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 2g67_1_A DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.134 176.117 0.029 0.000 1.063 56 I CA 0.000 61.314 61.300 0.023 0.000 1.566 56 I CB 0.000 38.018 38.000 0.030 0.000 1.214 57 S N 3.607 119.325 115.700 0.030 0.000 2.646 57 S HA 0.501 4.970 4.470 -0.001 0.000 0.276 57 S C -0.089 174.550 174.600 0.065 0.000 1.222 57 S CA -0.892 57.328 58.200 0.034 0.000 1.014 57 S CB 1.300 64.509 63.200 0.014 0.000 0.991 57 S HN 0.547 nan 8.310 nan 0.000 0.533 58 N N 0.585 119.328 118.700 0.071 0.000 2.237 58 N HA -0.106 4.633 4.740 -0.001 0.000 0.245 58 N C -0.605 175.007 175.510 0.170 0.000 1.239 58 N CA 0.517 53.636 53.050 0.115 0.000 0.842 58 N CB -0.170 38.374 38.487 0.094 0.000 1.089 58 N HN 0.751 nan 8.380 nan 0.000 0.454 59 Y N 2.717 123.063 120.300 0.075 0.000 2.889 59 Y HA 0.181 4.731 4.550 -0.001 0.000 0.367 59 Y C 0.561 176.585 175.900 0.206 0.000 1.197 59 Y CA -0.112 58.046 58.100 0.096 0.000 1.993 59 Y CB -0.742 37.819 38.460 0.169 0.000 2.112 59 Y HN 0.344 nan 8.280 nan 0.000 0.413 60 I N -2.511 118.108 120.570 0.080 0.000 3.352 60 I HA 0.500 4.669 4.170 -0.001 0.000 0.316 60 I C -0.812 175.285 176.117 -0.034 0.000 1.214 60 I CA -1.582 59.798 61.300 0.134 0.000 0.934 60 I CB 1.325 39.423 38.000 0.165 0.000 1.310 60 I HN -0.209 nan 8.210 nan 0.000 0.475 61 N N 1.800 120.504 118.700 0.007 0.000 2.407 61 N HA 0.104 4.843 4.740 -0.001 0.000 0.250 61 N C 0.758 176.247 175.510 -0.036 0.000 1.236 61 N CA 0.222 53.242 53.050 -0.050 0.000 0.879 61 N CB 0.938 39.427 38.487 0.004 0.000 1.088 61 N HN 0.674 nan 8.380 nan 0.000 0.450 62 T N 1.351 115.865 114.554 -0.067 0.000 2.777 62 T HA 0.048 4.397 4.350 -0.001 0.000 0.266 62 T C 1.051 175.736 174.700 -0.024 0.000 1.040 62 T CA 0.801 62.871 62.100 -0.050 0.000 1.141 62 T CB 0.041 68.863 68.868 -0.075 0.000 0.868 62 T HN 0.427 nan 8.240 nan 0.000 0.444 63 I N 4.129 124.687 120.570 -0.021 0.000 2.287 63 I HA 0.229 4.399 4.170 -0.001 0.000 0.290 63 I C -2.033 174.103 176.117 0.031 0.000 1.069 63 I CA -2.482 58.820 61.300 0.004 0.000 1.237 63 I CB 0.917 38.919 38.000 0.004 0.000 1.418 63 I HN 0.048 nan 8.210 nan 0.000 0.481 64 P HA -0.091 nan 4.420 nan 0.000 0.271 64 P C 0.907 178.249 177.300 0.069 0.000 1.233 64 P CA -0.038 63.096 63.100 0.056 0.000 0.795 64 P CB 1.493 33.223 31.700 0.050 0.000 0.936 65 V N 0.609 120.572 119.914 0.082 0.000 2.548 65 V HA -0.195 3.925 4.120 -0.001 0.000 0.249 65 V C 2.024 178.165 176.094 0.077 0.000 1.055 65 V CA 1.955 64.309 62.300 0.090 0.000 1.065 65 V CB -1.189 30.696 31.823 0.102 0.000 0.681 65 V HN 0.450 nan 8.190 nan 0.000 0.462 66 E N 0.123 120.363 120.200 0.067 0.000 2.409 66 E HA -0.139 4.211 4.350 -0.001 0.000 0.198 66 E C 1.806 178.438 176.600 0.054 0.000 1.024 66 E CA 1.066 57.500 56.400 0.057 0.000 0.861 66 E CB -0.027 29.702 29.700 0.049 0.000 0.788 66 E HN 0.713 nan 8.360 nan 0.000 0.521 67 E N -0.027 120.206 120.200 0.056 0.000 2.526 67 E HA 0.030 4.379 4.350 -0.001 0.000 0.208 67 E C 0.055 176.695 176.600 0.067 0.000 0.997 67 E CA -0.179 56.252 56.400 0.052 0.000 0.961 67 E CB 0.457 30.180 29.700 0.038 0.000 1.030 67 E HN 0.155 nan 8.360 nan 0.000 0.483 68 Q N 3.039 122.889 119.800 0.084 0.000 2.296 68 Q HA 0.133 4.473 4.340 -0.001 0.000 0.263 68 Q C -2.161 173.918 176.000 0.132 0.000 1.026 68 Q CA -1.892 53.981 55.803 0.116 0.000 0.912 68 Q CB 0.642 29.453 28.738 0.121 0.000 1.198 68 Q HN -0.068 nan 8.270 nan 0.000 0.407 69 P HA 0.089 nan 4.420 nan 0.000 0.274 69 P C -0.578 176.816 177.300 0.157 0.000 1.246 69 P CA -0.302 62.898 63.100 0.167 0.000 0.795 69 P CB 0.748 32.579 31.700 0.218 0.000 1.006 70 E N 0.340 120.591 120.200 0.084 0.000 2.442 70 E HA -0.051 4.298 4.350 -0.001 0.000 0.262 70 E C -0.548 176.003 176.600 -0.081 0.000 1.004 70 E CA 0.207 56.625 56.400 0.031 0.000 0.928 70 E CB -0.069 29.631 29.700 0.001 0.000 0.937 70 E HN 0.377 nan 8.360 nan 0.000 0.446 71 Y N 5.438 125.618 120.300 -0.200 0.000 2.436 71 Y HA 0.105 4.655 4.550 -0.001 0.000 0.336 71 Y C -1.199 174.457 175.900 -0.406 0.000 1.049 71 Y CA -1.726 56.119 58.100 -0.425 0.000 1.294 71 Y CB 0.896 39.220 38.460 -0.226 0.000 1.179 71 Y HN 0.373 nan 8.280 nan 0.000 0.520 72 P HA 0.058 nan 4.420 nan 0.000 0.225 72 P C 0.457 177.498 177.300 -0.431 0.000 1.156 72 P CA 0.682 63.368 63.100 -0.690 0.000 0.787 72 P CB 0.401 31.670 31.700 -0.718 0.000 0.802 73 G N 0.492 108.922 108.800 -0.618 0.000 2.535 73 G HA2 0.190 4.150 3.960 -0.001 0.000 0.303 73 G HA3 0.190 4.150 3.960 -0.001 0.000 0.303 73 G C -0.613 174.472 174.900 0.307 0.000 1.237 73 G CA -0.412 44.811 45.100 0.206 0.000 0.986 73 G HN 0.048 nan 8.290 nan 0.000 0.494 74 N N 0.664 119.509 118.700 0.243 0.000 2.437 74 N HA 0.132 4.872 4.740 -0.001 0.000 0.243 74 N C 1.612 177.133 175.510 0.017 0.000 1.041 74 N CA -0.343 52.717 53.050 0.017 0.000 0.940 74 N CB 0.876 39.204 38.487 -0.266 0.000 1.133 74 N HN 0.380 nan 8.380 nan 0.000 0.506 75 L N 1.566 122.840 121.223 0.086 0.000 1.971 75 L HA -0.156 4.183 4.340 -0.001 0.000 0.215 75 L C 2.214 179.072 176.870 -0.020 0.000 1.072 75 L CA 1.216 56.067 54.840 0.018 0.000 0.758 75 L CB -0.286 41.748 42.059 -0.042 0.000 0.889 75 L HN 0.569 nan 8.230 nan 0.000 0.433 76 E N 0.348 120.525 120.200 -0.038 0.000 2.118 76 E HA -0.242 4.107 4.350 -0.001 0.000 0.195 76 E C 2.110 178.663 176.600 -0.078 0.000 0.992 76 E CA 1.319 57.694 56.400 -0.043 0.000 0.804 76 E CB -0.086 29.589 29.700 -0.041 0.000 0.741 76 E HN 0.247 nan 8.360 nan 0.000 0.458 77 L N 1.268 122.392 121.223 -0.165 0.000 2.313 77 L HA -0.034 4.305 4.340 -0.001 0.000 0.214 77 L C 1.782 178.514 176.870 -0.230 0.000 1.119 77 L CA 1.443 56.130 54.840 -0.254 0.000 0.809 77 L CB -0.169 41.625 42.059 -0.442 0.000 0.933 77 L HN 0.032 nan 8.230 nan 0.000 0.449 78 E N -1.188 118.918 120.200 -0.158 0.000 2.170 78 E HA -0.169 4.181 4.350 -0.001 0.000 0.191 78 E C 2.009 178.644 176.600 0.058 0.000 0.981 78 E CA 0.239 56.638 56.400 -0.001 0.000 0.830 78 E CB 0.049 29.821 29.700 0.120 0.000 0.775 78 E HN 0.175 nan 8.360 nan 0.000 0.470 79 R N 1.751 122.277 120.500 0.044 0.000 2.075 79 R HA -0.039 4.301 4.340 -0.001 0.000 0.232 79 R C 1.952 178.314 176.300 0.104 0.000 1.126 79 R CA 1.411 57.565 56.100 0.089 0.000 0.963 79 R CB -0.219 30.131 30.300 0.083 0.000 0.858 79 R HN 0.020 nan 8.270 nan 0.000 0.435 80 R N -0.339 120.196 120.500 0.059 0.000 2.073 80 R HA -0.049 4.291 4.340 -0.001 0.000 0.234 80 R C 2.358 178.767 176.300 0.181 0.000 1.134 80 R CA 1.955 58.105 56.100 0.085 0.000 0.952 80 R CB -0.489 29.799 30.300 -0.019 0.000 0.850 80 R HN 0.237 nan 8.270 nan 0.000 0.433 81 I N 0.064 120.699 120.570 0.109 0.000 2.163 81 I HA -0.319 3.850 4.170 -0.001 0.000 0.243 81 I C 2.745 179.034 176.117 0.287 0.000 1.085 81 I CA 1.351 62.801 61.300 0.250 0.000 1.347 81 I CB -0.302 37.779 38.000 0.136 0.000 1.044 81 I HN 0.153 nan 8.210 nan 0.000 0.408 82 R N 0.510 121.125 120.500 0.191 0.000 2.083 82 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 82 R C 2.511 178.881 176.300 0.116 0.000 1.137 82 R CA 1.909 58.102 56.100 0.156 0.000 0.951 82 R CB -0.252 30.122 30.300 0.123 0.000 0.851 82 R HN 0.149 nan 8.270 nan 0.000 0.434 83 S N -0.341 115.427 115.700 0.113 0.000 2.400 83 S HA -0.157 4.313 4.470 -0.001 0.000 0.232 83 S C 1.752 176.448 174.600 0.159 0.000 1.025 83 S CA 1.239 59.483 58.200 0.074 0.000 0.993 83 S CB -0.152 63.153 63.200 0.176 0.000 0.808 83 S HN 0.582 nan 8.310 nan 0.000 0.478 84 A N 0.792 123.749 122.820 0.229 0.000 1.929 84 A HA 0.081 4.401 4.320 -0.001 0.000 0.216 84 A C 1.990 179.709 177.584 0.225 0.000 1.176 84 A CA 0.821 52.979 52.037 0.201 0.000 0.628 84 A CB -0.490 18.563 19.000 0.088 0.000 0.816 84 A HN 0.525 nan 8.150 nan 0.000 0.444 85 I N -0.776 119.924 120.570 0.218 0.000 2.179 85 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 85 I C 2.762 179.035 176.117 0.259 0.000 1.088 85 I CA 1.298 62.732 61.300 0.224 0.000 1.357 85 I CB -0.340 37.808 38.000 0.245 0.000 1.051 85 I HN 0.278 nan 8.210 nan 0.000 0.409 86 R N -0.037 120.574 120.500 0.185 0.000 2.091 86 R HA -0.235 4.104 4.340 -0.001 0.000 0.238 86 R C 2.251 178.635 176.300 0.139 0.000 1.136 86 R CA 1.926 58.084 56.100 0.097 0.000 0.959 86 R CB -0.515 29.623 30.300 -0.270 0.000 0.856 86 R HN 0.571 nan 8.270 nan 0.000 0.437 87 W N 2.110 123.414 121.300 0.006 0.000 2.355 87 W HA -0.161 4.498 4.660 -0.001 0.000 0.309 87 W C 1.219 177.761 176.519 0.037 0.000 1.206 87 W CA 1.280 58.639 57.345 0.025 0.000 1.284 87 W CB -0.341 29.137 29.460 0.029 0.000 1.145 87 W HN 0.107 nan 8.180 nan 0.000 0.502 88 N N 0.900 119.720 118.700 0.199 0.000 2.223 88 N HA -0.145 4.595 4.740 -0.001 0.000 0.185 88 N C 1.817 177.308 175.510 -0.032 0.000 1.016 88 N CA 1.932 55.053 53.050 0.118 0.000 0.863 88 N CB -0.813 37.767 38.487 0.155 0.000 0.983 88 N HN 0.192 nan 8.380 nan 0.000 0.429 89 A N 0.948 123.753 122.820 -0.026 0.000 1.930 89 A HA 0.000 4.320 4.320 -0.001 0.000 0.217 89 A C 2.318 179.814 177.584 -0.146 0.000 1.175 89 A CA 0.685 52.666 52.037 -0.094 0.000 0.627 89 A CB -0.454 18.548 19.000 0.003 0.000 0.815 89 A HN 0.179 nan 8.150 nan 0.000 0.443 90 I N -0.673 119.807 120.570 -0.149 0.000 2.252 90 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 90 I C 2.449 178.363 176.117 -0.338 0.000 1.102 90 I CA 0.938 62.106 61.300 -0.219 0.000 1.385 90 I CB -0.219 37.632 38.000 -0.248 0.000 1.064 90 I HN 0.255 nan 8.210 nan 0.000 0.414 91 M N -0.074 119.251 119.600 -0.457 0.000 2.159 91 M HA -0.147 4.333 4.480 -0.001 0.000 0.263 91 M C 2.377 178.487 176.300 -0.316 0.000 1.063 91 M CA 1.765 56.773 55.300 -0.487 0.000 1.110 91 M CB -1.596 30.635 32.600 -0.614 0.000 1.374 91 M HN 0.211 nan 8.290 nan 0.000 0.411 92 T N 0.954 115.384 114.554 -0.207 0.000 2.674 92 T HA -0.088 4.262 4.350 -0.001 0.000 0.265 92 T C 2.085 176.571 174.700 -0.357 0.000 1.039 92 T CA 1.568 63.522 62.100 -0.243 0.000 1.150 92 T CB -0.391 68.227 68.868 -0.418 0.000 0.864 92 T HN 0.166 nan 8.240 nan 0.000 0.427 93 V N 1.521 121.203 119.914 -0.387 0.000 2.261 93 V HA -0.106 4.013 4.120 -0.001 0.000 0.246 93 V C 2.557 178.590 176.094 -0.102 0.000 1.047 93 V CA 1.458 63.627 62.300 -0.219 0.000 1.015 93 V CB -0.817 30.920 31.823 -0.143 0.000 0.642 93 V HN 0.399 nan 8.190 nan 0.000 0.446 94 L N -0.521 120.616 121.223 -0.143 0.000 2.042 94 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 94 L C 2.879 179.688 176.870 -0.102 0.000 1.076 94 L CA 1.745 56.513 54.840 -0.120 0.000 0.749 94 L CB -0.515 41.443 42.059 -0.169 0.000 0.893 94 L HN 0.272 nan 8.230 nan 0.000 0.432 95 R N -0.576 119.845 120.500 -0.131 0.000 2.115 95 R HA -0.116 4.224 4.340 -0.001 0.000 0.230 95 R C 2.341 178.626 176.300 -0.025 0.000 1.111 95 R CA 1.182 57.224 56.100 -0.097 0.000 0.976 95 R CB -0.341 29.882 30.300 -0.128 0.000 0.870 95 R HN 0.358 nan 8.270 nan 0.000 0.445 96 A N 0.433 123.264 122.820 0.018 0.000 1.930 96 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 96 A C 2.191 179.804 177.584 0.048 0.000 1.175 96 A CA 1.406 53.500 52.037 0.096 0.000 0.627 96 A CB -0.274 18.896 19.000 0.283 0.000 0.815 96 A HN 0.181 nan 8.150 nan 0.000 0.443 97 S N -0.105 115.607 115.700 0.021 0.000 2.356 97 S HA -0.174 4.295 4.470 -0.001 0.000 0.223 97 S C 1.925 176.523 174.600 -0.003 0.000 1.032 97 S CA 1.668 59.871 58.200 0.005 0.000 1.005 97 S CB -0.280 62.914 63.200 -0.010 0.000 0.867 97 S HN 0.621 nan 8.310 nan 0.000 0.449 98 K N 1.122 121.514 120.400 -0.014 0.000 2.127 98 K HA -0.174 4.145 4.320 -0.001 0.000 0.208 98 K C 1.955 178.550 176.600 -0.007 0.000 1.047 98 K CA 1.348 57.626 56.287 -0.015 0.000 0.927 98 K CB -0.173 32.311 32.500 -0.026 0.000 0.716 98 K HN 0.319 nan 8.250 nan 0.000 0.450 99 K N 0.482 120.882 120.400 -0.001 0.000 2.211 99 K HA -0.174 4.146 4.320 -0.001 0.000 0.204 99 K C 0.394 176.994 176.600 -0.000 0.000 1.047 99 K CA 1.137 57.424 56.287 0.001 0.000 0.935 99 K CB -0.193 32.311 32.500 0.007 0.000 0.728 99 K HN 0.134 nan 8.250 nan 0.000 0.452 100 D N -0.155 120.244 120.400 -0.001 0.000 2.723 100 D HA -0.164 4.476 4.640 -0.001 0.000 0.236 100 D C -0.550 175.749 176.300 -0.003 0.000 1.138 100 D CA 0.490 54.489 54.000 -0.002 0.000 0.676 100 D CB -1.126 39.672 40.800 -0.003 0.000 1.069 100 D HN 0.223 nan 8.370 nan 0.000 0.430 101 L N 0.280 121.500 121.223 -0.004 0.000 2.965 101 L HA 0.225 4.564 4.340 -0.001 0.000 0.254 101 L C 0.676 177.538 176.870 -0.014 0.000 1.220 101 L CA -0.479 54.356 54.840 -0.009 0.000 1.023 101 L CB 0.273 42.325 42.059 -0.011 0.000 1.355 101 L HN -0.022 nan 8.230 nan 0.000 0.545 102 E N 0.708 120.901 120.200 -0.010 0.000 2.269 102 E HA -0.233 4.116 4.350 -0.001 0.000 0.223 102 E C 0.954 177.539 176.600 -0.024 0.000 1.244 102 E CA 0.496 56.888 56.400 -0.013 0.000 0.713 102 E CB -1.456 28.238 29.700 -0.010 0.000 1.178 102 E HN 0.554 nan 8.360 nan 0.000 0.370 103 L N -1.137 120.071 121.223 -0.026 0.000 2.179 103 L HA 0.014 4.353 4.340 -0.001 0.000 0.208 103 L C 1.595 178.422 176.870 -0.071 0.000 1.096 103 L CA 0.968 55.775 54.840 -0.055 0.000 0.779 103 L CB -0.319 41.711 42.059 -0.049 0.000 0.922 103 L HN 0.538 nan 8.230 nan 0.000 0.443 104 G N -0.498 108.281 108.800 -0.034 0.000 2.632 104 G HA2 0.186 4.146 3.960 -0.001 0.000 0.224 104 G HA3 0.186 4.146 3.960 -0.001 0.000 0.224 104 G C 0.031 174.924 174.900 -0.012 0.000 1.341 104 G CA -0.403 44.664 45.100 -0.055 0.000 0.880 104 G HN 0.887 nan 8.290 nan 0.000 0.566 105 G N -1.938 106.792 108.800 -0.117 0.000 2.525 105 G HA2 0.513 4.472 3.960 -0.001 0.000 0.685 105 G HA3 0.513 4.472 3.960 -0.001 0.000 0.685 105 G C -0.757 174.005 174.900 -0.229 0.000 1.285 105 G CA 0.369 45.493 45.100 0.040 0.000 0.849 105 G HN 1.576 nan 8.290 nan 0.000 0.653 106 H N 0.308 119.519 119.070 0.236 0.000 2.754 106 H HA 0.775 5.330 4.556 -0.001 0.000 0.352 106 H C 1.025 176.441 175.328 0.146 0.000 1.213 106 H CA -0.433 55.729 56.048 0.190 0.000 1.244 106 H CB 1.861 31.767 29.762 0.241 0.000 1.843 106 H HN 0.537 nan 8.280 nan 0.000 0.587 107 M N -0.595 119.182 119.600 0.294 0.000 1.943 107 M HA 0.165 4.645 4.480 -0.001 0.000 0.186 107 M C 2.160 178.623 176.300 0.271 0.000 1.568 107 M CA 0.596 56.035 55.300 0.232 0.000 0.920 107 M CB 0.013 32.697 32.600 0.139 0.000 1.543 107 M HN 0.546 nan 8.290 nan 0.000 0.584 108 A N 0.554 123.522 122.820 0.246 0.000 1.927 108 A HA -0.214 4.105 4.320 -0.001 0.000 0.220 108 A C 2.201 179.938 177.584 0.256 0.000 1.185 108 A CA 2.685 54.863 52.037 0.235 0.000 0.639 108 A CB -1.034 18.089 19.000 0.205 0.000 0.820 108 A HN 0.511 nan 8.150 nan 0.000 0.451 109 S N -1.529 114.339 115.700 0.280 0.000 2.359 109 S HA -0.205 4.265 4.470 -0.001 0.000 0.222 109 S C 1.789 176.591 174.600 0.337 0.000 1.038 109 S CA 1.909 60.286 58.200 0.295 0.000 1.051 109 S CB -0.537 62.852 63.200 0.316 0.000 0.944 109 S HN 0.616 nan 8.310 nan 0.000 0.433 110 F N 2.462 122.513 119.950 0.169 0.000 2.102 110 F HA -0.007 4.519 4.527 -0.001 0.000 0.298 110 F C 2.598 178.503 175.800 0.175 0.000 1.105 110 F CA 1.795 59.876 58.000 0.135 0.000 1.239 110 F CB -1.009 38.032 39.000 0.069 0.000 0.991 110 F HN 0.227 nan 8.300 nan 0.000 0.474 111 Q N 0.060 119.930 119.800 0.117 0.000 2.173 111 Q HA -0.231 4.108 4.340 -0.001 0.000 0.208 111 Q C 2.509 178.599 176.000 0.150 0.000 0.989 111 Q CA 2.068 57.915 55.803 0.073 0.000 0.872 111 Q CB -1.109 27.766 28.738 0.228 0.000 0.909 111 Q HN 0.554 nan 8.270 nan 0.000 0.420 112 S N -0.750 115.066 115.700 0.194 0.000 2.527 112 S HA -0.002 4.468 4.470 -0.001 0.000 0.222 112 S C 1.542 176.194 174.600 0.085 0.000 0.985 112 S CA 0.863 59.186 58.200 0.205 0.000 0.921 112 S CB 0.123 63.435 63.200 0.188 0.000 0.772 112 S HN 0.319 nan 8.310 nan 0.000 0.529 113 S N -0.780 114.981 115.700 0.100 0.000 2.733 113 S HA 0.593 5.063 4.470 -0.001 0.000 0.247 113 S C 1.690 176.410 174.600 0.200 0.000 1.043 113 S CA 0.176 58.470 58.200 0.157 0.000 1.066 113 S CB 0.037 63.446 63.200 0.349 0.000 1.045 113 S HN 0.563 nan 8.310 nan 0.000 0.586 114 A N 2.643 125.407 122.820 -0.093 0.000 1.917 114 A HA -0.104 4.215 4.320 -0.001 0.000 0.219 114 A C 2.256 179.903 177.584 0.105 0.000 1.182 114 A CA 2.503 54.418 52.037 -0.204 0.000 0.633 114 A CB -1.804 16.751 19.000 -0.742 0.000 0.819 114 A HN 0.564 nan 8.150 nan 0.000 0.448 115 T N 0.208 114.810 114.554 0.080 0.000 2.833 115 T HA -0.074 4.275 4.350 -0.001 0.000 0.269 115 T C 1.759 176.535 174.700 0.127 0.000 1.054 115 T CA 1.400 63.572 62.100 0.121 0.000 1.135 115 T CB -0.403 68.529 68.868 0.107 0.000 0.869 115 T HN 0.464 nan 8.240 nan 0.000 0.466 116 I N -0.383 120.250 120.570 0.104 0.000 2.202 116 I HA -0.151 4.019 4.170 -0.001 0.000 0.242 116 I C 2.149 178.248 176.117 -0.031 0.000 1.091 116 I CA 1.551 62.878 61.300 0.045 0.000 1.368 116 I CB -0.358 37.677 38.000 0.057 0.000 1.058 116 I HN 0.210 nan 8.210 nan 0.000 0.410 117 Y N 0.633 121.003 120.300 0.116 0.000 2.263 117 Y HA -0.241 4.308 4.550 -0.001 0.000 0.292 117 Y C 2.317 178.329 175.900 0.187 0.000 1.130 117 Y CA 1.584 59.754 58.100 0.115 0.000 1.179 117 Y CB -0.424 38.245 38.460 0.348 0.000 0.998 117 Y HN 0.178 nan 8.280 nan 0.000 0.532 118 D N -0.331 120.314 120.400 0.407 0.000 2.104 118 D HA -0.167 4.472 4.640 -0.001 0.000 0.194 118 D C 2.188 178.639 176.300 0.252 0.000 0.994 118 D CA 1.382 55.604 54.000 0.370 0.000 0.830 118 D CB -0.195 40.772 40.800 0.278 0.000 0.959 118 D HN 0.082 nan 8.370 nan 0.000 0.452 119 V N -0.118 119.903 119.914 0.178 0.000 2.332 119 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 119 V C 2.770 178.916 176.094 0.087 0.000 1.055 119 V CA 1.569 64.025 62.300 0.261 0.000 1.038 119 V CB -0.537 31.442 31.823 0.261 0.000 0.651 119 V HN 0.422 nan 8.190 nan 0.000 0.450 120 C N -0.801 118.283 119.300 -0.360 0.000 2.440 120 C HA -0.094 4.365 4.460 -0.001 0.000 0.278 120 C C 2.457 177.065 174.990 -0.637 0.000 1.295 120 C CA 0.594 59.082 59.018 -0.883 0.000 1.738 120 C CB -1.228 25.268 27.740 -2.072 0.000 1.987 120 C HN 0.544 nan 8.230 nan 0.000 0.492 121 F N 1.258 121.153 119.950 -0.092 0.000 2.456 121 F HA -0.003 4.524 4.527 -0.001 0.000 0.298 121 F C 2.282 178.085 175.800 0.004 0.000 1.104 121 F CA 1.016 59.123 58.000 0.179 0.000 1.435 121 F CB -0.443 38.721 39.000 0.273 0.000 1.078 121 F HN 0.310 nan 8.300 nan 0.000 0.546 122 N N -1.498 117.225 118.700 0.038 0.000 2.432 122 N HA -0.027 4.712 4.740 -0.001 0.000 0.174 122 N C 1.017 176.163 175.510 -0.607 0.000 1.037 122 N CA 0.900 53.769 53.050 -0.303 0.000 0.892 122 N CB 0.033 38.271 38.487 -0.415 0.000 1.049 122 N HN 0.343 nan 8.380 nan 0.000 0.442 123 H N -2.344 116.686 119.070 -0.066 0.000 3.233 123 H HA 0.256 4.812 4.556 -0.001 0.000 0.263 123 H C 0.262 175.173 175.328 -0.695 0.000 1.168 123 H CA -0.025 55.814 56.048 -0.349 0.000 1.159 123 H CB 0.585 30.123 29.762 -0.373 0.000 1.593 123 H HN 0.110 nan 8.280 nan 0.000 0.580 124 F N -0.837 119.079 119.950 -0.057 0.000 2.157 124 F HA 0.164 4.690 4.527 -0.001 0.000 0.277 124 F C 0.283 176.099 175.800 0.028 0.000 0.904 124 F CA -0.499 57.462 58.000 -0.066 0.000 1.121 124 F CB 0.048 38.906 39.000 -0.238 0.000 1.195 124 F HN -0.188 nan 8.300 nan 0.000 0.726 125 F N 3.813 123.818 119.950 0.092 0.000 2.569 125 F HA 0.120 4.646 4.527 -0.001 0.000 0.395 125 F C 0.817 176.692 175.800 0.125 0.000 1.028 125 F CA -0.156 57.871 58.000 0.045 0.000 1.158 125 F CB -0.335 38.581 39.000 -0.140 0.000 1.023 125 F HN -0.229 nan 8.300 nan 0.000 0.547 126 R N 2.272 123.000 120.500 0.380 0.000 2.297 126 R HA 0.648 4.988 4.340 -0.001 0.000 0.308 126 R C 0.010 176.437 176.300 0.212 0.000 1.029 126 R CA -0.621 55.649 56.100 0.283 0.000 0.929 126 R CB 1.084 31.524 30.300 0.232 0.000 1.046 126 R HN 0.725 nan 8.270 nan 0.000 0.461 127 A N 2.878 125.809 122.820 0.185 0.000 2.271 127 A HA 0.312 4.631 4.320 -0.001 0.000 0.288 127 A C -0.045 177.586 177.584 0.078 0.000 1.094 127 A CA -0.610 51.497 52.037 0.118 0.000 0.828 127 A CB 0.512 19.560 19.000 0.079 0.000 1.091 127 A HN 0.800 nan 8.150 nan 0.000 0.493 128 R N 0.295 120.827 120.500 0.052 0.000 2.585 128 R HA 0.070 4.409 4.340 -0.001 0.000 0.275 128 R C -0.017 176.298 176.300 0.026 0.000 1.018 128 R CA 1.117 57.234 56.100 0.028 0.000 1.072 128 R CB -0.100 30.214 30.300 0.023 0.000 0.953 128 R HN 0.991 nan 8.270 nan 0.000 0.419 129 N N 0.611 119.303 118.700 -0.013 0.000 3.439 129 N HA 0.096 4.835 4.740 -0.001 0.000 0.343 129 N C -0.213 175.293 175.510 -0.006 0.000 1.597 129 N CA -0.895 52.147 53.050 -0.013 0.000 0.733 129 N CB 0.362 38.766 38.487 -0.138 0.000 1.973 129 N HN 0.467 nan 8.380 nan 0.000 0.646 130 E N -0.620 119.581 120.200 0.000 0.000 2.170 130 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 130 E C 1.575 178.173 176.600 -0.004 0.000 0.981 130 E CA 1.303 57.709 56.400 0.010 0.000 0.830 130 E CB -0.025 29.688 29.700 0.021 0.000 0.775 130 E HN 0.633 nan 8.360 nan 0.000 0.470 131 Q N -0.138 119.645 119.800 -0.029 0.000 2.137 131 Q HA -0.020 4.319 4.340 -0.001 0.000 0.198 131 Q C -0.436 175.547 176.000 -0.029 0.000 0.960 131 Q CA 1.472 57.256 55.803 -0.031 0.000 0.847 131 Q CB 0.187 28.897 28.738 -0.047 0.000 0.915 131 Q HN 0.422 nan 8.270 nan 0.000 0.448 132 D N -3.853 116.523 120.400 -0.040 0.000 2.759 132 D HA 0.254 4.894 4.640 -0.001 0.000 0.321 132 D C 0.166 176.463 176.300 -0.004 0.000 1.267 132 D CA -0.369 53.620 54.000 -0.018 0.000 0.933 132 D CB 0.241 41.026 40.800 -0.025 0.000 1.431 132 D HN -0.060 nan 8.370 nan 0.000 0.504 133 G N -1.329 107.487 108.800 0.026 0.000 3.124 133 G HA2 0.479 4.438 3.960 -0.001 0.000 0.212 133 G HA3 0.479 4.438 3.960 -0.001 0.000 0.212 133 G C 0.939 175.872 174.900 0.055 0.000 1.181 133 G CA 0.291 45.418 45.100 0.044 0.000 0.803 133 G HN 1.042 nan 8.290 nan 0.000 0.529 134 G N 0.205 109.026 108.800 0.035 0.000 2.698 134 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.233 134 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.233 134 G C -0.610 174.362 174.900 0.120 0.000 1.352 134 G CA -0.326 44.810 45.100 0.061 0.000 0.879 134 G HN 0.255 nan 8.290 nan 0.000 0.567 135 D N 0.343 120.852 120.400 0.181 0.000 2.382 135 D HA 0.387 5.027 4.640 -0.001 0.000 0.245 135 D C 0.709 177.154 176.300 0.242 0.000 1.120 135 D CA 0.241 54.394 54.000 0.255 