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 1dmj_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 0.000 176.395 176.600 -0.342 0.000 0.988 69 K CA 0.000 56.077 56.287 -0.350 0.000 0.838 69 K CB 0.000 32.109 32.500 -0.651 0.000 1.064 70 F N 5.507 125.462 119.950 0.010 0.000 2.445 70 F HA 0.266 4.794 4.527 0.002 0.000 0.359 70 F C -1.782 174.085 175.800 0.111 0.000 1.101 70 F CA -1.879 56.144 58.000 0.038 0.000 1.177 70 F CB 0.143 39.164 39.000 0.034 0.000 1.110 70 F HN -0.069 nan 8.300 nan 0.000 0.522 71 P HA 0.053 nan 4.420 nan 0.000 0.271 71 P C -0.743 176.668 177.300 0.186 0.000 1.216 71 P CA -0.518 62.691 63.100 0.181 0.000 0.771 71 P CB 1.001 32.771 31.700 0.117 0.000 0.864 72 R N 2.682 123.247 120.500 0.109 0.000 2.234 72 R HA 0.379 4.720 4.340 0.002 0.000 0.324 72 R C -1.014 175.203 176.300 -0.139 0.000 1.054 72 R CA -0.491 55.503 56.100 -0.178 0.000 0.912 72 R CB 0.381 30.626 30.300 -0.092 0.000 1.030 72 R HN 0.261 nan 8.270 nan 0.000 0.455 73 V N 5.058 124.848 119.914 -0.206 0.000 2.417 73 V HA 0.387 4.508 4.120 0.002 0.000 0.291 73 V C -0.197 175.817 176.094 -0.134 0.000 1.024 73 V CA -0.715 61.535 62.300 -0.084 0.000 0.861 73 V CB 1.441 33.253 31.823 -0.019 0.000 0.985 73 V HN 0.746 nan 8.190 nan 0.000 0.436 74 K N 3.616 123.967 120.400 -0.083 0.000 2.316 74 K HA 0.433 4.754 4.320 0.002 0.000 0.251 74 K C -0.812 175.713 176.600 -0.125 0.000 0.934 74 K CA -0.720 55.443 56.287 -0.208 0.000 0.802 74 K CB 1.700 33.935 32.500 -0.442 0.000 1.171 74 K HN 0.728 nan 8.250 nan 0.000 0.426 75 N N 4.048 122.656 118.700 -0.154 0.000 2.469 75 N HA 0.102 4.843 4.740 0.002 0.000 0.253 75 N C -0.303 175.161 175.510 -0.077 0.000 0.970 75 N CA -0.370 52.694 53.050 0.023 0.000 0.940 75 N CB 0.479 38.999 38.487 0.055 0.000 1.128 75 N HN 0.670 nan 8.380 nan 0.000 0.503 76 W N 2.131 123.512 121.300 0.136 0.000 2.699 76 W HA 0.086 4.747 4.660 0.002 0.000 0.249 76 W C 2.041 178.610 176.519 0.083 0.000 1.280 76 W CA -0.036 57.380 57.345 0.118 0.000 1.345 76 W CB 0.226 29.782 29.460 0.160 0.000 1.128 76 W HN 0.670 nan 8.180 nan 0.000 0.642 77 E N 0.402 120.734 120.200 0.220 0.000 2.086 77 E HA -0.092 4.259 4.350 0.002 0.000 0.190 77 E C 1.682 178.302 176.600 0.033 0.000 0.975 77 E CA 0.967 57.402 56.400 0.058 0.000 0.813 77 E CB -0.187 29.506 29.700 -0.012 0.000 0.768 77 E HN 0.267 nan 8.360 nan 0.000 0.457 78 L N -0.906 120.334 121.223 0.029 0.000 2.590 78 L HA 0.353 4.694 4.340 0.002 0.000 0.227 78 L C 1.538 178.384 176.870 -0.041 0.000 1.099 78 L CA 0.386 55.224 54.840 -0.003 0.000 0.872 78 L CB 0.596 42.658 42.059 0.004 0.000 1.088 78 L HN 0.415 nan 8.230 nan 0.000 0.479 79 G N 0.684 109.431 108.800 -0.088 0.000 2.184 79 G HA2 -0.317 3.644 3.960 0.002 0.000 0.264 79 G HA3 -0.317 3.644 3.960 0.002 0.000 0.264 79 G C 0.427 175.226 174.900 -0.168 0.000 0.975 79 G CA 0.465 45.467 45.100 -0.163 0.000 0.642 79 G HN 0.469 nan 8.290 nan 0.000 0.536 80 S N -0.449 115.176 115.700 -0.125 0.000 2.585 80 S HA 0.738 5.209 4.470 0.002 0.000 0.273 80 S C 0.132 174.639 174.600 -0.155 0.000 1.339 80 S CA -0.330 57.804 58.200 -0.110 0.000 1.028 80 S CB 2.018 65.179 63.200 -0.065 0.000 0.906 80 S HN 0.622 nan 8.310 nan 0.000 0.528 81 I N 1.478 121.958 120.570 -0.149 0.000 2.647 81 I HA 0.536 4.707 4.170 0.002 0.000 0.295 81 I C -0.187 175.804 176.117 -0.211 0.000 1.078 81 I CA -0.520 60.650 61.300 -0.216 0.000 1.048 81 I CB 2.692 40.543 38.000 -0.249 0.000 1.239 81 I HN 0.979 nan 8.210 nan 0.000 0.421 82 T N 0.774 115.156 114.554 -0.286 0.000 2.883 82 T HA 0.611 4.962 4.350 0.002 0.000 0.301 82 T C -1.324 173.152 174.700 -0.374 0.000 1.158 82 T CA -0.804 61.169 62.100 -0.212 0.000 1.007 82 T CB 1.563 70.378 68.868 -0.087 0.000 1.186 82 T HN 0.281 nan 8.240 nan 0.000 0.499 83 Y N 0.524 120.817 120.300 -0.011 0.000 2.328 83 Y HA 0.432 4.983 4.550 0.002 0.000 0.336 83 Y C 0.161 176.060 175.900 -0.002 0.000 0.960 83 Y CA -0.918 57.185 58.100 0.005 0.000 1.134 83 Y CB 1.576 40.026 38.460 -0.016 0.000 1.166 83 Y HN 0.704 nan 8.280 nan 0.000 0.464 84 D N 2.434 122.931 120.400 0.161 0.000 2.365 84 D HA 0.052 4.693 4.640 0.002 0.000 0.237 84 D C 0.735 177.119 176.300 0.141 0.000 1.190 84 D CA 0.220 54.293 54.000 0.122 0.000 0.867 84 D CB 1.170 42.051 40.800 0.136 0.000 1.050 84 D HN 0.800 nan 8.370 nan 0.000 0.491 85 T N 1.039 115.610 114.554 0.027 0.000 3.022 85 T HA -0.048 4.303 4.350 0.002 0.000 0.250 85 T C 1.824 176.544 174.700 0.033 0.000 1.060 85 T CA -0.272 61.808 62.100 -0.033 0.000 1.013 85 T CB 0.131 68.762 68.868 -0.396 0.000 0.982 85 T HN 0.246 nan 8.240 nan 0.000 0.508 86 L N 2.544 123.765 121.223 -0.003 0.000 2.131 86 L HA 0.053 4.394 4.340 0.002 0.000 0.210 86 L C 2.604 179.367 176.870 -0.178 0.000 1.092 86 L CA 1.204 56.039 54.840 -0.008 0.000 0.759 86 L CB -0.972 41.146 42.059 0.098 0.000 0.903 86 L HN 0.669 nan 8.230 nan 0.000 0.435 87 C N -1.609 117.379 119.300 -0.519 0.000 2.409 87 C HA 0.070 4.531 4.460 0.002 0.000 0.288 87 C C 2.722 177.480 174.990 -0.385 0.000 1.395 87 C CA 0.159 58.547 59.018 -1.050 0.000 1.792 87 C CB -2.282 24.831 27.740 -1.044 0.000 1.847 87 C HN 0.567 nan 8.230 nan 0.000 0.534 88 A N 0.061 122.809 122.820 -0.120 0.000 2.119 88 A HA -0.039 4.282 4.320 0.002 0.000 0.217 88 A C 2.248 179.823 177.584 -0.015 0.000 1.153 88 A CA 1.133 53.155 52.037 -0.024 0.000 0.692 88 A CB -0.397 18.692 19.000 0.148 0.000 0.799 88 A HN 0.652 nan 8.150 nan 0.000 0.458 89 Q N 0.201 119.993 119.800 -0.014 0.000 2.472 89 Q HA 0.059 4.400 4.340 0.002 0.000 0.208 89 Q C 0.836 176.859 176.000 0.040 0.000 0.958 89 Q CA 0.356 56.175 55.803 0.026 0.000 0.932 89 Q CB -0.521 28.247 28.738 0.049 0.000 1.007 89 Q HN 0.496 nan 8.270 nan 0.000 0.508 90 S N 0.875 116.588 115.700 0.021 0.000 2.533 90 S HA 0.028 4.499 4.470 0.002 0.000 0.282 90 S C 0.838 175.463 174.600 0.042 0.000 1.304 90 S CA 0.000 58.241 58.200 0.067 0.000 1.063 90 S CB 0.527 63.780 63.200 0.089 0.000 0.881 90 S HN 0.108 nan 8.310 nan 0.000 0.493 91 Q N 1.885 121.715 119.800 0.050 0.000 2.245 91 Q HA 0.270 4.611 4.340 0.002 0.000 0.236 91 Q C -0.139 175.881 176.000 0.034 0.000 0.842 91 Q CA 0.181 56.006 55.803 0.037 0.000 0.945 91 Q CB 0.428 29.190 28.738 0.040 0.000 1.122 91 Q HN 0.628 nan 8.270 nan 0.000 0.506 92 Q N 1.168 120.993 119.800 0.041 0.000 2.245 92 Q HA 0.240 4.581 4.340 0.002 0.000 0.256 92 Q C -0.983 175.040 176.000 0.038 0.000 0.942 92 Q CA -0.202 55.621 55.803 0.034 0.000 0.896 92 Q CB 1.540 30.295 28.738 0.029 0.000 1.272 92 Q HN 0.049 nan 8.270 nan 0.000 0.442 93 D N 0.934 121.352 120.400 0.029 0.000 2.255 93 D HA 0.409 5.050 4.640 0.002 0.000 0.249 93 D C 0.240 176.559 176.300 0.032 0.000 1.078 93 D CA 0.037 54.055 54.000 0.030 0.000 0.896 93 D CB 1.358 42.170 40.800 0.021 0.000 1.194 93 D HN 0.634 nan 8.370 nan 0.000 0.429 94 G N 0.941 109.764 108.800 0.039 0.000 2.543 94 G HA2 0.346 4.307 3.960 0.002 0.000 0.267 94 G HA3 0.346 4.307 3.960 0.002 0.000 0.267 94 G C -1.557 173.362 174.900 0.031 0.000 1.406 94 G CA -0.590 44.532 45.100 0.038 0.000 1.048 94 G HN 0.379 nan 8.290 nan 0.000 0.548 95 P HA 0.202 nan 4.420 nan 0.000 0.257 95 P C 0.153 177.468 177.300 0.025 0.000 1.241 95 P CA -0.087 63.030 63.100 0.028 0.000 0.816 95 P CB 0.208 31.926 31.700 0.031 0.000 1.150 96 C N 0.811 120.128 119.300 0.028 0.000 2.443 96 C HA 0.659 5.120 4.460 0.002 0.000 0.369 96 C C 0.999 176.000 174.990 0.018 0.000 1.241 96 C CA 0.164 59.197 59.018 0.024 0.000 2.413 96 C CB 1.040 28.797 27.740 0.030 0.000 2.451 96 C HN 0.382 nan 8.230 nan 0.000 0.595 97 T N -1.809 112.753 114.554 0.013 0.000 2.816 97 T HA 0.419 4.770 4.350 0.002 0.000 0.299 97 T C -2.555 172.148 174.700 0.006 0.000 1.230 97 T CA -1.000 61.105 62.100 0.008 0.000 1.007 97 T CB 1.192 70.064 68.868 0.006 0.000 1.289 97 T HN 0.260 nan 8.240 nan 0.000 0.508 98 P HA 0.053 nan 4.420 nan 0.000 0.220 98 P C 1.491 178.792 177.300 0.000 0.000 1.148 98 P CA 0.538 63.638 63.100 0.001 0.000 0.803 98 P CB 0.127 31.826 31.700 -0.002 0.000 0.782 99 R N 0.030 120.531 120.500 0.001 0.000 2.090 99 R HA -0.053 4.288 4.340 0.002 0.000 0.228 99 R C 0.502 176.802 176.300 0.001 0.000 1.110 99 R CA 0.936 57.036 56.100 0.000 0.000 0.973 99 R CB 0.171 30.471 30.300 0.001 0.000 0.869 99 R HN 0.079 nan 8.270 nan 0.000 0.440 100 R N -0.347 120.154 120.500 0.003 0.000 2.604 100 R HA 0.110 4.451 4.340 0.002 0.000 0.261 100 R C -1.811 174.494 176.300 0.007 0.000 1.080 100 R CA -0.704 55.398 56.100 0.003 0.000 0.917 100 R CB -0.046 30.256 30.300 0.003 0.000 1.252 100 R HN 0.080 nan 8.270 nan 0.000 0.456 101 C N 3.474 122.777 119.300 0.006 0.000 2.415 101 C HA 0.554 5.015 4.460 0.002 0.000 0.369 101 C C 0.355 175.356 174.990 0.017 0.000 1.279 101 C CA -0.491 58.534 59.018 0.011 0.000 1.886 101 C CB -0.544 27.199 27.740 0.004 0.000 2.468 101 C HN 0.663 nan 8.230 nan 0.000 0.553 102 L N 5.934 127.172 121.223 0.026 0.000 3.168 102 L HA 0.351 4.692 4.340 0.002 0.000 0.277 102 L C 2.045 178.943 176.870 0.047 0.000 1.245 102 L CA 0.693 55.552 54.840 0.033 0.000 1.035 102 L CB -0.124 41.953 42.059 0.029 0.000 1.399 102 L HN 1.035 nan 8.230 nan 0.000 0.580 103 G N -0.645 108.185 108.800 0.050 0.000 2.564 103 G HA2 -0.233 3.728 3.960 0.002 0.000 0.216 103 G HA3 -0.233 3.728 3.960 0.002 0.000 0.216 103 G C 1.391 176.352 174.900 0.102 0.000 1.124 103 G CA 1.126 46.267 45.100 0.068 0.000 0.764 103 G HN 0.508 nan 8.290 nan 0.000 0.550 104 S N -0.486 115.274 115.700 0.100 0.000 2.540 104 S HA 0.352 4.823 4.470 0.002 0.000 0.218 104 S C 0.811 175.502 174.600 0.153 0.000 0.977 104 S CA -0.603 57.682 58.200 0.142 0.000 0.918 104 S CB -0.037 63.230 63.200 0.111 0.000 0.806 104 S HN 0.121 nan 8.310 nan 0.000 0.496 105 L N 2.072 123.364 121.223 0.115 0.000 2.380 105 L HA 0.263 4.604 4.340 0.002 0.000 0.273 105 L C 1.477 178.433 176.870 0.143 0.000 1.138 105 L CA -0.499 54.405 54.840 0.106 0.000 0.832 105 L CB 0.890 42.988 42.059 0.065 0.000 1.124 105 L HN 0.030 nan 8.230 nan 0.000 0.454 106 V N 3.910 123.920 119.914 0.160 0.000 2.379 106 V HA -0.101 4.020 4.120 0.002 0.000 0.245 106 V C 0.820 176.956 176.094 0.070 0.000 1.044 106 V CA 1.267 63.691 62.300 0.205 0.000 1.036 106 V CB -0.260 31.693 31.823 0.216 0.000 0.664 106 V HN 0.513 nan 8.190 nan 0.000 0.453 107 L N -0.620 120.605 121.223 0.003 0.000 2.341 107 L HA 0.529 4.870 4.340 0.002 0.000 0.267 107 L C -2.512 174.368 176.870 0.016 0.000 1.009 107 L CA -1.865 52.949 54.840 -0.044 0.000 0.819 107 L CB 1.251 43.223 42.059 -0.144 0.000 1.323 107 L HN -0.005 nan 8.230 nan 0.000 0.425 108 P HA 0.282 nan 4.420 nan 0.000 0.277 108 P C -0.049 177.259 177.300 0.013 0.000 1.271 108 P CA -0.695 62.427 63.100 0.036 0.000 0.795 108 P CB 0.863 32.594 31.700 0.052 0.000 1.101 109 R N 0.725 121.231 120.500 0.010 0.000 2.119 109 R HA 0.074 4.415 4.340 0.002 0.000 0.222 109 R C 0.609 176.907 176.300 -0.004 0.000 1.088 109 R CA 1.742 57.842 56.100 0.000 0.000 0.984 109 R CB 0.124 30.425 30.300 0.002 0.000 0.884 109 R HN 0.358 nan 8.270 nan 0.000 0.447 110 K N -1.454 118.948 120.400 0.003 0.000 2.612 110 K HA 0.115 4.436 4.320 0.002 0.000 0.177 110 K C 0.096 176.701 176.600 0.008 0.000 1.333 110 K CA -0.062 56.225 56.287 -0.000 0.000 1.120 110 K CB 0.534 33.031 32.500 -0.005 0.000 1.121 110 K HN -0.062 nan 8.250 nan 0.000 0.556 111 L N 2.095 123.330 121.223 0.019 0.000 2.549 111 L HA -0.088 4.253 4.340 0.002 0.000 0.229 111 L C 1.792 178.678 176.870 0.027 0.000 1.158 111 L CA 1.429 56.283 54.840 0.023 0.000 0.842 111 L CB -0.713 41.365 42.059 0.031 0.000 0.952 111 L HN 0.226 nan 8.230 nan 0.000 0.452 112 Q N 0.171 119.991 119.800 0.034 0.000 0.696 112 Q HA -0.191 4.150 4.340 0.002 0.000 0.867 112 Q C -0.008 176.005 176.000 0.021 0.000 0.880 112 Q CA 1.815 57.642 55.803 0.040 0.000 0.866 112 Q CB -0.718 28.031 28.738 0.019 0.000 0.913 112 Q HN 0.331 nan 8.270 nan 0.000 0.190 113 T N 0.699 115.256 114.554 0.006 0.000 3.505 113 T HA 0.182 4.533 4.350 0.002 0.000 0.308 113 T C -0.586 174.103 174.700 -0.018 0.000 0.767 113 T CA -0.513 61.583 62.100 -0.006 0.000 1.194 113 T CB 0.907 69.773 68.868 -0.004 0.000 0.997 113 T HN 0.194 nan 8.240 nan 0.000 0.504 114 R N 1.867 122.356 120.500 -0.019 0.000 2.919 114 R HA 0.149 4.490 4.340 0.002 0.000 0.271 114 R C -2.058 174.226 176.300 -0.026 0.000 0.995 114 R CA -0.913 55.173 56.100 -0.024 0.000 1.158 114 R CB -0.307 29.981 30.300 -0.019 0.000 1.071 114 R HN 0.313 nan 8.270 nan 0.000 0.476 115 P HA -0.071 nan 4.420 nan 0.000 0.271 115 P C -0.246 177.040 177.300 -0.023 0.000 1.228 115 P CA 0.417 63.502 63.100 -0.025 0.000 0.797 115 P CB 0.435 32.122 31.700 -0.022 0.000 0.914 116 S N 0.520 116.207 115.700 -0.021 0.000 2.474 116 S HA 0.285 4.756 4.470 0.002 0.000 0.224 116 S C -1.753 172.837 174.600 -0.015 0.000 1.209 116 S CA -1.127 57.059 58.200 -0.023 0.000 1.212 116 S CB -0.247 62.934 63.200 -0.033 0.000 1.137 116 S HN 0.290 nan 8.310 nan 0.000 0.446 117 P HA 0.256 nan 4.420 nan 0.000 0.230 117 P C 0.789 178.087 177.300 -0.004 0.000 1.168 117 P CA 0.414 63.510 63.100 -0.006 0.000 0.793 117 P CB 0.133 31.830 31.700 -0.004 0.000 0.851 118 G N 1.195 109.991 108.800 -0.006 0.000 2.498 118 G HA2 0.547 4.508 3.960 0.002 0.000 0.312 118 G HA3 0.547 4.508 3.960 0.002 0.000 0.312 118 G C -2.968 171.927 174.900 -0.007 0.000 1.230 118 G CA -1.733 43.364 45.100 -0.004 0.000 0.968 118 G HN -0.138 nan 8.290 nan 0.000 0.481 119 P HA 0.237 nan 4.420 nan 0.000 0.276 119 P C -2.385 174.913 177.300 -0.004 0.000 1.235 119 P CA -0.939 62.158 63.100 -0.004 0.000 0.772 119 P CB 0.984 32.687 31.700 0.005 0.000 0.871 120 P HA 0.224 nan 4.420 nan 0.000 0.271 120 P C -2.487 174.818 177.300 0.008 0.000 1.216 120 P CA -1.495 61.603 63.100 -0.004 0.000 0.776 120 P CB -0.940 30.753 31.700 -0.010 0.000 0.881 121 P HA -0.075 nan 4.420 nan 0.000 0.255 121 P C 1.046 178.357 177.300 0.017 0.000 1.161 121 P CA 0.471 63.578 63.100 0.011 0.000 0.768 121 P CB 0.034 31.740 31.700 0.009 0.000 0.746 122 A N 4.855 127.687 122.820 0.018 0.000 1.958 122 A HA -0.274 4.047 4.320 0.002 0.000 0.221 122 A C 2.038 179.633 177.584 0.017 0.000 1.178 122 A CA 1.580 53.630 52.037 0.021 0.000 0.642 122 A CB -0.620 18.390 19.000 0.018 0.000 0.816 122 A HN 0.506 nan 8.150 nan 0.000 0.453 123 E N -0.804 119.404 120.200 0.013 0.000 2.031 123 E HA -0.241 4.110 4.350 0.002 0.000 0.193 123 E C 2.227 178.836 176.600 0.015 0.000 0.994 123 E CA 1.628 58.035 56.400 0.011 0.000 0.800 123 E CB -0.411 29.295 29.700 0.009 0.000 0.752 123 E HN 0.874 nan 8.360 nan 0.000 0.447 124 Q N 0.380 120.191 119.800 0.018 0.000 2.046 124 Q HA -0.145 4.196 4.340 0.002 0.000 0.200 124 Q C 2.342 178.362 176.000 0.033 0.000 0.975 124 Q CA 1.003 56.819 55.803 0.023 0.000 0.836 124 Q CB -0.113 28.636 28.738 0.018 0.000 0.896 124 Q HN 0.144 nan 8.270 nan 0.000 0.428 125 L N 0.445 121.691 121.223 0.038 0.000 2.012 125 L HA -0.160 4.181 4.340 0.002 0.000 0.210 125 L C 2.105 179.013 176.870 0.063 0.000 1.073 125 L CA 1.578 56.457 54.840 0.065 0.000 0.748 125 L CB -0.829 41.276 42.059 0.076 0.000 0.891 125 L HN 0.402 nan 8.230 nan 0.000 0.431 126 L N -0.463 120.777 121.223 0.029 0.000 2.079 126 L HA -0.188 4.153 4.340 0.002 0.000 0.210 126 L C 2.736 179.609 176.870 0.004 0.000 1.081 126 L CA 2.119 56.953 54.840 -0.009 0.000 0.752 126 L CB -0.831 41.220 42.059 -0.014 0.000 0.896 126 L HN 0.644 nan 8.230 nan 0.000 0.433 127 S N -1.907 113.808 115.700 0.024 0.000 2.387 127 S HA -0.203 4.268 4.470 0.002 0.000 0.226 127 S C 1.866 176.504 174.600 0.064 0.000 1.026 127 S CA 0.958 59.179 58.200 0.035 0.000 0.972 127 S CB -0.538 62.680 63.200 0.031 0.000 0.814 127 S HN 0.634 nan 8.310 nan 0.000 0.477 128 Q N 1.130 120.976 119.800 0.076 0.000 2.123 128 Q HA 0.140 4.481 4.340 0.002 0.000 0.199 128 Q C 2.604 178.705 176.000 0.168 0.000 0.966 128 Q CA 1.251 57.121 55.803 0.111 0.000 0.845 128 Q CB -0.492 28.303 28.738 0.095 0.000 0.907 128 Q HN 0.750 nan 8.270 nan 0.000 0.439 129 A N 1.477 124.378 122.820 0.135 0.000 1.858 129 A HA -0.199 4.122 4.320 0.002 0.000 0.216 129 A C 2.016 179.674 177.584 0.124 0.000 1.190 129 A CA 1.339 53.447 52.037 0.119 0.000 0.617 129 A CB -0.430 18.431 19.000 -0.231 0.000 0.827 129 A HN 0.200 nan 8.150 nan 0.000 0.443 130 R N -0.487 120.044 120.500 0.053 0.000 2.091 130 R HA -0.183 4.158 4.340 0.002 0.000 0.238 130 R C 2.025 178.402 176.300 0.128 0.000 1.136 130 R CA 1.663 57.804 56.100 0.069 0.000 0.959 130 R CB -0.547 29.769 30.300 0.028 0.000 0.856 130 R HN 0.731 nan 8.270 nan 0.000 0.437 131 D N 0.224 120.706 120.400 0.138 0.000 2.123 131 D HA -0.220 4.421 4.640 0.002 0.000 0.196 131 D C 1.650 178.068 176.300 0.198 0.000 0.992 131 D CA 1.078 55.168 54.000 0.150 0.000 0.833 131 D CB -0.084 40.801 40.800 0.143 0.000 0.954 131 D HN 0.162 nan 8.370 nan 0.000 0.455 132 F N 0.800 120.838 119.950 0.145 0.000 2.113 132 F HA -0.069 4.459 4.527 0.002 0.000 0.297 132 F C 1.982 177.921 175.800 0.232 0.000 1.103 132 F CA 1.023 59.143 58.000 0.201 0.000 1.248 132 F CB -0.263 38.860 39.000 0.204 0.000 0.999 132 F HN -0.023 nan 8.300 nan 0.000 0.475 133 I N 1.013 121.615 120.570 0.053 0.000 2.264 133 I HA -0.319 3.852 4.170 0.002 0.000 0.248 133 I C 2.019 178.171 176.117 0.058 0.000 1.111 133 I CA 1.206 62.538 61.300 0.052 0.000 1.382 133 I CB -1.666 36.474 38.000 0.233 0.000 1.060 133 I HN 0.263 nan 8.210 nan 0.000 0.418 134 N N 0.896 119.655 118.700 0.098 0.000 2.084 134 N HA -0.181 4.560 4.740 0.002 0.000 0.190 134 N C 1.841 177.290 175.510 -0.102 0.000 1.030 134 N CA 1.101 54.191 53.050 0.067 0.000 0.849 134 N CB -0.361 38.207 38.487 0.136 0.000 1.012 134 N HN 0.489 nan 8.380 nan 0.000 0.423 135 Q N -0.410 119.343 119.800 -0.078 0.000 2.077 135 Q HA -0.217 4.124 4.340 0.002 0.000 0.206 135 Q C 1.864 177.641 176.000 -0.373 0.000 0.989 135 Q CA 1.559 57.323 55.803 -0.065 0.000 0.853 135 Q CB -0.301 28.529 28.738 0.154 0.000 0.907 135 Q HN 0.469 nan 8.270 nan 0.000 0.418 136 Y N -0.096 119.727 120.300 -0.796 0.000 2.114 136 Y HA -0.283 4.268 4.550 0.002 0.000 0.284 136 Y C 1.728 177.084 175.900 -0.905 0.000 1.143 136 Y CA 1.644 58.982 58.100 -1.269 0.000 1.135 136 Y CB -0.535 37.263 38.460 -1.103 0.000 0.980 136 Y HN 0.086 nan 8.280 nan 0.000 0.499 137 Y N -0.780 119.068 120.300 -0.754 0.000 2.421 137 Y HA -0.168 4.383 4.550 0.002 0.000 0.292 137 Y C 2.977 178.518 175.900 -0.599 0.000 1.136 137 Y CA 1.504 59.151 58.100 -0.753 0.000 1.255 137 Y CB -0.446 37.530 38.460 -0.806 0.000 0.991 137 Y HN 0.223 nan 8.280 nan 0.000 0.552 138 S N -0.684 114.781 115.700 -0.392 0.000 2.387 138 S HA -0.169 4.302 4.470 0.002 0.000 0.226 138 S C 2.346 176.781 174.600 -0.276 0.000 1.026 138 S CA 1.234 59.284 58.200 -0.250 0.000 0.972 138 S CB -0.550 62.556 63.200 -0.156 0.000 0.814 138 S HN 0.571 nan 8.310 nan 0.000 0.477 139 S N 2.144 117.584 115.700 -0.433 0.000 2.399 139 S HA -0.053 4.418 4.470 0.002 0.000 0.231 139 S C 1.695 176.081 174.600 -0.356 0.000 1.022 139 S CA 1.097 59.081 58.200 -0.359 0.000 0.983 139 S CB -0.955 61.926 63.200 -0.532 0.000 0.803 139 S HN 0.801 nan 8.310 nan 0.000 0.480 140 I N -2.249 118.006 120.570 -0.525 0.000 3.861 140 I HA 0.418 4.589 4.170 0.002 0.000 0.329 140 I C 0.392 176.366 176.117 -0.238 0.000 1.321 140 I CA -0.446 60.618 61.300 -0.393 0.000 1.126 140 I CB -0.512 37.161 38.000 -0.544 0.000 1.018 140 I HN 0.060 nan 8.210 nan 0.000 0.407 141 K N 0.558 120.835 120.400 -0.205 0.000 3.274 141 K HA -0.172 4.149 4.320 0.002 0.000 0.305 141 K C 0.517 177.068 176.600 -0.083 0.000 1.225 141 K CA 0.759 56.974 56.287 -0.120 0.000 0.904 141 K CB -1.131 31.318 32.500 -0.085 0.000 1.227 141 K HN 0.368 nan 8.250 nan 0.000 0.453 142 R N 0.865 121.317 120.500 -0.080 0.000 2.449 142 R HA 0.092 4.433 4.340 0.002 0.000 0.262 142 R C 0.163 176.472 176.300 0.015 0.000 1.006 142 R CA 0.022 56.127 56.100 0.008 0.000 1.104 142 R CB 0.408 30.772 30.300 0.107 0.000 1.206 142 R HN 0.105 nan 8.270 nan 0.000 0.538 143 S N 0.163 115.840 115.700 -0.038 0.000 2.589 143 S HA 0.233 4.704 4.470 0.002 0.000 0.306 143 S C 1.274 175.932 174.600 0.096 0.000 1.221 143 S CA 1.117 59.310 58.200 -0.013 0.000 1.159 143 S CB -0.125 63.054 63.200 -0.034 0.000 0.990 143 S HN 0.736 nan 8.310 nan 0.000 0.514 144 G N 3.282 112.238 108.800 0.259 0.000 2.278 144 G HA2 -0.259 3.702 3.960 0.002 0.000 0.210 144 G HA3 -0.259 3.702 3.960 0.002 0.000 0.210 144 G C 0.328 175.234 174.900 0.010 0.000 1.000 144 G CA 0.093 45.250 45.100 0.095 0.000 0.635 144 G HN 1.421 nan 8.290 nan 0.000 0.495 145 S N 0.290 115.997 115.700 0.012 0.000 2.592 145 S HA 0.328 4.799 4.470 0.002 0.000 0.256 145 S C 1.304 175.865 174.600 -0.065 0.000 1.369 145 S CA 0.865 59.052 58.200 -0.022 0.000 0.984 145 S CB 0.903 64.102 63.200 -0.002 0.000 0.919 145 S HN 0.211 nan 8.310 nan 0.000 0.576 146 Q N 0.561 120.329 119.800 -0.052 0.000 2.119 146 Q HA -0.036 4.305 4.340 0.002 0.000 0.201 146 Q C 2.621 178.568 176.000 -0.088 0.000 0.972 146 Q CA 1.811 57.575 55.803 -0.064 0.000 0.847 146 Q CB -1.334 27.384 28.738 -0.033 0.000 0.903 146 Q HN 0.896 nan 8.270 nan 0.000 0.433 147 A N 0.068 122.847 122.820 -0.069 0.000 1.892 147 A HA -0.264 4.057 4.320 0.002 0.000 0.218 147 A C 2.010 179.387 177.584 -0.344 0.000 1.188 147 A CA 1.982 53.980 52.037 -0.065 0.000 0.631 147 A CB -1.093 17.971 19.000 0.107 0.000 0.822 147 A HN 0.621 nan 8.150 nan 0.000 0.447 148 H N -1.252 117.323 119.070 -0.823 0.000 2.290 148 H HA -0.144 4.413 4.556 0.002 0.000 0.298 148 H C 2.119 177.144 175.328 -0.504 0.000 1.087 148 H CA 1.348 56.685 56.048 -1.186 0.000 1.291 148 H CB 0.085 29.371 29.762 -0.795 0.000 1.369 148 H HN 0.384 nan 8.280 nan 0.000 0.492 149 E N 0.683 120.681 120.200 -0.337 0.000 2.110 149 E HA -0.147 4.204 4.350 0.002 0.000 0.193 149 E C 2.088 178.589 176.600 -0.164 0.000 0.988 149 E CA 1.083 57.311 56.400 -0.286 0.000 0.804 149 E CB -0.066 29.507 29.700 -0.211 0.000 0.745 149 E HN 0.678 nan 8.360 nan 0.000 0.458 150 E N -0.059 120.071 120.200 -0.116 0.000 2.208 150 E HA -0.145 4.206 4.350 0.002 0.000 0.193 150 E C 2.095 178.686 176.600 -0.015 0.000 0.988 150 E CA 0.495 56.864 56.400 -0.051 0.000 0.828 150 E CB 0.014 29.700 29.700 -0.024 0.000 0.763 150 E HN -0.079 nan 8.360 nan 0.000 0.478 151 R N 1.198 121.694 120.500 -0.006 0.000 2.115 151 R HA -0.044 4.297 4.340 0.002 0.000 0.226 151 R C 1.964 178.296 176.300 0.052 0.000 1.100 151 R CA 0.965 57.119 56.100 0.090 0.000 0.980 151 R CB -0.345 30.106 30.300 0.251 0.000 0.875 151 R HN 0.144 nan 8.270 nan 0.000 0.445 152 L N -0.176 121.043 121.223 -0.007 0.000 2.056 152 L HA -0.136 4.205 4.340 0.002 0.000 0.207 152 L C 2.428 179.271 176.870 -0.045 0.000 1.078 152 L CA 1.346 56.164 54.840 -0.037 0.000 0.749 152 L CB -0.450 41.548 42.059 -0.101 0.000 0.901 152 L HN 0.217 nan 8.230 nan 0.000 0.433 153 Q N 0.320 120.094 119.800 -0.044 0.000 2.030 153 Q HA -0.238 4.103 4.340 0.002 0.000 0.204 153 Q C 2.101 178.094 176.000 -0.011 0.000 0.986 153 Q CA 1.875 57.660 55.803 -0.031 0.000 0.843 153 Q CB -0.069 28.653 28.738 -0.027 0.000 0.904 153 Q HN 0.408 nan 8.270 nan 0.000 0.420 154 E N -0.871 119.334 120.200 0.010 0.000 2.049 154 E HA -0.216 4.135 4.350 0.002 0.000 0.198 154 E C 1.987 178.603 176.600 0.027 0.000 1.007 154 E CA 1.696 58.117 56.400 0.035 0.000 0.809 154 E CB -0.173 29.567 29.700 0.066 0.000 0.749 154 E HN 0.183 nan 8.360 nan 0.000 0.450 155 V N 1.792 121.695 119.914 -0.018 0.000 2.343 155 V HA -0.253 3.868 4.120 0.002 0.000 0.247 155 V C 2.144 178.174 176.094 -0.108 0.000 1.051 155 V CA 1.885 64.106 62.300 -0.132 0.000 1.036 155 V CB -0.552 31.081 31.823 -0.316 0.000 0.654 155 V HN 0.251 nan 8.190 nan 0.000 0.451 156 E N 0.593 120.749 120.200 -0.072 0.000 2.051 156 E HA -0.223 4.128 4.350 0.002 0.000 0.192 156 E C 2.380 178.973 176.600 -0.012 0.000 0.991 156 E CA 1.429 57.801 56.400 -0.047 0.000 0.799 156 E CB -0.378 29.299 29.700 -0.038 0.000 0.748 156 E HN 0.592 nan 8.360 nan 0.000 0.449 157 A N 1.514 124.335 122.820 0.001 0.000 1.908 157 A HA -0.259 4.062 4.320 0.002 0.000 0.218 157 A C 2.054 179.663 177.584 0.041 0.000 1.181 157 A CA 1.720 53.769 52.037 0.020 0.000 0.627 157 A CB -0.463 18.551 19.000 0.023 0.000 0.818 157 A HN 0.235 nan 8.150 nan 0.000 0.445 158 E N -0.500 119.736 120.200 0.061 0.000 2.072 158 E HA -0.097 4.254 4.350 0.002 0.000 0.191 158 E C 1.939 178.601 176.600 0.103 0.000 0.985 158 E CA 1.167 57.630 56.400 0.106 0.000 0.801 158 E CB -0.061 29.745 29.700 0.177 0.000 0.750 158 E HN 0.350 nan 8.360 nan 0.000 0.452 159 V N 1.165 121.128 119.914 0.081 0.000 2.295 159 V HA -0.269 3.852 4.120 0.002 0.000 0.246 159 V C 2.419 178.544 176.094 0.050 0.000 1.049 159 V CA 1.800 64.146 62.300 0.076 0.000 1.024 159 V CB -0.808 31.040 31.823 0.041 0.000 0.648 159 V HN 0.401 nan 8.190 nan 0.000 0.447 160 A N -0.351 122.489 122.820 0.033 0.000 1.917 160 A HA -0.247 4.074 4.320 0.002 0.000 0.219 160 A C 2.450 180.052 177.584 0.030 0.000 1.182 160 A CA 2.677 54.729 52.037 0.025 0.000 0.633 160 A CB -0.601 18.409 19.000 0.016 0.000 0.819 160 A HN 0.542 nan 8.150 nan 0.000 0.448 161 S N -1.372 114.351 115.700 0.039 0.000 2.387 161 S HA -0.049 4.422 4.470 0.002 0.000 0.221 161 S C 2.068 176.696 174.600 0.047 0.000 1.041 161 S CA 1.500 59.724 58.200 0.040 0.000 0.959 161 S CB -0.233 62.992 63.200 0.042 0.000 0.843 161 S HN 0.882 nan 8.310 nan 0.000 0.488 162 T N -1.918 112.673 114.554 0.062 0.000 3.022 162 T HA 0.420 4.771 4.350 0.002 0.000 0.250 162 T C 1.497 176.231 174.700 0.057 0.000 1.060 162 T CA 0.881 63.021 62.100 0.066 0.000 1.013 162 T CB 0.290 69.215 68.868 0.096 0.000 0.982 162 T HN 0.560 nan 8.240 nan 0.000 0.508 163 G N 0.149 108.982 108.800 0.056 0.000 2.159 163 G HA2 -0.181 3.780 3.960 0.002 0.000 0.256 163 G HA3 -0.181 3.780 3.960 0.002 0.000 0.256 163 G C 0.179 175.109 174.900 0.051 0.000 0.977 163 G CA 0.527 45.654 45.100 0.045 0.000 0.652 163 G HN 1.007 nan 8.290 nan 0.000 0.531 164 T N -1.613 112.986 114.554 0.075 0.000 2.653 164 T HA 0.694 5.045 4.350 0.002 0.000 0.306 164 T C -1.279 173.519 174.700 0.164 0.000 1.426 164 T CA 0.438 62.577 62.100 0.065 0.000 1.008 164 T CB 1.327 70.153 68.868 -0.071 0.000 1.692 164 T HN 1.604 nan 8.240 nan 0.000 0.483 165 Y N -0.850 119.364 120.300 -0.143 0.000 2.764 165 Y HA 0.831 5.382 4.550 0.002 0.000 0.331 165 Y C -1.607 174.096 175.900 -0.328 0.000 1.280 165 Y CA -1.164 56.891 58.100 -0.075 0.000 1.065 165 Y CB 0.804 39.273 38.460 0.016 0.000 1.319 165 Y HN 0.790 nan 8.280 nan 0.000 0.453 166 H N 0.337 119.423 119.070 0.027 0.000 2.797 166 H HA 0.710 5.267 4.556 0.002 0.000 0.372 166 H C -1.159 174.217 175.328 0.081 0.000 1.168 166 H CA -0.849 55.159 56.048 -0.067 0.000 1.163 166 H CB 2.054 31.826 29.762 0.015 0.000 1.778 166 H HN 0.708 nan 8.280 nan 0.000 0.551 167 L N 1.732 123.040 121.223 0.141 0.000 2.360 167 L HA 0.521 4.862 4.340 0.002 0.000 0.271 167 L C 0.227 177.169 176.870 0.119 0.000 1.057 167 L CA -1.129 53.808 54.840 0.163 0.000 0.803 167 L CB 0.807 42.927 42.059 0.101 0.000 1.207 167 L HN 0.363 nan 8.230 nan 0.000 0.445 168 R N 1.031 121.579 120.500 0.080 0.000 2.500 168 R HA 0.099 4.440 4.340 0.002 0.000 0.275 168 R C 0.823 177.114 176.300 -0.014 0.000 1.051 168 R CA -0.359 55.758 56.100 0.029 0.000 1.088 168 R CB 0.827 31.128 30.300 0.002 0.000 1.063 168 R HN 0.670 nan 8.270 nan 0.000 0.511 169 E N 1.120 121.312 120.200 -0.013 0.000 2.097 169 E HA -0.250 4.101 4.350 0.002 0.000 0.196 169 E C 1.439 178.019 176.600 -0.033 0.000 1.000 169 E CA 2.264 58.647 56.400 -0.029 0.000 0.804 169 E CB 0.209 29.899 29.700 -0.018 0.000 0.740 169 E HN 0.680 nan 8.360 nan 0.000 0.454 170 S N 0.156 115.834 115.700 -0.037 0.000 2.368 170 S HA -0.208 4.263 4.470 0.002 0.000 0.225 170 S C 1.774 176.324 174.600 -0.084 0.000 1.030 170 S CA 1.379 59.570 58.200 -0.016 0.000 0.999 170 S CB -0.350 62.865 63.200 0.024 0.000 0.844 170 S HN 0.329 nan 8.310 nan 0.000 0.459 171 E N 1.039 121.057 120.200 -0.303 0.000 2.072 171 E HA -0.046 4.305 4.350 0.002 0.000 0.191 171 E C 2.076 178.774 176.600 0.163 0.000 0.985 171 E CA 1.122 57.342 56.400 -0.300 0.000 0.801 171 E CB -0.358 29.207 29.700 -0.225 0.000 0.750 171 E HN 0.469 nan 8.360 nan 0.000 0.452 172 L N 0.757 121.997 121.223 0.028 0.000 2.083 172 L HA -0.157 4.184 4.340 0.002 0.000 0.209 172 L C 2.161 179.012 176.870 -0.032 0.000 1.083 172 L CA 1.236 56.039 54.840 -0.062 0.000 0.752 172 L CB -0.095 41.867 42.059 -0.162 0.000 0.899 172 L HN -0.052 nan 8.230 nan 0.000 0.433 173 V N -0.575 119.354 119.914 0.026 0.000 2.358 173 V HA -0.284 3.837 4.120 0.002 0.000 0.246 173 V C 2.273 178.461 176.094 0.156 0.000 1.047 173 V CA 2.027 