4.550 0.001 0.000 0.332 469 Y C -0.997 174.909 175.900 0.010 0.000 1.221 469 Y CA -1.302 56.810 58.100 0.021 0.000 1.059 469 Y CB 0.930 39.404 38.460 0.023 0.000 1.298 469 Y HN 0.117 nan 8.280 nan 0.000 0.459 470 I N 3.570 124.233 120.570 0.155 0.000 2.321 470 I HA 0.417 4.588 4.170 0.001 0.000 0.291 470 I C -0.638 175.545 176.117 0.109 0.000 0.998 470 I CA -0.528 60.808 61.300 0.060 0.000 1.227 470 I CB 0.951 38.977 38.000 0.044 0.000 1.368 470 I HN 0.551 nan 8.210 nan 0.000 0.466 471 L N 4.303 125.555 121.223 0.048 0.000 2.333 471 L HA 0.540 4.881 4.340 0.001 0.000 0.269 471 L C 0.146 177.020 176.870 0.007 0.000 1.010 471 L CA -0.532 54.347 54.840 0.064 0.000 0.818 471 L CB 2.230 44.324 42.059 0.057 0.000 1.306 471 L HN 0.549 nan 8.230 nan 0.000 0.430 472 S N 1.367 117.079 115.700 0.022 0.000 2.513 472 S HA 0.625 5.096 4.470 0.001 0.000 0.299 472 S C -2.584 172.030 174.600 0.024 0.000 1.087 472 S CA -1.412 56.785 58.200 -0.004 0.000 1.012 472 S CB 1.913 65.125 63.200 0.019 0.000 1.044 472 S HN 0.232 nan 8.310 nan 0.000 0.485 473 P HA 0.366 nan 4.420 nan 0.000 0.267 473 P C -1.331 175.853 177.300 -0.193 0.000 1.201 473 P CA 0.026 63.032 63.100 -0.157 0.000 0.775 473 P CB 0.467 32.027 31.700 -0.234 0.000 0.854 474 A N 1.552 124.219 122.820 -0.255 0.000 2.606 474 A HA 0.669 4.990 4.320 0.001 0.000 0.293 474 A C -1.619 175.768 177.584 -0.329 0.000 1.082 474 A CA -0.468 51.428 52.037 -0.235 0.000 0.685 474 A CB 0.792 19.719 19.000 -0.120 0.000 1.284 474 A HN 0.295 nan 8.150 nan 0.000 0.408 475 F N 1.169 121.024 119.950 -0.158 0.000 2.410 475 F HA 0.663 5.191 4.527 0.001 0.000 0.349 475 F C 0.979 176.650 175.800 -0.215 0.000 1.117 475 F CA 0.273 58.172 58.000 -0.170 0.000 1.104 475 F CB 1.688 40.545 39.000 -0.238 0.000 1.122 475 F HN 0.573 nan 8.300 nan 0.000 0.483 476 R N 1.617 122.112 120.500 -0.009 0.000 2.912 476 R HA 0.529 4.870 4.340 0.001 0.000 0.262 476 R C -1.503 174.735 176.300 -0.103 0.000 1.057 476 R CA -1.174 54.863 56.100 -0.106 0.000 0.981 476 R CB 1.537 31.818 30.300 -0.031 0.000 1.201 476 R HN 0.393 nan 8.270 nan 0.000 0.484 477 Y N 0.982 121.297 120.300 0.025 0.000 2.316 477 Y HA 0.236 4.787 4.550 0.001 0.000 0.324 477 Y C 0.425 176.321 175.900 -0.007 0.000 1.267 477 Y CA -0.153 57.954 58.100 0.011 0.000 1.311 477 Y CB 1.151 39.604 38.460 -0.011 0.000 1.267 477 Y HN 0.449 nan 8.280 nan 0.000 0.516 478 Q N 0.813 120.708 119.800 0.158 0.000 2.462 478 Q HA 0.601 4.942 4.340 0.001 0.000 0.285 478 Q C -3.181 172.793 176.000 -0.044 0.000 1.035 478 Q CA -2.476 53.350 55.803 0.039 0.000 0.799 478 Q CB 2.157 30.910 28.738 0.024 0.000 1.452 478 Q HN 0.254 nan 8.270 nan 0.000 0.404 479 P HA 0.043 nan 4.420 nan 0.000 0.268 479 P C -1.008 176.091 177.300 -0.335 0.000 1.208 479 P CA 0.099 63.076 63.100 -0.205 0.000 0.777 479 P CB 0.353 31.944 31.700 -0.182 0.000 0.875 480 D N 3.265 123.333 120.400 -0.554 0.000 2.390 480 D HA 0.026 4.667 4.640 0.001 0.000 0.249 480 D C -0.965 174.753 176.300 -0.971 0.000 1.144 480 D CA -1.349 52.050 54.000 -1.001 0.000 0.880 480 D CB 0.247 40.046 40.800 -1.669 0.000 1.182 480 D HN 0.283 nan 8.370 nan 0.000 0.451 481 P HA -0.131 nan 4.420 nan 0.000 0.220 481 P C 0.374 177.356 177.300 -0.531 0.000 1.144 481 P CA 0.981 63.720 63.100 -0.601 0.000 0.800 481 P CB 0.085 31.401 31.700 -0.640 0.000 0.772 482 W N 0.000 120.864 121.300 -0.726 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.084 57.345 -0.434 0.000 1.226 482 W CB 0.000 29.181 29.460 -0.465 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535