0.000 0.890 135 D CB 0.849 41.919 40.800 0.451 0.000 1.201 135 D HN 0.438 nan 8.370 nan 0.000 0.433 136 L N 2.109 123.494 121.223 0.271 0.000 2.272 136 L HA 0.268 4.607 4.340 -0.001 0.000 0.284 136 L C -0.336 176.734 176.870 0.333 0.000 1.045 136 L CA -0.829 54.229 54.840 0.363 0.000 0.842 136 L CB 1.047 43.300 42.059 0.324 0.000 1.224 136 L HN -0.050 nan 8.230 nan 0.000 0.430 137 V N 3.391 123.430 119.914 0.208 0.000 2.364 137 V HA 0.175 4.295 4.120 -0.001 0.000 0.272 137 V C -0.461 175.621 176.094 -0.019 0.000 1.036 137 V CA -0.452 61.822 62.300 -0.044 0.000 0.880 137 V CB 0.831 32.101 31.823 -0.921 0.000 0.991 137 V HN 0.401 nan 8.190 nan 0.000 0.460 138 Y N 4.927 125.277 120.300 0.082 0.000 2.714 138 Y HA 0.432 4.981 4.550 -0.001 0.000 0.333 138 Y C 0.309 176.332 175.900 0.206 0.000 1.220 138 Y CA -1.052 57.151 58.100 0.172 0.000 1.513 138 Y CB -0.370 38.132 38.460 0.069 0.000 1.435 138 Y HN 0.497 nan 8.280 nan 0.000 0.489 139 F N 0.787 120.930 119.950 0.322 0.000 2.572 139 F HA 0.002 4.529 4.527 -0.001 0.000 0.370 139 F C 1.092 176.969 175.800 0.128 0.000 1.103 139 F CA -0.156 57.974 58.000 0.217 0.000 1.286 139 F CB 0.475 39.547 39.000 0.120 0.000 1.105 139 F HN 0.312 nan 8.300 nan 0.000 0.583 140 Q N 2.440 122.441 119.800 0.335 0.000 2.244 140 Q HA 0.084 4.423 4.340 -0.001 0.000 0.276 140 Q C 1.472 177.326 176.000 -0.244 0.000 1.122 140 Q CA 0.369 56.165 55.803 -0.012 0.000 0.920 140 Q CB 0.802 29.512 28.738 -0.047 0.000 1.186 140 Q HN 0.969 nan 8.270 nan 0.000 0.393 141 G N 3.993 112.663 108.800 -0.216 0.000 2.679 141 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.222 141 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.222 141 G C 0.824 175.716 174.900 -0.013 0.000 1.164 141 G CA 1.352 46.350 45.100 -0.170 0.000 0.769 141 G HN 0.934 nan 8.290 nan 0.000 0.610 142 H N 0.632 119.683 119.070 -0.031 0.000 2.561 142 H HA 0.032 4.587 4.556 -0.001 0.000 0.278 142 H C 2.165 177.564 175.328 0.119 0.000 1.014 142 H CA 0.993 57.083 56.048 0.069 0.000 1.211 142 H CB -0.606 29.037 29.762 -0.198 0.000 1.365 142 H HN 0.647 nan 8.280 nan 0.000 0.594 143 I N -0.451 120.092 120.570 -0.045 0.000 3.875 143 I HA 0.152 4.321 4.170 -0.001 0.000 0.329 143 I C 2.117 178.028 176.117 -0.343 0.000 1.295 143 I CA 0.177 61.411 61.300 -0.110 0.000 1.129 143 I CB 0.038 37.974 38.000 -0.107 0.000 1.008 143 I HN 0.061 nan 8.210 nan 0.000 0.413 144 S N 2.039 117.621 115.700 -0.197 0.000 2.374 144 S HA -0.032 4.437 4.470 -0.001 0.000 0.227 144 S C -0.235 174.060 174.600 -0.508 0.000 1.037 144 S CA 1.430 59.440 58.200 -0.317 0.000 1.024 144 S CB -1.898 61.181 63.200 -0.200 0.000 0.861 144 S HN 0.370 nan 8.310 nan 0.000 0.456 145 P HA 0.070 nan 4.420 nan 0.000 0.219 145 P C 1.749 178.795 177.300 -0.422 0.000 1.146 145 P CA 1.521 64.486 63.100 -0.226 0.000 0.808 145 P CB -0.680 30.885 31.700 -0.224 0.000 0.779 146 G N -0.439 107.838 108.800 -0.871 0.000 2.394 146 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.215 146 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.215 146 G C 1.574 175.976 174.900 -0.830 0.000 1.165 146 G CA 0.443 44.577 45.100 -1.610 0.000 0.784 146 G HN 0.134 nan 8.290 nan 0.000 0.535 147 V N 0.190 119.700 119.914 -0.672 0.000 2.407 147 V HA -0.166 3.954 4.120 -0.001 0.000 0.248 147 V C 2.469 178.437 176.094 -0.209 0.000 1.055 147 V CA 1.241 63.273 62.300 -0.447 0.000 1.049 147 V CB -0.686 30.842 31.823 -0.492 0.000 0.662 147 V HN 0.368 nan 8.190 nan 0.000 0.455 148 Y N 0.735 120.909 120.300 -0.209 0.000 2.200 148 Y HA -0.055 4.494 4.550 -0.001 0.000 0.290 148 Y C 2.580 178.368 175.900 -0.187 0.000 1.137 148 Y CA 0.550 58.526 58.100 -0.207 0.000 1.163 148 Y CB -1.462 36.879 38.460 -0.197 0.000 0.988 148 Y HN 0.190 nan 8.280 nan 0.000 0.518 149 A N 0.392 123.181 122.820 -0.052 0.000 1.917 149 A HA -0.281 4.039 4.320 -0.001 0.000 0.219 149 A C 2.437 180.038 177.584 0.028 0.000 1.182 149 A CA 2.238 54.252 52.037 -0.038 0.000 0.633 149 A CB -0.762 18.208 19.000 -0.051 0.000 0.819 149 A HN 0.452 nan 8.150 nan 0.000 0.448 150 R N -0.574 119.893 120.500 -0.055 0.000 2.055 150 R HA -0.001 4.339 4.340 -0.001 0.000 0.228 150 R C 2.360 178.613 176.300 -0.079 0.000 1.143 150 R CA 1.492 57.538 56.100 -0.090 0.000 0.945 150 R CB -0.587 29.541 30.300 -0.288 0.000 0.841 150 R HN 0.364 nan 8.270 nan 0.000 0.429 151 A N 0.687 123.463 122.820 -0.074 0.000 1.958 151 A HA -0.252 4.068 4.320 -0.001 0.000 0.221 151 A C 2.040 179.608 177.584 -0.027 0.000 1.178 151 A CA 1.756 53.777 52.037 -0.028 0.000 0.642 151 A CB -0.962 18.114 19.000 0.127 0.000 0.816 151 A HN 0.631 nan 8.150 nan 0.000 0.453 152 F N -0.324 119.539 119.950 -0.144 0.000 2.113 152 F HA -0.081 4.446 4.527 -0.001 0.000 0.297 152 F C 1.774 177.503 175.800 -0.118 0.000 1.103 152 F CA 1.684 59.583 58.000 -0.168 0.000 1.248 152 F CB -0.298 38.563 39.000 -0.231 0.000 0.999 152 F HN 0.171 nan 8.300 nan 0.000 0.475 153 L N 0.863 122.044 121.223 -0.069 0.000 2.141 153 L HA -0.112 4.228 4.340 -0.001 0.000 0.209 153 L C 1.857 178.658 176.870 -0.115 0.000 1.094 153 L CA 1.719 56.484 54.840 -0.126 0.000 0.763 153 L CB -0.864 41.217 42.059 0.037 0.000 0.908 153 L HN 0.195 nan 8.230 nan 0.000 0.437 154 E N -0.642 119.463 120.200 -0.158 0.000 2.512 154 E HA 0.141 4.490 4.350 -0.001 0.000 0.195 154 E C 1.096 177.605 176.600 -0.151 0.000 1.083 154 E CA 0.477 56.741 56.400 -0.227 0.000 0.873 154 E CB -0.268 29.212 29.700 -0.367 0.000 0.897 154 E HN 0.516 nan 8.360 nan 0.000 0.514 155 G N 1.933 110.613 108.800 -0.200 0.000 2.249 155 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.273 155 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.273 155 G C 0.752 175.535 174.900 -0.194 0.000 1.036 155 G CA 0.490 45.454 45.100 -0.226 0.000 0.824 155 G HN 0.306 nan 8.290 nan 0.000 0.504 156 R N -1.390 119.005 120.500 -0.176 0.000 2.279 156 R HA 0.374 4.713 4.340 -0.001 0.000 0.195 156 R C 0.813 177.060 176.300 -0.088 0.000 0.905 156 R CA 0.270 56.300 56.100 -0.117 0.000 1.044 156 R CB 0.549 30.798 30.300 -0.086 0.000 1.056 156 R HN 0.416 nan 8.270 nan 0.000 0.535 157 L N 1.223 122.396 121.223 -0.082 0.000 2.386 157 L HA 0.322 4.662 4.340 -0.001 0.000 0.271 157 L C 0.410 177.306 176.870 0.044 0.000 0.993 157 L CA -0.803 53.981 54.840 -0.093 0.000 0.819 157 L CB 2.172 44.113 42.059 -0.197 0.000 1.294 157 L HN 0.042 nan 8.230 nan 0.000 0.414 158 T N -1.849 112.707 114.554 0.004 0.000 2.788 158 T HA 0.081 4.430 4.350 -0.001 0.000 0.280 158 T C 0.687 175.451 174.700 0.107 0.000 0.984 158 T CA -0.157 61.996 62.100 0.089 0.000 0.972 158 T CB 1.384 70.254 68.868 0.004 0.000 1.039 158 T HN 0.728 nan 8.240 nan 0.000 0.530 159 Q N -0.498 119.397 119.800 0.158 0.000 2.172 159 Q HA -0.089 4.251 4.340 -0.001 0.000 0.200 159 Q C 2.190 178.107 176.000 -0.139 0.000 0.964 159 Q CA 1.329 57.049 55.803 -0.139 0.000 0.855 159 Q CB -0.090 28.705 28.738 0.095 0.000 0.918 159 Q HN 0.906 nan 8.270 nan 0.000 0.444 160 E N -0.030 120.143 120.200 -0.045 0.000 2.072 160 E HA -0.231 4.118 4.350 -0.001 0.000 0.191 160 E C 1.967 178.521 176.600 -0.077 0.000 0.985 160 E CA 1.083 57.461 56.400 -0.036 0.000 0.801 160 E CB 0.104 29.791 29.700 -0.020 0.000 0.750 160 E HN 0.448 nan 8.360 nan 0.000 0.452 161 Q N 0.152 119.882 119.800 -0.117 0.000 2.084 161 Q HA -0.133 4.206 4.340 -0.001 0.000 0.202 161 Q C 2.419 178.293 176.000 -0.210 0.000 0.978 161 Q CA 1.166 56.869 55.803 -0.167 0.000 0.844 161 Q CB -0.024 28.586 28.738 -0.212 0.000 0.898 161 Q HN 0.369 nan 8.270 nan 0.000 0.426 162 L N 0.698 121.741 121.223 -0.299 0.000 2.131 162 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 162 L C 1.405 178.207 176.870 -0.114 0.000 1.092 162 L CA 0.779 55.404 54.840 -0.358 0.000 0.759 162 L CB -0.273 41.282 42.059 -0.839 0.000 0.903 162 L HN 0.207 nan 8.230 nan 0.000 0.435 163 D N -0.342 120.028 120.400 -0.051 0.000 2.347 163 D HA -0.053 4.586 4.640 -0.001 0.000 0.213 163 D C 0.822 177.148 176.300 0.042 0.000 0.985 163 D CA 0.600 54.633 54.000 0.054 0.000 0.879 163 D CB 0.018 40.855 40.800 0.063 0.000 0.919 163 D HN 0.264 nan 8.370 nan 0.000 0.526 164 N N 0.522 119.224 118.700 0.004 0.000 2.380 164 N HA 0.016 4.755 4.740 -0.001 0.000 0.255 164 N C -0.294 175.217 175.510 0.002 0.000 1.158 164 N CA -0.350 52.698 53.050 -0.003 0.000 0.878 164 N CB -0.246 38.221 38.487 -0.033 0.000 1.138 164 N HN 0.071 nan 8.380 nan 0.000 0.509 165 F N 2.332 122.214 119.950 -0.114 0.000 2.578 165 F HA 0.061 4.587 4.527 -0.001 0.000 0.381 165 F C 1.086 176.844 175.800 -0.070 0.000 1.069 165 F CA -0.106 57.828 58.000 -0.109 0.000 1.231 165 F CB 0.261 39.218 39.000 -0.072 0.000 1.086 165 F HN 0.168 nan 8.300 nan 0.000 0.564 166 R N 3.784 123.924 120.500 -0.600 0.000 3.422 166 R HA -0.219 4.120 4.340 -0.001 0.000 0.267 166 R C -0.818 175.336 176.300 -0.243 0.000 1.074 166 R CA 0.842 56.632 56.100 -0.518 0.000 0.718 166 R CB -1.860 27.999 30.300 -0.736 0.000 1.157 166 R HN 0.807 nan 8.270 nan 0.000 0.440 167 Q N -0.347 119.357 119.800 -0.160 0.000 3.550 167 Q HA 0.100 4.440 4.340 -0.001 0.000 0.206 167 Q C -0.183 175.761 176.000 -0.092 0.000 0.891 167 Q CA -0.229 55.511 55.803 -0.104 0.000 0.737 167 Q CB 1.148 29.854 28.738 -0.053 0.000 1.417 167 Q HN 0.318 nan 8.270 nan 0.000 0.460 168 E N -0.018 120.119 120.200 -0.104 0.000 2.307 168 E HA -0.027 4.323 4.350 -0.001 0.000 0.195 168 E C 1.656 178.200 176.600 -0.094 0.000 0.975 168 E CA 0.335 56.687 56.400 -0.081 0.000 0.878 168 E CB 0.586 30.250 29.700 -0.059 0.000 0.845 168 E HN 0.183 nan 8.360 nan 0.000 0.488 169 V N 1.619 121.434 119.914 -0.164 0.000 2.252 169 V HA -0.334 3.786 4.120 -0.001 0.000 0.255 169 V C 1.560 177.530 176.094 -0.206 0.000 1.071 169 V CA 2.322 64.479 62.300 -0.239 0.000 1.050 169 V CB -0.769 30.801 31.823 -0.422 0.000 0.654 169 V HN 0.411 nan 8.190 nan 0.000 0.448 170 H N -0.736 118.322 119.070 -0.020 0.000 2.547 170 H HA 0.363 4.918 4.556 -0.001 0.000 0.274 170 H C 1.638 176.954 175.328 -0.020 0.000 1.024 170 H CA 0.400 56.437 56.048 -0.019 0.000 1.155 170 H CB 0.191 29.942 29.762 -0.019 0.000 1.344 170 H HN 0.580 nan 8.280 nan 0.000 0.598 171 G N 0.822 109.657 108.800 0.059 0.000 2.313 171 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.215 171 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.215 171 G C 0.646 175.547 174.900 0.001 0.000 1.023 171 G CA -0.088 45.030 45.100 0.029 0.000 0.626 171 G HN 0.413 nan 8.290 nan 0.000 0.503 172 N N 1.848 120.546 118.700 -0.003 0.000 2.541 172 N HA 0.440 5.179 4.740 -0.001 0.000 0.297 172 N C 0.630 176.101 175.510 -0.065 0.000 1.503 172 N CA 0.824 53.852 53.050 -0.036 0.000 0.919 172 N CB 0.596 39.065 38.487 -0.030 0.000 1.305 172 N HN 0.653 nan 8.380 nan 0.000 0.501 173 G N -0.278 108.479 108.800 -0.073 0.000 2.887 173 G HA2 0.724 4.683 3.960 -0.001 0.000 0.277 173 G HA3 0.724 4.683 3.960 -0.001 0.000 0.277 173 G C -0.798 174.008 174.900 -0.157 0.000 1.346 173 G CA -0.384 44.654 45.100 -0.103 0.000 1.058 173 G HN 0.135 nan 8.290 nan 0.000 0.535 174 L N 0.391 121.504 121.223 -0.184 0.000 2.386 174 L HA 0.392 4.731 4.340 -0.001 0.000 0.271 174 L C 0.216 177.038 176.870 -0.080 0.000 0.993 174 L CA -0.730 53.964 54.840 -0.243 0.000 0.819 174 L CB 2.254 43.956 42.059 -0.595 0.000 1.294 174 L HN 0.418 nan 8.230 nan 0.000 0.414 175 S N 0.201 115.970 115.700 0.115 0.000 2.584 175 S HA 0.019 4.488 4.470 -0.001 0.000 0.270 175 S C 1.254 175.890 174.600 0.059 0.000 1.346 175 S CA -0.133 58.144 58.200 0.128 0.000 1.018 175 S CB 1.387 64.768 63.200 0.301 0.000 0.899 175 S HN 0.838 nan 8.310 nan 0.000 0.542 176 S N 0.879 116.448 115.700 -0.218 0.000 2.356 176 S HA -0.067 4.403 4.470 -0.001 0.000 0.223 176 S C 0.056 174.349 174.600 -0.512 0.000 1.032 176 S CA 1.029 58.883 58.200 -0.577 0.000 1.005 176 S CB -0.497 62.144 63.200 -0.933 0.000 0.867 176 S HN 0.679 nan 8.310 nan 0.000 0.449 177 Y N 0.457 120.681 120.300 -0.127 0.000 2.634 177 Y HA 0.578 5.127 4.550 -0.001 0.000 0.340 177 Y C -3.001 172.202 175.900 -1.162 0.000 1.058 177 Y CA -3.369 54.415 58.100 -0.527 0.000 1.081 177 Y CB -0.143 38.063 38.460 -0.424 0.000 1.295 177 Y HN -0.177 nan 8.280 nan 0.000 0.487 178 P HA 0.025 nan 4.420 nan 0.000 0.252 178 P C -1.037 175.732 177.300 -0.885 0.000 1.183 178 P CA 0.929 62.993 63.100 -1.726 0.000 0.973 178 P CB -0.224 30.831 31.700 -1.075 0.000 0.990 179 H N 4.234 123.118 119.070 -0.309 0.000 2.854 179 H HA 0.194 4.749 4.556 -0.001 0.000 0.275 179 H C -1.911 173.530 175.328 0.189 0.000 1.198 179 H CA -2.126 53.942 56.048 0.032 0.000 1.489 179 H CB 1.247 31.047 29.762 0.064 0.000 1.519 179 H HN 0.219 nan 8.280 nan 0.000 0.503 180 P HA -0.216 nan 4.420 nan 0.000 0.216 180 P C 1.792 179.196 177.300 0.174 0.000 1.150 180 P CA 1.421 64.655 63.100 0.224 0.000 0.843 180 P CB 0.604 32.375 31.700 0.117 0.000 0.787 181 K N -0.601 119.880 120.400 0.136 0.000 2.211 181 K HA -0.095 4.224 4.320 -0.001 0.000 0.203 181 K C 1.489 178.142 176.600 0.088 0.000 1.050 181 K CA 1.487 57.821 56.287 0.078 0.000 0.945 181 K CB -0.993 31.512 32.500 0.009 0.000 0.732 181 K HN -0.002 nan 8.250 nan 0.000 0.451 182 L N -0.237 121.070 121.223 0.141 0.000 2.477 182 L HA 0.335 4.674 4.340 -0.001 0.000 0.220 182 L C 0.377 177.343 176.870 0.161 0.000 1.106 182 L CA 0.942 55.863 54.840 0.135 0.000 0.851 182 L CB -0.070 42.084 42.059 0.157 0.000 0.994 182 L HN 0.192 nan 8.230 nan 0.000 0.462 183 M N 0.288 120.022 119.600 0.224 0.000 3.432 183 M HA 0.199 4.678 4.480 -0.001 0.000 0.390 183 M C -1.769 174.652 176.300 0.201 0.000 1.811 183 M CA -0.756 54.668 55.300 0.207 0.000 0.536 183 M CB 1.711 34.488 32.600 0.296 0.000 1.681 183 M HN -0.239 nan 8.290 nan 0.000 0.462 184 P HA -0.171 nan 4.420 nan 0.000 0.224 184 P C 0.309 177.657 177.300 0.079 0.000 1.142 184 P CA 1.492 64.653 63.100 0.102 0.000 0.778 184 P CB 0.211 31.957 31.700 0.077 0.000 0.764 185 E N -3.192 117.061 120.200 0.088 0.000 2.498 185 E HA 0.114 4.463 4.350 -0.001 0.000 0.203 185 E C 1.017 177.662 176.600 0.074 0.000 1.013 185 E CA -0.153 56.284 56.400 0.063 0.000 0.927 185 E CB 0.065 29.798 29.700 0.055 0.000 1.012 185 E HN 0.249 nan 8.360 nan 0.000 0.482 186 F N -0.579 119.311 119.950 -0.100 0.000 2.522 186 F HA 0.243 4.769 4.527 -0.001 0.000 0.275 186 F C -0.042 175.614 175.800 -0.241 0.000 0.890 186 F CA -0.204 57.648 58.000 -0.246 0.000 1.157 186 F CB 0.393 39.149 39.000 -0.406 0.000 1.117 186 F HN -0.150 nan 8.300 nan 0.000 0.787 187 W N 1.942 123.346 121.300 0.174 0.000 2.215 187 W HA 0.347 5.006 4.660 -0.001 0.000 0.342 187 W C 1.051 177.472 176.519 -0.163 0.000 1.237 187 W CA -0.224 57.133 57.345 0.019 0.000 1.283 187 W CB 0.785 30.331 29.460 0.144 0.000 1.131 187 W HN 0.084 nan 8.180 nan 0.000 0.606 188 Q N 0.287 120.095 119.800 0.013 0.000 2.527 188 Q HA 0.154 4.494 4.340 -0.001 0.000 0.252 188 Q C -0.716 174.874 176.000 -0.683 0.000 0.827 188 Q CA 0.294 55.758 55.803 -0.566 0.000 0.979 188 Q CB 0.802 28.836 28.738 -1.173 0.000 1.248 188 Q HN 0.300 nan 8.270 nan 0.000 0.578 189 F N 1.702 121.633 119.950 -0.032 0.000 2.496 189 F HA 0.410 4.936 4.527 -0.001 0.000 0.341 189 F C -2.447 173.320 175.800 -0.054 0.000 1.134 189 F CA -3.103 54.807 58.000 -0.150 0.000 0.968 189 F CB 1.124 39.721 39.000 -0.673 0.000 1.205 189 F HN -0.189 nan 8.300 nan 0.000 0.436 190 P HA 0.116 nan 4.420 nan 0.000 0.266 190 P C 0.648 178.045 177.300 0.161 0.000 1.215 190 P CA 0.259 63.446 63.100 0.146 0.000 0.763 190 P CB 0.617 32.455 31.700 0.230 0.000 0.806 191 T N -2.215 112.379 114.554 0.066 0.000 3.016 191 T HA 0.030 4.380 4.350 -0.001 0.000 0.271 191 T C 1.258 175.971 174.700 0.022 0.000 0.968 191 T CA 0.267 62.424 62.100 0.094 0.000 0.891 191 T CB -0.666 68.278 68.868 0.127 0.000 1.149 191 T HN 0.116 nan 8.240 nan 0.000 0.524 192 V N -0.109 119.764 119.914 -0.068 0.000 2.720 192 V HA 0.081 4.201 4.120 -0.001 0.000 0.256 192 V C 1.471 177.522 176.094 -0.071 0.000 1.082 192 V CA 1.145 63.342 62.300 -0.171 0.000 1.101 192 V CB -1.120 30.414 31.823 -0.481 0.000 0.693 192 V HN 0.445 nan 8.190 nan 0.000 0.479 193 S N 2.869 118.582 115.700 0.021 0.000 2.494 193 S HA 0.363 4.833 4.470 -0.001 0.000 0.312 193 S C 0.418 175.036 174.600 0.030 0.000 1.121 193 S CA -0.624 57.597 58.200 0.034 0.000 1.068 193 S CB -0.710 62.540 63.200 0.083 0.000 1.141 193 S HN 0.412 nan 8.310 nan 0.000 0.527 194 M N 3.327 122.931 119.600 0.007 0.000 2.219 194 M HA 0.032 4.512 4.480 -0.001 0.000 0.340 194 M C 1.793 178.099 176.300 0.010 0.000 1.135 194 M CA 1.649 56.955 55.300 0.011 0.000 0.976 194 M CB -1.432 31.163 32.600 -0.008 0.000 1.713 194 M HN 0.954 nan 8.290 nan 0.000 0.457 195 G N 1.992 110.792 108.800 0.000 0.000 2.267 195 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.257 195 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.257 195 G C 0.800 175.704 174.900 0.006 0.000 0.998 195 G CA 0.572 45.669 45.100 -0.006 0.000 0.620 195 G HN 0.620 nan 8.290 nan 0.000 0.529 196 L N 0.711 121.950 121.223 0.028 0.000 2.162 196 L HA 0.227 4.567 4.340 -0.001 0.000 0.205 196 L C 3.113 180.010 176.870 0.046 0.000 1.086 196 L CA 1.327 56.195 54.840 0.047 0.000 0.778 196 L CB -0.766 41.341 42.059 0.081 0.000 0.928 196 L HN 0.320 nan 8.230 nan 0.000 0.446 197 G N 1.276 110.108 108.800 0.054 0.000 2.446 197 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.217 197 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.217 197 G C -0.487 174.294 174.900 -0.199 0.000 1.168 197 G CA 0.874 45.998 45.100 0.040 0.000 0.771 197 G HN 0.305 nan 8.290 nan 0.000 0.551 198 P HA -0.071 nan 4.420 nan 0.000 0.215 198 P C 2.077 179.421 177.300 0.073 0.000 1.157 198 P CA 0.847 63.777 63.100 -0.283 0.000 0.863 198 P CB 0.014 31.440 31.700 -0.455 0.000 0.787 199 I N 0.025 120.647 120.570 0.086 0.000 2.202 199 I HA -0.106 4.063 4.170 -0.001 0.000 0.242 199 I C 2.440 178.668 176.117 0.185 0.000 1.091 199 I CA 1.824 63.238 61.300 0.190 0.000 1.368 199 I CB -0.910 37.176 38.000 0.144 0.000 1.058 199 I HN -0.083 nan 8.210 nan 0.000 0.410 200 G N 0.233 109.064 108.800 0.051 0.000 2.469 200 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.220 200 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.220 200 G C 1.700 176.537 174.900 -0.104 0.000 1.136 200 G CA 0.850 45.966 45.100 0.028 0.000 0.759 200 G HN 0.580 nan 8.290 nan 0.000 0.562 201 A N 0.616 123.181 122.820 -0.426 0.000 1.898 201 A HA 0.127 4.446 4.320 -0.001 0.000 0.216 201 A C 2.391 179.883 177.584 -0.153 0.000 1.181 201 A CA 1.102 52.771 52.037 -0.613 0.000 0.620 201 A CB -0.301 18.177 19.000 -0.871 0.000 0.819 201 A HN 0.369 nan 8.150 nan 0.000 0.442 202 I N -1.806 118.769 120.570 0.009 0.000 2.208 202 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 202 I C 2.286 178.287 176.117 -0.194 0.000 1.097 202 I CA 1.598 62.862 61.300 -0.060 0.000 1.363 202 I CB -0.376 37.600 38.000 -0.039 0.000 1.051 202 I HN 0.417 nan 8.210 nan 0.000 0.413 203 Y N 0.128 120.420 120.300 -0.013 0.000 2.395 203 Y HA -0.210 4.339 4.550 -0.001 0.000 0.293 203 Y C 2.650 178.569 175.900 0.032 0.000 1.123 203 Y CA 1.038 59.141 58.100 0.005 0.000 1.227 203 Y CB -0.328 38.123 38.460 -0.015 0.000 1.012 203 Y HN 0.169 nan 8.280 nan 0.000 0.552 204 Q N 0.725 120.585 119.800 0.100 0.000 2.119 204 Q HA -0.131 4.208 4.340 -0.001 0.000 0.201 204 Q C 2.223 178.293 176.000 0.116 0.000 0.972 204 Q CA 1.706 57.576 55.803 0.112 0.000 0.847 204 Q CB -0.362 28.408 28.738 0.054 0.000 0.903 204 Q HN 0.377 nan 8.270 nan 0.000 0.433 205 A N 0.424 123.254 122.820 0.017 0.000 1.930 205 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 205 A C 2.041 179.622 177.584 -0.006 0.000 1.175 205 A CA 1.610 53.632 52.037 -0.025 0.000 0.627 205 A CB -0.545 18.390 19.000 -0.110 0.000 0.815 205 A HN 0.413 nan 8.150 nan 0.000 0.443 206 K N -1.565 118.839 120.400 0.006 0.000 2.057 206 K HA -0.112 4.207 4.320 -0.001 0.000 0.206 206 K C 1.747 178.432 176.600 0.140 0.000 1.050 206 K CA 1.440 57.757 56.287 0.050 0.000 0.935 206 K CB -0.346 32.157 32.500 0.004 0.000 0.715 206 K HN 0.323 nan 8.250 nan 0.000 0.439 207 F N 1.724 121.689 119.950 0.024 0.000 2.134 207 F HA -0.134 4.393 4.527 -0.001 0.000 0.299 207 F C 1.539 177.387 175.800 0.079 0.000 1.097 207 F CA 1.392 59.415 58.000 0.039 0.000 1.264 207 F CB -0.120 38.903 39.000 0.037 0.000 1.001 207 F HN -0.023 nan 8.300 nan 0.000 0.479 208 L N -0.297 120.962 121.223 0.060 0.000 2.131 208 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 208 L C 2.505 179.295 176.870 -0.134 0.000 1.092 208 L CA 0.940 55.746 54.840 -0.055 0.000 0.759 208 L CB -0.729 41.337 42.059 0.013 0.000 0.903 208 L HN -0.021 nan 8.230 nan 0.000 0.435 209 K N -0.303 120.041 120.400 -0.092 0.000 2.057 209 K HA -0.200 4.119 4.320 -0.001 0.000 0.206 209 K C 2.060 178.567 176.600 -0.155 0.000 1.050 209 K CA 1.435 57.624 56.287 -0.163 0.000 0.935 209 K CB -0.567 31.905 32.500 -0.046 0.000 0.715 209 K HN 0.219 nan 8.250 nan 0.000 0.439 210 Y N 1.728 121.866 120.300 -0.268 0.000 2.053 210 Y HA -0.271 4.278 4.550 -0.001 0.000 0.277 210 Y C 2.056 177.690 175.900 -0.442 0.000 1.159 210 Y CA 1.412 59.165 58.100 -0.578 0.000 1.125 210 Y CB -0.630 37.315 38.460 -0.859 0.000 0.969 210 Y HN -0.105 nan 8.280 nan 0.000 0.492 211 L N 0.992 121.894 121.223 -0.534 0.000 2.089 211 L HA -0.254 4.085 4.340 -0.001 0.000 0.213 211 L C 2.595 179.262 176.870 -0.338 0.000 1.079 211 L CA 2.358 56.887 54.840 -0.517 0.000 0.758 211 L CB -1.163 40.655 42.059 -0.402 0.000 0.891 211 L HN 0.502 nan 8.230 nan 0.000 0.433 212 E N -1.305 118.736 120.200 -0.264 0.000 2.016 212 E HA -0.218 4.131 4.350 -0.001 0.000 0.190 212 E C 2.179 178.709 176.600 -0.117 0.000 0.985 212 E CA 1.254 57.537 56.400 -0.195 0.000 0.802 212 E CB -0.216 29.344 29.700 -0.234 0.000 0.762 212 E HN 0.627 nan 8.360 nan 0.000 0.448 213 H N -0.244 118.770 119.070 -0.094 0.000 2.390 213 H HA -0.064 4.492 4.556 -0.000 0.000 0.298 213 H C 2.066 177.332 175.328 -0.103 0.000 1.106 213 H CA 1.272 57.302 56.048 -0.030 0.000 1.297 213 H CB 0.096 29.954 29.762 0.161 0.000 1.375 213 H HN 0.059 nan 8.280 nan 0.000 0.509 214 R N 0.086 120.509 120.500 -0.130 0.000 2.323 214 R HA 0.004 4.344 4.340 -0.001 0.000 0.198 214 R C 0.921 177.126 176.300 -0.158 0.000 0.988 214 R CA 