64.356 62.300 0.049 0.000 1.035 173 V CB -0.874 30.980 31.823 0.051 0.000 0.658 173 V HN 0.589 nan 8.190 nan 0.000 0.452 174 F N 2.105 122.134 119.950 0.131 0.000 2.146 174 F HA 0.010 4.538 4.527 0.002 0.000 0.298 174 F C 2.140 178.088 175.800 0.247 0.000 1.096 174 F CA 1.620 59.756 58.000 0.227 0.000 1.275 174 F CB -0.835 38.375 39.000 0.350 0.000 1.008 174 F HN 0.119 nan 8.300 nan 0.000 0.480 175 G N -0.058 108.845 108.800 0.173 0.000 2.418 175 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 175 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 175 G C 1.832 176.610 174.900 -0.203 0.000 1.158 175 G CA 0.835 45.914 45.100 -0.034 0.000 0.771 175 G HN 0.625 nan 8.290 nan 0.000 0.545 176 A N 0.929 123.659 122.820 -0.150 0.000 1.877 176 A HA -0.015 4.306 4.320 0.002 0.000 0.216 176 A C 2.305 179.896 177.584 0.011 0.000 1.186 176 A CA 2.004 53.960 52.037 -0.134 0.000 0.620 176 A CB -0.389 18.563 19.000 -0.081 0.000 0.822 176 A HN 0.372 nan 8.150 nan 0.000 0.443 177 K N -1.114 119.331 120.400 0.074 0.000 2.097 177 K HA -0.195 4.126 4.320 0.002 0.000 0.206 177 K C 2.345 179.028 176.600 0.137 0.000 1.049 177 K CA 1.627 58.063 56.287 0.249 0.000 0.933 177 K CB -0.115 32.564 32.500 0.299 0.000 0.717 177 K HN 0.448 nan 8.250 nan 0.000 0.442 178 Q N 0.538 120.236 119.800 -0.170 0.000 2.167 178 Q HA -0.031 4.310 4.340 0.002 0.000 0.202 178 Q C 1.823 177.693 176.000 -0.218 0.000 0.970 178 Q CA 1.531 57.131 55.803 -0.339 0.000 0.855 178 Q CB -0.133 28.258 28.738 -0.579 0.000 0.911 178 Q HN 0.328 nan 8.270 nan 0.000 0.438 179 A N -0.614 122.091 122.820 -0.193 0.000 1.933 179 A HA -0.178 4.143 4.320 0.002 0.000 0.218 179 A C 1.805 179.456 177.584 0.112 0.000 1.175 179 A CA 1.433 53.321 52.037 -0.249 0.000 0.628 179 A CB -1.128 17.399 19.000 -0.788 0.000 0.814 179 A HN 0.697 nan 8.150 nan 0.000 0.444 180 W N 0.967 122.316 121.300 0.083 0.000 2.379 180 W HA -0.097 4.564 4.660 0.002 0.000 0.307 180 W C 2.302 178.799 176.519 -0.036 0.000 1.200 180 W CA 1.450 58.862 57.345 0.110 0.000 1.297 180 W CB -0.670 28.842 29.460 0.088 0.000 1.140 180 W HN 0.357 nan 8.180 nan 0.000 0.507 181 R N 0.399 120.831 120.500 -0.114 0.000 2.127 181 R HA -0.174 4.167 4.340 0.002 0.000 0.238 181 R C 1.380 177.520 176.300 -0.265 0.000 1.134 181 R CA 1.762 57.577 56.100 -0.477 0.000 0.975 181 R CB -0.543 29.153 30.300 -1.006 0.000 0.865 181 R HN 0.123 nan 8.270 nan 0.000 0.447 182 N N 0.235 118.840 118.700 -0.158 0.000 2.398 182 N HA 0.028 4.769 4.740 0.002 0.000 0.188 182 N C -0.401 175.070 175.510 -0.065 0.000 1.122 182 N CA 0.504 53.483 53.050 -0.119 0.000 0.866 182 N CB 0.671 39.090 38.487 -0.113 0.000 0.970 182 N HN 0.141 nan 8.380 nan 0.000 0.462 183 A N 2.196 125.026 122.820 0.017 0.000 2.475 183 A HA 0.259 4.580 4.320 0.002 0.000 0.293 183 A C -1.246 176.326 177.584 -0.021 0.000 1.252 183 A CA -0.983 51.063 52.037 0.015 0.000 0.920 183 A CB 0.319 19.370 19.000 0.085 0.000 1.125 183 A HN -0.018 nan 8.150 nan 0.000 0.528 184 P HA -0.148 nan 4.420 nan 0.000 0.218 184 P C 1.097 178.354 177.300 -0.072 0.000 1.148 184 P CA 1.225 64.273 63.100 -0.086 0.000 0.822 184 P CB 0.147 31.761 31.700 -0.144 0.000 0.784 185 R N -2.248 118.175 120.500 -0.128 0.000 2.317 185 R HA 0.143 4.484 4.340 0.002 0.000 0.208 185 R C 0.247 176.558 176.300 0.019 0.000 0.914 185 R CA -0.133 55.912 56.100 -0.092 0.000 1.060 185 R CB -0.423 29.645 30.300 -0.386 0.000 1.015 185 R HN 0.180 nan 8.270 nan 0.000 0.498 186 C N 0.582 119.884 119.300 0.004 0.000 2.265 186 C HA 0.226 4.687 4.460 0.002 0.000 0.332 186 C C 1.811 176.772 174.990 -0.048 0.000 1.248 186 C CA -0.650 58.396 59.018 0.047 0.000 1.727 186 C CB 0.527 28.368 27.740 0.169 0.000 2.348 186 C HN 0.272 nan 8.230 nan 0.000 0.519 187 V N 5.944 125.779 119.914 -0.132 0.000 3.541 187 V HA 0.215 4.336 4.120 0.002 0.000 0.267 187 V C 1.749 177.854 176.094 0.020 0.000 1.213 187 V CA 1.988 64.100 62.300 -0.314 0.000 1.149 187 V CB -0.041 31.605 31.823 -0.294 0.000 0.822 187 V HN 1.069 nan 8.190 nan 0.000 0.462 188 G N -0.765 108.093 108.800 0.097 0.000 3.434 188 G HA2 0.060 4.021 3.960 0.002 0.000 0.258 188 G HA3 0.060 4.021 3.960 0.002 0.000 0.258 188 G C 1.193 176.152 174.900 0.098 0.000 1.128 188 G CA -0.363 44.818 45.100 0.134 0.000 0.792 188 G HN 0.404 nan 8.290 nan 0.000 0.539 189 R N -0.140 120.345 120.500 -0.026 0.000 2.397 189 R HA 0.077 4.418 4.340 0.002 0.000 0.213 189 R C 1.917 177.795 176.300 -0.704 0.000 1.102 189 R CA 0.250 56.050 56.100 -0.500 0.000 1.040 189 R CB -0.156 29.855 30.300 -0.483 0.000 0.844 189 R HN 0.452 nan 8.270 nan 0.000 0.478 190 I N 0.683 121.020 120.570 -0.389 0.000 2.830 190 I HA -0.211 3.960 4.170 0.002 0.000 0.263 190 I C 1.258 177.285 176.117 -0.150 0.000 1.230 190 I CA 1.115 62.319 61.300 -0.160 0.000 1.480 190 I CB 0.180 38.205 38.000 0.041 0.000 1.095 190 I HN 0.190 nan 8.210 nan 0.000 0.455 191 Q N 0.494 120.151 119.800 -0.237 0.000 2.360 191 Q HA -0.092 4.249 4.340 0.002 0.000 0.202 191 Q C 1.621 177.229 176.000 -0.654 0.000 0.915 191 Q CA 0.290 55.957 55.803 -0.227 0.000 0.943 191 Q CB -0.185 28.600 28.738 0.078 0.000 1.064 191 Q HN 0.775 nan 8.270 nan 0.000 0.511 192 W N 0.246 120.820 121.300 -1.211 0.000 2.303 192 W HA -0.168 4.493 4.660 0.002 0.000 0.287 192 W C 1.035 177.264 176.519 -0.485 0.000 1.213 192 W CA 1.262 57.771 57.345 -1.393 0.000 1.203 192 W CB -1.160 27.691 29.460 -1.014 0.000 1.136 192 W HN 0.083 nan 8.180 nan 0.000 0.547 193 G N 0.978 109.161 108.800 -1.028 0.000 2.813 193 G HA2 -0.108 3.853 3.960 0.002 0.000 0.209 193 G HA3 -0.108 3.853 3.960 0.002 0.000 0.209 193 G C 0.677 175.392 174.900 -0.308 0.000 1.150 193 G CA -0.211 44.372 45.100 -0.862 0.000 0.785 193 G HN 0.227 nan 8.290 nan 0.000 0.535 194 K N 0.396 120.709 120.400 -0.144 0.000 2.356 194 K HA 0.530 4.851 4.320 0.002 0.000 0.243 194 K C -1.638 175.080 176.600 0.196 0.000 1.072 194 K CA -0.658 55.647 56.287 0.030 0.000 1.014 194 K CB 0.373 32.912 32.500 0.065 0.000 1.523 194 K HN 0.069 nan 8.250 nan 0.000 0.455 195 L N 3.235 124.547 121.223 0.148 0.000 2.482 195 L HA 0.301 4.642 4.340 0.002 0.000 0.269 195 L C -1.320 175.541 176.870 -0.016 0.000 0.967 195 L CA -0.408 54.522 54.840 0.149 0.000 0.851 195 L CB 1.887 44.109 42.059 0.272 0.000 1.242 195 L HN 0.450 nan 8.230 nan 0.000 0.404 196 Q N 3.434 123.166 119.800 -0.113 0.000 2.296 196 Q HA 0.470 4.811 4.340 0.002 0.000 0.263 196 Q C -1.493 174.157 176.000 -0.583 0.000 1.026 196 Q CA 0.014 55.579 55.803 -0.398 0.000 0.912 196 Q CB 1.014 29.405 28.738 -0.579 0.000 1.198 196 Q HN 0.518 nan 8.270 nan 0.000 0.407 197 V N 6.404 126.016 119.914 -0.503 0.000 2.333 197 V HA 0.363 4.485 4.120 0.002 0.000 0.274 197 V C -0.639 175.176 176.094 -0.465 0.000 1.028 197 V CA -0.573 61.487 62.300 -0.399 0.000 0.851 197 V CB 0.107 31.811 31.823 -0.199 0.000 1.000 197 V HN 0.616 nan 8.190 nan 0.000 0.456 198 F N 2.718 122.558 119.950 -0.183 0.000 2.391 198 F HA 0.360 4.888 4.527 0.002 0.000 0.359 198 F C 0.589 176.243 175.800 -0.244 0.000 1.122 198 F CA -1.066 56.822 58.000 -0.187 0.000 1.120 198 F CB 0.847 39.750 39.000 -0.161 0.000 1.142 198 F HN 0.425 nan 8.300 nan 0.000 0.483 199 D N 3.201 123.585 120.400 -0.026 0.000 2.352 199 D HA 0.371 5.012 4.640 0.002 0.000 0.245 199 D C 0.141 176.289 176.300 -0.253 0.000 1.224 199 D CA 0.082 53.993 54.000 -0.149 0.000 0.879 199 D CB 1.116 41.867 40.800 -0.081 0.000 1.057 199 D HN 0.616 nan 8.370 nan 0.000 0.491 200 A N 4.598 127.079 122.820 -0.565 0.000 2.637 200 A HA 0.160 4.481 4.320 0.002 0.000 0.293 200 A C 1.583 178.834 177.584 -0.556 0.000 1.216 200 A CA -0.393 51.014 52.037 -1.049 0.000 0.956 200 A CB 0.047 17.853 19.000 -1.989 0.000 1.174 200 A HN 0.550 nan 8.150 nan 0.000 0.525 201 R N 1.094 121.424 120.500 -0.284 0.000 2.280 201 R HA -0.052 4.289 4.340 0.002 0.000 0.207 201 R C -0.070 176.185 176.300 -0.074 0.000 1.043 201 R CA 1.152 57.169 56.100 -0.137 0.000 1.006 201 R CB 0.015 30.292 30.300 -0.039 0.000 0.885 201 R HN 0.663 nan 8.270 nan 0.000 0.467 202 D N -0.053 120.326 120.400 -0.036 0.000 3.168 202 D HA 0.015 4.656 4.640 0.002 0.000 0.255 202 D C -0.633 175.742 176.300 0.125 0.000 1.314 202 D CA -0.236 53.796 54.000 0.053 0.000 0.900 202 D CB -0.086 40.764 40.800 0.085 0.000 1.072 202 D HN -0.020 nan 8.370 nan 0.000 0.487 203 C N 1.110 120.452 119.300 0.069 0.000 2.417 203 C HA 0.566 5.027 4.460 0.002 0.000 0.324 203 C C 1.097 176.204 174.990 0.195 0.000 1.240 203 C CA -0.227 58.895 59.018 0.172 0.000 1.632 203 C CB 1.068 28.905 27.740 0.161 0.000 2.241 203 C HN 0.494 nan 8.230 nan 0.000 0.499 204 S N 2.078 117.947 115.700 0.281 0.000 2.847 204 S HA 0.348 4.819 4.470 0.002 0.000 0.254 204 S C -0.086 174.689 174.600 0.290 0.000 1.039 204 S CA 0.162 58.560 58.200 0.330 0.000 1.113 204 S CB -0.277 63.047 63.200 0.207 0.000 1.092 204 S HN 1.306 nan 8.310 nan 0.000 0.620 205 S N -0.384 115.489 115.700 0.289 0.000 2.570 205 S HA 0.824 5.295 4.470 0.002 0.000 0.270 205 S C 0.836 175.539 174.600 0.172 0.000 1.149 205 S CA -0.353 57.960 58.200 0.189 0.000 0.837 205 S CB 1.020 64.306 63.200 0.144 0.000 1.124 205 S HN 0.488 nan 8.310 nan 0.000 0.465 206 A N 0.958 123.851 122.820 0.121 0.000 1.902 206 A HA -0.087 4.234 4.320 0.002 0.000 0.217 206 A C 2.101 179.667 177.584 -0.031 0.000 1.181 206 A CA 1.641 53.727 52.037 0.082 0.000 0.623 206 A CB -0.987 18.133 19.000 0.201 0.000 0.818 206 A HN 0.759 nan 8.150 nan 0.000 0.443 207 Q N -0.065 119.800 119.800 0.109 0.000 2.096 207 Q HA -0.201 4.140 4.340 0.002 0.000 0.204 207 Q C 1.882 177.898 176.000 0.027 0.000 0.982 207 Q CA 2.000 57.838 55.803 0.059 0.000 0.850 207 Q CB -0.317 28.539 28.738 0.196 0.000 0.901 207 Q HN 0.814 nan 8.270 nan 0.000 0.422 208 E N -0.648 119.611 120.200 0.098 0.000 2.106 208 E HA -0.123 4.228 4.350 0.002 0.000 0.192 208 E C 2.123 178.881 176.600 0.262 0.000 0.984 208 E CA 0.803 57.299 56.400 0.159 0.000 0.806 208 E CB -0.041 29.801 29.700 0.237 0.000 0.750 208 E HN 0.369 nan 8.360 nan 0.000 0.458 209 M N -0.135 119.562 119.600 0.162 0.000 2.117 209 M HA -0.166 4.315 4.480 0.002 0.000 0.262 209 M C 2.150 178.519 176.300 0.114 0.000 1.065 209 M CA 1.438 56.784 55.300 0.076 0.000 1.114 209 M CB -0.334 32.048 32.600 -0.363 0.000 1.361 209 M HN 0.145 nan 8.290 nan 0.000 0.408 210 F N 0.862 120.626 119.950 -0.310 0.000 2.095 210 F HA -0.269 4.259 4.527 0.002 0.000 0.298 210 F C 2.284 177.990 175.800 -0.158 0.000 1.104 210 F CA 1.706 59.466 58.000 -0.401 0.000 1.232 210 F CB -0.120 38.334 39.000 -0.909 0.000 0.987 210 F HN 0.057 nan 8.300 nan 0.000 0.475 211 T N -0.399 114.039 114.554 -0.192 0.000 2.708 211 T HA -0.246 4.105 4.350 0.002 0.000 0.266 211 T C 1.532 176.094 174.700 -0.229 0.000 1.037 211 T CA 1.894 63.822 62.100 -0.288 0.000 1.146 211 T CB -0.769 67.968 68.868 -0.218 0.000 0.865 211 T HN 0.351 nan 8.240 nan 0.000 0.435 212 Y N 0.858 121.114 120.300 -0.074 0.000 2.165 212 Y HA -0.070 4.481 4.550 0.002 0.000 0.286 212 Y C 2.330 178.183 175.900 -0.079 0.000 1.155 212 Y CA 0.909 58.967 58.100 -0.069 0.000 1.164 212 Y CB -0.364 38.139 38.460 0.071 0.000 0.978 212 Y HN 0.154 nan 8.280 nan 0.000 0.513 213 I N -1.289 119.386 120.570 0.174 0.000 2.208 213 I HA -0.384 3.787 4.170 0.002 0.000 0.245 213 I C 2.217 178.295 176.117 -0.065 0.000 1.097 213 I CA 1.104 62.446 61.300 0.071 0.000 1.363 213 I CB -0.419 37.623 38.000 0.070 0.000 1.051 213 I HN 0.347 nan 8.210 nan 0.000 0.413 214 C N 0.679 119.830 119.300 -0.249 0.000 2.435 214 C HA -0.106 4.355 4.460 0.002 0.000 0.279 214 C C 2.541 177.439 174.990 -0.153 0.000 1.321 214 C CA 0.619 59.477 59.018 -0.266 0.000 1.752 214 C CB -1.438 26.021 27.740 -0.469 0.000 1.959 214 C HN 0.556 nan 8.230 nan 0.000 0.500 215 N N 0.178 118.769 118.700 -0.181 0.000 2.142 215 N HA -0.135 4.606 4.740 0.002 0.000 0.186 215 N C 1.442 176.846 175.510 -0.176 0.000 1.023 215 N CA 1.411 54.334 53.050 -0.212 0.000 0.852 215 N CB -0.800 37.481 38.487 -0.344 0.000 0.998 215 N HN 0.749 nan 8.380 nan 0.000 0.424 216 H N 0.812 119.735 119.070 -0.246 0.000 2.321 216 H HA 0.056 4.613 4.556 0.002 0.000 0.300 216 H C 2.149 177.538 175.328 0.102 0.000 1.087 216 H CA 1.560 57.569 56.048 -0.064 0.000 1.319 216 H CB -0.065 29.716 29.762 0.032 0.000 1.379 216 H HN 0.069 nan 8.280 nan 0.000 0.501 217 I N 0.522 121.261 120.570 0.281 0.000 2.163 217 I HA -0.282 3.889 4.170 0.002 0.000 0.243 217 I C 2.651 178.849 176.117 0.135 0.000 1.085 217 I CA 1.674 63.092 61.300 0.196 0.000 1.347 217 I CB -0.329 37.708 38.000 0.062 0.000 1.044 217 I HN 0.320 nan 8.210 nan 0.000 0.408 218 K N 0.243 120.689 120.400 0.077 0.000 2.097 218 K HA -0.259 4.062 4.320 0.002 0.000 0.206 218 K C 2.348 179.001 176.600 0.088 0.000 1.049 218 K CA 1.629 57.948 56.287 0.053 0.000 0.933 218 K CB -0.234 32.274 32.500 0.013 0.000 0.717 218 K HN 0.263 nan 8.250 nan 0.000 0.442 219 Y N 0.461 120.778 120.300 0.028 0.000 2.184 219 Y HA -0.097 4.454 4.550 0.002 0.000 0.290 219 Y C 1.964 177.919 175.900 0.092 0.000 1.129 219 Y CA 1.528 59.675 58.100 0.078 0.000 1.144 219 Y CB -0.358 38.210 38.460 0.180 0.000 0.995 219 Y HN 0.118 nan 8.280 nan 0.000 0.513 220 A N -0.517 122.439 122.820 0.228 0.000 1.902 220 A HA -0.153 4.168 4.320 0.002 0.000 0.217 220 A C 2.187 179.814 177.584 0.070 0.000 1.181 220 A CA 2.231 54.360 52.037 0.153 0.000 0.623 220 A CB -1.316 17.834 19.000 0.250 0.000 0.818 220 A HN 0.514 nan 8.150 nan 0.000 0.443 221 T N -0.444 114.157 114.554 0.078 0.000 2.708 221 T HA -0.128 4.223 4.350 0.002 0.000 0.266 221 T C 1.025 175.725 174.700 0.000 0.000 1.037 221 T CA 1.094 63.231 62.100 0.061 0.000 1.146 221 T CB -0.545 68.360 68.868 0.062 0.000 0.865 221 T HN 0.740 nan 8.240 nan 0.000 0.435 222 N N 0.708 119.378 118.700 -0.049 0.000 2.714 222 N HA -0.278 4.463 4.740 0.002 0.000 0.252 222 N C -0.436 175.043 175.510 -0.052 0.000 1.014 222 N CA 0.206 53.203 53.050 -0.088 0.000 0.735 222 N CB -0.515 37.879 38.487 -0.155 0.000 0.924 222 N HN 0.416 nan 8.380 nan 0.000 0.540 223 R N -2.514 117.968 120.500 -0.030 0.000 3.863 223 R HA -0.258 4.083 4.340 0.002 0.000 0.313 223 R C 1.203 177.485 176.300 -0.030 0.000 1.202 223 R CA 1.199 57.283 56.100 -0.027 0.000 0.852 223 R CB -2.014 28.267 30.300 -0.032 0.000 1.292 223 R HN 0.823 nan 8.270 nan 0.000 0.519 224 G N -0.255 108.533 108.800 -0.020 0.000 2.316 224 G HA2 -0.305 3.656 3.960 0.002 0.000 0.203 224 G HA3 -0.305 3.656 3.960 0.002 0.000 0.203 224 G C -0.053 174.834 174.900 -0.023 0.000 0.999 224 G CA 0.025 45.114 45.100 -0.019 0.000 0.649 224 G HN 0.422 nan 8.290 nan 0.000 0.489 225 N N 1.398 120.072 118.700 -0.044 0.000 3.298 225 N HA 0.416 5.157 4.740 0.002 0.000 0.292 225 N C 0.206 175.684 175.510 -0.053 0.000 1.271 225 N CA -0.667 52.340 53.050 -0.072 0.000 1.184 225 N CB -0.141 38.298 38.487 -0.080 0.000 1.452 225 N HN 0.152 nan 8.380 nan 0.000 0.534 226 L N 2.095 123.320 121.223 0.002 0.000 2.593 226 L HA -0.044 4.297 4.340 0.002 0.000 0.287 226 L C 0.678 177.663 176.870 0.192 0.000 1.243 226 L CA 1.230 56.145 54.840 0.125 0.000 0.890 226 L CB 0.050 42.277 42.059 0.280 0.000 1.134 226 L HN 0.356 nan 8.230 nan 0.000 0.502 227 R N 1.491 122.109 120.500 0.196 0.000 2.561 227 R HA 0.439 4.780 4.340 0.002 0.000 0.297 227 R C -0.586 175.873 176.300 0.266 0.000 0.969 227 R CA -0.691 55.548 56.100 0.232 0.000 0.879 227 R CB 1.724 32.021 30.300 -0.004 0.000 1.178 227 R HN 0.582 nan 8.270 nan 0.000 0.445 228 S N 1.504 117.364 115.700 0.267 0.000 2.549 228 S HA 0.456 4.927 4.470 0.002 0.000 0.283 228 S C -0.250 174.391 174.600 0.069 0.000 1.320 228 S CA -0.181 58.064 58.200 0.075 0.000 1.058 228 S CB 1.174 64.362 63.200 -0.020 0.000 0.882 228 S HN 0.698 nan 8.310 nan 0.000 0.498 229 A N 2.726 125.545 122.820 -0.002 0.000 2.610 229 A HA 0.843 5.164 4.320 0.002 0.000 0.291 229 A C -1.301 176.309 177.584 0.043 0.000 1.086 229 A CA -0.668 51.306 52.037 -0.107 0.000 0.677 229 A CB 1.219 20.076 19.000 -0.239 0.000 1.278 229 A HN 0.796 nan 8.150 nan 0.000 0.414 230 I N 0.270 120.861 120.570 0.035 0.000 2.752 230 I HA 0.602 4.773 4.170 0.002 0.000 0.295 230 I C -1.255 174.994 176.117 0.220 0.000 1.219 230 I CA -0.116 61.347 61.300 0.272 0.000 1.030 230 I CB 2.421 40.523 38.000 0.170 0.000 1.259 230 I HN 0.627 nan 8.210 nan 0.000 0.423 231 T N 6.139 120.860 114.554 0.280 0.000 2.792 231 T HA 0.482 4.833 4.350 0.002 0.000 0.280 231 T C -0.791 173.753 174.700 -0.260 0.000 0.990 231 T CA -0.377 61.736 62.100 0.022 0.000 0.960 231 T CB 1.671 70.527 68.868 -0.019 0.000 0.939 231 T HN 0.263 nan 8.240 nan 0.000 0.439 232 V N 4.999 124.667 119.914 -0.410 0.000 2.334 232 V HA 0.462 4.583 4.120 0.002 0.000 0.281 232 V C -0.447 175.336 176.094 -0.518 0.000 1.016 232 V CA -0.813 61.247 62.300 -0.400 0.000 0.832 232 V CB -0.027 31.529 31.823 -0.446 0.000 0.999 232 V HN 0.724 nan 8.190 nan 0.000 0.439 233 F N 5.066 124.928 119.950 -0.147 0.000 2.362 233 F HA 0.485 5.013 4.527 0.002 0.000 0.311 233 F C -1.765 173.934 175.800 -0.169 0.000 1.161 233 F CA -2.398 55.448 58.000 -0.257 0.000 1.085 233 F CB 0.117 38.971 39.000 -0.244 0.000 1.311 233 F HN 0.288 nan 8.300 nan 0.000 0.524 234 P HA -0.036 nan 4.420 nan 0.000 0.261 234 P C -0.906 176.422 177.300 0.046 0.000 1.173 234 P CA 0.012 63.017 63.100 -0.159 0.000 0.760 234 P CB 0.160 31.545 31.700 -0.525 0.000 0.783 235 Q N 3.895 123.695 119.800 0.000 0.000 2.584 235 Q HA 0.137 4.478 4.340 0.002 0.000 0.235 235 Q C -0.183 175.726 176.000 -0.152 0.000 1.079 235 Q CA -0.263 55.310 55.803 -0.382 0.000 0.977 235 Q CB 0.546 28.793 28.738 -0.818 0.000 1.293 235 Q HN 0.354 nan 8.270 nan 0.000 0.553 236 R N -0.182 120.188 120.500 -0.217 0.000 2.539 236 R HA 0.530 4.871 4.340 0.002 0.000 0.275 236 R C -0.779 175.463 176.300 -0.097 0.000 1.077 236 R CA 0.006 56.055 56.100 -0.086 0.000 1.097 236 R CB 1.012 31.255 30.300 -0.096 0.000 1.018 236 R HN 0.726 nan 8.270 nan 0.000 0.483 237 A N 3.371 126.175 122.820 -0.027 0.000 2.393 237 A HA 0.415 4.736 4.320 0.002 0.000 0.306 237 A C -1.908 175.669 177.584 -0.012 0.000 1.050 237 A CA -1.576 50.448 52.037 -0.022 0.000 0.724 237 A CB 1.610 20.624 19.000 0.025 0.000 1.248 237 A HN 0.490 nan 8.150 nan 0.000 0.424 238 P HA -0.139 nan 4.420 nan 0.000 0.219 238 P C 1.205 178.506 177.300 0.001 0.000 1.146 238 P CA 1.943 65.037 63.100 -0.010 0.000 0.808 238 P CB 0.145 31.840 31.700 -0.009 0.000 0.779 239 G N -0.419 108.386 108.800 0.009 0.000 3.088 239 G HA2 0.113 4.075 3.960 0.002 0.000 0.212 239 G HA3 0.113 4.075 3.960 0.002 0.000 0.212 239 G C 0.614 175.522 174.900 0.013 0.000 1.173 239 G CA -0.170 44.938 45.100 0.014 0.000 0.779 239 G HN 0.435 nan 8.290 nan 0.000 0.540 240 R N -2.683 117.824 120.500 0.011 0.000 2.741 240 R HA 0.591 4.932 4.340 0.002 0.000 0.274 240 R C 0.252 176.551 176.300 -0.002 0.000 1.029 240 R CA -0.432 55.670 56.100 0.004 0.000 0.880 240 R CB -0.063 30.241 30.300 0.006 0.000 1.264 240 R HN 0.026 nan 8.270 nan 0.000 0.465 241 G N -0.064 108.725 108.800 -0.017 0.000 2.684 241 G HA2 0.266 4.227 3.960 0.002 0.000 0.255 241 G HA3 0.266 4.227 3.960 0.002 0.000 0.255 241 G C -0.909 173.976 174.900 -0.024 0.000 1.219 241 G CA -0.353 44.735 45.100 -0.019 0.000 0.901 241 G HN 0.559 nan 8.290 nan 0.000 0.548 242 D N -0.947 119.453 120.400 -0.001 0.000 2.277 242 D HA 0.377 5.018 4.640 0.002 0.000 0.250 242 D C -0.471 175.841 176.300 0.021 0.000 1.032 242 D CA -0.084 53.947 54.000 0.053 0.000 0.947 242 D CB 1.275 42.121 40.800 0.077 0.000 1.159 242 D HN 0.077 nan 8.370 nan 0.000 0.460 243 F N 1.404 121.386 119.950 0.053 0.000 2.420 243 F HA 0.326 4.854 4.527 0.002 0.000 0.352 243 F C 0.988 176.821 175.800 0.055 0.000 1.108 243 F CA 0.021 58.040 58.000 0.032 0.000 1.162 243 F CB 0.665 39.678 39.000 0.023 0.000 1.118 243 F HN -0.196 nan 8.300 nan 0.000 0.510 244 R N 3.964 124.589 120.500 0.208 0.000 2.651 244 R HA 0.499 4.840 4.340 0.002 0.000 0.278 244 R C -1.288 175.163 176.300 0.252 0.000 1.010 244 R CA -0.828 55.414 56.100 0.236 0.000 0.896 244 R CB 2.242 32.714 30.300 0.285 0.000 1.211 244 R HN 0.621 nan 8.270 nan 0.000 0.456 245 I N 2.076 122.781 120.570 0.225 0.000 2.328 245 I HA 0.158 4.329 4.170 0.002 0.000 0.287 245 I C 0.514 176.841 176.117 0.351 0.000 1.012 245 I CA -0.429 60.994 61.300 0.205 0.000 1.195 245 I CB 1.111 39.175 38.000 0.108 0.000 1.350 245 I HN 0.525 nan 8.210 nan 0.000 0.464 246 W N 3.644 124.992 121.300 0.081 0.000 2.402 246 W HA -0.084 4.577 4.660 0.002 0.000 0.286 246 W C 0.947 177.579 176.519 0.188 0.000 1.221 246 W CA 0.148 57.614 57.345 0.203 0.000 1.257 246 W CB -0.786 28.747 29.460 0.123 0.000 1.120 246 W HN 0.407 nan 8.180 nan 0.000 0.551 247 N N -0.082 118.780 118.700 0.269 0.000 2.508 247 N HA 0.019 4.760 4.740 0.002 0.000 0.264 247 N C 1.303 176.880 175.510 0.113 0.000 1.216 247 N CA 0.810 53.940 53.050 0.133 0.000 0.943 247 N CB 0.789 39.290 38.487 0.023 0.000 1.113 247 N HN -0.107 nan 8.380 nan 0.000 0.447 248 S N 0.611 116.369 115.700 0.097 0.000 2.436 248 S HA -0.024 4.447 4.470 0.002 0.000 0.228 248 S C 0.341 174.944 174.600 0.005 0.000 1.014 248 S CA 0.648 58.893 58.200 0.076 0.000 0.950 248 S CB 0.067 63.332 63.200 0.108 0.000 0.784 248 S HN 0.648 nan 8.310 nan 0.000 0.504 249 Q N -0.701 119.084 119.800 -0.025 0.000 2.416 249 Q HA 0.492 4.833 4.340 0.002 0.000 0.281 249 Q C 0.160 176.075 176.000 -0.142 0.000 1.067 249 Q CA -0.544 55.203 55.803 -0.094 0.000 0.809 249 Q CB 1.992 30.701 28.738 -0.047 0.000 1.418 249 Q HN 0.121 nan 8.270 nan 0.000 0.411 250 L N 0.209 121.322 121.223 -0.183 0.000 2.191 250 L HA 0.008 4.349 4.340 0.002 0.000 0.212 250 L C 0.385 177.101 176.870 -0.256 0.000 1.103 250 L CA 0.852 55.584 54.840 -0.179 0.000 0.769 250 L CB 0.040 41.993 42.059 -0.176 0.000 0.908 250 L HN 0.264 nan 8.230 nan 0.000 0.438 251 V N 0.787 120.446 119.914 -0.425 0.000 2.444 251 V HA 0.497 4.618 4.120 0.002 0.000 0.294 251 V C -0.251 175.336 176.094 -0.846 0.000 1.022 251 V CA -0.701 61.167 62.300 -0.720 0.000 0.850 251 V CB 1.771 32.927 31.823 -1.111 0.000 0.992 251 V HN 0.164 nan 8.190 nan 0.000 0.426 252 R N 2.817 122.956 120.500 -0.602 0.000 2.668 252 R HA 0.507 4.848 4.340 0.002 0.000 0.272 252 R C -1.879 174.234 176.300 -0.311 0.000 1.019 252 R CA -0.774 55.101 56.100 -0.375 0.000 0.894 252 R CB 2.485 32.687 30.300 -0.163 0.000 1.228 252 R HN 0.584 nan 8.270 nan 0.000 0.460 253 Y N 0.315 120.612 120.300 -0.005 0.000 2.334 253 Y HA 0.474 5.025 4.550 0.002 0.000 0.328 253 Y C 0.931 176.793 175.900 -0.063 0.000 1.130 253 Y CA -0.655 57.450 58.100 0.007 0.000 1.163 253 Y CB 1.325 39.853 38.460 0.113 0.000 1.207 253 Y HN 0.699 nan 8.280 nan 0.000 0.471 254 A N 1.502 124.348 122.820 0.043 0.000 2.425 254 A HA 0.549 4.871 4.320 0.002 0.000 0.242 254 A C 0.582 177.934 177.584 -0.386 0.000 1.077 254 A CA 0.309 52.206 52.037 -0.233 0.000 0.781 254 A CB -0.261 18.526 19.000 -0.356 0.000 1.020 254 A HN 0.970 nan 8.150 nan 0.000 0.494 255 G N 0.679 109.221 108.800 -0.431 0.000 2.866 255 G HA2 0.530 4.491 3.960 0.002 0.000 0.291 255 G HA3 0.530 4.491 3.960 0.002 0.000 0.291 255 G C -1.000 173.740 174.900 -0.267 0.000 1.476 255 G CA -0.282 44.626 45.100 -0.319 0.000 1.048 255 G HN 0.551 nan 8.290 nan 0.000 0.542 256 Y N 1.174 121.489 120.300 0.024 0.000 2.383 256 Y HA 0.371 4.922 4.550 0.002 0.000 0.344 256 Y C 1.082 176.984 175.900 0.004 0.000 0.986 256 Y CA -0.980 57.136 58.100 0.026 0.000 1.175 256 Y CB 1.359 39.833 38.460 0.024 0.000 1.152 256 Y HN 0.489 nan 8.280 nan 0.000 0.511 257 R N 3.985 124.571 120.500 0.145 0.000 2.351 257 R HA 0.084 4.425 4.340 0.002 0.000 0.321 257 R C -0.634 175.710 176.300 0.074 0.000 1.182 257 R CA -0.080 56.068 56.100 0.081 0.000 1.011 257 R CB 0.034 30.369 30.300 0.059 0.000 1.048 257 R HN 0.703 nan 8.270 nan 0.000 0.490 258 Q N 3.103 122.940 119.800 0.062 0.000 2.314 258 Q HA -0.043 4.298 4.340 0.002 0.000 0.258 258 Q C 0.903 176.916 176.000 0.021 0.000 0.954 258 Q CA -0.144 55.682 55.803 0.037 0.000 0.890 258 Q CB 1.394 30.150 28.738 0.031 0.000 1.210 258 Q HN 0.717 nan 8.270 nan 0.000 0.410 259 Q N 2.207 122.014 119.800 0.011 0.000 2.293 259 Q HA -0.357 3.984 4.340 0.002 0.000 0.223 259 Q C 0.377 176.382 176.000 0.008 0.000 1.087 259 Q CA 2.341 58.147 55.803 0.006 0.000 0.966 259 Q CB -0.937 27.800 28.738 -0.001 0.000 1.076 259 Q HN 0.808 nan 8.270 nan 0.000 0.488 260 D N 0.445 120.849 120.400 0.007 0.000 2.826 260 D HA 0.090 4.731 4.640 0.002 0.000 0.247 260 D C 1.135 177.441 176.300 0.010 0.000 1.238 260 D CA 0.719 54.723 54.000 0.007 0.000 0.894 260 D CB -0.226 40.577 40.800 0.005 0.000 1.100 260 D HN 0.716 nan 8.370 nan 0.000 0.453 261 G N 0.337 109.145 108.800 0.013 0.000 2.322 261 G HA2 -0.398 3.563 3.960 0.002 0.000 0.264 261 G HA3 -0.398 3.563 3.960 0.002 0.000 0.264 261 G C 0.580 175.489 174.900 0.016 0.000 0.992 261 G CA 0.764 45.873 45.100 0.015 0.000 0.624 261 G HN 0.713 nan 8.290 nan 0.000 0.543 262 S N -1.083 114.625 115.700 0.014 0.000 2.611 262 S HA 0.443 4.914 4.470 0.002 0.000 0.252 262 S C 0.230 174.839 174.600 0.015 0.000 1.369 262 S CA 0.705 58.912 58.200 0.012 0.000 0.975 262 S CB 0.981 64.188 63.200 0.011 0.000 0.937 262 S HN 1.202 nan 8.310 nan 0.000 0.584 263 V N 2.493 122.409 119.914 0.004 0.000 2.655 263 V HA 0.435 4.556 4.120 0.002 0.000 0.301 263 V C -0.467 175.613 176.094 -0.023 0.000 1.082 263 V CA -0.836 61.462 62.300 -0.004 0.000 0.899 263 V CB 1.768 33.571 31.823 -0.033 0.000 1.014 263 V HN 0.924 nan 8.190 nan 0.000 0.429 264 R N 3.636 124.153 120.500 0.030 0.000 2.254 264 R HA 0.778 5.119 4.340 0.002 0.000 0.318 264 R C 0.558 176.819 176.300 -0.064 0.000 1.031 264 R CA 1.189 57.310 56.100 0.036 0.000 0.905 264 R CB 0.903 31.311 30.300 0.180 0.000 1.050 264 R HN 1.425 nan 8.270 nan 0.000 0.456 265 G N 2.959 111.640 108.800 -0.199 0.000 2.475 265 G HA2 -0.235 3.726 3.960 0.002 0.000 0.223 265 G HA3 -0.235 3.726 3.960 0.002 0.000 0.223 265 G C -1.327 173.177 174.900 -0.661 0.000 1.201 265 G CA -0.033 44.856 45.100 -0.352 0.000 0.962 265 G HN 0.713 nan 8.290 nan 0.000 0.586 266 D N 1.700 121.836 120.400 -0.440 0.000 2.380 266 D HA 0.555 5.196 4.640 0.002 0.000 0.230 266 D C -0.976 175.212 176.300 -0.187 0.000 1.154 266 D CA -1.993 51.779 54.000 -0.381 0.000 0.859 266 D CB 1.361 42.250 40.800 0.148 0.000 1.045 266 D HN -0.007 nan 8.370 nan 0.000 0.495 267 P HA -0.102 nan 4.420 nan 0.000 0.221 267 P C 0.859 178.161 177.300 0.002 0.000 1.145 267 P CA 0.926 63.981 63.100 -0.075 0.000 0.795 267 P CB 0.280 31.947 31.700 -0.055 0.000 0.775 268 A N -0.546 122.294 122.820 0.033 0.000 2.067 268 A HA -0.106 4.215 4.320 0.002 0.000 0.219 268 A C 1.606 179.237 177.584 0.079 0.000 1.158 268 A CA 1.276 53.366 52.037 0.089 0.000 0.661 268 A CB -0.793 18.287 19.000 0.132 0.000 0.801 268 A HN 0.152 nan 8.150 nan 0.000 0.452 269 N N -0.224 118.503 118.700 0.045 0.000 2.273 269 N HA 0.151 4.892 4.740 0.002 0.000 0.231 269 N C 1.067 176.565 175.510 -0.021 0.000 1.134 269 N CA 0.151 53.213 53.050 0.020 0.000 0.856 269 N CB 0.695 39.189 38.487 0.013 0.000 1.068 269 N HN 0.200 nan 8.380 nan 0.000 0.510 270 V N 0.941 120.849 119.914 -0.010 0.000 2.255 270 V HA -0.236 3.885 4.120 0.002 0.000 0.247 270 V C 2.423 178.514 176.094 -0.004 0.000 1.051 270 V CA 1.757 64.050 62.300 -0.012 0.000 1.018 270 V CB -0.280 31.548 31.823 0.009 0.000 0.641 270 V HN 0.376 nan 8.190 nan 0.000 0.445 271 E N -0.409 119.794 120.200 0.006 0.000 2.058 271 E HA -0.265 4.086 4.350 0.002 0.000 0.194 271 E C 2.130 178.655 176.600 -0.125 0.000 0.997 271 E CA 1.738 58.122 56.400 -0.026 0.000 0.801 271 E CB -0.156 29.570 29.700 0.043 0.000 0.746 271 E HN 0.495 nan 8.360 nan 0.000 0.450 272 I N 0.626 121.124 120.570 -0.119 0.000 2.394 272 I HA -0.183 3.988 4.170 0.002 0.000 0.251 272 I C 2.003 178.046 176.117 -0.123 0.000 1.136 272 I CA 1.387 62.580 61.300 -0.179 0.000 1.425 272 I CB -0.227 37.713 38.000 -0.099 0.000 1.079 272 I HN 0.062 nan 8.210 nan 0.000 0.425 273 T N 0.353 114.864 114.554 -0.071 0.000 2.777 273 T HA -0.147 4.204 4.350 0.002 0.000 0.266 273 T C 1.708 176.468 174.700 0.101 0.000 1.040 273 T CA 1.684 63.780 62.100 -0.006 0.000 1.141 273 T CB -0.228 68.631 68.868 -0.015 0.000 0.868 273 T HN 0.472 nan 8.240 nan 0.000 0.444 274 E N 0.918 121.152 120.200 0.056 0.000 2.051 274 E HA -0.044 4.307 4.350 0.002 0.000 0.192 274 E C 2.253 178.892 176.600 0.066 0.000 0.991 274 E CA 0.818 57.263 56.400 0.076 0.000 0.799 274 E CB -0.341 29.380 29.700 0.035 0.000 0.748 274 E HN 0.375 nan 8.360 nan 0.000 0.449 275 L N 0.614 121.830 121.223 -0.013 0.000 2.042 275 L HA -0.264 4.077 4.340 0.002 0.000 0.210 275 L C 2.629 179.571 176.870 0.119 0.000 1.076 275 L CA 0.979 55.836 54.840 0.029 0.000 0.749 275 L CB -0.423 41.550 42.059 -0.143 0.000 0.893 275 L HN 0.333 nan 8.230 nan 0.000 0.432 276 C N -0.268 119.052 119.300 0.033 0.000 2.429 276 C HA -0.150 4.311 4.460 0.002 0.000 0.277 276 C C 2.686 177.825 174.990 0.248 0.000 1.262 276 C CA 0.451 59.497 59.018 0.046 0.000 1.733 276 C CB -0.700 26.965 27.740 -0.124 0.000 2.010 276 C HN 0.438 nan 8.230 nan 0.000 0.483 277 I N 0.505 121.255 120.570 0.301 0.000 2.252 277 I HA -0.241 3.930 4.170 0.002 0.000 0.245 277 I C 2.782 178.981 176.117 0.136 0.000 1.102 277 I CA 1.489 62.945 61.300 0.261 0.000 1.385 277 I CB -0.741 37.388 38.000 0.215 0.000 1.064 277 I HN 0.463 nan 8.210 nan 0.000 0.414 278 Q N 0.763 120.632 119.800 0.116 0.000 2.181 278 Q HA -0.243 4.098 4.340 0.002 0.000 0.205 278 Q C 1.116 177.065 176.000 -0.085 0.000 0.980 278 Q CA 1.709 57.524 55.803 0.020 0.000 0.862 278 Q CB -0.014 28.747 28.738 0.038 0.000 0.905 278 Q HN 0.583 nan 8.270 nan 0.000 0.429 279 H N -1.627 117.429 119.070 -0.023 0.000 2.537 279 H HA 0.300 4.857 4.556 0.002 0.000 0.295 279 H C 0.506 175.807 175.328 -0.046 0.000 1.054 279 H CA 0.626 56.634 56.048 -0.067 0.000 1.156 279 H CB 0.810 30.484 29.762 -0.146 0.000 1.468 279 H HN 0.474 nan 8.280 nan 0.000 0.551 280 G N -0.347 108.493 108.800 0.066 0.000 2.144 280 G HA2 -0.258 3.703 3.960 0.002 0.000 0.218 280 G HA3 -0.258 3.703 3.960 0.002 0.000 0.218 280 G C -0.097 174.871 174.900 0.112 0.000 0.988 280 G CA -0.130 44.998 45.100 0.047 0.000 0.659 280 G HN 0.396 nan 8.290 nan 0.000 0.522 281 W N 2.050 123.329 121.300 -0.034 0.000 2.272 281 W HA 0.658 5.319 4.660 0.002 0.000 0.318 281 W C 0.214 176.727 176.519 -0.011 0.000 1.255 281 W CA 0.016 57.344 57.345 -0.028 0.000 1.200 281 W CB 0.979 30.430 29.460 -0.015 0.000 1.170 281 W HN 0.039 nan 8.180 nan 0.000 0.549 282 T N 9.444 123.650 114.554 -0.580 0.000 2.794 282 T HA 0.198 4.549 4.350 0.002 0.000 0.304 282 T C -2.055 171.864 174.700 -1.302 0.000 0.973 282 T CA -0.894 60.816 62.100 -0.650 0.000 0.972 282 T CB 0.313 68.968 68.868 -0.355 0.000 0.952 282 T HN 0.237 nan 8.240 nan 0.000 0.509 283 P HA 0.336 nan 4.420 nan 0.000 0.274 283 P C 0.323 177.226 177.300 -0.662 0.000 1.237 283 P CA -0.250 62.066 63.100 -1.306 0.000 0.793 283 P CB 1.034 32.369 31.700 -0.608 0.000 0.977 284 G N 0.741 109.322 108.800 -0.364 0.000 2.890 284 G HA2 0.373 4.334 3.960 0.002 0.000 0.189 284 G HA3 0.373 4.334 3.960 0.002 0.000 0.189 284 G C 0.022 174.703 174.900 -0.364 0.000 1.342 284 G CA -0.544 44.448 45.100 -0.180 0.000 1.026 284 G HN 0.719 nan 8.290 nan 0.000 0.579 285 N N -0.569 118.039 118.700 -0.152 0.000 2.498 285 N HA 0.201 4.942 4.740 0.002 0.000 0.272 285 N C 0.170 175.721 175.510 0.070 0.000 1.534 285 N CA 0.069 52.996 53.050 -0.205 0.000 0.873 285 N CB 0.426 38.765 38.487 -0.245 0.000 1.415 285 N HN 0.710 nan 8.380 nan 0.000 0.496 286 G N 0.274 109.203 108.800 0.216 0.000 2.642 286 G HA2 0.407 4.368 3.960 0.002 0.000 0.291 286 G HA3 0.407 4.368 3.960 0.002 0.000 0.291 286 G C 0.454 175.442 174.900 0.147 0.000 1.345 286 G CA -0.656 44.544 45.100 0.167 0.000 1.043 286 G HN 0.143 nan 8.290 nan 0.000 0.528 287 R N -1.405 119.097 120.500 0.003 0.000 2.265 287 R HA 0.173 4.514 4.340 0.002 0.000 0.194 287 R C -0.226 175.662 176.300 -0.685 0.000 0.931 287 R CA 0.435 56.359 56.100 -0.292 0.000 1.032 287 R CB 0.266 30.334 30.300 -0.388 0.000 0.980 287 R HN 0.383 nan 8.270 nan 0.000 0.497 288 F N 0.941 120.846 119.950 -0.075 0.000 2.577 288 F HA 0.258 4.786 4.527 0.002 0.000 0.342 288 F C -0.711 175.062 175.800 -0.044 0.000 1.479 288 F CA -1.016 56.710 58.000 -0.457 0.000 1.110 288 F CB 0.767 39.314 39.000 -0.754 0.000 1.306 288 F HN -0.292 nan 8.300 nan 0.000 0.554 289 D N 1.786 122.353 120.400 0.277 0.000 2.347 289 D HA 0.194 4.835 4.640 0.002 0.000 0.235 289 D C 0.198 176.735 176.300 0.396 0.000 1.149 289 D CA 0.042 54.260 54.000 0.365 0.000 0.850 289 D CB 2.275 43.336 40.800 0.435 0.000 1.061 289 D HN -0.046 nan 8.370 nan 0.000 0.487 290 V N 3.821 123.944 119.914 0.349 0.000 2.540 290 V HA -0.045 4.076 4.120 0.002 0.000 0.297 290 V C 1.110 177.208 176.094 0.007 0.000 1.024 290 V CA -0.070 62.319 62.300 0.149 0.000 1.105 290 V CB 0.082 31.951 31.823 0.077 0.000 0.938 290 V HN 0.349 nan 8.190 nan 0.000 0.482 291 L N 8.152 129.276 121.223 -0.166 0.000 2.464 291 L HA 0.360 4.701 4.340 0.002 0.000 0.264 291 L C -1.675 174.943 176.870 -0.420 0.000 1.199 291 L CA -1.320 53.257 54.840 -0.438 0.000 0.818 291 L CB 0.974 42.792 42.059 -0.402 0.000 1.102 291 L HN 0.496 nan 8.230 nan 0.000 0.473 292 P HA 0.301 nan 4.420 nan 0.000 0.281 292 P C -1.246 175.877 177.300 -0.295 0.000 1.264 292 P CA -0.599 62.253 63.100 -0.413 0.000 0.824 292 P CB 1.221 32.580 31.700 -0.569 0.000 1.092 293 L N 1.072 122.205 121.223 -0.149 0.000 2.325 293 L HA 0.405 4.746 4.340 0.002 0.000 0.279 293 L C 0.454 177.277 176.870 -0.079 0.000 1.054 293 L CA -0.770 54.024 54.840 -0.076 0.000 0.804 293 L CB 0.621 42.699 42.059 0.033 0.000 1.200 293 L HN 0.206 nan 8.230 nan 0.000 0.436 294 L N 5.038 126.194 121.223 -0.111 0.000 2.297 294 L HA 0.429 4.770 4.340 0.002 0.000 0.277 294 L C -0.605 176.150 176.870 -0.192 0.000 1.040 294 L CA -0.177 54.512 54.840 -0.252 0.000 0.867 294 L CB 0.729 42.543 42.059 -0.409 0.000 1.244 294 L HN 0.436 nan 8.230 nan 0.000 0.433 295 L N 3.600 124.781 121.223 -0.070 0.000 2.289 295 L HA 0.471 4.812 4.340 0.002 0.000 0.285 295 L C -0.116 176.694 176.870 -0.100 0.000 1.049 295 L CA -0.296 54.520 54.840 -0.039 0.000 0.804 295 L CB 1.577 43.630 42.059 -0.010 0.000 1.195 295 L HN 0.558 nan 8.230 nan 0.000 0.428 296 Q N 2.615 122.370 119.800 -0.074 0.000 2.333 296 Q HA 0.656 4.997 4.340 0.002 0.000 0.268 296 Q C -1.054 174.892 176.000 -0.089 0.000 1.007 296 Q CA -0.593 55.165 55.803 -0.075 0.000 0.810 296 Q CB 2.121 30.887 28.738 0.046 0.000 1.264 296 Q HN 0.788 nan 8.270 nan 0.000 0.452 297 A N 5.046 127.768 122.820 -0.163 0.000 2.293 297 A HA 0.631 4.952 4.320 0.002 0.000 0.302 297 A C -2.405 174.930 177.584 -0.415 0.000 1.119 297 A CA -1.710 50.087 52.037 -0.400 0.000 0.823 297 A CB 0.223 19.093 19.000 -0.216 0.000 1.097 297 A HN 0.635 nan 8.150 nan 0.000 0.491 298 P HA -0.066 nan 4.420 nan 0.000 0.257 298 P C -0.462 176.738 177.300 -0.167 0.000 1.153 298 P CA 1.118 63.998 63.100 -0.367 0.000 0.762 298 P CB 0.064 31.538 31.700 -0.376 0.000 0.743 299 D N -0.052 120.297 120.400 -0.086 0.000 2.955 299 D HA -0.193 4.448 4.640 0.002 0.000 0.226 299 D C 0.089 176.375 176.300 -0.022 0.000 1.178 299 D CA 1.326 55.307 54.000 -0.031 0.000 0.808 299 D CB -0.383 40.402 40.800 -0.025 0.000 1.099 299 D HN 0.461 nan 8.370 nan 0.000 0.421 300 E N -0.508 119.668 120.200 -0.040 0.000 2.221 300 E HA 0.662 5.013 4.350 0.002 0.000 0.268 300 E C 0.149 176.739 176.600 -0.017 0.000 0.933 300 E CA -0.699 55.682 56.400 -0.031 0.000 0.809 300 E CB 1.587 31.255 29.700 -0.055 0.000 1.190 300 E HN 0.145 nan 8.360 nan 0.000 0.406 301 A N 3.237 126.048 122.820 -0.015 0.000 2.445 301 A HA 0.329 4.650 4.320 0.002 0.000 0.242 301 A C -1.963 175.536 177.584 -0.140 0.000 1.075 301 A CA -0.824 51.201 52.037 -0.020 0.000 0.777 301 A CB -0.537 18.471 19.000 0.012 0.000 1.013 301 A HN 0.307 nan 8.150 nan 0.000 0.493 302 P HA 0.191 nan 4.420 nan 0.000 0.272 302 P C -0.590 176.465 177.300 -0.409 0.000 1.223 302 P CA 0.081 62.830 63.100 -0.585 0.000 0.784 302 P CB 0.748 31.585 31.700 -1.437 0.000 0.923 303 E N 0.438 120.450 120.200 -0.313 0.000 2.221 303 E HA 0.441 4.792 4.350 0.002 0.000 0.268 303 E C -0.840 175.470 176.600 -0.485 0.000 0.933 303 E CA -1.093 55.098 56.400 -0.349 0.000 0.809 303 E CB 1.649 31.175 29.700 -0.290 0.000 1.190 303 E HN 0.270 nan 8.360 nan 0.000 0.406 304 L N 2.769 123.611 121.223 -0.635 0.000 2.289 304 L HA 0.445 4.786 4.340 0.002 0.000 0.285 304 L C -1.601 174.721 176.870 -0.913 0.000 1.049 304 L CA 0.053 54.561 54.840 -0.553 0.000 0.804 304 L CB 0.217 42.090 42.059 -0.311 0.000 1.195 304 L HN 0.388 nan 8.230 nan 0.000 0.428 305 F N 4.142 123.850 119.950 -0.403 0.000 2.557 305 F HA 0.477 5.005 4.527 0.002 0.000 0.316 305 F C -0.350 175.180 175.800 -0.450 0.000 1.141 305 F CA -0.923 56.688 58.000 -0.648 0.000 0.922 305 F CB 1.825 39.996 39.000 -1.381 0.000 1.194 305 F HN 0.010 nan 8.300 nan 0.000 0.443 306 V N 4.697 124.537 119.914 -0.123 0.000 2.432 306 V HA 0.292 4.413 4.120 0.002 0.000 0.275 306 V C 0.167 176.371 176.094 0.183 0.000 1.043 306 V CA -0.708 61.607 62.300 0.024 0.000 0.925 306 V CB 1.302 33.175 31.823 0.083 0.000 0.985 306 V HN 0.540 nan 8.190 nan 0.000 0.466 307 L N 7.333 128.674 121.223 0.196 0.000 2.410 307 L HA 0.290 4.631 4.340 0.002 0.000 0.273 307 L C -2.105 174.869 176.870 0.173 0.000 1.152 307 L CA -1.450 53.544 54.840 0.257 0.000 0.855 307 L CB 0.420 42.563 42.059 0.140 0.000 1.129 307 L HN 0.440 nan 8.230 nan 0.000 0.463 308 P HA 0.051 nan 4.420 nan 0.000 0.261 308 P C -1.999 175.345 177.300 0.073 0.000 1.203 308 P CA -0.869 62.294 63.100 0.105 0.000 0.767 308 P CB 0.374 32.117 31.700 0.072 0.000 0.785 309 P HA -0.257 nan 4.420 nan 0.000 0.218 309 P C 1.339 178.668 177.300 0.048 0.000 1.150 309 P CA 1.391 64.530 63.100 0.065 0.000 0.841 309 P CB -0.150 31.592 31.700 0.070 0.000 0.784 310 E N -0.311 119.913 120.200 0.039 0.000 2.347 310 E HA -0.111 4.240 4.350 0.002 0.000 0.196 310 E C 1.742 178.355 176.600 0.020 0.000 1.008 310 E CA 0.888 57.304 56.400 0.026 0.000 0.852 310 E CB -1.002 28.710 29.700 0.021 0.000 0.783 310 E HN 0.322 nan 8.360 nan 0.000 0.505 311 L N 0.885 122.121 121.223 0.021 0.000 2.375 311 L HA 0.075 4.416 4.340 0.002 0.000 0.215 311 L C 0.761 177.643 176.870 0.019 0.000 1.108 311 L CA 0.131 54.979 54.840 0.013 0.000 0.830 311 L CB 0.494 42.552 42.059 -0.001 0.000 0.959 311 L HN -0.097 nan 8.230 nan 0.000 0.457 312 V N 2.156 122.084 119.914 0.024 0.000 2.258 312 V HA 0.105 4.226 4.120 0.002 0.000 0.258 312 V C 0.099 176.219 176.094 0.043 0.000 1.121 312 V CA -0.528 61.785 62.300 0.022 0.000 0.942 312 V CB 0.794 32.622 31.823 0.008 0.000 1.170 312 V HN 0.056 nan 8.190 nan 0.000 0.487 313 L N 5.204 126.456 121.223 0.050 0.000 2.462 313 L HA 0.339 4.680 4.340 0.002 0.000 0.272 313 L C 0.251 177.157 176.870 0.059 0.000 1.166 313 L CA 0.830 55.693 54.840 0.039 0.000 0.880 313 L CB 0.182 42.259 42.059 0.030 0.000 1.142 313 L HN 0.626 nan 8.230 nan 0.000 0.473 314 E N 3.251 123.466 120.200 0.025 0.000 2.277 314 E HA 0.574 4.925 4.350 0.002 0.000 0.266 314 E C -1.417 175.132 176.600 -0.086 0.000 0.901 314 E CA -0.975 55.440 56.400 0.025 0.000 0.782 314 E CB 2.416 32.160 29.700 0.073 0.000 1.228 314 E HN 0.367 nan 8.360 nan 0.000 0.424 315 V N 3.608 123.434 119.914 -0.148 0.000 2.378 315 V HA 0.317 4.438 4.120 0.002 0.000 0.288 315 V C -2.235 173.786 176.094 -0.122 0.000 1.016 315 V CA -1.851 60.296 62.300 -0.254 0.000 0.840 315 V CB 1.255 32.657 31.823 -0.702 0.000 0.994 315 V HN 0.556 nan 8.190 nan 0.000 0.431 316 P HA 0.272 nan 4.420 nan 0.000 0.276 316 P C -0.769 176.530 177.300 -0.000 0.000 1.235 316 P CA -0.154 62.913 63.100 -0.056 0.000 0.772 316 P CB 1.172 32.847 31.700 -0.042 0.000 0.871 317 L N 3.686 124.942 121.223 0.056 0.000 2.292 317 L HA 0.419 4.760 4.340 0.002 0.000 0.284 317 L C 1.150 178.165 176.870 0.240 0.000 1.065 317 L CA -0.159 54.773 54.840 0.152 0.000 0.806 317 L CB 0.511 42.717 42.059 0.246 0.000 1.175 317 L HN 0.520 nan 8.230 nan 0.000 0.431 318 E N 1.924 122.226 120.200 0.170 0.000 2.429 318 E HA 0.400 4.751 4.350 0.002 0.000 0.276 318 E C -1.399 175.198 176.600 -0.005 0.000 0.953 318 E CA -0.950 55.564 56.400 0.190 0.000 0.787 318 E CB 2.260 32.053 29.700 0.156 0.000 1.307 318 E HN 0.489 nan 8.360 nan 0.000 0.458 319 H N 1.416 120.340 119.070 -0.243 0.000 2.472 319 H HA 0.232 4.790 4.556 0.002 0.000 0.338 319 H C -1.729 173.308 175.328 -0.485 0.000 1.133 319 H CA -2.240 53.521 56.048 -0.479 0.000 1.216 319 H CB 2.059 31.444 29.762 -0.628 0.000 1.497 319 H HN 0.427 nan 8.280 nan 0.000 0.500 320 P HA -0.123 nan 4.420 nan 0.000 0.219 320 P C 0.919 178.014 177.300 -0.342 0.000 1.146 320 P CA 1.675 64.220 63.100 -0.924 0.000 0.808 320 P CB 0.432 31.578 31.700 -0.924 0.000 0.779 321 T N -4.668 109.851 114.554 -0.059 0.000 2.980 321 T HA 0.208 4.559 4.350 0.002 0.000 0.252 321 T C 0.810 175.496 174.700 -0.023 0.000 0.962 321 T CA -0.225 61.880 62.100 0.008 0.000 0.932 321 T CB -0.537 68.350 68.868 0.031 0.000 1.188 321 T HN -0.060 nan 8.240 nan 0.000 0.500 322 L N 4.086 125.262 121.223 -0.078 0.000 2.334 322 L HA 0.370 4.711 4.340 0.002 0.000 0.286 322 L C 1.957 178.507 176.870 -0.532 0.000 1.108 322 L CA -0.632 53.872 54.840 -0.560 0.000 0.875 322 L CB 0.790 42.112 42.059 -1.227 0.000 1.246 322 L HN 0.324 nan 8.230 nan 0.000 0.439 323 E N 4.779 124.809 120.200 -0.284 0.000 2.118 323 E HA -0.241 4.110 4.350 0.002 0.000 0.195 323 E C 1.622 178.194 176.600 -0.046 0.000 0.992 323 E CA 1.533 57.873 56.400 -0.100 0.000 0.804 323 E CB -0.236 29.476 29.700 0.019 0.000 0.741 323 E HN 0.849 nan 8.360 nan 0.000 0.458 324 W N -0.118 121.231 121.300 0.083 0.000 2.699 324 W HA 0.045 4.706 4.660 0.002 0.000 0.249 324 W C 1.580 178.141 176.519 0.071 0.000 1.280 324 W CA -0.172 57.208 57.345 0.058 0.000 1.345 324 W CB -1.091 28.381 29.460 0.020 0.000 1.128 324 W HN -0.109 nan 8.180 nan 0.000 0.642 325 F N 2.922 122.638 119.950 -0.390 0.000 2.095 325 F HA -0.138 4.390 4.527 0.002 0.000 0.298 325 F C 2.779 178.598 175.800 0.031 0.000 1.104 325 F CA 3.153 61.020 58.000 -0.220 0.000 1.232 325 F CB -0.625 38.116 39.000 -0.432 0.000 0.987 325 F HN -0.080 nan 8.300 nan 0.000 0.475 326 A N 0.217 123.181 122.820 0.241 0.000 1.948 326 A HA -0.188 4.133 4.320 0.002 0.000 0.220 326 A C 2.282 179.932 177.584 0.110 0.000 1.177 326 A CA 1.713 53.858 52.037 0.181 0.000 0.636 326 A CB -1.552 17.526 19.000 0.130 0.000 0.815 326 A HN 0.479 nan 8.150 nan 0.000 0.449 327 A N -0.582 122.309 122.820 0.118 0.000 2.186 327 A HA 0.034 4.355 4.320 0.002 0.000 0.219 327 A C 1.920 179.545 177.584 0.068 0.000 1.159 327 A CA 1.223 53.321 52.037 0.100 0.000 0.680 327 A CB -0.560 18.521 19.000 0.135 0.000 0.787 327 A HN 0.513 nan 8.150 nan 0.000 0.467 328 L N -1.406 119.833 121.223 0.027 0.000 2.478 328 L HA 0.066 4.407 4.340 0.002 0.000 0.223 328 L C 1.857 178.749 176.870 0.036 0.000 1.140 