0.533 56.499 56.100 -0.224 0.000 1.041 214 R CB 0.421 30.405 30.300 -0.526 0.000 0.926 214 R HN 0.482 nan 8.270 nan 0.000 0.476 215 G N 0.789 109.518 108.800 -0.119 0.000 2.160 215 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.244 215 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.244 215 G C 0.358 175.193 174.900 -0.109 0.000 1.022 215 G CA -0.137 44.909 45.100 -0.090 0.000 0.741 215 G HN 0.169 nan 8.290 nan 0.000 0.508 216 L N -0.533 120.597 121.223 -0.154 0.000 2.221 216 L HA 0.505 4.844 4.340 -0.001 0.000 0.202 216 L C 1.267 178.074 176.870 -0.104 0.000 1.074 216 L CA 1.961 56.715 54.840 -0.143 0.000 0.795 216 L CB 0.209 42.142 42.059 -0.210 0.000 0.960 216 L HN 0.422 nan 8.230 nan 0.000 0.458 217 K N -0.204 120.128 120.400 -0.113 0.000 2.570 217 K HA 0.110 4.429 4.320 -0.001 0.000 0.256 217 K C -1.647 174.903 176.600 -0.083 0.000 0.939 217 K CA -0.569 55.672 56.287 -0.077 0.000 0.833 217 K CB 1.485 33.950 32.500 -0.059 0.000 1.318 217 K HN -0.135 nan 8.250 nan 0.000 0.433 218 D N 2.720 123.083 120.400 -0.062 0.000 2.342 218 D HA 0.030 4.670 4.640 -0.001 0.000 0.260 218 D C 0.663 176.928 176.300 -0.058 0.000 1.278 218 D CA 0.230 54.193 54.000 -0.062 0.000 0.910 218 D CB 1.032 41.805 40.800 -0.045 0.000 1.079 218 D HN 0.528 nan 8.370 nan 0.000 0.496 219 T N -0.512 113.998 114.554 -0.074 0.000 3.092 219 T HA 0.004 4.353 4.350 -0.001 0.000 0.258 219 T C 1.750 176.416 174.700 -0.056 0.000 1.031 219 T CA 0.227 62.293 62.100 -0.057 0.000 0.925 219 T CB -0.264 68.565 68.868 -0.065 0.000 1.036 219 T HN 0.266 nan 8.240 nan 0.000 0.544 220 S N 2.194 117.855 115.700 -0.065 0.000 2.462 220 S HA -0.138 4.331 4.470 -0.001 0.000 0.243 220 S C 1.655 176.233 174.600 -0.038 0.000 1.003 220 S CA 0.722 58.885 58.200 -0.061 0.000 0.970 220 S CB -0.542 62.624 63.200 -0.057 0.000 0.762 220 S HN 0.643 nan 8.310 nan 0.000 0.510 221 K N 0.803 121.189 120.400 -0.025 0.000 2.367 221 K HA 0.174 4.494 4.320 -0.001 0.000 0.194 221 K C 0.284 176.894 176.600 0.017 0.000 1.027 221 K CA 0.018 56.304 56.287 -0.003 0.000 1.075 221 K CB 0.201 32.696 32.500 -0.008 0.000 0.845 221 K HN 0.591 nan 8.250 nan 0.000 0.529 222 Q N 1.134 120.939 119.800 0.008 0.000 2.288 222 Q HA 0.168 4.508 4.340 -0.001 0.000 0.254 222 Q C -0.553 175.457 176.000 0.017 0.000 0.932 222 Q CA 0.234 56.059 55.803 0.037 0.000 0.902 222 Q CB 1.369 30.130 28.738 0.039 0.000 1.203 222 Q HN -0.120 nan 8.270 nan 0.000 0.415 223 T N 1.312 115.892 114.554 0.043 0.000 2.841 223 T HA 0.384 4.734 4.350 -0.001 0.000 0.283 223 T C -0.534 174.112 174.700 -0.090 0.000 1.000 223 T CA -0.606 61.438 62.100 -0.093 0.000 0.977 223 T CB 1.458 70.226 68.868 -0.167 0.000 0.979 223 T HN 0.280 nan 8.240 nan 0.000 0.446 224 V N 3.972 123.777 119.914 -0.181 0.000 2.333 224 V HA 0.368 4.488 4.120 -0.001 0.000 0.274 224 V C -1.110 174.899 176.094 -0.141 0.000 1.028 224 V CA -0.744 61.525 62.300 -0.051 0.000 0.851 224 V CB -0.032 31.771 31.823 -0.033 0.000 1.000 224 V HN 0.785 nan 8.190 nan 0.000 0.456 225 Y N 2.852 123.271 120.300 0.198 0.000 2.331 225 Y HA 0.686 5.236 4.550 -0.001 0.000 0.338 225 Y C 0.477 176.478 175.900 0.168 0.000 0.992 225 Y CA -0.572 57.630 58.100 0.171 0.000 1.121 225 Y CB 1.813 40.500 38.460 0.377 0.000 1.184 225 Y HN 0.656 nan 8.280 nan 0.000 0.469 226 A N 4.540 127.438 122.820 0.130 0.000 2.273 226 A HA 0.657 4.976 4.320 -0.001 0.000 0.315 226 A C -1.452 176.032 177.584 -0.166 0.000 1.256 226 A CA -0.512 51.519 52.037 -0.010 0.000 0.851 226 A CB -0.135 18.691 19.000 -0.290 0.000 1.172 226 A HN 0.626 nan 8.150 nan 0.000 0.508 227 F N 3.043 123.011 119.950 0.030 0.000 2.371 227 F HA 0.516 5.042 4.527 -0.001 0.000 0.363 227 F C 0.088 175.870 175.800 -0.031 0.000 1.122 227 F CA -0.046 57.963 58.000 0.015 0.000 1.129 227 F CB 1.074 40.150 39.000 0.127 0.000 1.173 227 F HN 0.383 nan 8.300 nan 0.000 0.489 228 L N 2.547 123.754 121.223 -0.026 0.000 2.341 228 L HA 0.823 5.162 4.340 -0.001 0.000 0.267 228 L C 0.418 177.294 176.870 0.010 0.000 1.009 228 L CA -1.155 53.653 54.840 -0.053 0.000 0.819 228 L CB 1.845 43.769 42.059 -0.226 0.000 1.323 228 L HN 0.594 nan 8.230 nan 0.000 0.425 229 G N -0.669 108.162 108.800 0.052 0.000 2.410 229 G HA2 0.358 4.317 3.960 -0.001 0.000 0.330 229 G HA3 0.358 4.317 3.960 -0.001 0.000 0.330 229 G C 0.088 174.998 174.900 0.018 0.000 1.142 229 G CA -0.318 44.827 45.100 0.076 0.000 0.902 229 G HN 0.821 nan 8.290 nan 0.000 0.491 230 D N 0.423 120.830 120.400 0.011 0.000 2.178 230 D HA -0.066 4.574 4.640 -0.001 0.000 0.202 230 D C 2.150 178.453 176.300 0.006 0.000 0.974 230 D CA 1.195 55.192 54.000 -0.005 0.000 0.841 230 D CB -0.448 40.348 40.800 -0.007 0.000 0.953 230 D HN 0.477 nan 8.370 nan 0.000 0.478 231 G N 0.552 109.362 108.800 0.017 0.000 2.418 231 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.217 231 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.217 231 G C 1.468 176.369 174.900 0.002 0.000 1.158 231 G CA 0.778 45.883 45.100 0.009 0.000 0.771 231 G HN 0.496 nan 8.290 nan 0.000 0.545 232 E N -0.117 120.087 120.200 0.006 0.000 2.204 232 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 232 E C 2.176 178.769 176.600 -0.011 0.000 0.990 232 E CA 0.761 57.160 56.400 -0.001 0.000 0.821 232 E CB -0.143 29.566 29.700 0.015 0.000 0.750 232 E HN 0.278 nan 8.360 nan 0.000 0.477 233 M N 0.978 120.572 119.600 -0.010 0.000 2.632 233 M HA -0.067 4.413 4.480 -0.001 0.000 0.256 233 M C 0.728 177.028 176.300 -0.000 0.000 1.080 233 M CA 0.940 56.240 55.300 -0.000 0.000 1.084 233 M CB -0.533 32.078 32.600 0.018 0.000 1.439 233 M HN 0.051 nan 8.290 nan 0.000 0.509 234 D N 0.536 120.933 120.400 -0.004 0.000 2.317 234 D HA -0.011 4.628 4.640 -0.001 0.000 0.211 234 D C 0.466 176.760 176.300 -0.010 0.000 0.966 234 D CA 0.445 54.440 54.000 -0.007 0.000 0.876 234 D CB 0.202 40.999 40.800 -0.005 0.000 0.927 234 D HN 0.269 nan 8.370 nan 0.000 0.519 235 E N 0.753 120.947 120.200 -0.010 0.000 2.376 235 E HA 0.015 4.364 4.350 -0.001 0.000 0.266 235 E C -1.594 174.999 176.600 -0.012 0.000 1.009 235 E CA -1.330 55.063 56.400 -0.010 0.000 0.902 235 E CB 1.060 30.755 29.700 -0.009 0.000 0.972 235 E HN 0.067 nan 8.360 nan 0.000 0.439 236 P HA -0.183 nan 4.420 nan 0.000 0.216 236 P C 0.646 177.938 177.300 -0.013 0.000 1.153 236 P CA 1.297 64.385 63.100 -0.019 0.000 0.858 236 P CB 0.333 32.020 31.700 -0.020 0.000 0.789 237 E N -0.776 119.421 120.200 -0.005 0.000 2.267 237 E HA -0.124 4.225 4.350 -0.001 0.000 0.197 237 E C 2.008 178.624 176.600 0.027 0.000 0.998 237 E CA 1.150 57.555 56.400 0.010 0.000 0.830 237 E CB -1.002 28.703 29.700 0.008 0.000 0.751 237 E HN 0.208 nan 8.360 nan 0.000 0.491 238 S N 0.323 116.030 115.700 0.013 0.000 2.348 238 S HA -0.090 4.379 4.470 -0.001 0.000 0.221 238 S C 1.598 176.237 174.600 0.066 0.000 1.033 238 S CA 1.238 59.453 58.200 0.025 0.000 1.010 238 S CB -0.018 63.181 63.200 -0.002 0.000 0.891 238 S HN 0.208 nan 8.310 nan 0.000 0.442 239 K N 0.138 120.531 120.400 -0.011 0.000 2.367 239 K HA 0.182 4.501 4.320 -0.001 0.000 0.195 239 K C 2.114 178.634 176.600 -0.132 0.000 1.060 239 K CA 0.405 56.614 56.287 -0.130 0.000 1.022 239 K CB -0.038 32.344 32.500 -0.196 0.000 0.894 239 K HN 0.345 nan 8.250 nan 0.000 0.540 240 G N 1.437 110.203 108.800 -0.056 0.000 2.499 240 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.221 240 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.221 240 G C 1.186 176.080 174.900 -0.011 0.000 1.109 240 G CA 1.196 46.273 45.100 -0.038 0.000 0.749 240 G HN 0.331 nan 8.290 nan 0.000 0.568 241 A N 0.132 122.966 122.820 0.024 0.000 2.545 241 A HA 0.420 4.740 4.320 -0.001 0.000 0.263 241 A C 1.914 179.521 177.584 0.038 0.000 1.202 241 A CA 0.273 52.356 52.037 0.076 0.000 0.959 241 A CB -0.057 19.071 19.000 0.214 0.000 1.124 241 A HN 0.540 nan 8.150 nan 0.000 0.543 242 I N -1.560 118.979 120.570 -0.052 0.000 2.567 242 I HA -0.161 4.009 4.170 -0.001 0.000 0.257 242 I C 1.965 178.179 176.117 0.160 0.000 1.184 242 I CA 2.011 63.289 61.300 -0.037 0.000 1.451 242 I CB -0.887 36.732 38.000 -0.635 0.000 1.089 242 I HN 0.236 nan 8.210 nan 0.000 0.441 243 T N -0.797 113.777 114.554 0.033 0.000 3.035 243 T HA 0.028 4.377 4.350 -0.001 0.000 0.268 243 T C 1.828 176.538 174.700 0.017 0.000 1.109 243 T CA 0.517 62.647 62.100 0.050 0.000 1.119 243 T CB -0.422 68.443 68.868 -0.005 0.000 0.900 243 T HN 0.288 nan 8.240 nan 0.000 0.503 244 I N 2.398 122.964 120.570 -0.007 0.000 2.286 244 I HA -0.032 4.138 4.170 -0.001 0.000 0.248 244 I C 3.004 179.035 176.117 -0.143 0.000 1.115 244 I CA 0.977 62.227 61.300 -0.083 0.000 1.392 244 I CB -1.725 36.178 38.000 -0.162 0.000 1.065 244 I HN 0.398 nan 8.210 nan 0.000 0.418 245 A N -0.082 122.657 122.820 -0.135 0.000 2.015 245 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 245 A C 2.401 179.761 177.584 -0.374 0.000 1.163 245 A CA 2.016 53.864 52.037 -0.315 0.000 0.646 245 A CB -0.755 17.950 19.000 -0.492 0.000 0.806 245 A HN 0.410 nan 8.150 nan 0.000 0.448 246 T N -0.768 113.642 114.554 -0.240 0.000 2.814 246 T HA -0.032 4.318 4.350 -0.001 0.000 0.254 246 T C 2.081 176.692 174.700 -0.148 0.000 1.037 246 T CA 1.010 62.983 62.100 -0.211 0.000 1.143 246 T CB -0.171 68.643 68.868 -0.091 0.000 0.866 246 T HN 0.479 nan 8.240 nan 0.000 0.431 247 R N 1.254 121.691 120.500 -0.105 0.000 2.096 247 R HA -0.068 4.271 4.340 -0.001 0.000 0.240 247 R C 1.827 178.067 176.300 -0.101 0.000 1.139 247 R CA 1.176 57.225 56.100 -0.086 0.000 0.952 247 R CB -0.169 30.093 30.300 -0.063 0.000 0.854 247 R HN 0.352 nan 8.270 nan 0.000 0.436 248 E N 1.000 121.129 120.200 -0.119 0.000 2.445 248 E HA 0.004 4.353 4.350 -0.001 0.000 0.189 248 E C -0.300 176.229 176.600 -0.118 0.000 1.069 248 E CA 0.024 56.363 56.400 -0.102 0.000 0.871 248 E CB 0.101 29.747 29.700 -0.091 0.000 0.991 248 E HN 0.223 nan 8.360 nan 0.000 0.481 249 K N 1.010 121.316 120.400 -0.156 0.000 3.777 249 K HA -0.179 4.140 4.320 -0.001 0.000 0.276 249 K C -0.307 176.174 176.600 -0.199 0.000 0.877 249 K CA 0.260 56.441 56.287 -0.176 0.000 0.724 249 K CB -1.508 30.922 32.500 -0.117 0.000 1.589 249 K HN 0.226 nan 8.250 nan 0.000 0.444 250 L N 2.156 123.211 121.223 -0.281 0.000 2.399 250 L HA 0.065 4.404 4.340 -0.001 0.000 0.257 250 L C 0.781 177.449 176.870 -0.337 0.000 1.236 250 L CA -0.363 54.306 54.840 -0.285 0.000 1.144 250 L CB -0.049 41.822 42.059 -0.312 0.000 1.379 250 L HN 0.284 nan 8.230 nan 0.000 0.414 251 D N -0.865 119.380 120.400 -0.259 0.000 2.338 251 D HA -0.111 4.528 4.640 -0.001 0.000 0.239 251 D C 1.067 177.231 176.300 -0.226 0.000 1.095 251 D CA 0.105 53.956 54.000 -0.248 0.000 0.888 251 D CB -0.087 40.604 40.800 -0.183 0.000 0.899 251 D HN 0.425 nan 8.370 nan 0.000 0.525 252 N N 0.243 118.808 118.700 -0.226 0.000 2.214 252 N HA 0.079 4.818 4.740 -0.001 0.000 0.214 252 N C -0.353 175.009 175.510 -0.246 0.000 1.132 252 N CA -0.426 52.504 53.050 -0.200 0.000 0.856 252 N CB 0.303 38.703 38.487 -0.145 0.000 1.020 252 N HN 0.208 nan 8.380 nan 0.000 0.509 253 L N 0.476 121.517 121.223 -0.304 0.000 2.341 253 L HA 0.660 5.000 4.340 -0.001 0.000 0.278 253 L C -1.321 175.356 176.870 -0.323 0.000 1.005 253 L CA -0.828 53.829 54.840 -0.306 0.000 0.818 253 L CB 2.142 43.992 42.059 -0.348 0.000 1.259 253 L HN -0.131 nan 8.230 nan 0.000 0.418 254 V N 5.317 125.096 119.914 -0.225 0.000 2.569 254 V HA 0.454 4.573 4.120 -0.001 0.000 0.301 254 V C -0.892 175.280 176.094 0.130 0.000 1.044 254 V CA -0.476 61.736 62.300 -0.146 0.000 0.874 254 V CB 1.565 33.225 31.823 -0.273 0.000 1.002 254 V HN 0.488 nan 8.190 nan 0.000 0.424 255 F N 3.828 123.729 119.950 -0.082 0.000 2.408 255 F HA 0.635 5.161 4.527 -0.001 0.000 0.344 255 F C 0.186 175.780 175.800 -0.343 0.000 1.112 255 F CA -1.135 56.760 58.000 -0.175 0.000 1.096 255 F CB 1.942 40.817 39.000 -0.208 0.000 1.129 255 F HN 0.169 nan 8.300 nan 0.000 0.486 256 V N 6.124 125.857 119.914 -0.302 0.000 2.378 256 V HA 0.404 4.523 4.120 -0.001 0.000 0.288 256 V C -0.028 175.886 176.094 -0.299 0.000 1.016 256 V CA -0.621 61.429 62.300 -0.416 0.000 0.840 256 V CB 1.624 32.980 31.823 -0.777 0.000 0.994 256 V HN 0.458 nan 8.190 nan 0.000 0.431 257 I N 4.258 124.683 120.570 -0.243 0.000 2.371 257 I HA 0.318 4.487 4.170 -0.001 0.000 0.282 257 I C 0.201 176.248 176.117 -0.117 0.000 1.031 257 I CA -0.477 60.717 61.300 -0.176 0.000 1.180 257 I CB 1.247 39.122 38.000 -0.209 0.000 1.336 257 I HN 0.505 nan 8.210 nan 0.000 0.467 258 N N 6.095 124.769 118.700 -0.042 0.000 2.416 258 N HA 0.035 4.774 4.740 -0.001 0.000 0.271 258 N C -0.770 174.727 175.510 -0.023 0.000 1.245 258 N CA -0.043 52.999 53.050 -0.013 0.000 0.940 258 N CB 0.396 38.927 38.487 0.073 0.000 1.175 258 N HN 0.533 nan 8.380 nan 0.000 0.483 259 C N 4.414 123.681 119.300 -0.055 0.000 2.136 259 C HA 0.256 4.715 4.460 -0.001 0.000 0.381 259 C C 1.077 176.089 174.990 0.036 0.000 1.039 259 C CA -1.027 57.968 59.018 -0.038 0.000 1.491 259 C CB -1.615 26.056 27.740 -0.116 0.000 1.663 259 C HN 0.696 nan 8.230 nan 0.000 0.470 260 N N 1.684 120.412 118.700 0.046 0.000 2.320 260 N HA 0.116 4.855 4.740 -0.001 0.000 0.237 260 N C 0.944 176.510 175.510 0.093 0.000 1.129 260 N CA -0.415 52.677 53.050 0.070 0.000 0.854 260 N CB -0.454 38.072 38.487 0.066 0.000 1.083 260 N HN 0.674 nan 8.380 nan 0.000 0.504 261 L N -2.621 118.653 121.223 0.086 0.000 5.385 261 L HA -0.366 3.973 4.340 -0.001 0.000 0.450 261 L C -0.215 176.704 176.870 0.081 0.000 0.995 261 L CA 1.700 56.593 54.840 0.088 0.000 1.055 261 L CB -1.439 40.700 42.059 0.134 0.000 1.558 261 L HN 0.413 nan 8.230 nan 0.000 0.723 262 Q N 0.644 120.494 119.800 0.084 0.000 2.331 262 Q HA 0.428 4.767 4.340 -0.001 0.000 0.257 262 Q C 0.229 176.267 176.000 0.062 0.000 0.957 262 Q CA -0.324 55.525 55.803 0.076 0.000 0.923 262 Q CB 1.716 30.507 28.738 0.088 0.000 1.212 262 Q HN 0.205 nan 8.270 nan 0.000 0.443 263 R N 2.805 123.334 120.500 0.048 0.000 2.459 263 R HA 0.107 4.446 4.340 -0.001 0.000 0.281 263 R C 1.064 177.384 176.300 0.032 0.000 1.050 263 R CA -0.627 55.492 56.100 0.032 0.000 1.055 263 R CB 0.490 30.803 30.300 0.023 0.000 1.045 263 R HN 0.622 nan 8.270 nan 0.000 0.495 264 L N 1.963 123.197 121.223 0.018 0.000 2.119 264 L HA -0.288 4.052 4.340 -0.001 0.000 0.226 264 L C 1.070 177.962 176.870 0.037 0.000 1.093 264 L CA 2.311 57.166 54.840 0.026 0.000 0.806 264 L CB -0.855 41.206 42.059 0.004 0.000 0.902 264 L HN 0.922 nan 8.230 nan 0.000 0.444 265 D N -1.445 118.972 120.400 0.029 0.000 2.339 265 D HA 0.185 4.825 4.640 -0.001 0.000 0.217 265 D C 1.001 177.321 176.300 0.034 0.000 1.050 265 D CA 0.852 54.870 54.000 0.031 0.000 0.856 265 D CB 0.878 41.692 40.800 0.023 0.000 0.922 265 D HN 0.565 nan 8.370 nan 0.000 0.518 266 G N 0.838 109.660 108.800 0.037 0.000 2.441 266 G HA2 0.057 4.016 3.960 -0.001 0.000 0.222 266 G HA3 0.057 4.016 3.960 -0.001 0.000 0.222 266 G C -2.949 171.979 174.900 0.046 0.000 1.254 266 G CA -0.725 44.400 45.100 0.042 0.000 0.959 266 G HN -0.126 nan 8.290 nan 0.000 0.474 267 P HA 0.425 nan 4.420 nan 0.000 0.286 267 P C 0.741 178.066 177.300 0.041 0.000 1.261 267 P CA -0.231 62.901 63.100 0.052 0.000 0.821 267 P CB 2.209 33.944 31.700 0.059 0.000 1.013 268 V N 1.050 120.989 119.914 0.041 0.000 3.041 268 V HA -0.008 4.112 4.120 -0.001 0.000 0.260 268 V C 0.975 177.087 176.094 0.029 0.000 1.105 268 V CA 1.892 64.210 62.300 0.030 0.000 1.125 268 V CB -1.196 30.643 31.823 0.026 0.000 0.730 268 V HN 0.857 nan 8.190 nan 0.000 0.479 269 T N -3.381 111.196 114.554 0.038 0.000 3.795 269 T HA 0.250 4.600 4.350 -0.001 0.000 0.215 269 T C 0.850 175.579 174.700 0.048 0.000 0.588 269 T CA -0.044 62.078 62.100 0.036 0.000 1.174 269 T CB 0.034 68.919 68.868 0.029 0.000 1.136 269 T HN 0.203 nan 8.240 nan 0.000 0.538 270 G N 2.501 111.329 108.800 0.048 0.000 2.491 270 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.218 270 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.218 270 G C 1.364 176.295 174.900 0.052 0.000 1.180 270 G CA 0.863 45.996 45.100 0.055 0.000 0.774 270 G HN 0.625 nan 8.290 nan 0.000 0.562 271 N N 1.376 120.098 118.700 0.037 0.000 2.515 271 N HA 0.047 4.786 4.740 -0.001 0.000 0.185 271 N C 1.203 176.730 175.510 0.028 0.000 1.109 271 N CA 0.836 53.904 53.050 0.030 0.000 0.903 271 N CB 0.347 38.846 38.487 0.020 0.000 0.969 271 N HN 0.389 nan 8.380 nan 0.000 0.450 272 G N -0.039 108.780 108.800 0.033 0.000 3.119 272 G HA2 0.514 4.473 3.960 -0.001 0.000 0.206 272 G HA3 0.514 4.473 3.960 -0.001 0.000 0.206 272 G C -0.777 174.143 174.900 0.032 0.000 1.313 272 G CA -0.433 44.682 45.100 0.025 0.000 1.010 272 G HN -0.053 nan 8.290 nan 0.000 0.578 273 K N 0.377 120.788 120.400 0.019 0.000 2.701 273 K HA 0.220 4.539 4.320 -0.001 0.000 0.212 273 K C 0.360 176.975 176.600 0.026 0.000 1.035 273 K CA -0.570 55.728 56.287 0.019 0.000 1.048 273 K CB 1.830 34.308 32.500 -0.036 0.000 1.234 273 K HN 0.270 nan 8.250 nan 0.000 0.540 274 I N 2.084 122.669 120.570 0.024 0.000 2.381 274 I HA -0.290 3.880 4.170 -0.001 0.000 0.255 274 I C 1.430 177.544 176.117 -0.005 0.000 1.140 274 I CA 1.678 62.984 61.300 0.010 0.000 1.404 274 I CB -0.024 37.980 38.000 0.007 0.000 1.075 274 I HN 0.609 nan 8.210 nan 0.000 0.433 275 I N 0.018 120.585 120.570 -0.006 0.000 2.286 275 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 275 I C 1.928 178.045 176.117 0.000 0.000 1.104 275 I CA 0.892 62.167 61.300 -0.042 0.000 1.397 275 I CB -0.496 37.452 38.000 -0.088 0.000 1.072 275 I HN 0.249 nan 8.210 nan 0.000 0.417 276 N N 0.569 119.299 118.700 0.050 0.000 2.309 276 N HA -0.196 4.543 4.740 -0.001 0.000 0.182 276 N C 1.683 177.206 175.510 0.022 0.000 1.018 276 N CA 0.956 54.033 53.050 0.045 0.000 0.876 276 N CB -0.160 38.356 38.487 0.048 0.000 0.972 276 N HN 0.461 nan 8.380 nan 0.000 0.434 277 E N 0.361 120.571 120.200 0.016 0.000 2.028 277 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 277 E C 1.518 178.133 176.600 0.025 0.000 0.988 277 E CA 0.603 57.010 56.400 0.013 0.000 0.799 277 E CB 0.093 29.798 29.700 0.008 0.000 0.755 277 E HN -0.004 nan 8.360 nan 0.000 0.447 278 L N 1.754 122.996 121.223 0.032 0.000 1.989 278 L HA -0.200 4.139 4.340 -0.001 0.000 0.211 278 L C 2.525 179.470 176.870 0.125 0.000 1.071 278 L CA 2.119 57.015 54.840 0.094 0.000 0.749 278 L CB -1.579 40.490 42.059 0.017 0.000 0.890 278 L HN 0.363 nan 8.230 nan 0.000 0.431 279 E N -0.440 119.780 120.200 0.033 0.000 2.033 279 E HA -0.238 4.111 4.350 -0.001 0.000 0.199 279 E C 2.140 178.771 176.600 0.052 0.000 1.011 279 E CA 1.573 57.990 56.400 0.027 0.000 0.815 279 E CB -0.381 29.313 29.700 -0.010 0.000 0.755 279 E HN 0.455 nan 8.360 nan 0.000 0.451 280 G N 1.563 110.381 108.800 0.030 0.000 2.513 280 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.219 280 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.219 280 G C 1.642 176.543 174.900 0.000 0.000 1.160 280 G CA 1.120 46.229 45.100 0.015 0.000 0.767 280 G HN 0.456 nan 8.290 nan 0.000 0.571 281 I N -1.452 119.110 120.570 -0.013 0.000 2.500 281 I HA 0.116 4.286 4.170 -0.001 0.000 0.252 281 I C 2.231 178.231 176.117 -0.195 0.000 1.142 281 I CA 0.538 61.778 61.300 -0.100 0.000 1.451 281 I CB 0.068 37.983 38.000 -0.142 0.000 1.093 281 I HN 0.152 nan 8.210 nan 0.000 0.430 282 F N 1.083 120.924 119.950 -0.183 0.000 2.293 282 F HA -0.128 4.399 4.527 -0.001 0.000 0.297 282 F C 2.419 178.171 175.800 -0.080 0.000 1.089 282 F CA 1.329 59.163 58.000 -0.278 0.000 1.377 282 F CB -0.136 38.651 39.000 -0.354 0.000 1.051 282 F HN 0.064 nan 8.300 nan 0.000 0.511 283 E N 0.019 120.292 120.200 0.122 0.000 2.072 283 E HA -0.093 4.256 4.350 -0.001 0.000 0.191 283 E C 2.482 179.114 176.600 0.054 0.000 0.985 283 E CA 1.370 57.827 56.400 0.094 0.000 0.801 283 E CB -0.663 29.069 29.700 0.054 0.000 0.750 283 E HN 0.272 nan 8.360 nan 0.000 0.452 284 G N -0.106 108.699 108.800 0.010 0.000 2.443 284 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.219 284 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.219 284 G C 1.547 176.439 174.900 -0.014 0.000 1.131 284 G CA 0.648 45.741 45.100 -0.012 0.000 0.775 284 G HN 0.392 nan 8.290 nan 0.000 0.547 285 A N -0.521 122.282 122.820 -0.028 0.000 2.167 285 A HA 0.445 4.765 4.320 -0.001 0.000 0.214 285 A C 2.070 179.738 177.584 0.141 0.000 1.151 285 A CA 1.539 53.577 52.037 0.001 0.000 0.735 285 A CB -0.312 18.596 19.000 -0.153 0.000 0.802 285 A HN 1.530 nan 8.150 nan 0.000 0.467 286 G N -3.321 105.573 108.800 0.156 0.000 2.201 286 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.212 286 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.212 286 G C -0.097 174.885 174.900 0.137 0.000 0.994 286 G CA -0.166 45.001 45.100 0.111 0.000 0.644 286 G HN 0.320 nan 8.290 nan 0.000 0.508 287 W N 1.300 122.577 121.300 -0.039 0.000 2.123 287 W HA 0.532 5.192 4.660 -0.001 0.000 0.351 287 W C 0.691 177.182 176.519 -0.046 0.000 1.292 287 W CA 0.095 57.423 57.345 -0.029 0.000 1.263 287 W CB 0.265 29.784 29.460 0.098 0.000 1.165 287 W HN 0.279 nan 8.180 nan 0.000 0.590 288 N N 1.230 119.987 118.700 0.095 0.000 2.414 288 N HA 0.339 5.079 4.740 -0.001 0.000 0.256 288 N C -1.577 173.950 175.510 0.028 0.000 1.029 288 N CA -0.204 52.855 53.050 0.015 0.000 0.948 288 N CB 0.617 39.062 38.487 -0.071 0.000 1.102 288 N HN 0.114 nan 8.380 nan 0.000 0.496 289 V N 5.001 124.923 119.914 0.014 0.000 2.427 289 V HA 0.438 4.558 4.120 -0.001 0.000 0.286 289 V C 0.304 176.342 176.094 -0.093 0.000 1.034 289 V CA -0.619 61.656 62.300 -0.041 0.000 0.893 289 V CB 0.824 32.633 31.823 -0.023 0.000 0.982 289 V HN 0.586 nan 8.190 nan 0.000 0.452 290 I N 4.609 125.090 120.570 -0.149 0.000 2.418 290 I HA 0.451 4.620 4.170 -0.001 0.000 0.287 290 I C -0.200 175.797 176.117 -0.199 0.000 1.008 290 I CA -0.624 60.577 61.300 -0.165 0.000 1.104 290 I CB 1.799 39.681 38.000 -0.196 0.000 1.264 290 I HN 0.483 nan 8.210 nan 0.000 0.438 291 K N 5.107 125.395 120.400 -0.186 0.000 2.240 291 K HA 0.505 4.824 4.320 -0.001 0.000 0.271 291 K C -0.794 175.660 176.600 -0.244 0.000 1.018 291 K CA -0.489 55.655 56.287 -0.239 0.000 0.874 291 K CB 2.086 34.437 32.500 -0.249 0.000 1.098 291 K HN 0.308 nan 8.250 nan 0.000 0.458 292 V N 6.148 125.900 119.914 -0.270 0.000 2.217 292 