328 L CA 0.594 55.426 54.840 -0.014 0.000 0.842 328 L CB -0.413 41.538 42.059 -0.179 0.000 0.953 328 L HN 0.572 nan 8.230 nan 0.000 0.452 329 G N 0.235 109.061 108.800 0.043 0.000 2.168 329 G HA2 -0.268 3.693 3.960 0.002 0.000 0.257 329 G HA3 -0.268 3.693 3.960 0.002 0.000 0.257 329 G C 0.064 174.962 174.900 -0.005 0.000 0.997 329 G CA -0.200 44.929 45.100 0.049 0.000 0.708 329 G HN 0.096 nan 8.290 nan 0.000 0.520 330 L N 0.581 121.793 121.223 -0.018 0.000 2.426 330 L HA 0.693 5.034 4.340 0.002 0.000 0.271 330 L C 1.092 177.787 176.870 -0.293 0.000 1.169 330 L CA 0.084 54.845 54.840 -0.132 0.000 0.836 330 L CB 0.730 42.826 42.059 0.062 0.000 1.112 330 L HN 0.668 nan 8.230 nan 0.000 0.465 331 R N 2.288 122.390 120.500 -0.664 0.000 2.716 331 R HA 0.542 4.883 4.340 0.002 0.000 0.271 331 R C -1.912 174.260 176.300 -0.213 0.000 1.028 331 R CA -0.957 54.901 56.100 -0.403 0.000 0.883 331 R CB 1.651 31.677 30.300 -0.457 0.000 1.250 331 R HN 0.587 nan 8.270 nan 0.000 0.465 332 W N 2.228 123.464 121.300 -0.106 0.000 3.296 332 W HA 0.307 4.968 4.660 0.002 0.000 0.314 332 W C -1.173 175.424 176.519 0.130 0.000 1.238 332 W CA -0.989 56.399 57.345 0.071 0.000 1.193 332 W CB 1.790 31.213 29.460 -0.061 0.000 1.383 332 W HN 0.709 nan 8.180 nan 0.000 0.545 333 Y N 1.499 121.741 120.300 -0.096 0.000 2.357 333 Y HA 0.487 5.038 4.550 0.002 0.000 0.340 333 Y C 0.840 176.981 175.900 0.402 0.000 1.260 333 Y CA 0.395 58.526 58.100 0.051 0.000 1.425 333 Y CB 0.093 38.455 38.460 -0.162 0.000 1.326 333 Y HN 0.343 nan 8.280 nan 0.000 0.580 334 A N 1.982 125.074 122.820 0.453 0.000 1.975 334 A HA 0.082 4.403 4.320 0.002 0.000 0.215 334 A C 0.561 178.483 177.584 0.563 0.000 1.170 334 A CA 0.289 52.623 52.037 0.495 0.000 0.656 334 A CB -0.301 18.826 19.000 0.211 0.000 0.821 334 A HN 0.665 nan 8.150 nan 0.000 0.449 335 L N 2.206 123.716 121.223 0.479 0.000 2.255 335 L HA 0.397 4.738 4.340 0.002 0.000 0.289 335 L C -2.539 174.483 176.870 0.253 0.000 1.046 335 L CA -2.197 52.823 54.840 0.301 0.000 0.816 335 L CB 1.353 43.519 42.059 0.178 0.000 1.197 335 L HN 0.001 nan 8.230 nan 0.000 0.427 336 P HA 0.343 nan 4.420 nan 0.000 0.291 336 P C -1.477 175.729 177.300 -0.156 0.000 1.378 336 P CA -0.372 62.593 63.100 -0.224 0.000 0.853 336 P CB 1.358 32.484 31.700 -0.957 0.000 1.002 337 A N 4.554 127.292 122.820 -0.137 0.000 2.466 337 A HA 0.424 4.745 4.320 0.002 0.000 0.291 337 A C -0.211 177.153 177.584 -0.366 0.000 1.234 337 A CA -0.657 51.228 52.037 -0.254 0.000 0.752 337 A CB 0.856 19.731 19.000 -0.209 0.000 1.153 337 A HN 0.292 nan 8.150 nan 0.000 0.458 338 V N 2.784 122.314 119.914 -0.641 0.000 2.572 338 V HA 0.271 4.392 4.120 0.002 0.000 0.291 338 V C 1.168 176.862 176.094 -0.667 0.000 1.039 338 V CA 1.168 63.066 62.300 -0.671 0.000 1.055 338 V CB 1.155 32.422 31.823 -0.928 0.000 0.969 338 V HN 1.107 nan 8.190 nan 0.000 0.482 339 S N 1.443 116.966 115.700 -0.294 0.000 2.900 339 S HA 0.076 4.547 4.470 0.002 0.000 0.253 339 S C 0.685 175.287 174.600 0.004 0.000 1.029 339 S CA 0.021 58.141 58.200 -0.134 0.000 1.096 339 S CB -0.448 62.703 63.200 -0.081 0.000 1.067 339 S HN 0.920 nan 8.310 nan 0.000 0.610 340 N N 0.380 119.091 118.700 0.018 0.000 2.187 340 N HA 0.314 5.055 4.740 0.002 0.000 0.212 340 N C 0.086 175.675 175.510 0.131 0.000 1.152 340 N CA -0.515 52.586 53.050 0.085 0.000 0.872 340 N CB 0.155 38.693 38.487 0.085 0.000 1.025 340 N HN 0.260 nan 8.380 nan 0.000 0.514 341 M N 1.466 121.169 119.600 0.172 0.000 2.409 341 M HA 0.327 4.808 4.480 0.002 0.000 0.329 341 M C -0.623 175.840 176.300 0.272 0.000 1.180 341 M CA -0.851 54.596 55.300 0.245 0.000 1.053 341 M CB 2.509 35.304 32.600 0.325 0.000 1.586 341 M HN 0.130 nan 8.290 nan 0.000 0.461 342 L N 3.228 124.578 121.223 0.212 0.000 2.289 342 L HA 0.518 4.859 4.340 0.002 0.000 0.285 342 L C -1.349 175.611 176.870 0.149 0.000 1.049 342 L CA -0.932 54.011 54.840 0.172 0.000 0.804 342 L CB 1.042 43.156 42.059 0.091 0.000 1.195 342 L HN 0.602 nan 8.230 nan 0.000 0.428 343 L N 5.366 126.672 121.223 0.138 0.000 2.257 343 L HA 0.431 4.772 4.340 0.002 0.000 0.290 343 L C -0.426 176.447 176.870 0.004 0.000 1.044 343 L CA 0.262 55.058 54.840 -0.072 0.000 0.810 343 L CB 1.071 43.061 42.059 -0.114 0.000 1.193 343 L HN 0.637 nan 8.230 nan 0.000 0.425 344 E N 6.669 126.792 120.200 -0.128 0.000 2.133 344 E HA 0.379 4.730 4.350 0.002 0.000 0.274 344 E C -1.514 174.997 176.600 -0.148 0.000 0.930 344 E CA -0.393 55.953 56.400 -0.091 0.000 0.770 344 E CB 0.992 30.636 29.700 -0.094 0.000 1.104 344 E HN 0.724 nan 8.360 nan 0.000 0.403 345 I N 2.494 122.990 120.570 -0.123 0.000 2.478 345 I HA 0.263 4.434 4.170 0.002 0.000 0.287 345 I C 0.886 176.800 176.117 -0.339 0.000 1.042 345 I CA -0.778 60.325 61.300 -0.328 0.000 1.067 345 I CB 2.011 39.760 38.000 -0.419 0.000 1.233 345 I HN 0.779 nan 8.210 nan 0.000 0.431 346 G N 4.243 112.854 108.800 -0.315 0.000 2.379 346 G HA2 -0.144 3.817 3.960 0.002 0.000 0.297 346 G HA3 -0.144 3.817 3.960 0.002 0.000 0.297 346 G C 1.035 176.005 174.900 0.117 0.000 1.004 346 G CA 0.905 46.016 45.100 0.018 0.000 0.921 346 G HN 1.547 nan 8.290 nan 0.000 0.511 347 G N -2.077 106.733 108.800 0.018 0.000 2.217 347 G HA2 -0.241 3.720 3.960 0.002 0.000 0.246 347 G HA3 -0.241 3.720 3.960 0.002 0.000 0.246 347 G C 0.503 175.350 174.900 -0.088 0.000 0.990 347 G CA 0.453 45.562 45.100 0.015 0.000 0.627 347 G HN 1.231 nan 8.290 nan 0.000 0.522 348 L N 0.842 121.953 121.223 -0.186 0.000 2.375 348 L HA 0.616 4.957 4.340 0.002 0.000 0.271 348 L C 0.292 176.912 176.870 -0.416 0.000 1.107 348 L CA -0.465 54.137 54.840 -0.397 0.000 0.806 348 L CB 1.133 42.854 42.059 -0.564 0.000 1.146 348 L HN 0.212 nan 8.230 nan 0.000 0.447 349 E N 2.322 122.188 120.200 -0.558 0.000 2.210 349 E HA 0.403 4.754 4.350 0.002 0.000 0.266 349 E C -1.568 174.674 176.600 -0.597 0.000 0.883 349 E CA -0.454 55.704 56.400 -0.403 0.000 0.761 349 E CB 1.967 31.544 29.700 -0.205 0.000 1.156 349 E HN 0.258 nan 8.360 nan 0.000 0.412 350 F N 1.801 121.715 119.950 -0.060 0.000 2.311 350 F HA 0.113 4.641 4.527 0.002 0.000 0.371 350 F C 1.443 177.275 175.800 0.054 0.000 1.083 350 F CA -0.586 57.407 58.000 -0.011 0.000 1.113 350 F CB 1.283 40.258 39.000 -0.043 0.000 1.349 350 F HN 0.445 nan 8.300 nan 0.000 0.470 351 S N 1.326 117.128 115.700 0.171 0.000 2.507 351 S HA 0.193 4.664 4.470 0.002 0.000 0.235 351 S C 0.775 175.508 174.600 0.222 0.000 0.988 351 S CA 0.400 58.700 58.200 0.167 0.000 0.944 351 S CB -0.005 63.272 63.200 0.129 0.000 0.762 351 S HN 0.518 nan 8.310 nan 0.000 0.526 352 A N 0.399 123.394 122.820 0.292 0.000 2.522 352 A HA 0.821 5.142 4.320 0.002 0.000 0.285 352 A C -0.224 177.610 177.584 0.417 0.000 1.198 352 A CA -0.163 52.074 52.037 0.333 0.000 0.742 352 A CB 0.944 20.125 19.000 0.301 0.000 1.176 352 A HN 1.013 nan 8.150 nan 0.000 0.444 353 A N 4.090 127.113 122.820 0.337 0.000 3.399 353 A HA 0.633 4.954 4.320 0.002 0.000 0.262 353 A C -3.000 174.764 177.584 0.299 0.000 1.145 353 A CA -0.947 51.255 52.037 0.274 0.000 0.916 353 A CB 0.378 19.522 19.000 0.240 0.000 1.360 353 A HN 0.508 nan 8.150 nan 0.000 0.628 354 P HA 0.355 nan 4.420 nan 0.000 0.265 354 P C -0.744 176.585 177.300 0.047 0.000 1.193 354 P CA 0.579 63.657 63.100 -0.037 0.000 0.765 354 P CB 0.145 31.771 31.700 -0.123 0.000 0.823 355 F N -0.033 119.872 119.950 -0.074 0.000 2.588 355 F HA 0.777 5.305 4.527 0.002 0.000 0.314 355 F C -0.562 175.162 175.800 -0.126 0.000 1.069 355 F CA -1.134 56.823 58.000 -0.072 0.000 0.931 355 F CB 1.713 40.562 39.000 -0.251 0.000 1.260 355 F HN 0.408 nan 8.300 nan 0.000 0.465 356 S N 0.353 116.136 115.700 0.139 0.000 2.579 356 S HA 0.963 5.434 4.470 0.002 0.000 0.272 356 S C -0.746 173.802 174.600 -0.087 0.000 1.141 356 S CA -0.206 58.002 58.200 0.014 0.000 0.843 356 S CB 1.510 64.794 63.200 0.141 0.000 1.122 356 S HN 1.487 nan 8.310 nan 0.000 0.468 357 G N -0.183 108.520 108.800 -0.161 0.000 3.354 357 G HA2 0.717 4.678 3.960 0.002 0.000 0.174 357 G HA3 0.717 4.678 3.960 0.002 0.000 0.174 357 G C -1.670 173.210 174.900 -0.033 0.000 1.140 357 G CA -0.263 44.669 45.100 -0.280 0.000 0.897 357 G HN 1.142 nan 8.290 nan 0.000 0.685 358 W N -1.346 119.954 121.300 -0.001 0.000 3.029 358 W HA 0.825 5.486 4.660 0.002 0.000 0.339 358 W C -1.619 174.903 176.519 0.004 0.000 1.198 358 W CA -2.126 55.233 57.345 0.023 0.000 1.148 358 W CB 0.441 29.959 29.460 0.097 0.000 1.451 358 W HN 0.396 nan 8.180 nan 0.000 0.564 359 Y N 2.494 122.981 120.300 0.312 0.000 2.379 359 Y HA 0.279 4.830 4.550 0.002 0.000 0.337 359 Y C 0.785 176.745 175.900 0.100 0.000 1.238 359 Y CA -0.686 57.483 58.100 0.115 0.000 1.405 359 Y CB 1.098 39.538 38.460 -0.033 0.000 1.310 359 Y HN 0.446 nan 8.280 nan 0.000 0.569 360 M N 2.150 121.899 119.600 0.248 0.000 2.180 360 M HA 0.204 4.685 4.480 0.002 0.000 0.350 360 M C 1.052 177.344 176.300 -0.014 0.000 1.125 360 M CA -0.295 55.078 55.300 0.121 0.000 1.031 360 M CB 1.121 33.771 32.600 0.084 0.000 1.623 360 M HN 0.840 nan 8.290 nan 0.000 0.451 361 S N 1.443 117.095 115.700 -0.079 0.000 2.400 361 S HA -0.234 4.237 4.470 0.002 0.000 0.234 361 S C 1.448 175.900 174.600 -0.247 0.000 1.049 361 S CA 2.362 60.437 58.200 -0.210 0.000 1.039 361 S CB -1.491 61.631 63.200 -0.130 0.000 0.856 361 S HN 0.928 nan 8.310 nan 0.000 0.465 362 T N -0.087 114.351 114.554 -0.194 0.000 2.962 362 T HA 0.008 4.359 4.350 0.002 0.000 0.270 362 T C 1.549 176.085 174.700 -0.274 0.000 1.088 362 T CA 1.145 63.085 62.100 -0.266 0.000 1.127 362 T CB -0.548 68.129 68.868 -0.318 0.000 0.883 362 T HN 0.616 nan 8.240 nan 0.000 0.493 363 E N 0.897 120.951 120.200 -0.243 0.000 2.110 363 E HA -0.039 4.312 4.350 0.002 0.000 0.193 363 E C 2.005 178.317 176.600 -0.480 0.000 0.988 363 E CA 1.319 57.571 56.400 -0.247 0.000 0.804 363 E CB -0.268 29.410 29.700 -0.035 0.000 0.745 363 E HN 0.601 nan 8.360 nan 0.000 0.458 364 I N 0.003 120.162 120.570 -0.685 0.000 2.364 364 I HA -0.033 4.138 4.170 0.002 0.000 0.241 364 I C 2.584 178.346 176.117 -0.592 0.000 1.082 364 I CA 0.848 61.585 61.300 -0.938 0.000 1.401 364 I CB -0.515 36.840 38.000 -1.075 0.000 1.126 364 I HN 0.093 nan 8.210 nan 0.000 0.429 365 G N 0.186 108.738 108.800 -0.415 0.000 2.432 365 G HA2 -0.160 3.801 3.960 0.002 0.000 0.219 365 G HA3 -0.160 3.801 3.960 0.002 0.000 0.219 365 G C 1.593 176.372 174.900 -0.202 0.000 1.135 365 G CA 1.491 46.440 45.100 -0.251 0.000 0.767 365 G HN 0.294 nan 8.290 nan 0.000 0.550 366 T N -0.174 114.237 114.554 -0.239 0.000 3.082 366 T HA 0.107 4.458 4.350 0.002 0.000 0.235 366 T C 2.520 177.107 174.700 -0.189 0.000 0.991 366 T CA 0.196 62.178 62.100 -0.197 0.000 1.220 366 T CB 0.086 68.820 68.868 -0.223 0.000 0.909 366 T HN 0.002 nan 8.240 nan 0.000 0.424 367 R N 2.102 122.467 120.500 -0.225 0.000 2.056 367 R HA 0.124 4.465 4.340 0.002 0.000 0.227 367 R C 2.186 178.362 176.300 -0.208 0.000 1.149 367 R CA 1.158 57.134 56.100 -0.205 0.000 0.937 367 R CB -1.282 28.896 30.300 -0.202 0.000 0.835 367 R HN 0.324 nan 8.270 nan 0.000 0.430 368 N N 1.022 119.548 118.700 -0.289 0.000 2.104 368 N HA -0.111 4.630 4.740 0.002 0.000 0.190 368 N C 1.972 177.407 175.510 -0.125 0.000 1.024 368 N CA 1.143 54.023 53.050 -0.283 0.000 0.853 368 N CB -0.255 37.753 38.487 -0.799 0.000 1.008 368 N HN 0.200 nan 8.380 nan 0.000 0.424 369 L N -0.878 120.223 121.223 -0.203 0.000 2.354 369 L HA 0.087 4.428 4.340 0.002 0.000 0.212 369 L C 1.488 178.382 176.870 0.041 0.000 1.091 369 L CA 0.355 55.173 54.840 -0.035 0.000 0.828 369 L CB 0.200 42.208 42.059 -0.085 0.000 0.973 369 L HN 0.154 nan 8.230 nan 0.000 0.461 370 C N -1.524 117.759 119.300 -0.028 0.000 3.019 370 C HA 0.155 4.616 4.460 0.002 0.000 0.295 370 C C 0.712 175.686 174.990 -0.027 0.000 1.256 370 C CA -0.869 58.144 59.018 -0.009 0.000 1.706 370 C CB -0.285 27.436 27.740 -0.032 0.000 2.153 370 C HN 0.299 nan 8.230 nan 0.000 0.618 371 D N 2.900 123.250 120.400 -0.083 0.000 2.488 371 D HA 0.037 4.678 4.640 0.002 0.000 0.238 371 D C -1.073 175.191 176.300 -0.059 0.000 1.138 371 D CA -1.252 52.672 54.000 -0.125 0.000 0.873 371 D CB 0.634 41.205 40.800 -0.382 0.000 1.183 371 D HN 0.210 nan 8.370 nan 0.000 0.458 372 P HA -0.166 nan 4.420 nan 0.000 0.218 372 P C 0.757 178.135 177.300 0.129 0.000 1.149 372 P CA 1.336 64.503 63.100 0.111 0.000 0.817 372 P CB -0.007 31.776 31.700 0.139 0.000 0.785 373 H N -2.233 116.845 119.070 0.014 0.000 2.524 373 H HA 0.328 4.885 4.556 0.002 0.000 0.280 373 H C 1.059 176.391 175.328 0.008 0.000 1.018 373 H CA -0.188 55.865 56.048 0.008 0.000 1.165 373 H CB -0.118 29.649 29.762 0.009 0.000 1.411 373 H HN -0.007 nan 8.280 nan 0.000 0.569 374 R N -0.085 120.308 120.500 -0.179 0.000 2.769 374 R HA 0.175 4.516 4.340 0.002 0.000 0.117 374 R C 1.212 177.473 176.300 -0.065 0.000 1.152 374 R CA -0.659 55.372 56.100 -0.115 0.000 0.887 374 R CB -0.866 29.383 30.300 -0.086 0.000 1.099 374 R HN 0.109 nan 8.270 nan 0.000 0.398 375 Y N 1.708 122.016 120.300 0.014 0.000 2.421 375 Y HA -0.020 4.531 4.550 0.002 0.000 0.292 375 Y C 0.727 176.649 175.900 0.036 0.000 1.136 375 Y CA 1.135 59.262 58.100 0.044 0.000 1.255 375 Y CB -0.233 38.292 38.460 0.110 0.000 0.991 375 Y HN 0.529 nan 8.280 nan 0.000 0.552 376 N N 1.159 119.945 118.700 0.143 0.000 2.686 376 N HA -0.225 4.516 4.740 0.002 0.000 0.261 376 N C 0.526 176.114 175.510 0.131 0.000 1.001 376 N CA 0.391 53.504 53.050 0.106 0.000 0.764 376 N CB -0.950 37.582 38.487 0.075 0.000 0.898 376 N HN 0.646 nan 8.380 nan 0.000 0.544 377 I N -2.859 117.800 120.570 0.149 0.000 3.793 377 I HA 0.000 4.171 4.170 0.002 0.000 0.315 377 I C 1.793 178.000 176.117 0.150 0.000 1.275 377 I CA -0.437 60.949 61.300 0.144 0.000 1.214 377 I CB -0.028 38.061 38.000 0.148 0.000 1.018 377 I HN 0.113 nan 8.210 nan 0.000 0.439 378 L N 1.964 123.284 121.223 0.163 0.000 1.991 378 L HA -0.286 4.055 4.340 0.002 0.000 0.221 378 L C 2.639 179.705 176.870 0.327 0.000 1.079 378 L CA 2.339 57.309 54.840 0.218 0.000 0.778 378 L CB -1.051 41.113 42.059 0.174 0.000 0.893 378 L HN 0.517 nan 8.230 nan 0.000 0.437 379 E N -1.132 119.264 120.200 0.325 0.000 2.051 379 E HA -0.235 4.116 4.350 0.002 0.000 0.192 379 E C 1.843 178.474 176.600 0.051 0.000 0.991 379 E CA 1.357 57.876 56.400 0.198 0.000 0.799 379 E CB -0.029 29.725 29.700 0.090 0.000 0.748 