V HA 0.058 4.177 4.120 -0.001 0.000 0.264 292 V C 0.694 176.576 176.094 -0.353 0.000 1.107 292 V CA -0.270 61.889 62.300 -0.236 0.000 0.913 292 V CB 0.618 32.340 31.823 -0.170 0.000 1.153 292 V HN 0.842 nan 8.190 nan 0.000 0.469 293 M N 1.653 120.954 119.600 -0.498 0.000 2.191 293 M HA 0.181 4.660 4.480 -0.001 0.000 0.262 293 M C 0.328 175.999 176.300 -1.048 0.000 1.083 293 M CA 1.252 55.974 55.300 -0.963 0.000 1.154 293 M CB -0.175 31.630 32.600 -1.326 0.000 1.344 293 M HN 0.500 nan 8.290 nan 0.000 0.431 294 W N -0.307 120.847 121.300 -0.243 0.000 2.864 294 W HA 0.640 5.299 4.660 -0.001 0.000 0.343 294 W C 0.481 176.990 176.519 -0.015 0.000 1.109 294 W CA -1.245 55.943 57.345 -0.261 0.000 1.192 294 W CB 0.637 29.669 29.460 -0.714 0.000 1.426 294 W HN 0.103 nan 8.180 nan 0.000 0.529 295 G N 0.254 109.330 108.800 0.460 0.000 2.599 295 G HA2 0.235 4.194 3.960 -0.001 0.000 0.264 295 G HA3 0.235 4.194 3.960 -0.001 0.000 0.264 295 G C 0.660 175.826 174.900 0.443 0.000 1.200 295 G CA -0.434 44.901 45.100 0.390 0.000 0.896 295 G HN 0.549 nan 8.290 nan 0.000 0.536 296 S N -0.049 115.820 115.700 0.281 0.000 2.407 296 S HA -0.194 4.275 4.470 -0.001 0.000 0.235 296 S C 2.379 177.136 174.600 0.262 0.000 1.036 296 S CA 1.407 59.748 58.200 0.235 0.000 1.013 296 S CB -0.221 63.066 63.200 0.145 0.000 0.820 296 S HN 0.629 nan 8.310 nan 0.000 0.476 297 R N -0.144 120.511 120.500 0.259 0.000 2.170 297 R HA -0.146 4.193 4.340 -0.001 0.000 0.242 297 R C 1.795 178.249 176.300 0.256 0.000 1.145 297 R CA 1.683 57.894 56.100 0.185 0.000 0.984 297 R CB -0.338 30.015 30.300 0.088 0.000 0.869 297 R HN 0.530 nan 8.270 nan 0.000 0.455 298 W N 1.014 122.437 121.300 0.204 0.000 2.523 298 W HA 0.019 4.679 4.660 -0.001 0.000 0.278 298 W C 1.679 178.284 176.519 0.144 0.000 1.236 298 W CA 0.107 57.547 57.345 0.159 0.000 1.306 298 W CB -0.296 29.196 29.460 0.054 0.000 1.101 298 W HN -0.024 nan 8.180 nan 0.000 0.577 299 D N 0.861 121.482 120.400 0.369 0.000 2.230 299 D HA -0.288 4.351 4.640 -0.001 0.000 0.189 299 D C 1.678 178.105 176.300 0.211 0.000 1.006 299 D CA 2.220 56.367 54.000 0.246 0.000 0.853 299 D CB -0.752 40.163 40.800 0.190 0.000 0.959 299 D HN 0.128 nan 8.370 nan 0.000 0.449 300 E N 0.111 120.430 120.200 0.198 0.000 2.219 300 E HA -0.146 4.203 4.350 -0.001 0.000 0.198 300 E C 1.857 178.576 176.600 0.198 0.000 0.998 300 E CA 0.267 56.770 56.400 0.171 0.000 0.818 300 E CB -0.271 29.520 29.700 0.152 0.000 0.741 300 E HN 0.139 nan 8.360 nan 0.000 0.477 301 L N 0.057 121.432 121.223 0.253 0.000 2.007 301 L HA -0.042 4.298 4.340 -0.001 0.000 0.205 301 L C 2.010 178.999 176.870 0.198 0.000 1.073 301 L CA 1.524 56.499 54.840 0.225 0.000 0.744 301 L CB -1.182 41.020 42.059 0.238 0.000 0.898 301 L HN 0.254 nan 8.230 nan 0.000 0.435 302 L N -0.410 120.949 121.223 0.225 0.000 2.351 302 L HA -0.228 4.112 4.340 -0.001 0.000 0.220 302 L C 2.649 179.594 176.870 0.125 0.000 1.127 302 L CA 0.981 55.922 54.840 0.168 0.000 0.786 302 L CB -0.651 41.502 42.059 0.157 0.000 0.914 302 L HN 0.382 nan 8.230 nan 0.000 0.443 303 R N 1.105 121.680 120.500 0.125 0.000 2.064 303 R HA -0.102 4.237 4.340 -0.001 0.000 0.221 303 R C 2.309 178.659 176.300 0.083 0.000 1.136 303 R CA 0.818 56.975 56.100 0.096 0.000 0.980 303 R CB -0.017 30.340 30.300 0.094 0.000 0.876 303 R HN 0.135 nan 8.270 nan 0.000 0.437 304 K N 0.635 121.090 120.400 0.092 0.000 2.442 304 K HA -0.162 4.158 4.320 -0.001 0.000 0.199 304 K C -0.035 176.605 176.600 0.065 0.000 1.044 304 K CA 1.380 57.713 56.287 0.076 0.000 0.941 304 K CB -0.084 32.468 32.500 0.087 0.000 0.759 304 K HN 0.027 nan 8.250 nan 0.000 0.472 305 D N 0.970 121.415 120.400 0.074 0.000 3.057 305 D HA -0.025 4.615 4.640 -0.001 0.000 0.246 305 D C 0.506 176.833 176.300 0.045 0.000 1.238 305 D CA 0.044 54.081 54.000 0.062 0.000 0.949 305 D CB 0.246 41.095 40.800 0.082 0.000 1.086 305 D HN 0.204 nan 8.370 nan 0.000 0.487 306 T N -2.442 112.134 114.554 0.038 0.000 3.320 306 T HA -0.127 4.222 4.350 -0.001 0.000 0.262 306 T C 1.403 176.112 174.700 0.016 0.000 1.187 306 T CA 0.996 63.113 62.100 0.028 0.000 1.038 306 T CB -0.351 68.532 68.868 0.026 0.000 0.939 306 T HN 0.131 nan 8.240 nan 0.000 0.550 307 S N -1.099 114.608 115.700 0.012 0.000 2.505 307 S HA 0.472 4.942 4.470 -0.001 0.000 0.216 307 S C 2.042 176.629 174.600 -0.022 0.000 1.018 307 S CA 0.523 58.719 58.200 -0.007 0.000 0.911 307 S CB -0.298 62.895 63.200 -0.011 0.000 0.818 307 S HN 1.160 nan 8.310 nan 0.000 0.497 308 G N 1.732 110.528 108.800 -0.008 0.000 2.212 308 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.266 308 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.266 308 G C 0.916 175.784 174.900 -0.052 0.000 0.978 308 G CA 0.800 45.890 45.100 -0.017 0.000 0.632 308 G HN 0.502 nan 8.290 nan 0.000 0.537 309 K N 0.281 120.629 120.400 -0.087 0.000 2.032 309 K HA 0.148 4.467 4.320 -0.001 0.000 0.209 309 K C 2.424 178.961 176.600 -0.105 0.000 1.048 309 K CA 1.625 57.801 56.287 -0.184 0.000 0.927 309 K CB -0.596 31.768 32.500 -0.226 0.000 0.712 309 K HN 0.460 nan 8.250 nan 0.000 0.441 310 L N 0.400 121.619 121.223 -0.006 0.000 2.351 310 L HA -0.194 4.145 4.340 -0.001 0.000 0.220 310 L C 1.424 178.304 176.870 0.017 0.000 1.127 310 L CA 0.904 55.762 54.840 0.030 0.000 0.786 310 L CB -0.119 42.025 42.059 0.142 0.000 0.914 310 L HN 0.228 nan 8.230 nan 0.000 0.443 311 I N -0.799 119.781 120.570 0.015 0.000 2.480 311 I HA -0.199 3.970 4.170 -0.001 0.000 0.251 311 I C 2.398 178.536 176.117 0.035 0.000 1.124 311 I CA 1.002 62.330 61.300 0.046 0.000 1.444 311 I CB -1.003 37.022 38.000 0.042 0.000 1.098 311 I HN 0.399 nan 8.210 nan 0.000 0.428 312 Q N 0.618 120.399 119.800 -0.032 0.000 2.046 312 Q HA -0.219 4.121 4.340 -0.001 0.000 0.200 312 Q C 2.304 178.300 176.000 -0.007 0.000 0.975 312 Q CA 1.448 57.223 55.803 -0.046 0.000 0.836 312 Q CB -0.191 28.454 28.738 -0.155 0.000 0.896 312 Q HN 0.303 nan 8.270 nan 0.000 0.428 313 L N 0.798 122.001 121.223 -0.032 0.000 2.043 313 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 313 L C 2.223 179.064 176.870 -0.048 0.000 1.075 313 L CA 1.873 56.666 54.840 -0.077 0.000 0.752 313 L CB -0.607 41.273 42.059 -0.297 0.000 0.891 313 L HN 0.293 nan 8.230 nan 0.000 0.432 314 M N -0.994 118.666 119.600 0.099 0.000 2.099 314 M HA -0.163 4.316 4.480 -0.001 0.000 0.262 314 M C 1.894 178.381 176.300 0.312 0.000 1.067 314 M CA 1.512 57.046 55.300 0.389 0.000 1.124 314 M CB -0.456 32.384 32.600 0.400 0.000 1.353 314 M HN 0.304 nan 8.290 nan 0.000 0.410 315 N N 0.725 119.529 118.700 0.174 0.000 2.188 315 N HA -0.175 4.565 4.740 -0.001 0.000 0.184 315 N C 1.530 177.038 175.510 -0.003 0.000 1.018 315 N CA 1.667 54.764 53.050 0.078 0.000 0.858 315 N CB -0.441 38.092 38.487 0.077 0.000 0.989 315 N HN 0.595 nan 8.380 nan 0.000 0.426 316 E N 0.087 120.298 120.200 0.019 0.000 2.107 316 E HA -0.027 4.322 4.350 -0.001 0.000 0.191 316 E C 0.017 176.610 176.600 -0.013 0.000 0.982 316 E CA 0.575 56.979 56.400 0.006 0.000 0.809 316 E CB -0.428 29.292 29.700 0.034 0.000 0.756 316 E HN -0.101 nan 8.360 nan 0.000 0.459 317 T N 1.944 116.488 114.554 -0.018 0.000 2.908 317 T HA 0.113 4.463 4.350 -0.001 0.000 0.301 317 T C -0.287 174.385 174.700 -0.047 0.000 1.019 317 T CA -0.123 61.928 62.100 -0.081 0.000 1.152 317 T CB 1.422 70.148 68.868 -0.237 0.000 0.966 317 T HN 0.059 nan 8.240 nan 0.000 0.540 318 V N 3.513 123.424 119.914 -0.004 0.000 2.617 318 V HA 0.142 4.262 4.120 -0.001 0.000 0.298 318 V C 1.016 177.228 176.094 0.196 0.000 1.048 318 V CA -0.477 61.866 62.300 0.072 0.000 0.964 318 V CB 1.551 33.398 31.823 0.040 0.000 1.004 318 V HN 0.884 nan 8.190 nan 0.000 0.466 319 D N 3.881 124.416 120.400 0.225 0.000 2.230 319 D HA -0.208 4.431 4.640 -0.001 0.000 0.189 319 D C 1.943 178.391 176.300 0.246 0.000 1.006 319 D CA 2.116 56.285 54.000 0.280 0.000 0.853 319 D CB -0.727 40.171 40.800 0.163 0.000 0.959 319 D HN 0.800 nan 8.370 nan 0.000 0.449 320 G N 1.079 109.965 108.800 0.143 0.000 2.574 320 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.220 320 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.220 320 G C 1.347 176.301 174.900 0.090 0.000 1.173 320 G CA 1.507 46.668 45.100 0.101 0.000 0.772 320 G HN 0.237 nan 8.290 nan 0.000 0.585 321 D N -0.034 120.407 120.400 0.068 0.000 2.108 321 D HA -0.145 4.494 4.640 -0.001 0.000 0.190 321 D C 2.204 178.532 176.300 0.046 0.000 0.995 321 D CA 1.250 55.230 54.000 -0.033 0.000 0.834 321 D CB -0.422 40.368 40.800 -0.017 0.000 0.967 321 D HN 0.343 nan 8.370 nan 0.000 0.446 322 Y N 1.431 121.933 120.300 0.337 0.000 2.271 322 Y HA -0.228 4.322 4.550 -0.001 0.000 0.284 322 Y C 2.608 178.730 175.900 0.370 0.000 1.189 322 Y CA 1.131 59.550 58.100 0.532 0.000 1.229 322 Y CB -0.210 38.504 38.460 0.424 0.000 0.973 322 Y HN 0.074 nan 8.280 nan 0.000 0.537 323 Q N -1.028 118.976 119.800 0.340 0.000 2.123 323 Q HA -0.096 4.243 4.340 -0.001 0.000 0.196 323 Q C 2.467 178.543 176.000 0.125 0.000 0.958 323 Q CA 1.823 57.758 55.803 0.220 0.000 0.841 323 Q CB -1.080 27.752 28.738 0.157 0.000 0.915 323 Q HN 0.635 nan 8.270 nan 0.000 0.455 324 T N -0.987 113.567 114.554 -0.001 0.000 2.822 324 T HA -0.149 4.200 4.350 -0.001 0.000 0.270 324 T C 1.664 176.278 174.700 -0.144 0.000 1.064 324 T CA 1.033 63.066 62.100 -0.110 0.000 1.131 324 T CB -0.388 68.376 68.868 -0.173 0.000 0.858 324 T HN -0.023 nan 8.240 nan 0.000 0.483 325 F N 2.361 122.366 119.950 0.092 0.000 2.009 325 F HA 0.117 4.644 4.527 -0.001 0.000 0.293 325 F C 2.601 178.478 175.800 0.127 0.000 1.156 325 F CA 1.182 59.241 58.000 0.098 0.000 1.168 325 F CB -0.919 38.170 39.000 0.148 0.000 0.981 325 F HN 0.085 nan 8.300 nan 0.000 0.475 326 K N 0.574 121.163 120.400 0.316 0.000 2.270 326 K HA -0.276 4.043 4.320 -0.001 0.000 0.208 326 K C 0.200 176.991 176.600 0.317 0.000 1.041 326 K CA 1.914 58.291 56.287 0.150 0.000 0.935 326 K CB -0.521 32.063 32.500 0.141 0.000 0.731 326 K HN 0.382 nan 8.250 nan 0.000 0.482 327 S N 0.269 116.116 115.700 0.245 0.000 2.252 327 S HA 0.430 4.899 4.470 -0.001 0.000 0.180 327 S C -0.607 173.990 174.600 -0.004 0.000 1.534 327 S CA -1.002 57.304 58.200 0.176 0.000 1.141 327 S CB 1.160 64.409 63.200 0.082 0.000 1.122 327 S HN 0.145 nan 8.310 nan 0.000 0.475 328 K N 1.311 121.720 120.400 0.015 0.000 1.898 328 K HA 0.403 4.722 4.320 -0.001 0.000 0.251 328 K C -1.906 174.425 176.600 -0.448 0.000 0.625 328 K CA -0.376 55.699 56.287 -0.355 0.000 0.463 328 K CB -0.166 31.726 32.500 -1.013 0.000 1.666 328 K HN 0.646 nan 8.250 nan 0.000 0.513 329 D N -1.629 118.556 120.400 -0.358 0.000 2.717 329 D HA 0.451 5.090 4.640 -0.001 0.000 0.223 329 D C 0.793 177.055 176.300 -0.063 0.000 1.240 329 D CA -0.183 53.471 54.000 -0.577 0.000 0.801 329 D CB 0.916 41.458 40.800 -0.429 0.000 1.556 329 D HN 0.468 nan 8.370 nan 0.000 0.462 330 G N 1.285 110.050 108.800 -0.057 0.000 3.982 330 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.261 330 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.261 330 G C 1.551 176.609 174.900 0.262 0.000 0.858 330 G CA 2.619 47.857 45.100 0.229 0.000 0.716 330 G HN 1.506 nan 8.290 nan 0.000 1.446 331 A N -1.004 121.925 122.820 0.182 0.000 1.913 331 A HA -0.356 3.964 4.320 -0.001 0.000 0.236 331 A C 2.214 179.963 177.584 0.276 0.000 1.760 331 A CA 3.351 55.501 52.037 0.188 0.000 0.740 331 A CB -1.356 17.723 19.000 0.131 0.000 0.847 331 A HN 1.331 nan 8.150 nan 0.000 0.508 332 Y N 0.331 120.730 120.300 0.165 0.000 2.096 332 Y HA -0.292 4.258 4.550 -0.001 0.000 0.276 332 Y C 2.468 178.546 175.900 0.298 0.000 1.209 332 Y CA 2.219 60.421 58.100 0.170 0.000 1.137 332 Y CB -0.622 37.848 38.460 0.018 0.000 0.956 332 Y HN 0.127 nan 8.280 nan 0.000 0.506 333 V N 1.134 121.412 119.914 0.606 0.000 2.221 333 V HA -0.314 3.806 4.120 -0.001 0.000 0.242 333 V C 2.279 178.653 176.094 0.467 0.000 1.041 333 V CA 2.399 65.030 62.300 0.551 0.000 0.995 333 V CB -0.862 31.191 31.823 0.384 0.000 0.635 333 V HN 0.507 nan 8.190 nan 0.000 0.448 334 R N 0.638 121.372 120.500 0.391 0.000 2.397 334 R HA -0.145 4.194 4.340 -0.001 0.000 0.213 334 R C 1.695 178.153 176.300 0.265 0.000 1.102 334 R CA 1.764 58.066 56.100 0.337 0.000 1.040 334 R CB -0.230 30.184 30.300 0.191 0.000 0.844 334 R HN 0.585 nan 8.270 nan 0.000 0.478 335 E N -0.630 119.750 120.200 0.299 0.000 2.414 335 E HA -0.004 4.345 4.350 -0.001 0.000 0.208 335 E C 0.684 177.389 176.600 0.175 0.000 0.820 335 E CA 0.291 56.809 56.400 0.196 0.000 1.143 335 E CB 0.235 30.037 29.700 0.170 0.000 1.150 335 E HN 0.504 nan 8.360 nan 0.000 0.540 336 H N -1.004 118.158 119.070 0.153 0.000 2.406 336 H HA 0.138 4.694 4.556 -0.001 0.000 0.304 336 H C 1.329 176.837 175.328 0.299 0.000 1.042 336 H CA 1.070 57.233 56.048 0.192 0.000 1.360 336 H CB -0.160 29.792 29.762 0.317 0.000 1.448 336 H HN 0.064 nan 8.280 nan 0.000 0.553 337 F N -0.112 120.062 119.950 0.373 0.000 2.084 337 F HA 0.025 4.551 4.527 -0.001 0.000 0.283 337 F C 1.501 177.255 175.800 -0.076 0.000 1.141 337 F CA 0.792 58.797 58.000 0.009 0.000 1.146 337 F CB -0.544 38.165 39.000 -0.485 0.000 1.035 337 F HN -0.019 nan 8.300 nan 0.000 0.485 338 F N 0.761 120.812 119.950 0.168 0.000 2.641 338 F HA 0.095 4.622 4.527 -0.001 0.000 0.298 338 F C 2.318 178.101 175.800 -0.029 0.000 1.146 338 F CA 0.953 58.958 58.000 0.009 0.000 1.464 338 F CB -1.026 38.000 39.000 0.044 0.000 1.101 338 F HN 0.131 nan 8.300 nan 0.000 0.585 339 G N -0.975 107.908 108.800 0.139 0.000 3.042 339 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.212 339 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.212 339 G C 1.592 176.432 174.900 -0.100 0.000 1.166 339 G CA -0.086 45.039 45.100 0.042 0.000 0.767 339 G HN 0.305 nan 8.290 nan 0.000 0.546 340 K N -0.416 119.841 120.400 -0.238 0.000 2.361 340 K HA 0.153 4.473 4.320 -0.001 0.000 0.196 340 K C -0.684 175.461 176.600 -0.758 0.000 1.039 340 K CA 0.266 56.209 56.287 -0.573 0.000 1.001 340 K CB 0.141 32.138 32.500 -0.839 0.000 0.795 340 K HN 0.257 nan 8.250 nan 0.000 0.495 341 Y N -0.668 119.609 120.300 -0.038 0.000 2.330 341 Y HA 0.284 4.833 4.550 -0.001 0.000 0.324 341 Y C -2.410 173.490 175.900 0.000 0.000 1.093 341 Y CA -2.662 55.422 58.100 -0.025 0.000 1.103 341 Y CB 1.936 40.371 38.460 -0.042 0.000 1.183 341 Y HN -0.053 nan 8.280 nan 0.000 0.433 342 P HA -0.025 nan 4.420 nan 0.000 0.274 342 P C 0.255 177.601 177.300 0.076 0.000 1.370 342 P CA 1.265 64.415 63.100 0.083 0.000 0.760 342 P CB 0.250 31.983 31.700 0.056 0.000 1.308 343 E N -2.477 117.783 120.200 0.100 0.000 2.391 343 E HA -0.032 4.318 4.350 -0.001 0.000 0.206 343 E C 1.740 178.386 176.600 0.076 0.000 0.851 343 E CA 0.679 57.116 56.400 0.062 0.000 1.059 343 E CB 0.085 29.805 29.700 0.032 0.000 1.065 343 E HN 0.261 nan 8.360 nan 0.000 0.512 344 T N -0.946 113.690 114.554 0.137 0.000 2.866 344 T HA 0.134 4.483 4.350 -0.001 0.000 0.250 344 T C 2.153 176.944 174.700 0.153 0.000 1.033 344 T CA 0.637 62.858 62.100 0.202 0.000 1.145 344 T CB -0.262 68.787 68.868 0.302 0.000 0.866 344 T HN 0.066 nan 8.240 nan 0.000 0.434 345 A N 1.635 124.544 122.820 0.150 0.000 2.139 345 A HA 0.264 4.583 4.320 -0.001 0.000 0.221 345 A C 2.573 180.130 177.584 -0.045 0.000 1.159 345 A CA 1.787 53.857 52.037 0.055 0.000 0.662 345 A CB -1.160 17.882 19.000 0.070 0.000 0.796 345 A HN 0.781 nan 8.150 nan 0.000 0.463 346 A N -0.476 122.332 122.820 -0.021 0.000 1.903 346 A HA 0.173 4.493 4.320 -0.001 0.000 0.213 346 A C 1.999 179.539 177.584 -0.073 0.000 1.185 346 A CA 0.923 52.942 52.037 -0.029 0.000 0.628 346 A CB -0.461 18.542 19.000 0.004 0.000 0.830 346 A HN 0.429 nan 8.150 nan 0.000 0.446 347 L N 0.144 121.307 121.223 -0.100 0.000 2.137 347 L HA -0.162 4.178 4.340 -0.001 0.000 0.213 347 L C 1.450 178.133 176.870 -0.311 0.000 1.085 347 L CA 1.453 56.208 54.840 -0.143 0.000 0.760 347 L CB -0.399 41.582 42.059 -0.130 0.000 0.893 347 L HN 0.430 nan 8.230 nan 0.000 0.434 348 V N -4.274 115.327 119.914 -0.522 0.000 2.908 348 V HA 0.479 4.598 4.120 -0.001 0.000 0.369 348 V C 1.230 177.188 176.094 -0.226 0.000 1.259 348 V CA 0.263 62.151 62.300 -0.686 0.000 1.406 348 V CB -0.088 31.010 31.823 -1.207 0.000 1.475 348 V HN 0.159 nan 8.190 nan 0.000 0.587 349 A N 0.353 123.136 122.820 -0.061 0.000 1.984 349 A HA 0.091 4.411 4.320 -0.001 0.000 0.214 349 A C 1.728 179.354 177.584 0.070 0.000 1.173 349 A CA 1.385 53.425 52.037 0.005 0.000 0.673 349 A CB -0.174 18.832 19.000 0.010 0.000 0.830 349 A HN 0.582 nan 8.150 nan 0.000 0.453 350 D N -0.687 119.801 120.400 0.147 0.000 2.113 350 D HA -0.026 4.613 4.640 -0.001 0.000 0.206 350 D C 0.379 176.790 176.300 0.184 0.000 0.979 350 D CA 0.298 54.382 54.000 0.139 0.000 0.862 350 D CB -0.869 40.002 40.800 0.118 0.000 1.013 350 D HN 0.470 nan 8.370 nan 0.000 0.455 351 W N 1.587 122.838 121.300 -0.081 0.000 2.867 351 W HA -0.086 4.574 4.660 -0.001 0.000 0.322 351 W C 1.178 177.666 176.519 -0.052 0.000 1.071 351 W CA 0.288 57.584 57.345 -0.082 0.000 1.398 351 W CB -0.745 28.635 29.460 -0.134 0.000 1.197 351 W HN -0.071 nan 8.180 nan 0.000 0.576 352 T N -1.695 112.994 114.554 0.225 0.000 2.895 352 T HA 0.306 4.656 4.350 -0.001 0.000 0.283 352 T C 0.489 175.289 174.700 0.167 0.000 1.014 352 T CA -0.597 61.586 62.100 0.138 0.000 1.037 352 T CB 1.532 70.444 68.868 0.074 0.000 1.006 352 T HN 0.373 nan 8.240 nan 0.000 0.468 353 D N 0.755 121.231 120.400 0.125 0.000 2.292 353 D HA -0.162 4.477 4.640 -0.001 0.000 0.205 353 D C 1.876 178.282 176.300 0.177 0.000 0.994 353 D CA 1.544 55.626 54.000 0.136 0.000 0.897 353 D CB 0.246 41.099 40.800 0.087 0.000 0.907 353 D HN 0.813 nan 8.370 nan 0.000 0.467 354 E N -0.209 120.086 120.200 0.158 0.000 2.389 354 E HA -0.022 4.328 4.350 -0.001 0.000 0.199 354 E C 1.609 178.345 176.600 0.226 0.000 0.978 354 E CA 0.135 56.651 56.400 0.193 0.000 0.912 354 E CB -0.307 29.456 29.700 0.106 0.000 0.907 354 E HN 0.359 nan 8.360 nan 0.000 0.494 355 Q N 0.569 120.491 119.800 0.203 0.000 2.172 355 Q HA 0.091 4.431 4.340 -0.001 0.000 0.200 355 Q C 2.224 178.496 176.000 0.454 0.000 0.964 355 Q CA 0.672 56.594 55.803 0.199 0.000 0.855 355 Q CB 0.161 28.946 28.738 0.078 0.000 0.918 355 Q HN 0.296 nan 8.270 nan 0.000 0.444 356 I N -0.123 120.708 120.570 0.435 0.000 2.193 356 I HA -0.231 3.938 4.170 -0.001 0.000 0.240 356 I C 2.112 178.341 176.117 0.188 0.000 1.084 356 I CA 0.691 62.141 61.300 0.249 0.000 1.365 356 I CB -0.316 37.752 38.000 0.113 0.000 1.064 356 I HN 0.496 nan 8.210 nan 0.000 0.410 357 W N 2.065 123.414 121.300 0.082 0.000 2.480 357 W HA -0.158 4.502 4.660 -0.001 0.000 0.257 357 W C 1.816 178.377 176.519 0.070 0.000 1.235 357 W CA 1.261 58.648 57.345 0.071 0.000 1.218 357 W CB 0.074 29.579 29.460 0.076 0.000 1.131 357 W HN 0.139 nan 8.180 nan 0.000 0.606 358 A N 0.591 123.465 122.820 0.091 0.000 2.218 358 A HA 0.113 4.432 4.320 -0.001 0.000 0.209 358 A C 0.986 178.555 177.584 -0.025 0.000 1.168 358 A CA -0.067 51.979 52.037 0.015 0.000 0.804 358 A CB -0.660 18.392 19.000 0.087 0.000 0.834 358 A HN 0.148 nan 8.150 nan 0.000 0.482 359 L N 1.638 122.812 121.223 -0.081 0.000 2.559 359 L HA 0.036 4.376 4.340 -0.001 0.000 0.274 359 L C 0.441 177.398 176.870 0.145 0.000 1.205 359 L CA -0.114 54.626 54.840 -0.167 0.000 0.907 359 L CB -0.089 41.508 42.059 -0.771 0.000 1.153 359 L HN 0.328 nan 8.230 nan 0.000 0.490 360 N N 2.815 121.729 118.700 0.356 0.000 2.619 360 N HA 0.458 5.198 4.740 -0.001 0.000 0.294 360 N C -0.661 175.176 175.510 0.545 0.000 1.279 360 N CA -0.789 52.491 53.050 0.383 0.000 0.867 360 N CB 1.430 40.067 38.487 0.249 0.000 1.329 360 N HN 0.388 nan 8.380 nan 0.000 0.557 361 R N -0.722 119.940 120.500 0.271 0.000 2.459 361 R HA 0.333 4.673 4.340 -0.001 0.000 0.281 361 R C 1.326 177.622 176.300 -0.006 0.000 1.050 361 R CA -0.320 55.785 56.100 0.009 0.000 1.055 361 R CB 0.442 30.472 30.300 -0.449 0.000 1.045 361 R HN 0.725 nan 8.270 nan 0.000 0.495 362 G N 1.704 110.451 108.800 -0.089 0.000 2.503 362 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.221 362 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.221 362 G C 1.313 176.162 174.900 -0.085 0.000 1.131 362 G CA 0.919 45.988 45.100 -0.050 0.000 0.756 362 G HN 0.768 nan 8.290 nan 0.000 0.572 363 G N -1.101 107.575 108.800 -0.207 0.000 2.586 363 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.215 363 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.215 363 G C 1.401 176.110 174.900 -0.318 0.000 1.128 363 G CA 0.789 45.729 45.100 -0.265 0.000 0.774 363 G HN 0.545 nan 8.290 nan 0.000 0.543 364 H N -0.926 118.072 119.070 -0.119 0.000 2.740 364 H HA 0.107 4.663 4.556 -0.001 0.000 0.265 364 H C -0.172 175.130 175.328 -0.043 0.000 0.978 364 H CA -0.220 55.734 56.048 -0.156 0.000 1.198 364 H CB 0.811 30.404 29.762 -0.281 0.000 1.467 364 H HN 0.266 nan 8.280 nan 0.000 0.511 365 D N 1.653 122.114 120.400 0.102 0.000 2.280 365 D HA 0.082 4.721 4.640 -0.001 0.000 0.243 365 D C -1.794 174.534 176.300 0.048 0.000 1.129 365 D CA -2.124 51.924 54.000 0.080 0.000 0.848 365 D CB 2.353 43.214 40.800 0.103 0.000 1.107 365 D HN 0.004 nan 8.370 nan 0.000 0.471 366 P HA -0.143 nan 4.420 nan 0.000 0.215 366 P C 1.213 178.504 177.300 -0.016 0.000 1.157 366 P CA 1.450 64.517 63.100 -0.055 0.000 0.863 366 P CB 0.277 31.792 31.700 -0.308 0.000 0.787 367 K N 0.006 120.321 120.400 -0.143 0.000 2.034 367 K HA -0.190 4.129 4.320 -0.001 0.000 0.214 367 K C 1.855 178.583 176.600 0.214 0.000 1.051 367 K CA 1.409 57.733 56.287 0.062 0.000 0.931 367 K CB -0.690 31.825 32.500 0.025 0.000 0.715 367 K HN 0.124 nan 8.250 nan 0.000 0.446 368 K N 0.931 121.417 120.400 0.144 0.000 2.148 368 K HA -0.012 4.307 4.320 -0.001 0.000 0.204 368 K C 2.191 178.877 176.600 0.144 0.000 1.050 368 K CA 0.938 57.304 56.287 0.131 0.000 0.942 368 K CB -0.303 32.247 32.500 0.082 0.000 0.724 368 K HN 0.247 nan 8.250 nan 0.000 0.446 369 I N -0.240 120.440 120.570 0.184 0.000 2.353 369 I HA -0.254 3.915 4.170 -0.001 0.000 0.248 369 I C 2.325 178.660 176.117 0.362 0.000 1.119 369 I CA 0.802 62.244 61.300 0.237 0.000 1.417 369 I CB -0.251 37.875 38.000 0.211 0.000 1.078 369 I HN 0.015 nan 8.210 nan 0.000 0.421 370 Y N 1.834 122.317 120.300 0.304 0.000 2.114 370 Y HA -0.306 4.243 4.550 -0.001 0.000 0.284 370 Y C 2.553 178.624 175.900 0.284 0.000 1.143 370 Y CA 1.504 59.834 58.100 0.383 0.000 1.135 370 Y CB -0.471 38.248 38.460 0.432 0.000 0.980 370 Y HN 0.117 nan 8.280 nan 0.000 0.499 371 A N 0.723 123.698 122.820 0.257 0.000 1.892 371 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 371 A C 2.451 180.008 177.584 -0.045 0.000 1.188 371 A CA 2.478 54.575 52.037 0.101 0.000 0.631 371 A CB -1.664 17.417 19.000 0.135 0.000 0.822 371 A HN 0.666 nan 8.150 nan 0.000 0.447 372 A N -1.357 121.427 122.820 -0.059 0.000 1.883 372 A HA -0.047 4.272 4.320 -0.001 0.000 0.217 372 A C 1.947 179.308 177.584 -0.372 0.000 1.186 372 A CA 1.612 53.520 52.037 -0.215 0.000 0.624 372 A CB -0.783 18.061 19.000 -0.260 0.000 0.822 372 A HN 0.499 nan 8.150 nan 0.000 0.444 373 F N -0.508 119.197 119.950 -0.408 0.000 2.502 373 F HA 0.007 4.533 4.527 -0.001 0.000 0.298 373 F C 2.191 177.603 175.800 -0.647 0.000 1.111 373 F CA 1.507 59.076 58.000 -0.719 0.000 1.445 373 F CB 0.126 38.315 39.000 -1.351 0.000 1.081 373 F HN 0.150 nan 8.300 nan 0.000 0.558 374 K N 0.518 120.764 120.400 -0.257 0.000 2.166 374 K HA -0.028 4.292 4.320 -0.001 0.000 0.201 374 K C 2.024 178.585 176.600 -0.065 0.000 1.052 374 K CA 0.970 57.203 56.287 -0.090 0.000 0.969 374 K CB -0.112 32.250 32.500 -0.230 0.000 0.761 374 K HN -0.270 nan 8.250 nan 0.000 0.459 375 K N 0.518 120.854 120.400 -0.107 0.000 2.211 375 K HA 0.101 4.420 4.320 -0.001 0.000 0.203 375 K C 1.718 178.247 176.600 -0.117 0.000 1.050 375 K CA 1.131 57.364 56.287 -0.090 0.000 0.945 375 K CB -0.207 32.237 32.500 -0.093 0.000 0.732 375 K HN 0.205 nan 8.250 nan 0.000 0.451 376 A N 0.667 123.383 122.820 -0.174 0.000 1.929 376 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 376 A C 2.115 179.621 177.584 -0.130 0.000 1.176 376 A CA 1.403 53.323 52.037 -0.195 0.000 0.628 376 A CB -0.400 18.419 19.000 -0.302 0.000 0.816 376 A HN 0.470 nan 8.150 nan 0.000 0.444 377 Q N -0.285 119.477 119.800 -0.063 0.000 2.224 377 Q HA -0.174 4.166 4.340 -0.001 0.000 0.203 377 Q C 1.552 177.548 176.000 -0.007 0.000 0.970 377 Q CA 1.629 57.439 55.803 0.012 0.000 0.865 377 Q CB -0.073 28.755 28.738 0.151 0.000 0.922 377 Q HN 0.780 nan 8.270 nan 0.000 0.445 378 E N -0.070 120.117 120.200 -0.022 0.000 2.230 378 E HA 0.009 4.359 4.350 -0.001 0.000 0.192 378 E C -0.013 176.558 176.600 -0.048 0.000 0.987 378 E CA 0.462 56.848 56.400 -0.023 0.000 0.841 378 E CB 0.336 30.026 29.700 -0.017 0.000 0.783 378 E HN 0.181 nan 8.360 nan 0.000 0.481 379 T N 2.294 116.803 114.554 -0.074 0.000 2.916 379 T HA 0.111 4.460 4.350 -0.001 0.000 0.303 379 T C 0.093 174.732 174.700 -0.102 0.000 1.025 379 T CA 0.165 62.210 62.100 -0.092 0.000 1.142 379 T CB 0.631 69.427 68.868 -0.121 0.000 0.947 379 T HN -0.156 nan 8.240 nan 0.000 0.544 380 K N 1.174 121.517 120.400 -0.094 0.000 2.318 380 K HA 0.607 4.926 4.320 -0.001 0.000 0.249 380 K C 0.929 177.464 176.600 -0.109 0.000 0.942 380 K CA -0.552 55.677 56.287 -0.098 0.000 0.808 380 K CB 1.842 34.299 32.500 -0.071 0.000 1.189 380 K HN 0.804 nan 8.250 nan 0.000 0.428 381 G N 1.718 110.444 108.800 -0.122 0.000 2.141 381 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.242 381 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.242 381 G C -0.227 174.571 174.900 -0.170 0.000 0.982 381 G CA 0.837 45.862 45.100 -0.126 0.000 0.662 381 G HN 0.652 nan 8.290 nan 0.000 0.527 382 K N -2.036 118.224 120.400 -0.232 0.000 2.870 382 K HA 0.681 5.001 4.320 -0.001 0.000 0.290 382 K C -0.298 176.033 176.600 -0.449 0.000 1.070 382 K CA -0.421 55.663 56.287 -0.339 0.000 0.843 382 K CB 0.338 32.679 32.500 -0.265 0.000 1.475 382 K HN 1.387 nan 8.250 nan 0.000 0.359 383 A N 0.894 123.257 122.820 -0.761 0.000 2.257 383 A HA 0.743 5.062 4.320 -0.001 0.000 0.289 383 A C -0.544 176.661 177.584 -0.631 0.000 1.095 383 A CA -0.252 51.243 52.037 -0.903 0.000 0.836 383 A CB 0.852 18.855 19.000 -1.662 0.000 1.111 383 A HN 0.616 nan 8.150 nan 0.000 0.497 384 T N -0.209 114.111 114.554 -0.390 0.000 2.893 384 T HA 0.524 4.874 4.350 -0.001 0.000 0.293 384 T C -1.195 173.527 174.700 0.037 0.000 1.027 384 T CA -0.364 61.668 62.100 -0.113 0.000 0.988 384 T CB 1.494 70.243 68.868 -0.199 0.000 1.043 384 T HN 1.081 nan 8.240 nan 0.000 0.461 385 V N 4.179 124.101 119.914 0.015 0.000 2.531 385 V HA 0.632 4.751 4.120 -0.001 0.000 0.301 385 V C -1.145 174.777 176.094 -0.286 0.000 1.034 385 V CA -0.914 61.276 62.300 -0.183 0.000 0.865 385 V CB 0.917 32.362 31.823 -0.631 0.000 0.995 385 V HN 0.861 nan 8.190 nan 0.000 0.424 386 I N 7.639 128.005 120.570 -0.340 0.000 2.312 386 I HA 0.356 4.525 4.170 -0.001 0.000 0.290 386 I C -0.308 175.616 176.117 -0.322 0.000 1.008 386 I CA -0.330 60.746 61.300 -0.372 0.000 1.226 386 I CB 1.356 39.030 38.000 -0.544 0.000 1.371 386 I HN 0.437 nan 8.210 nan 0.000 0.468 387 L N 7.199 128.246 121.223 -0.293 0.000 2.302 387 L HA 0.495 4.835 4.340 -0.001 0.000 0.285 387 L C 0.491 177.207 176.870 -0.256 0.000 1.090 387 L CA -0.366 54.312 54.840 -0.270 0.000 0.866 387 L CB 0.539 42.437 42.059 -0.268 0.000 1.244 387 L HN 0.622 nan 8.230 nan 0.000 0.435 388 A N 2.954 125.645 122.820 -0.214 0.000 2.269 388 A HA 0.252 4.572 4.320 -0.001 0.000 0.302 388 A C -0.381 177.100 177.584 -0.172 0.000 1.266 388 A CA -0.371 51.553 52.037 -0.190 0.000 0.894 388 A CB -0.023 18.893 19.000 -0.139 0.000 1.147 388 A HN 0.771 nan 8.150 nan 0.000 0.537 389 H N 2.453 121.301 119.070 -0.371 0.000 2.690 389 H HA 0.427 4.982 4.556 -0.001 0.000 0.314 389 H C 0.477 175.566 175.328 -0.398 0.000 1.069 389 H CA 0.696 56.492 56.048 -0.419 0.000 1.436 389 H CB 0.645 30.022 29.762 -0.641 0.000 1.462 389 H HN 0.837 nan 8.280 nan 0.000 0.511 390 T N 2.405 116.782 114.554 -0.294 0.000 2.778 390 T HA 0.457 4.806 4.350 -0.001 0.000 0.293 390 T C -0.555 174.031 174.700 -0.190 0.000 1.144 390 T CA -0.992 60.827 62.100 -0.469 0.000 1.010 390 T CB 1.443 70.004 68.868 -0.511 0.000 1.325 390 T HN 0.417 nan 8.240 nan 0.000 0.515 391 I N 1.255 121.892 120.570 0.110 0.000 2.389 391 I HA 0.402 4.571 4.170 -0.001 0.000 0.288 391 I C 0.240 176.521 176.117 0.274 0.000 0.999 391 I CA -1.018 60.419 61.300 0.228 0.000 1.129 391 I CB 1.909 40.103 38.000 0.324 0.000 1.288 391 I HN 0.692 nan 8.210 nan 0.000 0.444 392 K N 4.070 124.587 120.400 0.195 0.000 2.355 392 K HA 0.204 4.523 4.320 -0.001 0.000 0.270 392 K C 1.089 177.827 176.600 0.230 0.000 1.003 392 K CA 0.793 57.199 56.287 0.199 0.000 0.957 392 K CB 0.637 33.230 32.500 0.154 0.000 0.939 392 K HN 0.881 nan 8.250 nan 0.000 0.482 393 G N 2.692 111.634 108.800 0.236 0.000 2.296 393 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.282 393 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.282 393 G C -0.131 174.934 174.900 0.275 0.000 1.014 393 G CA 0.695 45.932 45.100 0.230 0.000 0.812 393 G HN 0.764 nan 8.290 nan 0.000 0.508 394 Y N 0.154 120.557 120.300 0.171 0.000 3.083 394 Y HA 0.131 4.681 4.550 -0.001 0.000 0.350 394 Y C 1.733 177.750 175.900 0.195 0.000 1.266 394 Y CA 1.487 59.673 58.100 0.143 0.000 1.594 394 Y CB 0.014 38.549 38.460 0.125 0.000 1.179 394 Y HN 1.424 nan 8.280 nan 0.000 0.602 395 G N 5.343 113.969 108.800 -0.289 0.000 2.219 395 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.271 395 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.271 395 G C 0.919 175.907 174.900 0.147 0.000 0.991 395 G CA 0.748 45.701 45.100 -0.245 0.000 0.685 395 G HN 0.726 nan 8.290 nan 0.000 0.531 396 M N 0.654 120.360 119.600 0.176 0.000 2.722 396 M HA 0.197 4.676 4.480 -0.001 0.000 0.238 396 M C 2.257 178.561 176.300 0.007 0.000 1.098 396 M CA 0.891 56.307 55.300 0.193 0.000 1.062 396 M CB -0.623 32.070 32.600 0.155 0.000 1.573 396 M HN 0.774 nan 8.290 nan 0.000 0.531 397 G N 2.229 110.975 108.800 -0.090 0.000 2.698 397 G HA2 -0.456 3.503 3.960 -0.001 0.000 0.337 397 G HA3 -0.456 3.503 3.960 -0.001 0.000 0.337 397 G C 0.519 175.217 174.900 -0.336 0.000 1.286 397 G CA 0.929 45.701 45.100 -0.546 0.000 1.000 397 G HN 0.561 nan 8.290 nan 0.000 0.547 398 D N 1.294 121.444 120.400 -0.417 0.000 2.349 398 D HA -0.159 4.481 4.640 -0.001 0.000 0.215 398 D C 2.612 178.861 176.300 -0.086 0.000 1.075 398 D CA 3.148 57.040 54.000 -0.180 0.000 0.934 398 D CB -1.369 39.348 40.800 -0.138 0.000 1.234 398 D HN 1.534 nan 8.370 nan 0.000 0.492 399 A N 1.545 124.333 122.820 -0.054 0.000 2.016 399 A HA 0.054 4.373 4.320 -0.001 0.000 0.225 399 A C 1.483 179.075 177.584 0.014 0.000 1.230 399 A CA 3.642 55.675 52.037 -0.006 0.000 0.678 399 A CB -0.772 18.236 19.000 0.015 0.000 0.826 399 A HN 1.289 nan 8.150 nan 0.000 0.484 415 D N 0.853 121.282 120.400 0.050 0.000 2.144 415 D HA 0.007 4.647 4.640 -0.001 0.000 0.200 415 D C 1.981 178.334 176.300 0.089 0.000 0.978 415 D CA 1.993 56.032 54.000 0.063 0.000 0.833 415 D CB 0.101 40.928 40.800 0.043 0.000 0.961 415 D HN 0.551 nan 8.370 nan 0.000 0.470 416 G N 0.629 109.470 108.800 0.068 0.000 2.480 416 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.216 416 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.216 416 G C 1.799 176.777 174.900 0.130 0.000 1.200 416 G CA 1.147 46.294 45.100 0.079 0.000 0.782 416 G HN 0.244 nan 8.290 nan 0.000 0.554 417 V N 0.858 120.830 119.914 0.096 0.000 2.332 417 V HA -0.189 3.930 4.120 -0.001 0.000 0.248 417 V C 2.888 179.130 176.094 0.245 0.000 1.055 417 V CA 1.917 64.288 62.300 0.118 0.000 1.038 417 V CB -0.523 31.337 31.823 0.062 0.000 0.651 417 V HN 0.287 nan 8.190 nan 0.000 0.450 418 R N -0.916 119.701 120.500 0.195 0.000 2.159 418 R HA -0.179 4.161 4.340 -0.001 0.000 0.237 418 R C 2.329 178.728 176.300 0.165 0.000 1.131 418 R CA 1.477 57.682 56.100 0.174 0.000 0.982 418 R CB -0.593 29.778 30.300 0.118 0.000 0.868 418 R HN 0.709 nan 8.270 nan 0.000 0.453 419 H N 0.870 120.003 119.070 0.105 0.000 2.326 419 H HA -0.059 4.496 4.556 -0.001 0.000 0.301 419 H C 2.049 177.442 175.328 0.109 0.000 1.081 419 H CA 1.466 57.560 56.048 0.076 0.000 1.334 419 H CB -0.094 29.699 29.762 0.052 0.000 1.385 419 H HN 0.175 nan 8.280 nan 0.000 0.504 420 I N 0.567 121.235 120.570 0.164 0.000 2.179 420 I HA -0.261 3.908 4.170 -0.001 0.000 0.242 420 I C 2.864 179.154 176.117 0.288 0.000 1.088 420 I CA 1.022 62.470 61.300 0.246 0.000 1.357 420 I CB -0.359 37.892 38.000 0.419 0.000 1.051 420 I HN 0.171 nan 8.210 nan 0.000 0.409 421 R N 1.428 122.156 120.500 0.380 0.000 2.136 421 R HA -0.264 4.075 4.340 -0.001 0.000 0.242 421 R C 1.788 178.116 176.300 0.046 0.000 1.131 421 R CA 2.731 58.952 56.100 0.201 0.000 0.937 421 R CB -1.083 29.276 30.300 0.098 0.000 0.863 421 R HN 0.483 nan 8.270 nan 0.000 0.435 422 D N -0.249 120.141 120.400 -0.017 0.000 2.097 422 D HA -0.166 4.473 4.640 -0.001 0.000 0.195 422 D C 1.960 178.165 176.300 -0.158 0.000 0.989 422 D CA 1.127 55.077 54.000 -0.085 0.000 0.827 422 D CB -0.488 40.255 40.800 -0.096 0.000 0.966 422 D HN 0.120 nan 8.370 nan 0.000 0.456 423 R N -0.007 120.310 120.500 -0.306 0.000 2.200 423 R HA -0.084 4.256 4.340 -0.001 0.000 0.234 423 R C 0.681 176.622 176.300 -0.598 0.000 1.127 423 R CA 0.969 56.754 56.100 -0.525 0.000 0.989 423 R CB -0.509 29.321 30.300 -0.784 0.000 0.869 423 R HN 0.172 nan 8.270 nan 0.000 0.459 424 F N -0.528 119.396 119.950 -0.043 0.000 2.775 424 F HA 0.304 4.830 4.527 -0.001 0.000 0.313 424 F C -0.212 175.592 175.800 0.007 0.000 1.121 424 F CA -0.722 57.285 58.000 0.011 0.000 1.206 424 F CB -0.087 38.960 39.000 0.078 0.000 1.052 424 F HN -0.035 nan 8.300 nan 0.000 0.524 425 N N -0.050 118.705 118.700 0.091 0.000 2.714 425 N HA -0.179 4.561 4.740 -0.001 0.000 0.252 425 N C -0.633 174.895 175.510 0.029 0.000 1.014 425 N CA 0.334 53.407 53.050 0.038 0.000 0.735 425 N CB -1.625 36.887 38.487 0.041 0.000 0.924 425 N HN 0.009 nan 8.380 nan 0.000 0.540 426 V N 1.397 121.305 119.914 -0.010 0.000 2.485 426 V HA 0.114 4.233 4.120 -0.001 0.000 0.287 426 V C -1.218 174.721 176.094 -0.259 0.000 1.022 426 V CA -0.924 61.281 62.300 -0.159 0.000 1.067 426 V CB 0.761 32.352 31.823 -0.387 0.000 0.967 426 V HN 0.206 nan 8.190 nan 0.000 0.479 427 P HA 0.090 nan 4.420 nan 0.000 0.238 427 P C -0.629 176.524 177.300 -0.245 0.000 1.729 427 P CA 0.364 63.377 63.100 -0.145 0.000 1.055 427 P CB -0.015 31.670 31.700 -0.026 0.000 1.980 428 V N 1.481 121.194 119.914 -0.335 0.000 2.577 428 V HA 0.236 4.355 4.120 -0.001 0.000 0.303 428 V C 0.586 176.558 176.094 -0.202 0.000 1.042 428 V CA -0.637 61.460 62.300 -0.338 0.000 0.872 428 V CB 2.133 33.568 31.823 -0.647 0.000 0.998 428 V HN 0.358 nan 8.190 nan 0.000 0.423 429 S N 1.712 117.344 115.700 -0.113 0.000 2.617 429 S HA 0.271 4.741 4.470 -0.001 0.000 0.269 429 S C 0.600 175.178 174.600 -0.037 0.000 1.292 429 S CA -0.566 57.596 58.200 -0.064 0.000 1.010 429 S CB 1.189 64.365 63.200 -0.040 0.000 0.944 429 S HN 0.666 nan 8.310 nan 0.000 0.536 430 D N 1.492 121.880 120.400 -0.019 0.000 2.271 430 D HA -0.049 4.590 4.640 -0.001 0.000 0.207 430 D C 1.921 178.226 176.300 0.008 0.000 0.983 430 D CA 1.576 55.577 54.000 0.002 0.000 0.878 430 D CB -0.558 40.245 40.800 0.004 0.000 0.920 430 D HN 0.715 nan 8.370 nan 0.000 0.479 431 A N 0.316 123.136 122.820 -0.000 0.000 2.016 431 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 431 A C 1.568 179.157 177.584 0.009 0.000 1.162 431 A CA 1.104 53.144 52.037 0.004 0.000 0.662 431 A CB 0.130 19.129 19.000 -0.001 0.000 0.812 431 A HN 0.001 nan 8.150 nan 0.000 0.450 432 D N -1.022 119.383 120.400 0.008 0.000 2.388 432 D HA 0.029 4.668 4.640 -0.001 0.000 0.208 432 D C 1.636 177.970 176.300 0.057 0.000 1.035 432 D CA 0.258 54.270 54.000 0.021 0.000 0.875 432 D CB -0.153 40.651 40.800 0.006 0.000 0.984 432 D HN 0.350 nan 8.370 nan 0.000 0.508 433 I N 2.206 122.818 120.570 0.071 0.000 2.143 433 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 433 I C 1.449 177.644 176.117 0.131 0.000 1.068 433 I CA 1.841 63.233 61.300 0.154 0.000 1.326 433 I CB -0.094 37.984 38.000 0.131 0.000 1.028 433 I HN -0.068 nan 8.210 nan 0.000 0.412 434 E N -0.211 120.032 120.200 0.071 0.000 2.516 434 E HA -0.161 4.188 4.350 -0.001 0.000 0.199 434 E C 1.601 178.213 176.600 0.020 0.000 1.069 434 E CA 0.482 56.907 56.400 0.041 0.000 0.876 434 E CB -0.081 29.636 29.700 0.028 0.000 0.843 434 E HN 0.546 nan 8.360 nan 0.000 0.530 435 K N 0.283 120.699 120.400 0.027 0.000 2.374 435 K HA 0.171 4.490 4.320 -0.001 0.000 0.196 435 K C -0.008 176.570 176.600 -0.036 0.000 1.023 435 K CA -0.055 56.230 56.287 -0.003 0.000 1.103 435 K CB 0.350 32.853 32.500 0.005 0.000 0.848 435 K HN -0.007 nan 8.250 nan 0.000 0.528 436 L N 1.783 123.004 121.223 -0.004 0.000 3.795 436 L HA -0.163 4.177 4.340 -0.001 0.000 0.489 436 L C -2.221 174.565 176.870 -0.141 0.000 1.259 436 L CA -0.596 54.197 54.840 -0.078 0.000 0.765 436 L CB -1.530 40.413 42.059 -0.193 0.000 1.519 436 L HN 0.129 nan 8.230 nan 0.000 0.842 437 P HA 0.119 nan 4.420 nan 0.000 0.275 437 P C -0.598 176.802 177.300 0.167 0.000 1.228 437 P CA -0.009 63.122 63.100 0.053 0.000 0.786 437 P CB 0.683 32.455 31.700 0.120 0.000 0.927 438 Y N 1.058 121.451 120.300 0.156 0.000 2.320 438 Y HA 0.367 4.916 4.550 -0.001 0.000 0.324 438 Y C 1.095 177.106 175.900 0.185 0.000 1.190 438 Y CA -0.444 57.737 58.100 0.134 0.000 1.215 438 Y CB 0.660 39.058 38.460 -0.103 0.000 1.221 438 Y HN 0.178 nan 8.280 nan 0.000 0.486 439 I N 2.093 122.870 120.570 0.346 0.000 2.428 439 I HA 0.433 4.603 4.170 -0.001 0.000 0.296 439 I C -0.330 175.797 176.117 0.016 0.000 0.985 439 I CA -0.282 61.060 61.300 0.071 0.000 1.260 439 I CB 1.526 39.455 38.000 -0.119 0.000 1.389 439 I HN 0.577 nan 8.210 nan 0.000 0.484 440 T N 4.355 118.823 114.554 -0.143 0.000 2.903 440 T HA 0.516 4.865 4.350 -0.001 0.000 0.299 440 T C -0.861 173.680 174.700 -0.266 0.000 1.093 440 T CA -0.485 61.493 62.100 -0.203 0.000 1.002 440 T CB 1.436 70.249 68.868 -0.093 0.000 1.127 440 T HN 0.042 nan 8.240 nan 0.000 0.488 441 F N 3.762 123.753 119.950 0.068 0.000 2.347 441 F HA 0.389 4.915 4.527 -0.001 0.000 0.366 441 F C -1.867 173.919 175.800 -0.023 0.000 1.107 441 F CA -2.807 55.242 58.000 0.081 0.000 1.058 441 F CB 0.855 39.960 39.000 0.175 0.000 1.236 441 F HN 0.224 nan 8.300 nan 0.000 0.456 442 P HA -0.067 nan 4.420 nan 0.000 0.268 442 P C -0.097 176.987 177.300 -0.359 0.000 1.208 442 P CA -0.124 62.900 63.100 -0.126 0.000 0.777 442 P CB 0.925 32.597 31.700 -0.046 0.000 0.875 443 E N 0.511 120.390 120.200 -0.535 0.000 2.413 443 E HA 0.203 4.552 4.350 -0.001 0.000 0.263 443 E C 1.161 177.655 176.600 -0.177 0.000 1.015 443 E CA 0.761 56.822 56.400 -0.565 0.000 0.916 443 E CB -0.390 29.128 29.700 -0.303 0.000 0.947 443 E HN 0.771 nan 8.360 nan 0.000 0.440 444 G N 2.970 111.754 108.800 -0.025 0.000 2.258 444 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.233 444 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.233 444 G C 0.235 175.160 174.900 0.042 0.000 1.006 444 G CA 0.236 45.347 45.100 0.017 0.000 0.620 444 G HN 0.870 nan 8.290 nan 0.000 0.511 445 S N 0.296 116.027 115.700 0.051 0.000 2.593 445 S HA 0.509 4.978 4.470 -0.001 0.000 0.269 445 S C 1.096 175.732 174.600 0.059 0.000 1.334 445 S CA 0.757 58.990 58.200 0.055 0.000 1.015 445 S CB 2.064 65.309 63.200 0.076 0.000 0.912 445 S HN 0.576 nan 8.310 nan 0.000 0.541 446 E N 0.873 121.075 120.200 0.003 0.000 2.077 446 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 446 E C 1.479 178.054 176.600 -0.041 0.000 0.989 446 E CA 1.552 57.946 56.400 -0.009 0.000 0.800 446 E CB -0.175 29.500 29.700 -0.042 0.000 0.746 446 E HN 0.795 nan 8.360 nan 0.000 0.452 447 E N -0.105 119.978 120.200 -0.194 0.000 2.031 447 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 447 E C 1.981 178.504 176.600 -0.128 0.000 0.994 447 E CA 1.442 57.597 56.400 -0.408 0.000 0.800 447 E CB -0.430 28.455 29.700 -1.359 0.000 0.752 447 E HN 0.360 nan 8.360 nan 0.000 0.447 448 H N -0.116 118.914 119.070 -0.066 0.000 2.421 448 H HA -0.071 4.484 4.556 -0.001 0.000 0.298 448 H C 1.474 176.932 175.328 0.218 0.000 1.087 448 H CA 1.731 57.882 56.048 0.171 0.000 1.330 448 H CB 0.293 30.175 29.762 0.199 0.000 1.388 448 H HN 0.151 nan 8.280 nan 0.000 0.526 449 T N -0.214 114.463 114.554 0.205 0.000 2.732 449 T HA -0.163 4.186 4.350 -0.001 0.000 0.261 449 T C 1.707 176.478 174.700 0.118 0.000 1.040 449 T CA 1.284 63.476 62.100 0.152 0.000 1.145 449 T CB -0.613 68.333 68.868 0.131 0.000 0.866 449 T HN 0.408 nan 8.240 nan 0.000 0.427 450 Y N 1.351 121.646 120.300 -0.008 0.000 2.373 450 Y HA 0.052 4.602 4.550 -0.001 0.000 0.293 450 Y C 2.018 177.890 175.900 -0.047 0.000 1.129 450 Y CA 0.492 58.576 58.100 -0.028 0.000 1.226 450 Y CB -0.218 38.218 38.460 -0.040 0.000 1.000 450 Y HN 0.113 nan 8.280 nan 0.000 0.549 451 L N -0.798 120.472 121.223 0.078 0.000 2.027 451 L HA -0.185 4.155 4.340 -0.001 0.000 0.206 451 L C 2.217 178.982 176.870 -0.174 0.000 1.074 451 L CA 1.983 56.795 54.840 -0.046 0.000 0.745 451 L CB -0.901 41.103 42.059 -0.091 0.000 0.898 451 L HN 0.214 nan 8.230 nan 0.000 0.433 452 H N -0.567 118.467 119.070 -0.060 0.000 2.470 452 H HA 0.146 4.701 4.556 -0.001 0.000 0.289 452 H C 2.128 177.413 175.328 -0.073 0.000 1.033 452 H CA 1.018 57.060 56.048 -0.010 0.000 1.331 452 H CB 0.004 29.715 29.762 -0.086 0.000 1.414 452 H HN 0.542 nan 8.280 nan 0.000 0.545 453 A N 1.117 123.915 122.820 -0.037 0.000 1.898 453 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 453 A C 2.319 179.771 177.584 -0.221 0.000 1.181 453 A CA 1.065 53.026 52.037 -0.126 0.000 0.620 453 A CB -0.138 18.760 19.000 -0.169 0.000 0.819 453 A HN 0.235 nan 8.150 nan 0.000 0.442 454 Q N -0.451 119.153 119.800 -0.328 0.000 2.170 454 Q HA -0.100 4.239 4.340 -0.001 0.000 0.203 454 Q C 2.122 177.995 176.000 -0.212 0.000 0.976 454 Q CA 1.049 56.652 55.803 -0.333 0.000 0.858 454 Q CB -0.382 28.108 28.738 -0.413 0.000 0.907 454 Q HN 0.470 nan 8.270 nan 0.000 0.433 455 R N 0.376 120.767 120.500 -0.182 0.000 2.090 455 R HA -0.005 4.334 4.340 -0.001 0.000 0.228 455 R C 2.052 178.170 176.300 -0.303 0.000 1.110 455 R CA 0.754 56.707 56.100 -0.245 0.000 0.973 455 R CB -0.251 29.799 30.300 -0.418 0.000 0.869 455 R HN 0.317 nan 8.270 nan 0.000 0.440 456 Q N 0.774 120.430 119.800 -0.241 0.000 2.167 456 Q HA -0.045 4.295 4.340 -0.001 0.000 0.202 456 Q C 1.665 177.524 176.000 -0.236 0.000 0.970 456 Q CA 1.104 56.782 55.803 -0.208 0.000 0.855 456 Q CB -0.074 28.597 28.738 -0.112 0.000 0.911 456 Q HN 0.304 nan 8.270 nan 0.000 0.438 457 K N 0.132 120.401 120.400 -0.217 0.000 2.515 457 K HA -0.002 4.317 4.320 -0.001 0.000 0.196 457 K C 1.118 177.550 176.600 -0.279 0.000 1.038 457 K CA 0.499 56.653 56.287 -0.222 0.000 0.967 457 K CB 0.208 32.598 32.500 -0.183 0.000 0.780 457 K HN 0.101 nan 8.250 nan 0.000 0.483 458 L N -0.547 120.511 121.223 -0.275 0.000 3.267 458 L HA 0.213 4.553 4.340 -0.001 0.000 0.289 458 L C -0.730 176.086 176.870 -0.090 0.000 1.260 458 L CA -0.222 54.516 54.840 -0.170 0.000 1.034 458 L CB -0.061 41.996 42.059 -0.003 0.000 1.413 458 L HN 0.291 nan 8.230 nan 0.000 0.594 459 H N -1.772 117.256 119.070 -0.071 0.000 3.132 459 H HA -0.073 4.482 4.556 -0.001 0.000 0.237 459 H C 0.780 176.038 175.328 -0.117 0.000 1.189 459 H CA 0.640 56.649 56.048 -0.065 0.000 1.129 459 H CB -1.549 28.202 29.762 -0.017 0.000 1.225 459 H HN 0.580 nan 8.280 nan 0.000 0.323 460 G N -1.772 106.901 108.800 -0.212 0.000 2.306 460 G HA2 0.092 4.051 3.960 -0.001 0.000 0.262 460 G HA3 0.092 4.051 3.960 -0.001 0.000 0.262 460 G C -1.314 173.202 174.900 -0.641 0.000 1.263 460 G CA -0.572 44.265 45.100 -0.439 0.000 1.088 460 G HN 0.260 nan 8.290 nan 0.000 0.489 461 Y N 0.084 120.425 120.300 0.069 0.000 2.487 461 Y HA 0.819 5.369 4.550 -0.001 0.000 0.337 461 Y C 0.819 176.744 175.900 0.041 0.000 1.076 461 Y CA -0.588 57.548 58.100 0.060 0.000 1.115 461 Y CB 1.869 40.332 38.460 0.005 0.000 1.235 461 Y HN 0.852 nan 8.280 nan 0.000 0.468 462 L N 0.624 121.971 121.223 0.206 0.000 2.465 462 L HA 0.818 5.157 4.340 -0.001 0.000 0.257 462 L C -3.106 173.789 176.870 0.042 0.000 0.988 462 L CA -2.365 52.526 54.840 0.085 0.000 0.827 462 L CB 2.649 44.784 42.059 0.126 0.000 1.397 462 L HN 0.294 nan 8.230 nan 0.000 0.410 463 P HA 0.244 nan 4.420 nan 0.000 0.272 463 P C -0.838 176.071 177.300 -0.652 0.000 1.230 463 P CA -0.046 62.780 63.100 -0.456 0.000 0.788 463 P CB 1.692 32.983 31.700 -0.682 0.000 0.949 464 S N 0.747 116.212 115.700 -0.391 0.000 2.543 464 S HA 0.546 5.016 4.470 -0.001 0.000 0.274 464 S C -1.431 173.064 174.600 -0.174 0.000 1.149 464 S CA -0.878 57.165 58.200 -0.262 0.000 0.866 464 S CB 1.555 64.688 63.200 -0.111 0.000 1.111 464 S HN 0.708 nan 8.310 nan 0.000 0.457 465 R N 2.234 122.667 120.500 -0.112 0.000 2.621 465 R HA 0.459 4.798 4.340 -0.001 0.000 0.284 465 R C -1.442 174.836 176.300 -0.037 0.000 0.998 465 R CA -0.536 55.510 56.100 -0.090 0.000 0.895 465 R CB 1.810 32.058 30.300 -0.086 0.000 1.195 465 R HN 0.755 nan 8.270 nan 0.000 0.450 466 Q N 6.130 125.909 119.800 -0.035 0.000 2.421 466 Q HA 0.265 4.605 4.340 -0.001 0.000 0.242 466 Q C -1.729 174.288 176.000 0.027 0.000 1.024 466 Q CA -2.153 53.654 55.803 0.008 0.000 0.891 466 Q CB 1.421 30.173 28.738 0.024 0.000 1.222 466 Q HN 0.475 nan 8.270 nan 0.000 0.483 467 P HA -0.119 nan 4.420 nan 0.000 0.220 467 P C -0.485 176.941 177.300 0.210 0.000 1.148 467 P CA 0.995 64.157 63.100 0.104 0.000 0.803 467 P CB 0.457 32.199 31.700 0.070 0.000 0.782 468 N N -0.253 118.542 118.700 0.159 0.000 2.229 468 N HA 0.268 5.007 4.740 -0.001 0.000 0.298 468 N C -0.295 175.335 175.510 0.199 0.000 1.114 468 N CA -0.620 52.518 53.050 0.147 0.000 0.776 468 N CB 1.625 40.072 38.487 -0.066 0.000 1.501 468 N HN -0.057 nan 8.380 nan 0.000 0.474 469 F N -0.877 119.213 119.950 0.232 0.000 2.380 469 F HA 0.406 4.933 4.527 -0.001 0.000 0.325 469 F C 1.794 177.661 175.800 0.112 0.000 1.136 469 F CA -0.613 57.507 58.000 0.199 0.000 1.171 469 F CB 0.173 39.325 39.000 0.253 0.000 1.230 469 F HN 0.479 nan 8.300 nan 0.000 0.554 470 T N -2.120 112.573 114.554 0.231 0.000 3.031 470 T HA 0.080 4.429 4.350 -0.001 0.000 0.254 470 T C 0.456 175.234 174.700 0.131 0.000 1.060 470 T CA 0.345 62.500 62.100 0.091 0.000 1.135 470 T CB -0.668 68.255 68.868 0.093 0.000 0.896 470 T HN 0.819 nan 8.240 nan 0.000 0.472 471 E N 1.239 121.626 120.200 0.311 0.000 2.391 471 E HA 0.268 4.617 4.350 -0.001 0.000 0.255 471 E C -0.331 176.459 176.600 0.316 0.000 1.187 471 E CA -0.906 55.653 56.400 0.265 0.000 0.941 471 E CB 0.671 30.513 29.700 0.236 0.000 1.010 471 E HN 0.254 nan 8.360 nan 0.000 0.458 472 K N 1.956 122.484 120.400 0.213 0.000 2.307 472 K HA 0.288 4.608 4.320 -0.001 0.000 0.263 472 K C -1.001 175.714 176.600 0.192 0.000 0.973 472 K CA -0.600 55.807 56.287 0.200 0.000 0.846 472 K CB 0.816 33.380 32.500 0.106 0.000 1.100 472 K HN 0.521 nan 8.250 nan 0.000 0.438 473 L N 3.079 124.441 121.223 0.233 0.000 2.357 473 L HA 0.284 4.623 4.340 -0.001 0.000 0.273 473 L C 0.288 177.228 176.870 0.117 0.000 1.080 473 L CA -0.627 54.305 54.840 0.154 0.000 0.803 473 L CB 1.154 43.308 42.059 0.158 0.000 1.174 473 L HN 0.507 nan 8.230 nan 0.000 0.443 474 E N 4.219 124.467 120.200 0.081 0.000 2.079 474 E HA 0.317 4.666 4.350 -0.001 0.000 0.252 474 E C -0.574 176.066 176.600 0.066 0.000 0.992 474 E CA -0.295 56.145 56.400 0.067 0.000 0.829 474 E CB 0.804 30.532 29.700 0.046 0.000 1.158 474 E HN 0.423 nan 8.360 nan 0.000 0.435 475 L N 4.199 125.475 121.223 0.088 0.000 2.426 475 L HA 0.186 4.525 4.340 -0.001 0.000 0.271 475 L C -1.609 175.324 176.870 0.105 0.000 1.169 475 L CA -1.539 53.363 54.840 0.102 0.000 0.836 475 L CB -0.086 42.044 42.059 0.118 0.000 1.112 475 L HN 0.115 nan 8.230 nan 0.000 0.465 476 P HA 0.056 nan 4.420 nan 0.000 0.268 476 P C -0.510 176.929 177.300 0.231 0.000 1.205 476 P CA -0.359 62.776 63.100 0.059 0.000 0.771 476 P CB 1.026 32.668 31.700 -0.097 0.000 0.858 477 S N 2.196 117.992 115.700 0.161 0.000 2.661 477 S HA 0.123 4.592 4.470 -0.001 0.000 0.265 477 S C 1.252 175.956 174.600 0.174 0.000 1.225 477 S CA -0.655 57.689 58.200 0.239 0.000 0.986 477 S CB 0.075 63.338 63.200 0.105 0.000 1.008 477 S HN 0.342 nan 8.310 nan 0.000 0.565 478 L N 1.197 122.306 121.223 -0.190 0.000 2.046 478 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 478 L C 2.884 179.772 176.870 0.030 0.000 1.077 478 L CA 2.268 56.921 54.840 -0.311 0.000 0.747 478 L CB -1.349 40.405 42.059 -0.509 0.000 0.896 478 L HN 0.976 nan 8.230 nan 0.000 0.432 479 Q N -1.327 118.463 119.800 -0.017 0.000 2.234 479 Q HA -0.265 4.075 4.340 -0.001 0.000 0.206 479 Q C 1.285 177.268 176.000 -0.029 0.000 0.980 479 Q CA 1.935 57.731 55.803 -0.013 0.000 0.869 479 Q CB -0.589 28.136 28.738 -0.022 0.000 0.912 479 Q HN 0.510 nan 8.270 nan 0.000 0.436 480 D N 0.040 120.392 120.400 -0.080 0.000 2.309 480 D HA -0.097 4.542 4.640 -0.001 0.000 0.212 480 D C 0.356 176.456 176.300 -0.333 0.000 0.968 480 D CA 0.805 54.664 54.000 -0.234 0.000 0.882 480 D CB -0.068 40.517 40.800 -0.357 0.000 0.918 480 D HN 0.346 nan 8.370 nan 0.000 0.503 481 F N -0.028 119.892 119.950 -0.049 0.000 2.668 481 F HA 0.279 4.806 4.527 -0.001 0.000 0.297 481 F C 2.129 177.902 175.800 -0.044 0.000 1.124 481 F CA -0.523 57.449 58.000 -0.046 0.000 1.353 481 F CB 0.156 39.130 39.000 -0.044 0.000 0.992 481 F HN -0.149 nan 8.300 nan 0.000 0.524 482 G N 0.708 109.546 108.800 0.064 0.000 2.513 482 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.219 482 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.219 482 G C 1.935 176.853 174.900 0.030 0.000 1.160 482 G CA 1.048 46.166 45.100 0.030 0.000 0.767 482 G HN 0.442 nan 8.290 nan 0.000 0.571 483 A N 0.003 122.838 122.820 0.025 0.000 2.067 483 A HA 0.238 4.557 4.320 -0.001 0.000 0.219 483 A C 2.295 179.904 177.584 0.043 0.000 1.158 483 A CA 0.933 52.983 52.037 0.021 0.000 0.661 483 A CB -0.221 18.782 19.000 0.006 0.000 0.801 483 A HN 0.381 nan 8.150 nan 0.000 0.452 484 L N -0.738 120.532 121.223 0.077 0.000 2.554 484 L HA 0.089 4.428 4.340 -0.001 0.000 0.226 484 L C 1.687 178.624 176.870 0.112 0.000 1.137 484 L CA 0.173 55.068 54.840 0.092 0.000 0.863 484 L CB -0.078 42.050 42.059 0.115 0.000 0.985 484 L HN 0.356 nan 8.230 nan 0.000 0.451 485 L N -1.133 120.139 121.223 0.082 0.000 2.529 485 L HA 0.125 4.465 4.340 -0.001 0.000 0.223 485 L C 0.753 177.624 176.870 0.002 0.000 1.113 485 L CA 0.155 55.026 54.840 0.051 0.000 0.861 485 L CB 0.051 42.110 42.059 0.001 0.000 1.012 485 L HN 0.236 nan 8.230 nan 0.000 0.461 486 E N 0.673 120.882 120.200 0.015 0.000 2.280 486 E HA 0.146 4.496 4.350 -0.001 0.000 0.261 486 E C -0.303 176.303 176.600 0.010 0.000 1.088 486 E CA -0.587 55.810 56.400 -0.005 0.000 0.915 486 E CB 1.160 30.857 29.700 -0.004 0.000 1.141 486 E HN 0.060 nan 8.360 nan 0.000 0.433 487 E N 1.217 121.415 120.200 -0.004 0.000 2.413 487 E HA -0.082 4.267 4.350 -0.001 0.000 0.263 487 E C -0.665 175.924 176.600 -0.019 0.000 1.015 487 E CA -0.234 56.157 56.400 -0.014 0.000 0.916 487 E CB 0.572 30.284 29.700 0.020 0.000 0.947 487 E HN 0.168 nan 8.360 nan 0.000 0.440 488 Q N 2.526 122.287 119.800 -0.065 0.000 2.256 488 Q HA 0.078 4.417 4.340 -0.001 0.000 0.254 488 Q C 0.292 176.285 176.000 -0.012 0.000 0.916 488 Q CA -0.069 55.711 55.803 -0.039 0.000 0.932 488 Q CB 1.793 30.500 28.738 -0.051 0.000 1.207 488 Q HN 0.650 nan 8.270 nan 0.000 0.426 489 S N 2.540 118.249 115.700 0.015 0.000 2.371 489 S HA -0.061 4.408 4.470 -0.001 0.000 0.224 489 S C 0.668 175.296 174.600 0.047 0.000 1.029 489 S CA 1.059 59.283 58.200 0.039 0.000 0.978 489 S CB 0.289 63.506 63.200 0.028 0.000 0.833 489 S HN 0.464 nan 8.310 nan 0.000 0.466 490 K N 1.479 121.896 120.400 0.028 0.000 2.118 490 K HA 0.209 4.528 4.320 -0.001 0.000 0.267 490 K C -0.664 175.954 176.600 0.029 0.000 0.991 490 K CA -0.340 55.965 56.287 0.030 0.000 0.916 490 K CB 0.731 33.240 32.500 0.015 0.000 1.041 490 K HN 0.222 nan 8.250 nan 0.000 0.455 491 E N 3.428 123.657 120.200 0.048 0.000 2.289 491 E HA 0.199 4.549 4.350 -0.001 0.000 0.278 491 E C -0.152 176.446 176.600 -0.003 0.000 1.032 491 E CA -0.205 56.226 56.400 0.052 0.000 0.854 491 E CB 0.732 30.492 29.700 0.101 0.000 1.046 491 E HN 0.456 nan 8.360 nan 0.000 0.409 492 I N -1.238 119.300 120.570 -0.053 0.000 3.516 492 I HA 0.603 4.772 4.170 -0.001 0.000 0.307 492 I C -0.521 175.460 176.117 -0.226 0.000 1.157 492 I CA -0.969 60.275 61.300 -0.094 0.000 0.983 492 I CB 2.065 40.030 38.000 -0.057 0.000 1.351 492 I HN 0.401 nan 8.210 nan 0.000 0.484 493 S N -1.057 114.527 115.700 -0.193 0.000 2.599 493 S HA 0.361 4.831 4.470 -0.001 0.000 0.294 493 S C 0.710 175.223 174.600 -0.145 0.000 1.094 493 S CA 0.126 58.163 58.200 -0.271 0.000 0.931 493 S CB 1.349 64.450 63.200 -0.165 0.000 1.093 493 S HN 0.953 nan 8.310 nan 0.000 0.488 494 T N -1.281 113.193 114.554 -0.133 0.000 2.996 494 T HA -0.092 4.257 4.350 -0.001 0.000 0.271 494 T C 1.430 176.153 174.700 0.039 0.000 1.126 494 T CA 1.871 63.955 62.100 -0.027 0.000 1.103 494 T CB -1.046 67.818 68.868 -0.007 0.000 0.870 494 T HN 0.626 nan 8.240 nan 0.000 0.528 495 T N 1.442 116.019 114.554 0.037 0.000 2.894 495 T HA 0.278 4.628 4.350 -0.001 0.000 0.258 495 T C 1.834 176.639 174.700 0.175 0.000 1.043 495 T CA 0.696 62.869 62.100 0.122 0.000 1.141 495 T CB -0.254 68.685 68.868 0.118 0.000 0.873 495 T HN 0.387 nan 8.240 nan 0.000 0.449 496 I N 1.440 122.054 120.570 0.074 0.000 2.226 496 I HA -0.163 4.007 4.170 -0.001 0.000 0.245 496 I C 2.894 179.031 176.117 0.033 0.000 1.100 496 I CA 0.986 62.313 61.300 0.045 0.000 1.374 496 I CB -0.436 37.564 38.000 -0.000 0.000 1.057 496 I HN 0.183 nan 8.210 nan 0.000 0.413 497 A N 0.883 123.724 122.820 0.036 0.000 1.948 497 A HA -0.294 4.025 4.320 -0.001 0.000 0.220 497 A C 2.219 179.823 177.584 0.034 0.000 1.177 497 A CA 1.807 53.862 52.037 0.031 0.000 0.636 497 A CB -1.010 18.010 19.000 0.034 0.000 0.815 497 A HN 0.529 nan 8.150 nan 0.000 0.449 498 F N 0.756 120.682 119.950 -0.039 0.000 2.146 498 F HA -0.114 4.413 4.527 -0.001 0.000 0.298 498 F C 2.064 177.822 175.800 -0.070 0.000 1.096 498 F CA 1.876 59.842 58.000 -0.058 0.000 1.275 498 F CB -0.466 38.506 39.000 -0.046 0.000 1.008 498 F HN 0.008 nan 8.300 nan 0.000 0.480 499 V N 1.336 121.010 119.914 -0.400 0.000 2.343 499 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 499 V C 2.550 178.436 176.094 -0.346 0.000 1.051 499 V CA 2.232 64.253 62.300 -0.466 0.000 1.036 499 V CB -0.781 30.971 31.823 -0.118 0.000 0.654 499 V HN 0.294 nan 8.190 nan 0.000 0.451 500 R N 0.247 120.633 120.500 -0.189 0.000 2.081 500 R HA -0.087 4.252 4.340 -0.001 0.000 0.235 500 R C 2.428 178.665 176.300 -0.105 0.000 1.131 500 R CA 1.450 57.482 56.100 -0.113 0.000 0.960 500 R CB -0.580 29.695 30.300 -0.042 0.000 0.856 500 R HN 0.528 nan 8.270 nan 0.000 0.436 501 A N 1.073 123.829 122.820 -0.108 0.000 1.969 501 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 501 A C 2.105 179.618 177.584 -0.118 0.000 1.169 501 A CA 0.857 52.926 52.037 0.053 0.000 0.635 501 A CB -0.406 18.575 19.000 -0.032 0.000 0.810 501 A HN 0.243 nan 8.150 nan 0.000 0.445 502 L N -0.385 120.562 121.223 -0.459 0.000 2.141 502 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 502 L C 2.129 178.805 176.870 -0.324 0.000 1.094 502 L CA 1.032 55.523 54.840 -0.582 0.000 0.763 502 L CB -0.355 41.205 42.059 -0.831 0.000 0.908 502 L HN 0.422 nan 8.230 nan 0.000 0.437 503 N N -0.599 117.958 118.700 -0.239 0.000 2.188 503 N HA -0.143 4.597 4.740 -0.001 0.000 0.184 503 N C 1.782 177.201 175.510 -0.153 0.000 1.018 503 N CA 1.236 54.191 53.050 -0.158 0.000 0.858 503 N CB -0.100 38.315 38.487 -0.119 0.000 0.989 503 N HN 0.161 nan 8.380 nan 0.000 0.426 504 V N 1.884 121.697 119.914 -0.170 0.000 2.343 504 V HA -0.189 3.931 4.120 -0.001 0.000 0.247 504 V C 2.328 178.264 176.094 -0.263 0.000 1.051 504 V CA 1.340 63.477 62.300 -0.271 0.000 1.036 504 V CB -0.403 31.107 31.823 -0.521 0.000 0.654 504 V HN 0.288 nan 8.190 nan 0.000 0.451 505 M N -0.903 118.582 119.600 -0.192 0.000 2.279 505 M HA -0.120 4.359 4.480 -0.001 0.000 0.264 505 M C 1.930 178.164 176.300 -0.109 0.000 1.062 505 M CA 1.649 56.874 55.300 -0.126 0.000 1.099 505 M CB -0.347 32.187 32.600 -0.110 0.000 1.394 505 M HN 0.270 nan 8.290 nan 0.000 0.426 506 L N -0.410 120.740 121.223 -0.121 0.000 2.552 506 L HA -0.081 4.259 4.340 -0.001 0.000 0.227 506 L C 1.917 178.743 176.870 -0.074 0.000 1.146 506 L CA 0.660 55.450 54.840 -0.083 0.000 0.858 506 L CB -0.208 41.804 42.059 -0.077 0.000 0.969 506 L HN 0.234 nan 8.230 nan 0.000 0.451 507 K N -0.566 119.776 120.400 -0.096 0.000 2.358 507 K HA 0.071 4.390 4.320 -0.001 0.000 0.197 507 K C 0.530 177.081 176.600 -0.081 0.000 1.025 507 K CA -0.164 56.071 56.287 -0.087 0.000 1.104 507 K CB 0.322 32.758 32.500 -0.107 0.000 0.855 507 K HN 0.114 nan 8.250 nan 0.000 0.531 508 N N 2.358 121.009 118.700 -0.081 0.000 2.414 508 N HA -0.015 4.725 4.740 -0.001 0.000 0.256 508 N C 0.871 176.359 175.510 -0.036 0.000 1.029 508 N CA 0.119 53.133 53.050 -0.060 0.000 0.948 508 N CB 1.075 39.528 38.487 -0.057 0.000 1.102 508 N HN 0.128 nan 8.380 nan 0.000 0.496 509 K N 2.033 122.416 120.400 -0.028 0.000 2.059 509 K HA -0.220 4.099 4.320 -0.001 0.000 0.212 509 K C 1.593 178.185 176.600 -0.013 0.000 1.050 509 K CA 1.728 58.003 56.287 -0.020 0.000 0.927 509 K CB -0.461 32.030 32.500 -0.014 0.000 0.714 509 K HN 0.371 nan 8.250 nan 0.000 0.447 510 S N 1.442 117.139 115.700 -0.005 0.000 2.359 510 S HA -0.164 4.305 4.470 -0.001 0.000 0.222 510 S C 2.069 176.665 174.600 -0.006 0.000 1.038 510 S CA 1.823 60.026 58.200 0.004 0.000 1.051 510 S CB -0.398 62.815 63.200 0.021 0.000 0.944 510 S HN 0.559 nan 8.310 nan 0.000 0.433 511 I N -0.564 120.001 120.570 -0.008 0.000 3.941 511 I HA 0.210 4.379 4.170 -0.001 0.000 0.321 511 I C 1.871 177.979 176.117 -0.014 0.000 1.284 511 I CA 0.474 61.763 61.300 -0.018 0.000 1.226 511 I CB -0.430 37.565 38.000 -0.007 0.000 1.045 511 I HN 0.271 nan 8.210 nan 0.000 0.420 512 K N 1.749 122.138 120.400 -0.019 0.000 2.071 512 K HA -0.265 4.055 4.320 -0.001 0.000 0.217 512 K C 1.118 177.713 176.600 -0.008 0.000 1.054 512 K CA 2.628 58.903 56.287 -0.021 0.000 0.937 512 K CB -0.767 31.716 32.500 -0.028 0.000 0.719 512 K HN 0.349 nan 8.250 nan 0.000 0.454 513 D N -0.420 119.970 120.400 -0.016 0.000 2.349 513 D HA 0.016 4.655 4.640 -0.001 0.000 0.215 513 D C 1.461 177.749 176.300 -0.019 0.000 1.016 513 D CA 0.246 54.234 54.000 -0.021 0.000 0.870 513 D CB 0.231 41.006 40.800 -0.042 0.000 0.917 513 D HN 0.220 nan 8.370 nan 0.000 0.524 514 R N 0.234 120.725 120.500 -0.015 0.000 2.297 514 R HA 0.185 4.524 4.340 -0.001 0.000 0.197 514 R C 0.731 177.050 176.300 0.030 0.000 0.943 514 R CA -0.102 55.985 56.100 -0.021 0.000 1.038 514 R CB -0.011 30.243 30.300 -0.077 0.000 0.957 514 R HN 0.200 nan 8.270 nan 0.000 0.484 515 L N 1.025 122.293 121.223 0.075 0.000 2.397 515 L HA 0.173 4.513 4.340 -0.001 0.000 0.271 515 L C 0.076 177.084 176.870 0.230 0.000 1.148 515 L CA -0.265 54.680 54.840 0.175 0.000 0.825 515 L CB 1.081 43.233 42.059 0.156 0.000 1.117 515 L HN -0.295 nan 8.230 nan 0.000 0.456 516 V N 3.408 123.502 119.914 0.300 0.000 2.380 516 V HA 0.268 4.388 4.120 -0.001 0.000 0.272 516 V C -2.387 173.914 176.094 0.345 0.000 1.011 516 V CA -1.496 60.985 62.300 0.301 0.000 0.826 516 V CB 1.187 33.182 31.823 0.286 0.000 1.040 516 V HN 0.583 nan 8.190 nan 0.000 0.441 517 P HA 0.408 nan 4.420 nan 0.000 0.276 517 P C -0.546 176.953 177.300 0.332 0.000 1.243 517 P CA 0.162 63.493 63.100 0.385 0.000 0.768 517 P CB 0.689 32.565 31.700 0.293 0.000 0.856 518 I N 4.516 125.339 120.570 0.420 0.000 2.465 518 I HA 0.517 4.686 4.170 -0.001 0.000 0.291 518 I C 0.068 176.500 176.117 0.525 0.000 1.014 518 I CA -0.716 60.809 61.300 0.375 0.000 1.093 518 I CB 1.756 39.928 38.000 0.287 0.000 1.267 518 I HN 0.153 nan 8.210 nan 0.000 0.431 519 I N 3.720 124.545 120.570 0.425 0.000 2.894 519 I HA 0.476 4.645 4.170 -0.001 0.000 0.302 519 I C -0.260 176.116 176.117 0.432 0.000 1.188 519 I CA -0.814 60.773 61.300 0.478 0.000 1.014 519 I CB 2.517 40.779 38.000 0.437 0.000 1.242 519 I HN 0.625 nan 8.210 nan 0.000 0.430 520 A N 3.147 126.267 122.820 0.499 0.000 2.969 520 A HA 0.429 4.749 4.320 -0.001 0.000 0.328 520 A C 0.399 178.202 177.584 0.365 0.000 1.355 520 A CA -0.054 52.225 52.037 0.403 0.000 1.018 520 A CB -0.094 19.186 19.000 0.468 0.000 1.159 520 A HN 0.931 nan 8.150 nan 0.000 0.505 521 D N 0.638 121.219 120.400 0.303 0.000 4.356 521 D HA -0.204 4.435 4.640 -0.001 0.000 0.223 521 D C 0.266 176.753 176.300 0.313 0.000 1.133 521 D CA 2.315 56.478 54.000 0.271 0.000 2.270 521 D CB -1.059 39.874 40.800 0.222 0.000 1.185 521 D HN 0.599 nan 8.370 nan 0.000 0.408 522 E N 1.200 121.611 120.200 0.352 0.000 2.562 522 E HA 0.237 4.586 4.350 -0.001 0.000 0.241 522 E C 0.613 177.420 176.600 0.345 0.000 1.136 522 E CA 0.797 57.380 56.400 0.306 0.000 0.952 522 E CB 0.404 30.342 29.700 0.398 0.000 0.975 522 E HN 0.465 nan 8.360 nan 0.000 0.494 523 A N 4.604 127.560 122.820 0.227 0.000 1.993 523 A HA 0.021 4.340 4.320 -0.001 0.000 0.202 523 A C 1.967 179.550 177.584 -0.002 0.000 1.461 523 A CA -0.101 52.071 52.037 0.225 0.000 0.824 523 A CB 0.146 19.275 19.000 0.215 0.000 1.024 523 A HN 0.273 nan 8.150 nan 0.000 0.507 524 R N 0.910 121.362 120.500 -0.080 0.000 2.119 524 R HA -0.156 4.184 4.340 -0.001 0.000 0.246 524 R C 2.228 178.419 176.300 -0.181 0.000 1.146 524 R CA 2.310 58.334 56.100 -0.126 0.000 0.962 524 R CB -1.464 28.786 30.300 -0.084 0.000 0.863 524 R HN 0.711 nan 8.270 nan 0.000 0.442 525 T N -1.241 113.121 114.554 -0.320 0.000 2.833 525 T HA -0.123 4.226 4.350 -0.001 0.000 0.269 525 T C 1.300 175.603 174.700 -0.662 0.000 1.054 525 T CA 1.131 62.877 62.100 -0.591 0.000 1.135 525 T CB -0.283 67.967 68.868 -1.031 0.000 0.869 525 T HN 0.124 nan 8.240 nan 0.000 0.466 526 F N 1.608 121.523 119.950 -0.059 0.000 2.668 526 F HA 0.554 5.080 4.527 -0.001 0.000 0.297 526 F C 1.644 177.445 175.800 0.002 0.000 1.124 526 F CA -1.631 56.348 58.000 -0.036 0.000 1.353 526 F CB -0.660 38.326 39.000 -0.024 0.000 0.992 526 F HN 0.256 nan 8.300 nan 0.000 0.524 527 G N 1.319 110.138 108.800 0.032 0.000 2.424 527 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.294 527 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.294 527 G C 0.925 175.840 174.900 0.026 0.000 0.939 527 G CA 0.293 45.392 45.100 -0.002 0.000 1.143 527 G HN 0.251 nan 8.290 nan 0.000 0.507 528 M N -0.026 119.581 119.600 0.012 0.000 2.428 528 M HA 0.063 4.542 4.480 -0.001 0.000 0.239 528 M C 2.337 178.508 176.300 -0.215 0.000 1.121 528 M CA 0.860 56.193 55.300 0.056 0.000 1.019 528 M CB -0.228 32.533 32.600 0.269 0.000 1.485 528 M HN 0.710 nan 8.290 nan 0.000 0.484 529 E N 0.318 120.268 120.200 -0.417 0.000 2.058 529 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 529 E C 1.863 178.350 176.600 -0.188 0.000 0.997 529 E CA 1.942 57.993 56.400 -0.582 0.000 0.801 529 E CB -1.093 28.392 29.700 -0.358 0.000 0.746 529 E HN 0.423 nan 8.360 nan 0.000 0.450 530 G N 2.147 110.904 108.800 -0.071 0.000 2.507 530 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.221 530 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.221 530 G C 1.816 176.764 174.900 0.081 0.000 1.119 530 G CA 1.371 46.475 45.100 0.007 0.000 0.751 530 G HN 0.251 nan 8.290 nan 0.000 0.574 531 L N -0.955 120.359 121.223 0.151 0.000 2.179 531 L HA 0.084 4.423 4.340 -0.001 0.000 0.208 531 L C 2.630 179.700 176.870 0.334 0.000 1.096 531 L CA 0.351 55.320 54.840 0.216 0.000 0.779 531 L CB -0.636 41.563 42.059 0.233 0.000 0.922 531 L HN 0.036 nan 8.230 nan 0.000 0.443 532 F N 1.590 121.574 119.950 0.056 0.000 2.065 532 F HA -0.230 4.296 4.527 -0.002 0.000 0.298 532 F C 2.833 178.661 175.800 0.046 0.000 1.112 532 F CA 1.589 59.626 58.000 0.062 0.000 1.212 532 F CB -0.882 38.157 39.000 0.065 0.000 0.975 532 F HN 0.190 nan 8.300 nan 0.000 0.476 533 R N 0.312 120.956 120.500 0.241 0.000 2.280 533 R HA -0.090 4.249 4.340 -0.001 0.000 0.207 533 R C 1.846 178.202 176.300 0.094 0.000 1.043 533 R CA 1.095 57.274 56.100 0.132 0.000 1.006 533 R CB -0.554 29.800 30.300 0.090 0.000 0.885 533 R HN 0.413 nan 8.270 nan 0.000 0.467 534 Q N 1.575 121.438 119.800 0.104 0.000 2.084 534 Q HA 0.048 4.387 4.340 -0.001 0.000 0.194 534 Q C 1.912 177.946 176.000 0.057 0.000 0.969 534 Q CA 1.162 57.005 55.803 0.067 0.000 0.829 534 Q CB 0.246 29.019 28.738 0.059 0.000 0.904 534 Q HN 0.592 nan 8.270 nan 0.000 0.464 535 I N -3.137 117.476 120.570 0.071 0.000 4.082 535 I HA 0.489 4.659 4.170 -0.001 0.000 0.337 535 I C 0.660 176.807 176.117 0.050 0.000 1.352 535 I CA 0.074 61.405 61.300 0.053 0.000 1.097 535 I CB 0.447 38.479 38.000 0.054 0.000 1.048 535 I HN 0.244 nan 8.210 nan 0.000 0.393 536 G N 2.664 111.493 108.800 0.049 0.000 2.888 536 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.441 536 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.441 536 G C -0.724 174.145 174.900 -0.052 0.000 1.461 536 G CA -0.193 44.916 45.100 0.015 0.000 0.897 536 G HN 0.392 nan 8.290 nan 0.000 0.547 537 I N -0.070 120.456 120.570 -0.073 0.000 2.433 537 I HA 0.308 4.477 4.170 -0.001 0.000 0.292 537 I C -0.033 176.110 176.117 0.043 0.000 1.001 537 I CA -0.949 60.296 61.300 -0.093 0.000 1.119 537 I CB 1.965 39.836 38.000 -0.216 0.000 1.289 537 I HN 0.577 nan 8.210 nan 0.000 0.438 538 Y N 5.782 126.082 120.300 -0.000 0.000 2.605 538 Y HA 0.184 4.733 4.550 -0.001 0.000 0.336 538 Y C 0.365 176.273 175.900 0.014 0.000 1.111 538 Y CA 0.233 58.368 58.100 0.059 0.000 1.422 538 Y CB 0.462 39.026 38.460 0.173 0.000 1.193 538 Y HN 0.527 nan 8.280 nan 0.000 0.526 539 S N 8.544 123.979 115.700 -0.442 0.000 2.397 539 S HA 0.414 4.883 4.470 -0.001 0.000 0.190 539 S C -2.872 171.465 174.600 -0.439 0.000 1.100 539 S CA -1.183 56.759 58.200 -0.429 0.000 1.150 539 S CB 0.203 63.286 63.200 -0.195 0.000 1.302 539 S HN 0.513 nan 8.310 nan 0.000 0.417 559 D N -1.089 119.278 120.400 -0.056 0.000 2.677 559 D HA 0.016 4.656 4.640 -0.001 0.000 0.298 559 D C 0.852 177.087 176.300 -0.109 0.000 1.250 559 D CA -0.692 53.254 54.000 -0.090 0.000 0.888 559 D CB 0.144 40.908 40.800 -0.060 0.000 1.397 559 D HN 0.132 nan 8.370 nan 0.000 0.461 560 E N -0.265 119.826 120.200 -0.181 0.000 2.455 560 E HA -0.178 4.172 4.350 -0.001 0.000 0.202 560 E C 0.585 177.219 176.600 0.056 0.000 1.045 560 E CA 0.798 57.064 56.400 -0.223 0.000 0.872 560 E CB -0.244 29.150 29.700 -0.510 0.000 0.792 560 E HN 0.380 nan 