379 E HN 0.513 nan 8.360 nan 0.000 0.449 380 D N 0.050 120.479 120.400 0.049 0.000 2.116 380 D HA -0.170 4.471 4.640 0.002 0.000 0.193 380 D C 2.057 178.342 176.300 -0.025 0.000 0.998 380 D CA 1.390 55.385 54.000 -0.008 0.000 0.836 380 D CB -0.097 40.710 40.800 0.011 0.000 0.951 380 D HN 0.149 nan 8.370 nan 0.000 0.449 381 V N 1.453 121.408 119.914 0.068 0.000 2.515 381 V HA -0.188 3.933 4.120 0.002 0.000 0.250 381 V C 2.539 178.699 176.094 0.110 0.000 1.058 381 V CA 1.533 63.918 62.300 0.141 0.000 1.064 381 V CB -0.669 31.324 31.823 0.283 0.000 0.675 381 V HN 0.160 nan 8.190 nan 0.000 0.461 382 A N 0.031 122.927 122.820 0.127 0.000 1.877 382 A HA -0.150 4.171 4.320 0.002 0.000 0.216 382 A C 2.400 179.943 177.584 -0.069 0.000 1.186 382 A CA 2.038 54.141 52.037 0.111 0.000 0.620 382 A CB -0.703 18.411 19.000 0.190 0.000 0.822 382 A HN 0.321 nan 8.150 nan 0.000 0.443 383 V N -0.768 119.057 119.914 -0.149 0.000 2.343 383 V HA -0.322 3.799 4.120 0.002 0.000 0.247 383 V C 2.621 178.537 176.094 -0.297 0.000 1.051 383 V CA 2.031 64.204 62.300 -0.211 0.000 1.036 383 V CB -1.054 30.650 31.823 -0.198 0.000 0.654 383 V HN 0.712 nan 8.190 nan 0.000 0.451 384 C N -0.519 118.523 119.300 -0.430 0.000 2.422 384 C HA -0.122 4.340 4.460 0.002 0.000 0.279 384 C C 2.638 177.100 174.990 -0.881 0.000 1.305 384 C CA 1.013 59.490 59.018 -0.901 0.000 1.757 384 C CB -0.989 25.835 27.740 -1.528 0.000 1.962 384 C HN 0.536 nan 8.230 nan 0.000 0.499 385 M N -0.173 119.206 119.600 -0.368 0.000 2.556 385 M HA 0.041 4.522 4.480 0.002 0.000 0.245 385 M C 0.481 176.746 176.300 -0.058 0.000 1.128 385 M CA 0.782 56.062 55.300 -0.034 0.000 1.069 385 M CB -0.166 32.532 32.600 0.163 0.000 1.469 385 M HN 0.206 nan 8.290 nan 0.000 0.494 386 D N 1.718 122.034 120.400 -0.139 0.000 2.718 386 D HA -0.148 4.493 4.640 0.002 0.000 0.242 386 D C -0.994 175.271 176.300 -0.058 0.000 1.123 386 D CA 0.488 54.422 54.000 -0.109 0.000 0.690 386 D CB -1.038 39.709 40.800 -0.089 0.000 1.059 386 D HN 0.279 nan 8.370 nan 0.000 0.429 387 L N -0.057 121.134 121.223 -0.053 0.000 2.400 387 L HA 0.398 4.739 4.340 0.002 0.000 0.264 387 L C 0.937 177.756 176.870 -0.085 0.000 1.061 387 L CA -0.881 53.955 54.840 -0.008 0.000 0.799 387 L CB 0.721 42.839 42.059 0.097 0.000 1.240 387 L HN -0.028 nan 8.230 nan 0.000 0.461 388 D N -0.043 120.335 120.400 -0.037 0.000 2.435 388 D HA 0.031 4.672 4.640 0.002 0.000 0.230 388 D C 1.031 177.197 176.300 -0.223 0.000 1.215 388 D CA -0.204 53.746 54.000 -0.084 0.000 0.947 388 D CB 0.622 41.424 40.800 0.003 0.000 1.048 388 D HN 0.557 nan 8.370 nan 0.000 0.512 389 T N 0.490 114.745 114.554 -0.497 0.000 3.148 389 T HA 0.029 4.380 4.350 0.002 0.000 0.253 389 T C 1.666 176.110 174.700 -0.425 0.000 1.134 389 T CA 0.112 61.613 62.100 -1.000 0.000 1.051 389 T CB 0.018 68.241 68.868 -1.075 0.000 0.959 389 T HN 0.243 nan 8.240 nan 0.000 0.525 390 R N 0.826 121.213 120.500 -0.187 0.000 2.070 390 R HA 0.045 4.386 4.340 0.002 0.000 0.232 390 R C 1.483 177.807 176.300 0.039 0.000 1.138 390 R CA 1.375 57.438 56.100 -0.062 0.000 0.936 390 R CB -0.532 29.746 30.300 -0.037 0.000 0.839 390 R HN 0.392 nan 8.270 nan 0.000 0.429 391 T N -1.334 113.281 114.554 0.102 0.000 2.940 391 T HA 0.141 4.492 4.350 0.002 0.000 0.288 391 T C 1.219 176.097 174.700 0.297 0.000 1.033 391 T CA -0.427 61.769 62.100 0.160 0.000 1.033 391 T CB 1.844 70.773 68.868 0.102 0.000 1.079 391 T HN 0.333 nan 8.240 nan 0.000 0.496 392 T N -0.119 114.563 114.554 0.213 0.000 2.942 392 T HA -0.051 4.300 4.350 0.002 0.000 0.265 392 T C 2.094 176.841 174.700 0.078 0.000 1.062 392 T CA 1.280 63.465 62.100 0.141 0.000 1.139 392 T CB -0.699 68.200 68.868 0.052 0.000 0.883 392 T HN 0.636 nan 8.240 nan 0.000 0.468 393 S N 2.366 118.117 115.700 0.085 0.000 2.500 393 S HA -0.096 4.375 4.470 0.002 0.000 0.239 393 S C 2.106 176.750 174.600 0.074 0.000 0.989 393 S CA 0.923 59.158 58.200 0.059 0.000 0.951 393 S CB -0.908 62.322 63.200 0.050 0.000 0.759 393 S HN 0.759 nan 8.310 nan 0.000 0.523 394 S N 1.511 117.290 115.700 0.132 0.000 2.562 394 S HA 0.247 4.718 4.470 0.002 0.000 0.221 394 S C 0.937 175.615 174.600 0.130 0.000 0.975 394 S CA 0.142 58.428 58.200 0.144 0.000 0.918 394 S CB -0.930 62.391 63.200 0.203 0.000 0.772 394 S HN 0.602 nan 8.310 nan 0.000 0.531 395 L N 0.851 122.114 121.223 0.067 0.000 3.843 395 L HA -0.177 4.164 4.340 0.002 0.000 0.411 395 L C 1.646 178.509 176.870 -0.012 0.000 1.205 395 L CA 0.685 55.504 54.840 -0.035 0.000 0.945 395 L CB -2.491 39.562 42.059 -0.010 0.000 1.929 395 L HN 0.730 nan 8.230 nan 0.000 0.934 396 W N -0.023 121.288 121.300 0.019 0.000 2.374 396 W HA -0.154 4.507 4.660 0.001 0.000 0.288 396 W C 1.725 178.261 176.519 0.029 0.000 1.218 396 W CA 1.341 58.700 57.345 0.023 0.000 1.245 396 W CB -0.734 28.736 29.460 0.016 0.000 1.126 396 W HN 0.292 nan 8.180 nan 0.000 0.545 397 K N 1.038 121.017 120.400 -0.702 0.000 2.057 397 K HA -0.157 4.165 4.320 0.002 0.000 0.207 397 K C 1.517 177.979 176.600 -0.229 0.000 1.049 397 K CA 2.306 58.218 56.287 -0.625 0.000 0.931 397 K CB -0.343 31.628 32.500 -0.883 0.000 0.714 397 K HN 0.057 nan 8.250 nan 0.000 0.440 398 D N 0.632 120.919 120.400 -0.189 0.000 2.144 398 D HA -0.112 4.529 4.640 0.002 0.000 0.200 398 D C 1.675 177.966 176.300 -0.015 0.000 0.978 398 D CA 1.151 55.097 54.000 -0.090 0.000 0.833 398 D CB 0.056 40.811 40.800 -0.075 0.000 0.961 398 D HN 0.114 nan 8.370 nan 0.000 0.470 399 K N 0.522 120.938 120.400 0.027 0.000 2.025 399 K HA 0.004 4.325 4.320 0.002 0.000 0.207 399 K C 2.234 178.901 176.600 0.111 0.000 1.049 399 K CA 1.107 57.442 56.287 0.079 0.000 0.933 399 K CB -0.173 32.395 32.500 0.113 0.000 0.714 399 K HN 0.077 nan 8.250 nan 0.000 0.438 400 A N 1.614 124.522 122.820 0.147 0.000 1.902 400 A HA -0.153 4.168 4.320 0.002 0.000 0.217 400 A C 2.381 180.051 177.584 0.145 0.000 1.181 400 A CA 1.937 54.090 52.037 0.192 0.000 0.623 400 A CB -0.764 18.386 19.000 0.249 0.000 0.818 400 A HN 0.351 nan 8.150 nan 0.000 0.443 401 A N -0.530 122.333 122.820 0.071 0.000 1.883 401 A HA -0.059 4.262 4.320 0.002 0.000 0.217 401 A C 2.250 179.849 177.584 0.024 0.000 1.186 401 A CA 1.940 53.992 52.037 0.025 0.000 0.624 401 A CB -1.073 17.905 19.000 -0.037 0.000 0.822 401 A HN 0.424 nan 8.150 nan 0.000 0.444 402 V N 0.429 120.364 119.914 0.034 0.000 2.287 402 V HA -0.241 3.880 4.120 0.002 0.000 0.248 402 V C 2.593 178.723 176.094 0.061 0.000 1.053 402 V CA 2.234 64.559 62.300 0.041 0.000 1.027 402 V CB -0.757 31.099 31.823 0.055 0.000 0.646 402 V HN 0.544 nan 8.190 nan 0.000 0.447 403 E N -0.089 120.175 120.200 0.106 0.000 2.110 403 E HA -0.157 4.194 4.350 0.002 0.000 0.193 403 E C 2.130 178.779 176.600 0.081 0.000 0.988 403 E CA 1.298 57.792 56.400 0.157 0.000 0.804 403 E CB -0.332 29.463 29.700 0.159 0.000 0.745 403 E HN 0.595 nan 8.360 nan 0.000 0.458 404 I N 1.301 121.934 120.570 0.106 0.000 2.226 404 I HA -0.277 3.894 4.170 0.002 0.000 0.245 404 I C 1.661 177.757 176.117 -0.035 0.000 1.100 404 I CA 1.087 62.442 61.300 0.091 0.000 1.374 404 I CB -0.327 37.780 38.000 0.178 0.000 1.057 404 I HN 0.036 nan 8.210 nan 0.000 0.413 405 N N 0.512 119.187 118.700 -0.042 0.000 2.309 405 N HA -0.145 4.596 4.740 0.002 0.000 0.182 405 N C 1.620 177.083 175.510 -0.078 0.000 1.018 405 N CA 0.732 53.735 53.050 -0.080 0.000 0.876 405 N CB -0.111 38.334 38.487 -0.070 0.000 0.972 405 N HN 0.162 nan 8.380 nan 0.000 0.434 406 L N 0.566 121.740 121.223 -0.080 0.000 2.072 406 L HA 0.109 4.450 4.340 0.002 0.000 0.205 406 L C 2.003 178.739 176.870 -0.223 0.000 1.079 406 L CA 1.196 55.953 54.840 -0.137 0.000 0.752 406 L CB -0.861 41.100 42.059 -0.163 0.000 0.906 406 L HN 0.132 nan 8.230 nan 0.000 0.436 407 A N -1.235 121.399 122.820 -0.310 0.000 1.940 407 A HA -0.162 4.159 4.320 0.002 0.000 0.219 407 A C 2.287 179.785 177.584 -0.143 0.000 1.176 407 A CA 1.996 53.798 52.037 -0.390 0.000 0.631 407 A CB -1.056 17.413 19.000 -0.885 0.000 0.814 407 A HN 0.288 nan 8.150 nan 0.000 0.446 408 V N -0.109 119.740 119.914 -0.109 0.000 2.295 408 V HA -0.245 3.876 4.120 0.002 0.000 0.246 408 V C 2.568 178.654 176.094 -0.014 0.000 1.049 408 V CA 1.999 64.270 62.300 -0.048 0.000 1.024 408 V CB -0.662 31.054 31.823 -0.178 0.000 0.648 408 V HN 0.580 nan 8.190 nan 0.000 0.447 409 L N -0.658 120.531 121.223 -0.056 0.000 2.083 409 L HA -0.201 4.140 4.340 0.002 0.000 0.209 409 L C 2.571 179.461 176.870 0.035 0.000 1.083 409 L CA 1.930 56.757 54.840 -0.020 0.000 0.752 409 L CB -0.742 41.301 42.059 -0.027 0.000 0.899 409 L HN 0.482 nan 8.230 nan 0.000 0.433 410 H N -0.292 118.727 119.070 -0.085 0.000 2.293 410 H HA -0.131 4.426 4.556 0.002 0.000 0.300 410 H C 2.355 177.664 175.328 -0.032 0.000 1.082 410 H CA 1.973 57.963 56.048 -0.096 0.000 1.308 410 H CB -0.034 29.606 29.762 -0.204 0.000 1.375 410 H HN 0.136 nan 8.280 nan 0.000 0.495 411 S N -0.240 115.382 115.700 -0.129 0.000 2.348 411 S HA -0.149 4.322 4.470 0.002 0.000 0.221 411 S C 2.108 176.673 174.600 -0.058 0.000 1.033 411 S CA 1.407 59.528 58.200 -0.132 0.000 1.010 411 S CB -0.701 62.519 63.200 0.033 0.000 0.891 411 S HN 0.392 nan 8.310 nan 0.000 0.442 412 F N 1.915 121.799 119.950 -0.109 0.000 2.161 412 F HA -0.175 4.353 4.527 0.002 0.000 0.300 412 F C 2.807 178.552 175.800 -0.091 0.000 1.089 412 F CA 1.249 59.210 58.000 -0.065 0.000 1.282 412 F CB -0.283 38.703 39.000 -0.022 0.000 1.010 412 F HN 0.237 nan 8.300 nan 0.000 0.485 413 Q N -0.591 119.244 119.800 0.057 0.000 2.230 413 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 413 Q C 2.080 178.018 176.000 -0.103 0.000 0.963 413 Q CA 0.901 56.689 55.803 -0.025 0.000 0.866 413 Q CB -0.198 28.523 28.738 -0.028 0.000 0.931 413 Q HN 0.369 nan 8.270 nan 0.000 0.452 414 L N 0.110 121.213 121.223 -0.199 0.000 2.109 414 L HA 0.023 4.364 4.340 0.002 0.000 0.207 414 L C 1.845 178.625 176.870 -0.149 0.000 1.086 414 L CA 1.531 56.238 54.840 -0.221 0.000 0.760 414 L CB -0.357 41.479 42.059 -0.371 0.000 0.910 414 L HN 0.068 nan 8.230 nan 0.000 0.437 415 A N -1.264 121.463 122.820 -0.154 0.000 2.238 415 A HA 0.050 4.371 4.320 0.002 0.000 0.208 415 A C 0.616 178.133 177.584 -0.113 0.000 1.177 415 A CA -0.020 51.931 52.037 -0.143 0.000 0.804 415 A CB -0.392 18.484 19.000 -0.207 0.000 0.823 415 A HN 0.362 nan 8.150 nan 0.000 0.482 416 K N -1.025 119.322 120.400 -0.088 0.000 3.150 416 K HA -0.130 4.191 4.320 0.002 0.000 0.267 416 K C -0.638 175.929 176.600 -0.055 0.000 1.028 416 K CA 0.786 57.034 56.287 -0.064 0.000 0.753 416 K CB -2.703 29.761 32.500 -0.061 0.000 1.288 416 K HN 0.305 nan 8.250 nan 0.000 0.473 417 V N 0.897 120.789 119.914 -0.036 0.000 2.495 417 V HA 0.204 4.326 4.120 0.002 0.000 0.298 417 V C 0.738 176.914 176.094 0.137 0.000 1.031 417 V CA -0.781 61.527 62.300 0.013 0.000 0.871 417 V CB 2.112 33.867 31.823 -0.113 0.000 0.988 417 V HN 0.293 nan 8.190 nan 0.000 0.432 418 T N 6.117 120.716 114.554 0.074 0.000 2.871 418 T HA 0.378 4.729 4.350 0.002 0.000 0.296 418 T C -0.293 174.486 174.700 0.131 0.000 0.998 418 T CA 0.904 62.982 62.100 -0.037 0.000 1.162 418 T CB -0.050 68.653 68.868 -0.274 0.000 0.947 418 T HN 0.511 nan 8.240 nan 0.000 0.536 419 I N 3.188 123.779 120.570 0.034 0.000 3.004 419 I HA 0.690 4.861 4.170 0.002 0.000 0.305 419 I C -1.573 174.570 176.117 0.043 0.000 1.312 419 I CA -0.841 60.504 61.300 0.074 0.000 0.992 419 I CB 2.199 40.181 38.000 -0.030 0.000 1.282 419 I HN 0.424 nan 8.210 nan 0.000 0.449 420 V N 5.230 125.216 119.914 0.121 0.000 2.686 420 V HA 0.562 4.683 4.120 0.002 0.000 0.306 420 V C -1.387 174.757 176.094 0.083 0.000 1.065 420 V CA -0.310 62.064 62.300 0.124 0.000 0.894 420 V CB 2.063 34.043 31.823 0.262 0.000 1.004 420 V HN 0.922 nan 8.190 nan 0.000 0.424 421 D N 4.061 124.488 120.400 0.045 0.000 2.354 421 D HA 0.204 4.845 4.640 0.002 0.000 0.247 421 D C 1.255 177.555 176.300 -0.002 0.000 1.138 421 D CA 0.167 54.182 54.000 0.026 0.000 0.958 421 D CB 0.469 41.250 40.800 -0.032 0.000 1.144 421 D HN 0.734 nan 8.370 nan 0.000 0.458 422 H N -0.368 118.621 119.070 -0.136 0.000 2.521 422 H HA -0.115 4.442 4.556 0.002 0.000 0.286 422 H C 0.800 176.017 175.328 -0.186 0.000 1.034 422 H CA 1.196 57.132 56.048 -0.186 0.000 1.278 422 H CB -0.459 29.138 29.762 -0.275 0.000 1.386 422 H HN 0.505 nan 8.280 nan 0.000 0.567 423 H N 0.964 119.834 119.070 -0.334 0.000 2.355 423 H HA 0.225 4.782 4.556 0.002 0.000 0.303 423 H C 2.502 177.802 175.328 -0.047 0.000 1.061 423 H CA 1.222 57.163 56.048 -0.180 0.000 1.368 423 H CB -0.260 29.364 29.762 -0.229 0.000 1.412 423 H HN 0.486 nan 8.280 nan 0.000 0.523 424 A N 1.493 124.361 122.820 0.079 0.000 1.877 424 A HA -0.103 4.218 4.320 0.002 0.000 0.216 424 A C 2.677 180.328 177.584 0.111 0.000 1.186 424 A CA 1.871 53.960 52.037 0.086 0.000 0.620 424 A CB -0.873 18.169 19.000 0.071 0.000 0.822 424 A HN 0.421 nan 8.150 nan 0.000 0.443 425 A N -0.170 122.714 122.820 0.107 0.000 1.865 425 A HA -0.148 4.173 4.320 0.002 0.000 0.217 425 A C 2.483 180.161 177.584 0.157 0.000 1.191 425 A CA 2.835 54.955 52.037 0.138 0.000 0.623 425 A CB -1.552 17.517 19.000 0.116 0.000 0.826 425 A HN 0.816 nan 8.150 nan 0.000 0.444 426 T N -2.578 112.053 114.554 0.129 0.000 2.867 426 T HA -0.080 4.271 4.350 0.002 0.000 0.268 426 T C 1.665 176.496 174.700 0.219 0.000 1.057 426 T CA 1.406 63.610 62.100 0.173 0.000 1.136 426 T CB -0.732 68.207 68.868 0.119 0.000 0.874 426 T HN 0.066 nan 8.240 nan 0.000 0.466 427 V N 2.766 122.781 119.914 0.169 0.000 2.343 427 V HA -0.164 3.957 4.120 0.002 0.000 0.247 427 V C 3.205 179.390 176.094 0.153 0.000 1.051 427 V CA 2.032 64.421 62.300 0.148 0.000 1.036 427 V CB -0.964 30.927 31.823 0.113 0.000 0.654 427 V HN 0.805 nan 8.190 nan 0.000 0.451 428 S N -0.299 115.503 115.700 0.169 0.000 2.402 428 S HA -0.191 4.280 4.470 0.002 0.000 0.229 428 S C 1.954 176.681 174.600 0.212 0.000 1.021 428 S CA 1.338 59.638 58.200 0.168 0.000 0.974 428 S CB -0.665 62.638 63.200 0.171 0.000 0.800 428 S HN 0.503 nan 8.310 nan 0.000 0.484 429 F N 2.160 122.175 119.950 0.108 0.000 2.186 429 F HA 0.125 4.653 4.527 0.002 0.000 0.299 429 F C 2.242 178.132 175.800 0.151 0.000 1.090 429 F CA 1.106 59.185 58.000 0.132 0.000 1.307 429 F CB -0.328 38.729 39.000 0.095 0.000 1.019 429 F HN 0.102 nan 8.300 nan 0.000 0.489 430 M N 0.153 119.834 119.600 