8.360 nan 0.000 0.542 561 K N 0.987 121.410 120.400 0.039 0.000 2.358 561 K HA 0.149 4.469 4.320 -0.001 0.000 0.197 561 K C 0.754 177.408 176.600 0.091 0.000 1.025 561 K CA 0.167 56.485 56.287 0.052 0.000 1.104 561 K CB 0.927 33.430 32.500 0.004 0.000 0.855 561 K HN 0.114 nan 8.250 nan 0.000 0.531 562 G N 1.487 110.383 108.800 0.160 0.000 2.380 562 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.242 562 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.242 562 G C 0.318 175.373 174.900 0.259 0.000 1.298 562 G CA -0.100 45.101 45.100 0.169 0.000 0.878 562 G HN 0.225 nan 8.290 nan 0.000 0.542 563 Q N 1.633 121.539 119.800 0.176 0.000 2.134 563 Q HA 0.076 4.416 4.340 -0.001 0.000 0.195 563 Q C 0.869 177.020 176.000 0.251 0.000 0.958 563 Q CA 0.101 56.038 55.803 0.223 0.000 0.840 563 Q CB -0.002 28.811 28.738 0.126 0.000 0.918 563 Q HN 0.633 nan 8.270 nan 0.000 0.467 564 I N 2.080 122.723 120.570 0.120 0.000 2.618 564 I HA -0.027 4.142 4.170 -0.001 0.000 0.284 564 I C -0.450 175.703 176.117 0.059 0.000 1.146 564 I CA 0.245 61.584 61.300 0.065 0.000 1.425 564 I CB 0.643 38.589 38.000 -0.089 0.000 1.383 564 I HN 0.178 nan 8.210 nan 0.000 0.562 565 L N 6.415 127.672 121.223 0.056 0.000 2.257 565 L HA 0.327 4.666 4.340 -0.001 0.000 0.290 565 L C -0.102 176.824 176.870 0.092 0.000 1.044 565 L CA -0.543 54.326 54.840 0.049 0.000 0.810 565 L CB 1.012 43.043 42.059 -0.048 0.000 1.193 565 L HN 0.558 nan 8.230 nan 0.000 0.425 566 Q N 2.680 122.535 119.800 0.092 0.000 2.398 566 Q HA 0.143 4.483 4.340 -0.001 0.000 0.251 566 Q C 0.137 176.214 176.000 0.129 0.000 0.999 566 Q CA -0.044 55.827 55.803 0.113 0.000 0.874 566 Q CB 1.087 29.868 28.738 0.071 0.000 1.215 566 Q HN 0.383 nan 8.270 nan 0.000 0.470 567 E N 3.053 123.338 120.200 0.141 0.000 2.472 567 E HA 0.220 4.569 4.350 -0.001 0.000 0.196 567 E C 0.612 177.289 176.600 0.129 0.000 1.033 567 E CA 0.653 57.131 56.400 0.130 0.000 0.886 567 E CB 0.291 30.026 29.700 0.058 0.000 0.944 567 E HN 0.919 nan 8.360 nan 0.000 0.492 568 G N 1.778 110.667 108.800 0.148 0.000 2.698 568 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.233 568 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.233 568 G C 0.065 175.045 174.900 0.135 0.000 1.352 568 G CA -0.286 44.896 45.100 0.136 0.000 0.879 568 G HN 0.205 nan 8.290 nan 0.000 0.567 569 I N 1.749 122.381 120.570 0.104 0.000 2.472 569 I HA 0.232 4.402 4.170 -0.001 0.000 0.305 569 I C 0.665 176.803 176.117 0.035 0.000 1.196 569 I CA 0.504 61.848 61.300 0.074 0.000 1.613 569 I CB -0.496 37.527 38.000 0.038 0.000 1.501 569 I HN 0.492 nan 8.210 nan 0.000 0.754 570 N N 3.914 122.640 118.700 0.043 0.000 3.111 570 N HA 0.065 4.804 4.740 -0.001 0.000 0.200 570 N C 0.372 175.859 175.510 -0.039 0.000 1.464 570 N CA -0.148 52.899 53.050 -0.005 0.000 0.758 570 N CB 0.620 39.118 38.487 0.018 0.000 1.548 570 N HN 0.200 nan 8.380 nan 0.000 0.595 571 E N 1.168 121.351 120.200 -0.029 0.000 2.070 571 E HA -0.091 4.259 4.350 -0.001 0.000 0.197 571 E C 1.552 178.042 176.600 -0.184 0.000 1.004 571 E CA 1.147 57.523 56.400 -0.039 0.000 0.805 571 E CB 0.010 29.684 29.700 -0.044 0.000 0.744 571 E HN 0.598 nan 8.360 nan 0.000 0.451 572 L N -0.086 121.032 121.223 -0.176 0.000 2.013 572 L HA -0.193 4.146 4.340 -0.001 0.000 0.212 572 L C 2.291 178.936 176.870 -0.376 0.000 1.073 572 L CA 1.658 56.366 54.840 -0.219 0.000 0.753 572 L CB -0.785 41.192 42.059 -0.136 0.000 0.890 572 L HN 0.340 nan 8.230 nan 0.000 0.432 573 G N -1.177 107.350 108.800 -0.454 0.000 2.418 573 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 573 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 573 G C 1.708 176.033 174.900 -0.958 0.000 1.158 573 G CA 0.747 45.214 45.100 -1.055 0.000 0.771 573 G HN 0.518 nan 8.290 nan 0.000 0.545 574 A N 0.957 123.441 122.820 -0.561 0.000 1.883 574 A HA 0.106 4.426 4.320 -0.001 0.000 0.217 574 A C 2.724 179.860 177.584 -0.746 0.000 1.186 574 A CA 2.223 53.889 52.037 -0.619 0.000 0.624 574 A CB -1.160 17.417 19.000 -0.705 0.000 0.822 574 A HN 0.561 nan 8.150 nan 0.000 0.444 575 G N -1.223 107.164 108.800 -0.688 0.000 2.432 575 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.219 575 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.219 575 G C 1.543 176.314 174.900 -0.216 0.000 1.135 575 G CA 1.278 46.098 45.100 -0.467 0.000 0.767 575 G HN 0.533 nan 8.290 nan 0.000 0.550 576 C N 0.325 119.438 119.300 -0.312 0.000 2.446 576 C HA 0.032 4.491 4.460 -0.001 0.000 0.277 576 C C 3.361 178.280 174.990 -0.118 0.000 1.275 576 C CA 1.156 60.066 59.018 -0.180 0.000 1.727 576 C CB -0.802 26.799 27.740 -0.233 0.000 2.010 576 C HN 0.407 nan 8.230 nan 0.000 0.486 577 S N -0.715 114.870 115.700 -0.193 0.000 2.356 577 S HA -0.244 4.225 4.470 -0.001 0.000 0.223 577 S C 1.442 175.945 174.600 -0.163 0.000 1.032 577 S CA 1.613 59.761 58.200 -0.087 0.000 1.005 577 S CB -0.451 62.727 63.200 -0.037 0.000 0.867 577 S HN 0.837 nan 8.310 nan 0.000 0.449 578 W N 1.658 122.758 121.300 -0.333 0.000 2.374 578 W HA -0.070 4.589 4.660 -0.001 0.000 0.288 578 W C 1.756 178.119 176.519 -0.259 0.000 1.218 578 W CA 0.715 57.898 57.345 -0.269 0.000 1.245 578 W CB -0.249 29.052 29.460 -0.264 0.000 1.126 578 W HN 0.254 nan 8.180 nan 0.000 0.545 579 L N 1.412 122.660 121.223 0.041 0.000 2.072 579 L HA 0.053 4.392 4.340 -0.001 0.000 0.205 579 L C 2.539 179.260 176.870 -0.249 0.000 1.079 579 L CA 2.548 57.351 54.840 -0.062 0.000 0.752 579 L CB -1.431 40.676 42.059 0.080 0.000 0.906 579 L HN 0.032 nan 8.230 nan 0.000 0.436 580 A N -0.293 122.333 122.820 -0.322 0.000 1.883 580 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 580 A C 2.449 179.448 177.584 -0.975 0.000 1.186 580 A CA 2.154 53.888 52.037 -0.505 0.000 0.624 580 A CB -1.292 17.384 19.000 -0.541 0.000 0.822 580 A HN 0.563 nan 8.150 nan 0.000 0.444 581 A N -0.378 121.635 122.820 -1.344 0.000 1.902 581 A HA 0.206 4.525 4.320 -0.001 0.000 0.217 581 A C 2.402 179.731 177.584 -0.424 0.000 1.181 581 A CA 1.963 53.418 52.037 -0.970 0.000 0.623 581 A CB -0.943 17.745 19.000 -0.520 0.000 0.818 581 A HN 1.168 nan 8.150 nan 0.000 0.443 582 A N -0.650 121.835 122.820 -0.559 0.000 2.209 582 A HA 0.117 4.437 4.320 -0.001 0.000 0.212 582 A C 1.813 179.364 177.584 -0.055 0.000 1.158 582 A CA 1.869 53.651 52.037 -0.425 0.000 0.742 582 A CB -0.724 17.675 19.000 -1.001 0.000 0.790 582 A HN 0.789 nan 8.150 nan 0.000 0.472 583 T N -4.764 109.724 114.554 -0.111 0.000 3.145 583 T HA 0.183 4.533 4.350 -0.001 0.000 0.281 583 T C 1.429 176.030 174.700 -0.165 0.000 1.003 583 T CA 0.689 62.710 62.100 -0.131 0.000 0.901 583 T CB 0.032 68.840 68.868 -0.100 0.000 1.112 583 T HN 0.191 nan 8.240 nan 0.000 0.535 584 S N 1.765 117.462 115.700 -0.004 0.000 2.383 584 S HA -0.199 4.271 4.470 -0.001 0.000 0.229 584 S C 1.968 176.622 174.600 0.090 0.000 1.030 584 S CA 1.614 59.887 58.200 0.122 0.000 1.002 584 S CB -0.750 62.629 63.200 0.298 0.000 0.829 584 S HN 0.801 nan 8.310 nan 0.000 0.467 585 Y N 1.427 121.794 120.300 0.113 0.000 2.181 585 Y HA -0.074 4.475 4.550 -0.001 0.000 0.284 585 Y C 2.537 178.541 175.900 0.173 0.000 1.179 585 Y CA 1.781 59.963 58.100 0.136 0.000 1.179 585 Y CB -1.152 37.417 38.460 0.181 0.000 0.973 585 Y HN 0.349 nan 8.280 nan 0.000 0.519 586 S N -0.781 114.538 115.700 -0.634 0.000 2.460 586 S HA -0.050 4.419 4.470 -0.001 0.000 0.226 586 S C 1.765 176.261 174.600 -0.173 0.000 1.057 586 S CA 0.841 58.790 58.200 -0.419 0.000 0.948 586 S CB -0.765 62.019 63.200 -0.695 0.000 0.822 586 S HN 0.581 nan 8.310 nan 0.000 0.512 587 T N 2.537 117.006 114.554 -0.141 0.000 2.904 587 T HA 0.116 4.465 4.350 -0.001 0.000 0.267 587 T C 0.990 175.719 174.700 0.047 0.000 1.059 587 T CA 1.049 63.140 62.100 -0.016 0.000 1.137 587 T CB -0.193 68.740 68.868 0.108 0.000 0.879 587 T HN 0.444 nan 8.240 nan 0.000 0.467 588 N N 0.687 119.425 118.700 0.064 0.000 2.160 588 N HA 0.113 4.852 4.740 -0.001 0.000 0.226 588 N C 0.041 175.600 175.510 0.082 0.000 1.256 588 N CA -0.043 53.054 53.050 0.078 0.000 0.890 588 N CB 0.285 38.831 38.487 0.099 0.000 1.116 588 N HN 0.140 nan 8.380 nan 0.000 0.517 589 N N 0.876 119.636 118.700 0.100 0.000 2.721 589 N HA -0.219 4.521 4.740 -0.001 0.000 0.249 589 N C -1.175 174.430 175.510 0.160 0.000 1.072 589 N CA 0.331 53.476 53.050 0.158 0.000 0.710 589 N CB -1.219 37.346 38.487 0.129 0.000 0.993 589 N HN 0.356 nan 8.380 nan 0.000 0.547 590 L N 0.500 121.807 121.223 0.139 0.000 2.492 590 L HA 0.537 4.877 4.340 -0.001 0.000 0.258 590 L C -2.335 174.575 176.870 0.068 0.000 1.028 590 L CA -1.524 53.368 54.840 0.086 0.000 0.900 590 L CB 1.445 43.541 42.059 0.061 0.000 1.191 590 L HN -0.070 nan 8.230 nan 0.000 0.459 591 P HA 0.085 nan 4.420 nan 0.000 0.262 591 P C -1.015 176.203 177.300 -0.136 0.000 1.182 591 P CA 0.269 63.294 63.100 -0.124 0.000 0.761 591 P CB 0.670 32.030 31.700 -0.568 0.000 0.795 592 M N 3.937 123.473 119.600 -0.107 0.000 2.393 592 M HA 0.442 4.921 4.480 -0.001 0.000 0.299 592 M C -0.125 176.010 176.300 -0.275 0.000 1.103 592 M CA -0.712 54.544 55.300 -0.073 0.000 0.910 592 M CB 2.028 34.746 32.600 0.197 0.000 1.659 592 M HN 0.220 nan 8.290 nan 0.000 0.445 593 I N 5.286 125.708 120.570 -0.247 0.000 2.405 593 I HA 0.340 4.509 4.170 -0.001 0.000 0.280 593 I C -2.258 173.838 176.117 -0.036 0.000 1.027 593 I CA -1.583 59.544 61.300 -0.289 0.000 1.161 593 I CB 1.675 39.520 38.000 -0.259 0.000 1.300 593 I HN 0.242 nan 8.210 nan 0.000 0.463 594 P HA 0.410 nan 4.420 nan 0.000 0.290 594 P C -1.201 176.095 177.300 -0.007 0.000 1.275 594 P CA -0.501 62.595 63.100 -0.007 0.000 0.841 594 P CB 1.215 32.788 31.700 -0.213 0.000 1.042 595 F N 2.249 122.495 119.950 0.494 0.000 2.496 595 F HA 0.299 4.826 4.527 -0.001 0.000 0.341 595 F C -0.171 175.974 175.800 0.575 0.000 1.134 595 F CA -0.732 57.622 58.000 0.589 0.000 0.968 595 F CB 1.226 40.540 39.000 0.524 0.000 1.205 595 F HN 0.234 nan 8.300 nan 0.000 0.436 596 Y N 5.615 126.202 120.300 0.477 0.000 2.342 596 Y HA 0.654 5.204 4.550 -0.001 0.000 0.338 596 Y C -1.162 174.790 175.900 0.086 0.000 0.965 596 Y CA -2.020 56.245 58.100 0.275 0.000 1.159 596 Y CB 0.843 39.368 38.460 0.108 0.000 1.157 596 Y HN 0.582 nan 8.280 nan 0.000 0.486 597 I N 9.076 129.515 120.570 -0.219 0.000 2.474 597 I HA 0.505 4.674 4.170 -0.001 0.000 0.294 597 I C -1.744 173.862 176.117 -0.850 0.000 1.005 597 I CA -0.762 60.058 61.300 -0.799 0.000 1.113 597 I CB 1.219 38.727 38.000 -0.821 0.000 1.289 597 I HN 0.736 nan 8.210 nan 0.000 0.436 598 Y N 3.884 123.618 120.300 -0.944 0.000 2.788 598 Y HA 0.409 4.959 4.550 -0.001 0.000 0.335 598 Y C -1.908 173.850 175.900 -0.237 0.000 1.287 598 Y CA -1.485 56.361 58.100 -0.423 0.000 1.068 598 Y CB 0.274 38.502 38.460 -0.387 0.000 1.340 598 Y HN 0.326 nan 8.280 nan 0.000 0.449 599 Y N 2.369 122.872 120.300 0.339 0.000 2.637 599 Y HA 0.191 4.740 4.550 -0.001 0.000 0.350 599 Y C 1.850 177.790 175.900 0.067 0.000 1.069 599 Y CA 0.885 59.102 58.100 0.195 0.000 1.397 599 Y CB 0.813 39.382 38.460 0.181 0.000 1.163 599 Y HN 0.797 nan 8.280 nan 0.000 0.527 600 S N 1.851 117.548 115.700 -0.005 0.000 2.421 600 S HA -0.403 4.066 4.470 -0.001 0.000 0.239 600 S C 1.967 176.643 174.600 0.126 0.000 1.054 600 S CA 1.804 60.072 58.200 0.115 0.000 1.035 600 S CB -0.368 62.878 63.200 0.077 0.000 0.840 600 S HN 0.806 nan 8.310 nan 0.000 0.475 601 M N 1.384 120.902 119.600 -0.137 0.000 2.159 601 M HA 0.125 4.605 4.480 -0.001 0.000 0.263 601 M C 0.503 176.670 176.300 -0.222 0.000 1.063 601 M CA 1.241 56.340 55.300 -0.334 0.000 1.110 601 M CB -0.835 31.366 32.600 -0.665 0.000 1.374 601 M HN 0.320 nan 8.290 nan 0.000 0.411 602 F N -0.319 119.723 119.950 0.153 0.000 2.701 602 F HA 0.446 4.972 4.527 -0.001 0.000 0.295 602 F C 1.495 177.220 175.800 -0.125 0.000 1.165 602 F CA -0.426 57.598 58.000 0.039 0.000 1.399 602 F CB -1.719 37.316 39.000 0.059 0.000 0.996 602 F HN 0.102 nan 8.300 nan 0.000 0.513 603 G N -0.180 108.630 108.800 0.016 0.000 3.372 603 G HA2 0.084 4.043 3.960 -0.001 0.000 0.178 603 G HA3 0.084 4.043 3.960 -0.001 0.000 0.178 603 G C 1.060 175.786 174.900 -0.290 0.000 1.817 603 G CA -0.200 44.694 45.100 -0.344 0.000 0.996 603 G HN 0.098 nan 8.290 nan 0.000 0.559 604 F N 0.789 120.617 119.950 -0.204 0.000 2.115 604 F HA -0.179 4.348 4.527 -0.001 0.000 0.300 604 F C 2.936 178.701 175.800 -0.059 0.000 1.092 604 F CA 1.961 59.877 58.000 -0.140 0.000 1.245 604 F CB -0.608 38.296 39.000 -0.161 0.000 0.995 604 F HN 0.367 nan 8.300 nan 0.000 0.481 605 Q N 0.260 120.163 119.800 0.171 0.000 2.112 605 Q HA -0.280 4.060 4.340 -0.001 0.000 0.206 605 Q C 2.304 178.363 176.000 0.099 0.000 0.987 605 Q CA 2.016 57.903 55.803 0.139 0.000 0.858 605 Q CB -0.079 28.749 28.738 0.150 0.000 0.905 605 Q HN 0.186 nan 8.270 nan 0.000 0.420 606 R N 0.532 121.076 120.500 0.073 0.000 2.156 606 R HA 0.095 4.434 4.340 -0.001 0.000 0.207 606 R C 1.565 177.850 176.300 -0.024 0.000 1.040 606 R CA 1.228 57.355 56.100 0.045 0.000 1.013 606 R CB 0.080 30.435 30.300 0.092 0.000 0.931 606 R HN 0.564 nan 8.270 nan 0.000 0.465 607 I N -3.644 116.876 120.570 -0.083 0.000 3.966 607 I HA 0.487 4.656 4.170 -0.001 0.000 0.324 607 I C 1.081 177.149 176.117 -0.081 0.000 1.517 607 I CA 0.009 61.243 61.300 -0.110 0.000 1.117 607 I CB 0.556 38.438 38.000 -0.197 0.000 1.190 607 I HN 0.044 nan 8.210 nan 0.000 0.466 608 G N 1.804 110.598 108.800 -0.010 0.000 2.596 608 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.223 608 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.223 608 G C 1.097 176.072 174.900 0.125 0.000 1.120 608 G CA 1.819 46.972 45.100 0.090 0.000 0.752 608 G HN 0.521 nan 8.290 nan 0.000 0.596 609 D N -0.630 119.817 120.400 0.078 0.000 2.183 609 D HA -0.028 4.612 4.640 -0.001 0.000 0.203 609 D C 2.316 178.704 176.300 0.148 0.000 0.969 609 D CA 0.356 54.422 54.000 0.110 0.000 0.842 609 D CB -0.146 40.687 40.800 0.055 0.000 0.957 609 D HN 0.224 nan 8.370 nan 0.000 0.484 610 L N -0.237 121.027 121.223 0.068 0.000 2.109 610 L HA -0.048 4.291 4.340 -0.001 0.000 0.207 610 L C 2.040 178.951 176.870 0.068 0.000 1.086 610 L CA 1.372 56.242 54.840 0.050 0.000 0.760 610 L CB -0.453 41.581 42.059 -0.041 0.000 0.910 610 L HN 0.143 nan 8.230 nan 0.000 0.437 611 C N -1.190 118.134 119.300 0.040 0.000 2.425 611 C HA -0.184 4.275 4.460 -0.001 0.000 0.277 611 C C 2.515 177.692 174.990 0.310 0.000 1.280 611 C CA 0.702 59.768 59.018 0.079 0.000 1.744 611 C CB -1.414 26.344 27.740 0.030 0.000 1.989 611 C HN 0.819 nan 8.230 nan 0.000 0.491 612 W N 1.748 123.138 121.300 0.149 0.000 2.379 612 W HA -0.098 4.561 4.660 -0.001 0.000 0.307 612 W C 2.412 179.023 176.519 0.154 0.000 1.200 612 W CA 1.634 59.075 57.345 0.160 0.000 1.297 612 W CB -0.585 28.940 29.460 0.109 0.000 1.140 612 W HN 0.328 nan 8.180 nan 0.000 0.507 613 A N 1.083 124.110 122.820 0.345 0.000 1.978 613 A HA -0.122 4.197 4.320 -0.001 0.000 0.220 613 A C 2.149 179.826 177.584 0.155 0.000 1.170 613 A CA 2.617 54.797 52.037 0.237 0.000 0.636 613 A CB -1.223 17.915 19.000 0.230 0.000 0.810 613 A HN 0.331 nan 8.150 nan 0.000 0.448 614 A N -0.519 122.394 122.820 0.155 0.000 1.902 614 A HA 0.128 4.447 4.320 -0.001 0.000 0.217 614 A C 2.395 180.091 177.584 0.187 0.000 1.181 614 A CA 1.854 53.978 52.037 0.145 0.000 0.623 614 A CB -1.307 17.731 19.000 0.062 0.000 0.818 614 A HN 0.732 nan 8.150 nan 0.000 0.443 615 G N -0.433 108.487 108.800 0.201 0.000 2.408 615 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 615 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 615 G C 1.325 176.211 174.900 -0.023 0.000 1.150 615 G CA 1.336 46.509 45.100 0.121 0.000 0.776 615 G HN 0.511 nan 8.290 nan 0.000 0.542 616 D N 0.089 120.439 120.400 -0.083 0.000 2.144 616 D HA -0.087 4.553 4.640 -0.001 0.000 0.200 616 D C 2.225 178.569 176.300 0.073 0.000 0.978 616 D CA 0.750 54.733 54.000 -0.029 0.000 0.833 616 D CB -0.218 40.592 40.800 0.017 0.000 0.961 616 D HN 0.400 nan 8.370 nan 0.000 0.470 617 Q N -0.445 119.416 119.800 0.101 0.000 2.415 617 Q HA 0.013 4.352 4.340 -0.001 0.000 0.206 617 Q C -0.179 175.879 176.000 0.097 0.000 0.946 617 Q CA 0.030 55.896 55.803 0.105 0.000 0.951 617 Q CB 0.132 28.950 28.738 0.134 0.000 1.026 617 Q HN 0.162 nan 8.270 nan 0.000 0.510 618 Q N -1.759 118.114 119.800 0.121 0.000 2.475 618 Q HA -0.217 4.122 4.340 -0.001 0.000 0.280 618 Q C -0.532 175.602 176.000 0.223 0.000 1.234 618 Q CA 0.980 56.882 55.803 0.164 0.000 0.873 618 Q CB -2.363 26.477 28.738 0.170 0.000 1.256 618 Q HN 0.479 nan 8.270 nan 0.000 0.475 619 A N 1.106 124.041 122.820 0.191 0.000 2.520 619 A HA 0.351 4.670 4.320 -0.001 0.000 0.245 619 A C 0.400 178.074 177.584 0.151 0.000 1.072 619 A CA 0.264 52.362 52.037 0.102 0.000 0.761 619 A CB 0.330 19.309 19.000 -0.035 0.000 1.004 619 A HN 0.300 nan 8.150 nan 0.000 0.499 620 R N 1.892 122.428 120.500 0.061 0.000 2.388 620 R HA 0.595 4.935 4.340 -0.001 0.000 0.314 620 R C 0.253 176.527 176.300 -0.043 0.000 0.959 620 R CA 0.208 56.311 56.100 0.004 0.000 0.851 620 R CB 1.938 32.066 30.300 -0.287 0.000 1.168 620 R HN 1.037 nan 8.270 nan 0.000 0.472 621 G N 1.755 110.527 108.800 -0.047 0.000 2.489 621 G HA2 0.457 4.417 3.960 -0.001 0.000 0.305 621 G HA3 0.457 4.417 3.960 -0.001 0.000 0.305 621 G C -1.840 173.087 174.900 0.044 0.000 1.311 621 G CA -0.622 44.393 45.100 -0.143 0.000 0.813 621 G HN 0.242 nan 8.290 nan 0.000 0.480 622 F N 0.087 120.252 119.950 0.359 0.000 2.507 622 F HA 0.660 5.187 4.527 -0.001 0.000 0.325 622 F C 0.116 176.254 175.800 0.563 0.000 1.116 622 F CA -0.652 57.595 58.000 0.413 0.000 0.930 622 F CB 2.293 41.318 39.000 0.043 0.000 1.146 622 F HN 0.111 nan 8.300 nan 0.000 0.447 623 L N 5.269 126.813 121.223 0.535 0.000 2.298 623 L HA 0.476 4.815 4.340 -0.001 0.000 0.284 623 L C -0.902 176.149 176.870 0.303 0.000 1.013 623 L CA -0.638 54.341 54.840 0.232 0.000 0.824 623 L CB 1.210 43.294 42.059 0.042 0.000 1.221 623 L HN 0.429 nan 8.230 nan 0.000 0.418 624 I N 3.361 123.910 120.570 -0.034 0.000 2.306 624 I HA 0.226 4.395 4.170 -0.001 0.000 0.288 624 I C 0.927 176.650 176.117 -0.657 0.000 1.036 624 I CA -0.213 60.885 61.300 -0.336 0.000 1.221 624 I CB 1.105 38.654 38.000 -0.752 0.000 1.385 624 I HN 0.568 nan 8.210 nan 0.000 0.472 625 G N 5.591 114.163 108.800 -0.379 0.000 2.519 625 G HA2 0.446 4.405 3.960 -0.001 0.000 0.306 625 G HA3 0.446 4.405 3.960 -0.001 0.000 0.306 625 G C 0.551 175.183 174.900 -0.447 0.000 0.965 625 G CA -0.301 44.523 45.100 -0.460 0.000 1.291 625 G HN 0.723 nan 8.290 nan 0.000 0.450 626 G N 1.319 109.720 108.800 -0.664 0.000 2.616 626 G HA2 0.475 4.435 3.960 -0.001 0.000 0.268 626 G HA3 0.475 4.435 3.960 -0.001 0.000 0.268 626 G C 0.915 175.780 174.900 -0.058 0.000 1.213 626 G CA 0.435 45.323 45.100 -0.354 0.000 0.926 626 G HN 1.615 nan 8.290 nan 0.000 0.523 627 T N -2.494 112.108 114.554 0.079 0.000 3.558 627 T HA -0.186 4.163 4.350 -0.001 0.000 0.391 627 T C 0.529 175.256 174.700 0.045 0.000 0.766 627 T CA 0.821 62.960 62.100 0.065 0.000 1.951 627 T CB -2.592 66.322 68.868 0.077 0.000 1.743 627 T HN 1.752 nan 8.240 nan 0.000 0.688 628 S N -0.335 115.374 115.700 0.014 0.000 2.730 628 S HA 0.839 5.309 4.470 -0.001 0.000 0.284 628 S C 0.743 175.304 174.600 -0.065 0.000 1.153 628 S CA -0.160 58.042 58.200 0.003 0.000 0.995 628 S CB 1.674 64.922 63.200 0.081 0.000 1.058 628 S HN 2.434 nan 8.310 nan 0.000 0.552 629 G N 0.592 109.240 108.800 -0.254 0.000 3.190 629 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.686 629 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.686 629 G C -0.008 174.658 174.900 -0.391 0.000 1.033 629 G CA -0.022 44.788 45.100 -0.484 0.000 0.797 629 G HN 0.898 nan 8.290 nan 0.000 0.567 630 R N 0.871 121.055 120.500 -0.527 0.000 2.096 630 R HA -0.131 4.209 4.340 -0.001 0.000 0.240 630 R C 3.058 179.182 176.300 -0.295 0.000 1.139 630 R CA 3.481 59.320 56.100 -0.436 0.000 0.952 630 R CB -0.511 29.361 30.300 -0.713 0.000 0.854 630 R HN 1.167 nan 8.270 nan 0.000 0.436 631 T N -3.888 110.498 114.554 -0.280 0.000 3.067 631 T HA 0.030 4.380 4.350 -0.001 0.000 0.261 631 T C 1.516 176.201 174.700 -0.024 0.000 1.110 631 T CA 1.179 63.229 62.100 -0.083 0.000 1.113 631 T CB -0.064 68.776 68.868 -0.047 0.000 0.917 631 T HN 0.216 nan 8.240 nan 0.000 0.499 632 T N 1.713 116.236 114.554 -0.051 0.000 2.978 632 T HA 0.225 4.574 4.350 -0.001 0.000 0.262 632 T C 0.784 175.498 174.700 0.023 0.000 1.063 632 T CA 0.152 62.255 62.100 0.006 0.000 1.140 632 T CB -0.193 68.683 68.868 0.014 0.000 0.886 632 T HN 0.235 nan 8.240 nan 0.000 0.470 633 L N 4.409 125.639 121.223 0.012 0.000 2.865 633 L HA 0.315 4.654 4.340 -0.001 0.000 0.233 633 L C 1.502 178.394 176.870 0.035 0.000 1.320 633 L CA -0.555 54.308 54.840 0.038 0.000 1.225 633 L CB -0.811 41.290 42.059 0.069 0.000 1.542 633 L HN 0.144 nan 8.230 nan 0.000 0.432 634 N N -0.307 118.415 118.700 0.038 0.000 2.091 634 N HA -0.223 4.516 4.740 -0.001 0.000 0.193 634 N C 1.419 176.953 175.510 0.039 0.000 1.021 634 N CA 1.648 54.728 53.050 0.050 0.000 0.862 634 N CB -0.461 38.060 38.487 0.057 0.000 1.018 634 N HN 0.479 nan 8.380 nan 0.000 0.429 635 G N 0.542 109.354 108.800 0.019 0.000 2.464 635 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.217 635 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.217 635 G C 1.467 176.356 174.900 -0.018 0.000 1.138 635 G CA 0.080 45.182 45.100 0.003 0.000 0.793 635 G HN 0.233 nan 8.290 nan 0.000 0.539 636 E N 0.614 120.788 120.200 -0.044 0.000 2.204 636 E HA 0.108 4.458 4.350 -0.001 0.000 0.194 636 E C 1.880 178.485 176.600 0.008 0.000 0.989 636 E CA 0.710 57.038 56.400 -0.118 0.000 0.824 636 E CB -0.350 29.174 29.700 -0.293 0.000 0.756 636 E HN 0.435 nan 8.360 nan 0.000 0.477 637 G N 1.285 110.124 108.800 0.066 0.000 2.593 637 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.237 637 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.237 637 G C 0.632 175.636 174.900 0.172 0.000 1.312 637 G CA -0.075 45.091 45.100 0.110 0.000 0.896 637 G HN 0.229 nan 8.290 nan 0.000 0.574 638 L N 0.509 121.834 121.223 0.169 0.000 1.997 638 L HA -0.195 4.144 4.340 -0.001 0.000 0.227 638 L C 2.542 179.550 176.870 0.230 0.000 1.087 638 L CA 3.337 58.302 54.840 0.208 0.000 0.797 