0.134 0.000 2.117 430 M HA -0.190 4.291 4.480 0.002 0.000 0.262 430 M C 2.215 178.496 176.300 -0.032 0.000 1.065 430 M CA 1.552 56.875 55.300 0.037 0.000 1.114 430 M CB -1.275 31.390 32.600 0.109 0.000 1.361 430 M HN 0.064 nan 8.290 nan 0.000 0.408 431 K N -0.333 120.079 120.400 0.021 0.000 2.097 431 K HA -0.200 4.121 4.320 0.002 0.000 0.206 431 K C 1.963 178.551 176.600 -0.019 0.000 1.049 431 K CA 1.716 58.010 56.287 0.013 0.000 0.933 431 K CB -0.622 31.908 32.500 0.051 0.000 0.717 431 K HN 0.392 nan 8.250 nan 0.000 0.442 432 H N 0.024 119.013 119.070 -0.135 0.000 2.353 432 H HA 0.013 4.570 4.556 0.002 0.000 0.300 432 H C 1.683 176.852 175.328 -0.267 0.000 1.090 432 H CA 2.113 58.054 56.048 -0.178 0.000 1.327 432 H CB -0.168 29.465 29.762 -0.215 0.000 1.383 432 H HN 0.168 nan 8.280 nan 0.000 0.508 433 L N -0.157 120.778 121.223 -0.480 0.000 2.079 433 L HA -0.179 4.162 4.340 0.002 0.000 0.210 433 L C 2.293 179.001 176.870 -0.270 0.000 1.081 433 L CA 1.751 56.327 54.840 -0.440 0.000 0.752 433 L CB -0.461 41.397 42.059 -0.336 0.000 0.896 433 L HN 0.382 nan 8.230 nan 0.000 0.433 434 D N -0.005 120.285 120.400 -0.183 0.000 2.097 434 D HA -0.180 4.461 4.640 0.002 0.000 0.197 434 D C 1.928 178.157 176.300 -0.118 0.000 0.984 434 D CA 1.190 55.122 54.000 -0.113 0.000 0.826 434 D CB 0.025 40.786 40.800 -0.064 0.000 0.973 434 D HN 0.143 nan 8.370 nan 0.000 0.460 435 N N 0.545 119.164 118.700 -0.135 0.000 2.104 435 N HA -0.132 4.609 4.740 0.002 0.000 0.190 435 N C 1.603 177.034 175.510 -0.133 0.000 1.024 435 N CA 0.850 53.841 53.050 -0.098 0.000 0.853 435 N CB -0.270 38.190 38.487 -0.045 0.000 1.008 435 N HN 0.340 nan 8.380 nan 0.000 0.424 436 E N 0.647 120.685 120.200 -0.269 0.000 2.204 436 E HA -0.149 4.202 4.350 0.002 0.000 0.194 436 E C 1.852 178.365 176.600 -0.144 0.000 0.989 436 E CA 0.515 56.764 56.400 -0.252 0.000 0.824 436 E CB -0.055 29.391 29.700 -0.423 0.000 0.756 436 E HN 0.351 nan 8.360 nan 0.000 0.477 437 Q N 1.428 121.152 119.800 -0.128 0.000 2.079 437 Q HA -0.104 4.237 4.340 0.002 0.000 0.200 437 Q C 1.694 177.661 176.000 -0.055 0.000 0.974 437 Q CA 1.639 57.397 55.803 -0.075 0.000 0.840 437 Q CB 0.081 28.779 28.738 -0.066 0.000 0.898 437 Q HN 0.120 nan 8.270 nan 0.000 0.430 438 K N -0.796 119.571 120.400 -0.054 0.000 2.116 438 K HA 0.081 4.402 4.320 0.002 0.000 0.203 438 K C 1.994 178.576 176.600 -0.030 0.000 1.052 438 K CA 0.925 57.190 56.287 -0.037 0.000 0.952 438 K CB -0.094 32.388 32.500 -0.030 0.000 0.729 438 K HN 0.219 nan 8.250 nan 0.000 0.446 439 A N 1.367 124.168 122.820 -0.031 0.000 1.874 439 A HA -0.037 4.284 4.320 0.002 0.000 0.214 439 A C 1.786 179.359 177.584 -0.019 0.000 1.189 439 A CA 1.081 53.111 52.037 -0.012 0.000 0.615 439 A CB -0.007 18.999 19.000 0.011 0.000 0.830 439 A HN 0.137 nan 8.150 nan 0.000 0.443 440 R N -2.262 118.216 120.500 -0.036 0.000 2.509 440 R HA 0.276 4.617 4.340 0.002 0.000 0.297 440 R C 0.795 177.081 176.300 -0.023 0.000 0.951 440 R CA 0.484 56.568 56.100 -0.027 0.000 1.103 440 R CB 0.671 30.951 30.300 -0.033 0.000 1.283 440 R HN 0.678 nan 8.270 nan 0.000 0.534 441 G N 0.898 109.679 108.800 -0.032 0.000 2.147 441 G HA2 -0.195 3.767 3.960 0.002 0.000 0.244 441 G HA3 -0.195 3.767 3.960 0.002 0.000 0.244 441 G C 0.218 175.117 174.900 -0.001 0.000 1.005 441 G CA 0.091 45.173 45.100 -0.030 0.000 0.713 441 G HN 0.724 nan 8.290 nan 0.000 0.515 442 G N -2.457 106.346 108.800 0.004 0.000 2.337 442 G HA2 0.550 4.511 3.960 0.002 0.000 0.298 442 G HA3 0.550 4.511 3.960 0.002 0.000 0.298 442 G C -0.842 174.083 174.900 0.043 0.000 1.335 442 G CA 0.424 45.559 45.100 0.057 0.000 0.875 442 G HN 1.980 nan 8.290 nan 0.000 0.579 443 C N 1.858 121.214 119.300 0.093 0.000 2.924 443 C HA 0.701 5.162 4.460 0.002 0.000 0.400 443 C C -2.613 172.361 174.990 -0.026 0.000 1.032 443 C CA -1.050 57.968 59.018 -0.000 0.000 1.236 443 C CB 1.336 29.008 27.740 -0.114 0.000 1.660 443 C HN 0.725 nan 8.230 nan 0.000 0.510 444 P HA 0.428 nan 4.420 nan 0.000 0.271 444 P C -0.689 176.515 177.300 -0.160 0.000 1.226 444 P CA 0.502 63.239 63.100 -0.604 0.000 0.765 444 P CB 1.190 32.234 31.700 -1.094 0.000 0.835 445 A N 2.689 125.488 122.820 -0.034 0.000 2.455 445 A HA 0.412 4.733 4.320 0.002 0.000 0.300 445 A C -0.988 176.652 177.584 0.094 0.000 1.040 445 A CA -0.560 51.541 52.037 0.106 0.000 0.697 445 A CB 1.282 20.462 19.000 0.299 0.000 1.265 445 A HN 0.437 nan 8.150 nan 0.000 0.407 446 D N 2.004 122.445 120.400 0.068 0.000 2.456 446 D HA 0.132 4.773 4.640 0.002 0.000 0.219 446 D C 0.853 177.273 176.300 0.199 0.000 1.126 446 D CA -0.466 53.601 54.000 0.113 0.000 0.890 446 D CB 0.291 41.096 40.800 0.009 0.000 1.025 446 D HN 0.597 nan 8.370 nan 0.000 0.511 447 W N 4.194 125.537 121.300 0.072 0.000 2.304 447 W HA -0.343 4.318 4.660 0.002 0.000 0.315 447 W C 1.983 178.544 176.519 0.070 0.000 1.233 447 W CA 2.552 59.929 57.345 0.055 0.000 1.261 447 W CB -0.016 29.453 29.460 0.015 0.000 1.150 447 W HN 0.556 nan 8.180 nan 0.000 0.494 448 A N -1.434 121.678 122.820 0.487 0.000 1.972 448 A HA -0.201 4.120 4.320 0.002 0.000 0.219 448 A C 1.507 179.185 177.584 0.156 0.000 1.169 448 A CA 1.649 53.905 52.037 0.365 0.000 0.635 448 A CB -1.271 17.968 19.000 0.398 0.000 0.810 448 A HN 0.534 nan 8.150 nan 0.000 0.446 449 W N -0.835 120.442 121.300 -0.038 0.000 2.630 449 W HA 0.172 4.833 4.660 0.002 0.000 0.271 449 W C 1.877 178.289 176.519 -0.179 0.000 1.244 449 W CA -0.055 57.244 57.345 -0.078 0.000 1.353 449 W CB -0.087 29.354 29.460 -0.033 0.000 1.080 449 W HN 0.138 nan 8.180 nan 0.000 0.594 450 I N -0.152 120.386 120.570 -0.054 0.000 2.286 450 I HA -0.092 4.079 4.170 0.002 0.000 0.245 450 I C 0.703 176.625 176.117 -0.324 0.000 1.104 450 I CA 0.810 61.945 61.300 -0.274 0.000 1.397 450 I CB -1.562 36.206 38.000 -0.385 0.000 1.072 450 I HN -0.418 nan 8.210 nan 0.000 0.417 451 V N 4.842 124.480 119.914 -0.459 0.000 2.479 451 V HA 0.070 4.191 4.120 0.002 0.000 0.281 451 V C -1.682 174.250 176.094 -0.270 0.000 1.031 451 V CA -1.072 60.955 62.300 -0.455 0.000 1.038 451 V CB 0.108 31.430 31.823 -0.836 0.000 0.981 451 V HN 0.184 nan 8.190 nan 0.000 0.478 452 P HA 0.111 nan 4.420 nan 0.000 0.268 452 P C -1.978 175.209 177.300 -0.188 0.000 1.208 452 P CA -1.266 61.724 63.100 -0.184 0.000 0.777 452 P CB 0.123 31.724 31.700 -0.166 0.000 0.875 453 P HA -0.010 nan 4.420 nan 0.000 0.230 453 P C 0.475 177.672 177.300 -0.172 0.000 1.158 453 P CA 1.178 64.168 63.100 -0.184 0.000 0.769 453 P CB 0.043 31.622 31.700 -0.201 0.000 0.807 454 I N -6.819 113.616 120.570 -0.224 0.000 2.865 454 I HA 0.446 4.617 4.170 0.002 0.000 0.302 454 I C -0.118 175.904 176.117 -0.159 0.000 1.140 454 I CA -1.284 59.901 61.300 -0.193 0.000 1.021 454 I CB 1.980 39.837 38.000 -0.239 0.000 1.233 454 I HN -0.402 nan 8.210 nan 0.000 0.427 455 S N 2.052 117.706 115.700 -0.076 0.000 3.581 455 S HA -0.197 4.274 4.470 0.002 0.000 0.354 455 S C 1.366 175.951 174.600 -0.025 0.000 1.059 455 S CA 0.789 58.983 58.200 -0.010 0.000 1.060 455 S CB -1.747 61.520 63.200 0.111 0.000 0.908 455 S HN 1.272 nan 8.310 nan 0.000 0.475 456 G N 2.334 111.092 108.800 -0.070 0.000 2.599 456 G HA2 -0.321 3.640 3.960 0.002 0.000 0.219 456 G HA3 -0.321 3.640 3.960 0.002 0.000 0.219 456 G C 1.454 176.224 174.900 -0.217 0.000 1.193 456 G CA 1.525 46.596 45.100 -0.049 0.000 0.778 456 G HN 1.287 nan 8.290 nan 0.000 0.589 457 S N -0.168 115.123 115.700 -0.682 0.000 2.555 457 S HA 0.141 4.612 4.470 0.002 0.000 0.230 457 S C 1.973 176.503 174.600 -0.117 0.000 0.978 457 S CA 0.546 58.214 58.200 -0.887 0.000 0.934 457 S CB -0.004 62.510 63.200 -1.143 0.000 0.766 457 S HN 0.059 nan 8.310 nan 0.000 0.533 458 L N 2.517 123.724 121.223 -0.025 0.000 2.478 458 L HA 0.225 4.566 4.340 0.002 0.000 0.223 458 L C 1.384 178.378 176.870 0.206 0.000 1.140 458 L CA 0.796 55.706 54.840 0.116 0.000 0.842 458 L CB -1.033 41.126 42.059 0.167 0.000 0.953 458 L HN 0.608 nan 8.230 nan 0.000 0.452 459 T N -4.298 110.368 114.554 0.186 0.000 2.929 459 T HA 0.352 4.703 4.350 0.002 0.000 0.284 459 T C -1.641 173.221 174.700 0.270 0.000 1.014 459 T CA -1.882 60.352 62.100 0.222 0.000 1.051 459 T CB 1.824 70.781 68.868 0.148 0.000 1.028 459 T HN -0.131 nan 8.240 nan 0.000 0.485 460 P HA -0.085 nan 4.420 nan 0.000 0.220 460 P C 1.784 179.276 177.300 0.320 0.000 1.148 460 P CA 1.021 64.312 63.100 0.318 0.000 0.803 460 P CB -0.324 31.512 31.700 0.226 0.000 0.782 461 V N -3.666 116.387 119.914 0.231 0.000 2.626 461 V HA -0.193 3.929 4.120 0.002 0.000 0.252 461 V C 2.412 178.589 176.094 0.138 0.000 1.067 461 V CA 1.177 63.583 62.300 0.175 0.000 1.081 461 V CB -2.255 29.601 31.823 0.056 0.000 0.686 461 V HN -0.106 nan 8.190 nan 0.000 0.468 462 F N 1.754 121.669 119.950 -0.058 0.000 2.126 462 F HA -0.190 4.338 4.527 0.001 0.000 0.299 462 F C 2.539 178.440 175.800 0.167 0.000 1.096 462 F CA 2.325 60.300 58.000 -0.041 0.000 1.255 462 F CB -0.270 38.590 39.000 -0.234 0.000 0.997 462 F HN 0.254 nan 8.300 nan 0.000 0.479 463 H N -0.933 118.496 119.070 0.598 0.000 2.547 463 H HA 0.061 4.618 4.556 0.002 0.000 0.266 463 H C 0.389 175.982 175.328 0.442 0.000 0.988 463 H CA 0.368 56.718 56.048 0.503 0.000 1.147 463 H CB -0.281 29.739 29.762 0.431 0.000 1.365 463 H HN 0.269 nan 8.280 nan 0.000 0.589 464 Q N 1.983 122.064 119.800 0.468 0.000 2.303 464 Q HA 0.145 4.486 4.340 0.002 0.000 0.257 464 Q C -0.519 175.730 176.000 0.415 0.000 0.941 464 Q CA -0.361 55.673 55.803 0.385 0.000 0.931 464 Q CB 0.794 29.717 28.738 0.308 0.000 1.215 464 Q HN 0.242 nan 8.270 nan 0.000 0.437 465 E N 3.396 123.795 120.200 0.332 0.000 2.390 465 E HA 0.314 4.665 4.350 0.002 0.000 0.261 465 E C -0.506 176.250 176.600 0.261 0.000 1.076 465 E CA 0.120 56.680 56.400 0.267 0.000 0.905 465 E CB 0.897 30.729 29.700 0.219 0.000 0.984 465 E HN 0.597 nan 8.360 nan 0.000 0.427 466 M N 1.364 121.119 119.600 0.259 0.000 2.501 466 M HA 0.349 4.830 4.480 0.002 0.000 0.293 466 M C -1.193 175.228 176.300 0.202 0.000 1.192 466 M CA -0.972 54.480 55.300 0.253 0.000 0.886 466 M CB 2.404 35.206 32.600 0.335 0.000 1.710 466 M HN 0.157 nan 8.290 nan 0.000 0.457 467 V N 1.936 121.975 119.914 0.209 0.000 2.435 467 V HA 0.499 4.620 4.120 0.002 0.000 0.290 467 V C -0.617 175.607 176.094 0.216 0.000 1.030 467 V CA -0.677 61.774 62.300 0.251 0.000 0.881 467 V CB 1.677 33.711 31.823 0.350 0.000 0.983 467 V HN 0.810 nan 8.190 nan 0.000 0.445 468 N N 3.429 122.251 118.700 0.202 0.000 2.342 468 N HA 0.668 5.409 4.740 0.002 0.000 0.293 468 N C -1.216 174.394 175.510 0.166 0.000 1.026 468 N CA -0.468 52.610 53.050 0.048 0.000 0.857 468 N CB 1.513 40.029 38.487 0.049 0.000 1.256 468 N HN 0.665 nan 8.380 nan 0.000 0.484 469 Y N 0.186 120.505 120.300 0.033 0.000 2.725 469 Y HA 0.593 5.144 4.550 0.002 0.000 0.333 469 Y C -1.020 174.884 175.900 0.007 0.000 1.242 469 Y CA -1.263 56.849 58.100 0.021 0.000 1.059 469 Y CB 0.983 39.459 38.460 0.027 0.000 1.306 469 Y HN 0.179 nan 8.280 nan 0.000 0.454 470 I N 3.203 123.873 120.570 0.166 0.000 2.330 470 I HA 0.412 4.583 4.170 0.002 0.000 0.289 470 I C -0.786 175.397 176.117 0.109 0.000 1.001 470 I CA -0.451 60.889 61.300 0.065 0.000 1.193 470 I CB 1.096 39.120 38.000 0.039 0.000 1.345 470 I HN 0.399 nan 8.210 nan 0.000 0.461 471 L N 4.655 125.912 121.223 0.056 0.000 2.322 471 L HA 0.608 4.949 4.340 0.002 0.000 0.269 471 L C 0.022 176.897 176.870 0.009 0.000 1.012 471 L CA -0.585 54.294 54.840 0.065 0.000 0.815 471 L CB 2.044 44.140 42.059 0.062 0.000 1.295 471 L HN 0.505 nan 8.230 nan 0.000 0.438 472 S N 0.736 116.450 115.700 0.023 0.000 2.526 472 S HA 0.607 5.078 4.470 0.002 0.000 0.293 472 S C -2.612 172.009 174.600 0.035 0.000 1.092 472 S CA -1.384 56.816 58.200 0.000 0.000 0.980 472 S CB 1.914 65.127 63.200 0.022 0.000 1.048 472 S HN 0.225 nan 8.310 nan 0.000 0.483 473 P HA 0.315 nan 4.420 nan 0.000 0.267 473 P C -1.348 175.840 177.300 -0.187 0.000 1.195 473 P CA 0.124 63.139 63.100 -0.142 0.000 0.773 473 P CB 0.415 31.989 31.700 -0.210 0.000 0.837 474 A N 1.941 124.610 122.820 -0.252 0.000 2.572 474 A HA 0.686 5.007 4.320 0.002 0.000 0.295 474 A C -1.547 175.832 177.584 -0.342 0.000 1.072 474 A CA -0.497 51.399 52.037 -0.234 0.000 0.691 474 A CB 0.884 19.811 19.000 -0.121 0.000 1.291 474 A HN 0.338 nan 8.150 nan 0.000 0.404 475 F N 1.173 121.024 119.950 -0.164 0.000 2.415 475 F HA 0.657 5.185 4.527 0.002 0.000 0.348 475 F C 0.953 176.626 175.800 -0.211 0.000 1.119 475 F CA 0.146 58.041 58.000 -0.176 0.000 1.069 475 F CB 1.796 40.638 39.000 -0.262 0.000 1.124 475 F HN 0.583 nan 8.300 nan 0.000 0.472 476 R N 1.597 122.094 120.500 -0.005 0.000 2.912 476 R HA 0.505 4.846 4.340 0.002 0.000 0.262 476 R C -1.612 174.630 176.300 -0.097 0.000 1.057 476 R CA -1.219 54.808 56.100 -0.121 0.000 0.981 476 R CB 1.523 31.796 30.300 -0.045 0.000 1.201 476 R HN 0.383 nan 8.270 nan 0.000 0.484 477 Y N 1.184 121.504 120.300 0.034 0.000 2.307 477 Y HA 0.216 4.767 4.550 0.002 0.000 0.324 477 Y C 0.475 176.375 175.900 -0.000 0.000 1.238 477 Y CA -0.261 57.851 58.100 0.020 0.000 1.280 477 Y CB 1.077 39.536 38.460 -0.002 0.000 1.248 477 Y HN 0.452 nan 8.280 nan 0.000 0.508 478 Q N 1.430 121.326 119.800 0.160 0.000 2.501 478 Q HA 0.655 4.996 4.340 0.002 0.000 0.288 478 Q C -3.127 172.849 176.000 -0.039 0.000 1.051 478 Q CA -2.515 53.314 55.803 0.044 0.000 0.788 478 Q CB 2.120 30.876 28.738 0.031 0.000 1.469 478 Q HN 0.261 nan 8.270 nan 0.000 0.416 479 P HA 0.066 nan 4.420 nan 0.000 0.269 479 P C -1.036 176.061 177.300 -0.339 0.000 1.217 479 P CA -0.007 62.973 63.100 -0.200 0.000 0.783 479 P CB 0.354 31.950 31.700 -0.174 0.000 0.898 480 D N 2.694 122.759 120.400 -0.558 0.000 2.351 480 D HA 0.046 4.687 4.640 0.002 0.000 0.251 480 D C -1.062 174.657 176.300 -0.969 0.000 1.137 480 D CA -1.356 52.022 54.000 -1.037 0.000 0.879 480 D CB 0.286 40.054 40.800 -1.719 0.000 1.181 480 D HN 0.285 nan 8.370 nan 0.000 0.448 481 P HA -0.070 nan 4.420 nan 0.000 0.231 481 P C 0.010 177.021 177.300 -0.481 0.000 1.158 481 P CA 0.656 63.420 63.100 -0.559 0.000 0.763 481 P CB 0.062 31.491 31.700 -0.451 0.000 0.805 482 W N 0.000 120.901 121.300 -0.664 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.093 57.345 -0.420 0.000 1.226 482 W CB 0.000 29.126 29.460 -0.557 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535