638 L CB -1.129 41.009 42.059 0.132 0.000 0.902 638 L HN 0.821 nan 8.230 nan 0.000 0.441 639 Q N -2.093 117.833 119.800 0.209 0.000 2.365 639 Q HA -0.079 4.260 4.340 -0.001 0.000 0.203 639 Q C 0.988 177.002 176.000 0.022 0.000 0.929 639 Q CA 0.232 56.132 55.803 0.162 0.000 0.948 639 Q CB 0.199 29.022 28.738 0.141 0.000 1.043 639 Q HN 0.675 nan 8.270 nan 0.000 0.505 640 H N -0.862 118.236 119.070 0.047 0.000 3.091 640 H HA 0.167 4.723 4.556 -0.001 0.000 0.249 640 H C -0.291 174.994 175.328 -0.071 0.000 0.985 640 H CA -0.166 55.834 56.048 -0.080 0.000 1.177 640 H CB 0.886 30.634 29.762 -0.025 0.000 1.456 640 H HN 0.072 nan 8.280 nan 0.000 0.467 641 E N 2.080 122.350 120.200 0.116 0.000 2.104 641 E HA 0.046 4.396 4.350 -0.001 0.000 0.278 641 E C -0.757 175.819 176.600 -0.040 0.000 1.127 641 E CA -0.217 56.200 56.400 0.028 0.000 0.897 641 E CB 0.749 30.475 29.700 0.043 0.000 1.043 641 E HN 0.214 nan 8.360 nan 0.000 0.410 642 D N 2.514 122.832 120.400 -0.136 0.000 2.396 642 D HA 0.213 4.852 4.640 -0.001 0.000 0.225 642 D C 0.289 176.362 176.300 -0.377 0.000 1.121 642 D CA -0.546 53.309 54.000 -0.241 0.000 0.853 642 D CB 0.858 41.531 40.800 -0.211 0.000 1.043 642 D HN 0.489 nan 8.370 nan 0.000 0.500 643 G N 2.957 111.606 108.800 -0.251 0.000 4.100 643 G HA2 0.041 4.000 3.960 -0.001 0.000 0.294 643 G HA3 0.041 4.000 3.960 -0.001 0.000 0.294 643 G C 0.461 175.409 174.900 0.080 0.000 1.040 643 G CA -0.408 44.462 45.100 -0.384 0.000 0.829 643 G HN 0.690 nan 8.290 nan 0.000 0.505 644 H N -2.063 117.046 119.070 0.065 0.000 3.726 644 H HA 0.055 4.610 4.556 -0.001 0.000 0.262 644 H C 1.629 176.999 175.328 0.070 0.000 1.181 644 H CA 0.701 56.796 56.048 0.079 0.000 1.143 644 H CB -0.446 29.308 29.762 -0.013 0.000 1.627 644 H HN 0.222 nan 8.280 nan 0.000 0.750 645 S N 0.627 116.271 115.700 -0.093 0.000 2.419 645 S HA -0.193 4.276 4.470 -0.001 0.000 0.233 645 S C 1.557 176.035 174.600 -0.203 0.000 1.016 645 S CA 1.097 59.237 58.200 -0.100 0.000 0.974 645 S CB -0.827 62.403 63.200 0.051 0.000 0.786 645 S HN 0.472 nan 8.310 nan 0.000 0.492 646 H N 0.779 119.737 119.070 -0.186 0.000 2.495 646 H HA 0.140 4.695 4.556 -0.001 0.000 0.287 646 H C 1.721 176.957 175.328 -0.154 0.000 1.033 646 H CA 1.154 57.028 56.048 -0.291 0.000 1.307 646 H CB 0.027 29.280 29.762 -0.848 0.000 1.401 646 H HN 0.396 nan 8.280 nan 0.000 0.555 647 I N 0.569 121.139 120.570 -0.000 0.000 2.406 647 I HA -0.162 4.007 4.170 -0.001 0.000 0.249 647 I C 2.095 178.194 176.117 -0.030 0.000 1.122 647 I CA 0.922 62.247 61.300 0.042 0.000 1.431 647 I CB -0.810 37.239 38.000 0.081 0.000 1.087 647 I HN 0.228 nan 8.210 nan 0.000 0.424 648 Q N 0.544 120.285 119.800 -0.098 0.000 2.123 648 Q HA -0.114 4.225 4.340 -0.001 0.000 0.199 648 Q C 2.304 178.091 176.000 -0.355 0.000 0.966 648 Q CA 1.884 57.600 55.803 -0.144 0.000 0.845 648 Q CB -0.099 28.592 28.738 -0.079 0.000 0.907 648 Q HN 0.562 nan 8.270 nan 0.000 0.439 649 S N 0.743 116.032 115.700 -0.684 0.000 2.461 649 S HA -0.064 4.405 4.470 -0.001 0.000 0.228 649 S C 1.820 176.247 174.600 -0.289 0.000 1.005 649 S CA 0.487 58.179 58.200 -0.847 0.000 0.942 649 S CB -0.291 62.158 63.200 -1.251 0.000 0.776 649 S HN 0.395 nan 8.310 nan 0.000 0.514 650 L N 1.649 122.792 121.223 -0.132 0.000 2.610 650 L HA 0.289 4.628 4.340 -0.001 0.000 0.232 650 L C 1.921 178.791 176.870 0.000 0.000 1.149 650 L CA 1.174 55.996 54.840 -0.030 0.000 0.872 650 L CB -1.721 40.363 42.059 0.042 0.000 0.992 650 L HN 0.419 nan 8.230 nan 0.000 0.447 651 T N -2.955 111.607 114.554 0.014 0.000 3.067 651 T HA 0.275 4.625 4.350 -0.001 0.000 0.257 651 T C 0.824 175.668 174.700 0.240 0.000 1.105 651 T CA 0.094 62.260 62.100 0.110 0.000 1.104 651 T CB -0.485 68.447 68.868 0.106 0.000 0.925 651 T HN 0.296 nan 8.240 nan 0.000 0.498 652 I N 2.889 123.547 120.570 0.148 0.000 2.301 652 I HA 0.262 4.431 4.170 -0.001 0.000 0.292 652 I C -1.635 174.447 176.117 -0.059 0.000 1.046 652 I CA -2.575 58.791 61.300 0.110 0.000 1.282 652 I CB 1.700 39.772 38.000 0.121 0.000 1.409 652 I HN -0.059 nan 8.210 nan 0.000 0.484 653 P HA -0.188 nan 4.420 nan 0.000 0.215 653 P C 0.536 177.747 177.300 -0.149 0.000 1.157 653 P CA 1.403 64.442 63.100 -0.102 0.000 0.874 653 P CB -0.035 31.602 31.700 -0.105 0.000 0.790 654 N N -1.612 116.969 118.700 -0.198 0.000 2.378 654 N HA 0.039 4.778 4.740 -0.001 0.000 0.243 654 N C -0.879 174.407 175.510 -0.374 0.000 1.137 654 N CA -0.384 52.545 53.050 -0.201 0.000 0.862 654 N CB -1.143 37.275 38.487 -0.115 0.000 1.116 654 N HN 0.063 nan 8.380 nan 0.000 0.499 655 C N 1.233 120.265 119.300 -0.447 0.000 2.379 655 C HA 0.620 5.079 4.460 -0.001 0.000 0.323 655 C C -0.826 173.964 174.990 -0.332 0.000 1.262 655 C CA -0.964 57.677 59.018 -0.627 0.000 1.581 655 C CB -0.278 27.088 27.740 -0.625 0.000 2.221 655 C HN 0.358 nan 8.230 nan 0.000 0.497 656 I N 6.000 126.378 120.570 -0.321 0.000 2.328 656 I HA 0.341 4.510 4.170 -0.001 0.000 0.287 656 I C 0.432 176.337 176.117 -0.354 0.000 1.012 656 I CA 0.211 61.248 61.300 -0.438 0.000 1.195 656 I CB 0.998 38.565 38.000 -0.723 0.000 1.350 656 I HN 0.665 nan 8.210 nan 0.000 0.464 657 S N 6.299 121.827 115.700 -0.286 0.000 2.565 657 S HA 0.742 5.212 4.470 -0.001 0.000 0.290 657 S C -1.012 173.447 174.600 -0.234 0.000 1.150 657 S CA -0.429 57.740 58.200 -0.052 0.000 1.058 657 S CB 1.492 64.797 63.200 0.174 0.000 1.032 657 S HN 0.373 nan 8.310 nan 0.000 0.510 658 Y N 0.429 120.805 120.300 0.126 0.000 2.470 658 Y HA 0.355 4.904 4.550 -0.001 0.000 0.341 658 Y C -0.559 175.362 175.900 0.035 0.000 1.021 658 Y CA -0.965 57.173 58.100 0.064 0.000 1.025 658 Y CB 1.904 40.406 38.460 0.070 0.000 1.266 658 Y HN 0.629 nan 8.280 nan 0.000 0.448 659 D N 4.443 124.926 120.400 0.138 0.000 2.607 659 D HA 0.278 4.918 4.640 -0.001 0.000 0.318 659 D C -2.810 173.546 176.300 0.094 0.000 1.212 659 D CA -2.053 51.977 54.000 0.050 0.000 0.861 659 D CB 0.807 41.534 40.800 -0.121 0.000 1.064 659 D HN 0.055 nan 8.370 nan 0.000 0.500 660 P HA 0.130 nan 4.420 nan 0.000 0.272 660 P C 0.072 177.360 177.300 -0.020 0.000 1.230 660 P CA -0.151 62.975 63.100 0.043 0.000 0.788 660 P CB 1.992 33.712 31.700 0.034 0.000 0.949 661 A N 1.671 124.398 122.820 -0.156 0.000 1.993 661 A HA 0.180 4.499 4.320 -0.001 0.000 0.207 661 A C 0.306 177.672 177.584 -0.363 0.000 1.224 661 A CA 0.835 52.675 52.037 -0.328 0.000 0.749 661 A CB -0.397 18.198 19.000 -0.674 0.000 0.884 661 A HN 0.544 nan 8.150 nan 0.000 0.467 662 Y N -2.425 117.818 120.300 -0.096 0.000 2.567 662 Y HA 0.616 5.165 4.550 -0.001 0.000 0.333 662 Y C 1.449 177.206 175.900 -0.238 0.000 1.106 662 Y CA -0.839 57.127 58.100 -0.223 0.000 1.157 662 Y CB 1.259 39.331 38.460 -0.646 0.000 1.277 662 Y HN 0.056 nan 8.280 nan 0.000 0.490 663 A N 0.941 123.788 122.820 0.044 0.000 1.933 663 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 663 A C 1.783 179.402 177.584 0.057 0.000 1.175 663 A CA 1.994 54.051 52.037 0.033 0.000 0.628 663 A CB -1.355 17.672 19.000 0.045 0.000 0.814 663 A HN 0.908 nan 8.150 nan 0.000 0.444 664 Y N -0.029 120.328 120.300 0.094 0.000 2.333 664 Y HA -0.054 4.495 4.550 -0.001 0.000 0.290 664 Y C 1.721 177.637 175.900 0.027 0.000 1.144 664 Y CA 1.129 59.251 58.100 0.037 0.000 1.228 664 Y CB -0.823 37.644 38.460 0.011 0.000 0.985 664 Y HN 0.431 nan 8.280 nan 0.000 0.542 665 E N 0.910 121.096 120.200 -0.024 0.000 2.046 665 E HA -0.123 4.226 4.350 -0.001 0.000 0.190 665 E C 2.503 179.095 176.600 -0.013 0.000 0.982 665 E CA 1.589 58.004 56.400 0.025 0.000 0.800 665 E CB -0.315 29.364 29.700 -0.036 0.000 0.756 665 E HN 0.496 nan 8.360 nan 0.000 0.449 666 V N -0.085 119.819 119.914 -0.016 0.000 2.490 666 V HA -0.171 3.948 4.120 -0.001 0.000 0.250 666 V C 2.227 178.274 176.094 -0.078 0.000 1.061 666 V CA 1.719 64.011 62.300 -0.013 0.000 1.064 666 V CB -0.679 31.166 31.823 0.037 0.000 0.670 666 V HN 0.201 nan 8.190 nan 0.000 0.461 667 A N 0.711 123.474 122.820 -0.095 0.000 1.845 667 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 667 A C 2.412 179.801 177.584 -0.324 0.000 1.195 667 A CA 2.602 54.482 52.037 -0.262 0.000 0.616 667 A CB -1.148 17.790 19.000 -0.102 0.000 0.832 667 A HN 0.541 nan 8.150 nan 0.000 0.443 668 V N 0.284 120.116 119.914 -0.136 0.000 2.332 668 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 668 V C 2.437 178.498 176.094 -0.056 0.000 1.055 668 V CA 2.124 64.374 62.300 -0.083 0.000 1.038 668 V CB -0.804 31.007 31.823 -0.021 0.000 0.651 668 V HN 0.552 nan 8.190 nan 0.000 0.450 669 I N -0.734 119.774 120.570 -0.103 0.000 2.142 669 I HA -0.295 3.874 4.170 -0.001 0.000 0.240 669 I C 2.583 178.731 176.117 0.052 0.000 1.078 669 I CA 1.894 63.127 61.300 -0.112 0.000 1.343 669 I CB -0.316 37.523 38.000 -0.268 0.000 1.046 669 I HN 0.263 nan 8.210 nan 0.000 0.405 670 M N -0.457 119.132 119.600 -0.018 0.000 2.080 670 M HA -0.272 4.207 4.480 -0.001 0.000 0.260 670 M C 2.545 178.817 176.300 -0.047 0.000 1.068 670 M CA 1.818 57.084 55.300 -0.056 0.000 1.109 670 M CB -1.097 31.361 32.600 -0.237 0.000 1.342 670 M HN 0.401 nan 8.290 nan 0.000 0.405 671 H N 0.202 119.096 119.070 -0.293 0.000 2.321 671 H HA -0.200 4.355 4.556 -0.001 0.000 0.300 671 H C 1.482 176.832 175.328 0.037 0.000 1.087 671 H CA 2.311 58.281 56.048 -0.131 0.000 1.319 671 H CB -0.293 29.335 29.762 -0.223 0.000 1.379 671 H HN 0.339 nan 8.280 nan 0.000 0.501 672 D N -0.246 120.167 120.400 0.020 0.000 2.144 672 D HA -0.076 4.563 4.640 -0.001 0.000 0.199 672 D C 2.406 178.706 176.300 0.000 0.000 0.984 672 D CA 1.478 55.493 54.000 0.025 0.000 0.834 672 D CB -0.664 40.230 40.800 0.156 0.000 0.955 672 D HN 0.555 nan 8.370 nan 0.000 0.465 673 G N 0.082 108.830 108.800 -0.086 0.000 2.403 673 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.216 673 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.216 673 G C 1.725 176.585 174.900 -0.067 0.000 1.154 673 G CA 0.149 44.963 45.100 -0.477 0.000 0.784 673 G HN 0.316 nan 8.290 nan 0.000 0.538 674 L N -0.051 121.287 121.223 0.192 0.000 2.017 674 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 674 L C 2.839 179.787 176.870 0.130 0.000 1.073 674 L CA 1.921 56.922 54.840 0.268 0.000 0.745 674 L CB -0.213 41.986 42.059 0.235 0.000 0.894 674 L HN 0.334 nan 8.230 nan 0.000 0.432 675 E N -0.077 120.103 120.200 -0.034 0.000 2.031 675 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 675 E C 2.259 178.856 176.600 -0.004 0.000 0.994 675 E CA 1.328 57.696 56.400 -0.054 0.000 0.800 675 E CB 0.074 29.664 29.700 -0.183 0.000 0.752 675 E HN 0.271 nan 8.360 nan 0.000 0.447 676 R N -0.463 120.030 120.500 -0.012 0.000 2.070 676 R HA -0.092 4.247 4.340 -0.001 0.000 0.233 676 R C 2.566 178.829 176.300 -0.061 0.000 1.137 676 R CA 1.977 58.073 56.100 -0.006 0.000 0.945 676 R CB -0.298 30.035 30.300 0.054 0.000 0.845 676 R HN 0.287 nan 8.270 nan 0.000 0.430 677 M N -1.135 118.403 119.600 -0.104 0.000 2.123 677 M HA -0.113 4.366 4.480 -0.001 0.000 0.263 677 M C 1.047 177.054 176.300 -0.487 0.000 1.069 677 M CA 1.634 56.748 55.300 -0.309 0.000 1.133 677 M CB 0.080 32.481 32.600 -0.331 0.000 1.356 677 M HN 0.121 nan 8.290 nan 0.000 0.415 678 Y N -0.263 120.052 120.300 0.025 0.000 2.507 678 Y HA 0.343 4.893 4.550 -0.000 0.000 0.254 678 Y C 1.282 177.306 175.900 0.207 0.000 1.171 678 Y CA -0.607 57.561 58.100 0.113 0.000 1.238 678 Y CB -0.245 38.219 38.460 0.007 0.000 1.148 678 Y HN 0.064 nan 8.280 nan 0.000 0.525 679 G N -0.160 108.744 108.800 0.173 0.000 2.531 679 G HA2 0.122 4.081 3.960 -0.001 0.000 0.281 679 G HA3 0.122 4.081 3.960 -0.001 0.000 0.281 679 G C 0.534 175.474 174.900 0.067 0.000 1.382 679 G CA -0.437 44.741 45.100 0.130 0.000 1.045 679 G HN 0.291 nan 8.290 nan 0.000 0.533 680 E N -0.716 119.497 120.200 0.022 0.000 2.401 680 E HA -0.105 4.245 4.350 -0.001 0.000 0.199 680 E C 2.012 178.567 176.600 -0.075 0.000 1.023 680 E CA 0.631 57.005 56.400 -0.043 0.000 0.859 680 E CB 0.143 29.830 29.700 -0.021 0.000 0.780 680 E HN 0.496 nan 8.360 nan 0.000 0.523 681 K N 1.001 121.369 120.400 -0.052 0.000 2.155 681 K HA -0.123 4.197 4.320 -0.001 0.000 0.203 681 K C 0.408 176.951 176.600 -0.096 0.000 1.052 681 K CA 0.575 56.827 56.287 -0.059 0.000 0.948 681 K CB 0.215 32.695 32.500 -0.034 0.000 0.728 681 K HN -0.025 nan 8.250 nan 0.000 0.448 682 Q N 1.363 121.087 119.800 -0.128 0.000 2.416 682 Q HA -0.213 4.127 4.340 -0.001 0.000 0.319 682 Q C -0.948 174.953 176.000 -0.166 0.000 1.318 682 Q CA 0.652 56.339 55.803 -0.194 0.000 0.915 682 Q CB -1.469 27.109 28.738 -0.266 0.000 1.184 682 Q HN 0.454 nan 8.270 nan 0.000 0.444 683 E N 1.035 121.158 120.200 -0.127 0.000 2.376 683 E HA 0.006 4.356 4.350 -0.001 0.000 0.266 683 E C -0.106 176.438 176.600 -0.094 0.000 1.009 683 E CA -0.241 56.111 56.400 -0.081 0.000 0.902 683 E CB 0.533 30.210 29.700 -0.038 0.000 0.972 683 E HN 0.162 nan 8.360 nan 0.000 0.439 684 N N 4.181 122.854 118.700 -0.046 0.000 2.605 684 N HA 0.119 4.858 4.740 -0.001 0.000 0.258 684 N C -1.088 174.434 175.510 0.019 0.000 1.156 684 N CA 0.127 53.173 53.050 -0.006 0.000 1.008 684 N CB 0.888 39.401 38.487 0.043 0.000 1.354 684 N HN 0.133 nan 8.380 nan 0.000 0.509 685 V N 2.218 122.151 119.914 0.032 0.000 3.178 685 V HA 0.459 4.578 4.120 -0.001 0.000 0.302 685 V C -1.356 174.851 176.094 0.189 0.000 1.262 685 V CA -0.901 61.441 62.300 0.069 0.000 1.030 685 V CB 2.320 34.177 31.823 0.056 0.000 1.074 685 V HN 0.515 nan 8.190 nan 0.000 0.438 686 Y N 1.340 121.732 120.300 0.153 0.000 2.605 686 Y HA 0.875 5.424 4.550 -0.001 0.000 0.343 686 Y C -1.780 174.320 175.900 0.332 0.000 1.036 686 Y CA -1.484 56.746 58.100 0.218 0.000 1.065 686 Y CB 1.356 40.030 38.460 0.357 0.000 1.288 686 Y HN 0.466 nan 8.280 nan 0.000 0.481 687 Y N 1.504 121.940 120.300 0.228 0.000 2.446 687 Y HA 0.482 5.031 4.550 -0.001 0.000 0.338 687 Y C -1.225 174.970 175.900 0.493 0.000 1.055 687 Y CA -1.530 56.704 58.100 0.225 0.000 1.101 687 Y CB 1.779 40.260 38.460 0.036 0.000 1.221 687 Y HN 0.684 nan 8.280 nan 0.000 0.460 688 Y N 4.336 124.875 120.300 0.398 0.000 2.327 688 Y HA 0.645 5.194 4.550 -0.001 0.000 0.325 688 Y C -1.593 174.492 175.900 0.308 0.000 0.999 688 Y CA -1.936 56.375 58.100 0.351 0.000 1.195 688 Y CB 0.368 39.016 38.460 0.312 0.000 1.132 688 Y HN 0.486 nan 8.280 nan 0.000 0.455 689 I N 5.730 126.320 120.570 0.034 0.000 2.465 689 I HA 0.386 4.556 4.170 -0.001 0.000 0.291 689 I C -0.305 175.619 176.117 -0.323 0.000 1.014 689 I CA -0.939 60.330 61.300 -0.051 0.000 1.093 689 I CB 2.336 40.458 38.000 0.202 0.000 1.267 689 I HN 0.602 nan 8.210 nan 0.000 0.431 690 T N 1.238 115.602 114.554 -0.315 0.000 2.799 690 T HA 0.587 4.937 4.350 -0.001 0.000 0.286 690 T C 0.042 174.692 174.700 -0.084 0.000 0.973 690 T CA -0.691 61.274 62.100 -0.226 0.000 1.035 690 T CB 1.220 70.051 68.868 -0.062 0.000 0.932 690 T HN 0.693 nan 8.240 nan 0.000 0.469 691 T N 1.162 115.648 114.554 -0.113 0.000 2.942 691 T HA 0.756 5.105 4.350 -0.001 0.000 0.289 691 T C -0.227 174.459 174.700 -0.024 0.000 1.044 691 T CA -1.097 60.964 62.100 -0.064 0.000 1.023 691 T CB 0.982 69.785 68.868 -0.109 0.000 1.123 691 T HN 0.568 nan 8.240 nan 0.000 0.512 692 L N 1.710 122.935 121.223 0.003 0.000 2.331 692 L HA 0.558 4.897 4.340 -0.001 0.000 0.268 692 L C 0.900 177.775 176.870 0.008 0.000 1.015 692 L CA -1.198 53.653 54.840 0.019 0.000 0.807 692 L CB 1.115 43.201 42.059 0.045 0.000 1.293 692 L HN 0.888 nan 8.230 nan 0.000 0.451 693 N N -0.701 118.008 118.700 0.014 0.000 2.200 693 N HA 0.012 4.751 4.740 -0.001 0.000 0.224 693 N C -0.261 175.246 175.510 -0.004 0.000 1.179 693 N CA -0.256 52.794 53.050 0.000 0.000 0.877 693 N CB 0.456 38.940 38.487 -0.005 0.000 1.072 693 N HN 0.682 nan 8.380 nan 0.000 0.519 694 E N 1.063 121.263 120.200 0.000 0.000 2.109 694 E HA 0.206 4.556 4.350 -0.001 0.000 0.278 694 E C -0.867 175.668 176.600 -0.109 0.000 0.954 694 E CA -0.629 55.791 56.400 0.033 0.000 0.779 694 E CB 0.587 30.390 29.700 0.171 0.000 1.093 694 E HN 0.073 nan 8.360 nan 0.000 0.401 695 N N 3.010 121.670 118.700 -0.067 0.000 2.503 695 N HA 0.246 4.985 4.740 -0.001 0.000 0.267 695 N C -0.936 174.565 175.510 -0.014 0.000 1.214 695 N CA 0.233 53.199 53.050 -0.141 0.000 0.959 695 N CB 0.670 39.136 38.487 -0.035 0.000 1.142 695 N HN 0.470 nan 8.380 nan 0.000 0.455 696 Y N -3.250 117.098 120.300 0.080 0.000 2.765 696 Y HA 0.210 4.759 4.550 -0.001 0.000 0.350 696 Y C -0.472 175.505 175.900 0.129 0.000 1.196 696 Y CA -1.153 57.012 58.100 0.109 0.000 1.119 696 Y CB 0.212 38.741 38.460 0.115 0.000 1.368 696 Y HN 0.482 nan 8.280 nan 0.000 0.463 697 H N 4.030 123.313 119.070 0.355 0.000 3.070 697 H HA 0.178 4.734 4.556 -0.001 0.000 0.313 697 H C -0.845 174.681 175.328 0.330 0.000 0.997 697 H CA 0.693 56.890 56.048 0.248 0.000 1.438 697 H CB 0.681 30.535 29.762 0.155 0.000 1.455 697 H HN 0.606 nan 8.280 nan 0.000 0.575 698 M N 8.835 128.208 119.600 -0.378 0.000 2.047 698 M HA 0.242 4.721 4.480 -0.001 0.000 0.342 698 M C -2.344 173.710 176.300 -0.410 0.000 1.058 698 M CA -2.131 53.064 55.300 -0.176 0.000 0.991 698 M CB 1.220 33.795 32.600 -0.041 0.000 1.474 698 M HN 0.490 nan 8.290 nan 0.000 0.419 699 P HA 0.322 nan 4.420 nan 0.000 0.277 699 P C -0.596 176.712 177.300 0.013 0.000 1.271 699 P CA -0.426 62.619 63.100 -0.092 0.000 0.795 699 P CB 0.790 32.468 31.700 -0.038 0.000 1.101 700 A N 1.408 124.220 122.820 -0.014 0.000 2.351 700 A HA 0.352 4.671 4.320 -0.001 0.000 0.257 700 A C 0.659 178.023 177.584 -0.367 0.000 1.087 700 A CA -0.576 51.407 52.037 -0.089 0.000 0.798 700 A CB -0.309 18.640 19.000 -0.084 0.000 1.033 700 A HN 0.702 nan 8.150 nan 0.000 0.488 701 M N 1.986 121.133 119.600 -0.754 0.000 2.245 701 M HA 0.275 4.755 4.480 -0.001 0.000 0.344 701 M C -2.234 173.693 176.300 -0.621 0.000 1.170 701 M CA -1.218 53.204 55.300 -1.464 0.000 1.135 701 M CB 0.383 32.298 32.600 -1.141 0.000 1.574 701 M HN 0.353 nan 8.290 nan 0.000 0.452 702 P HA 0.089 nan 4.420 nan 0.000 0.274 702 P C -1.373 175.813 177.300 -0.191 0.000 1.237 702 P CA -0.325 62.655 63.100 -0.199 0.000 0.793 702 P CB 0.479 32.147 31.700 -0.054 0.000 0.977 703 E N 1.118 121.248 120.200 -0.117 0.000 2.376 703 E HA 0.208 4.557 4.350 -0.001 0.000 0.266 703 E C 0.840 177.396 176.600 -0.073 0.000 1.009 703 E CA 0.560 56.904 56.400 -0.093 0.000 0.902 703 E CB -0.327 29.336 29.700 -0.061 0.000 0.972 703 E HN 0.747 nan 8.360 nan 0.000 0.439 704 G N 3.042 111.798 108.800 -0.073 0.000 2.155 704 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.257 704 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.257 704 G C 0.739 175.607 174.900 -0.053 0.000 0.983 704 G CA 0.538 45.610 45.100 -0.046 0.000 0.676 704 G HN 0.721 nan 8.290 nan 0.000 0.528 705 A N -0.448 122.299 122.820 -0.121 0.000 2.208 705 A HA 0.443 4.762 4.320 -0.001 0.000 0.209 705 A C 1.846 179.309 177.584 -0.202 0.000 1.161 705 A CA 1.692 53.606 52.037 -0.205 0.000 0.782 705 A CB -0.160 18.592 19.000 -0.413 0.000 0.816 705 A HN 0.545 nan 8.150 nan 0.000 0.477 706 E N 0.256 120.383 120.200 -0.122 0.000 2.033 706 E HA -0.241 4.108 4.350 -0.001 0.000 0.199 706 E C 1.929 178.512 176.600 -0.028 0.000 1.011 706 E CA 1.562 57.917 56.400 -0.075 0.000 0.815 706 E CB -0.209 29.463 29.700 -0.047 0.000 0.755 706 E HN 0.534 nan 8.360 nan 0.000 0.451 707 E N 0.240 120.440 120.200 0.001 0.000 2.065 707 E HA -0.171 4.179 4.350 -0.001 0.000 0.201 707 E C 2.152 178.776 176.600 0.038 0.000 1.016 707 E CA 1.725 58.137 56.400 0.020 0.000 0.818 707 E CB -0.957 28.767 29.700 0.039 0.000 0.749 707 E HN 0.295 nan 8.360 nan 0.000 0.453 708 G N 0.727 109.607 108.800 0.133 0.000 2.476 708 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.218 708 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.218 708 G C 1.809 176.840 174.900 0.218 0.000 1.164 708 G CA 1.130 46.403 45.100 0.288 0.000 0.768 708 G HN 0.359 nan 8.290 nan 0.000 0.560 709 I N 0.173 120.784 120.570 0.068 0.000 2.264 709 I HA -0.191 3.978 4.170 -0.001 0.000 0.248 709 I C 2.997 179.187 176.117 0.123 0.000 1.111 709 I CA 1.163 62.520 61.300 0.095 0.000 1.382 709 I CB -0.166 37.818 38.000 -0.027 0.000 1.060 709 I HN 0.127 nan 8.210 nan 0.000 0.418 710 R N 0.204 120.751 120.500 0.080 0.000 2.153 710 R HA -0.086 4.253 4.340 -0.001 0.000 0.218 710 R C 2.114 178.510 176.300 0.161 0.000 1.072 710 R CA 0.643 56.817 56.100 0.124 0.000 0.990 710 R CB -0.097 30.253 30.300 0.083 0.000 0.889 710 R HN 0.064 nan 8.270 nan 0.000 0.452 711 K N -0.824 119.587 120.400 0.018 0.000 2.243 711 K HA 0.066 4.385 4.320 -0.001 0.000 0.201 711 K C 1.038 177.627 176.600 -0.017 0.000 1.051 711 K CA 1.202 57.392 56.287 -0.163 0.000 0.970 711 K CB 0.511 32.586 32.500 -0.708 0.000 0.755 711 K HN 0.311 nan 8.250 nan 0.000 0.465 712 G N -0.256 108.630 108.800 0.143 0.000 2.260 712 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.179 712 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.179 712 G C -0.021 174.942 174.900 0.106 0.000 1.002 712 G CA -0.094 45.074 45.100 0.114 0.000 0.677 712 G HN 0.220 nan 8.290 nan 0.000 0.486 713 I N -0.015 120.717 120.570 0.269 0.000 2.800 713 I HA 0.580 4.749 4.170 -0.001 0.000 0.294 713 I C -1.869 174.509 176.117 0.435 0.000 1.538 713 I CA -1.399 60.040 61.300 0.232 0.000 1.010 713 I CB 1.848 39.863 38.000 0.025 0.000 1.381 713 I HN 0.535 nan 8.210 nan 0.000 0.462 714 Y N 4.220 124.645 120.300 0.209 0.000 2.521 714 Y HA 0.436 4.985 4.550 -0.001 0.000 0.332 714 Y C -1.375 174.662 175.900 0.229 0.000 1.121 714 Y CA -1.325 56.902 58.100 0.212 0.000 1.037 714 Y CB 0.747 39.314 38.460 0.178 0.000 1.330 714 Y HN 0.525 nan 8.280 nan 0.000 0.452 715 K N 4.300 124.797 120.400 0.162 0.000 2.402 715 K HA 0.181 4.500 4.320 -0.001 0.000 0.285 715 K C 0.208 176.721 176.600 -0.145 0.000 1.054 715 K CA -0.164 55.958 56.287 -0.275 0.000 1.001 715 K CB 0.580 32.904 32.500 -0.294 0.000 0.946 715 K HN 1.052 nan 8.250 nan 0.000 0.473 716 L N 3.273 124.335 121.223 -0.268 0.000 2.044 716 L HA -0.091 4.248 4.340 -0.001 0.000 0.205 716 L C 0.631 177.485 176.870 -0.025 0.000 1.075 716 L CA 1.552 56.350 54.840 -0.069 0.000 0.747 716 L CB 0.036 42.050 42.059 -0.074 0.000 0.903 716 L HN 0.873 nan 8.230 nan 0.000 0.435 717 E N -2.481 117.649 120.200 -0.116 0.000 2.422 717 E HA 0.237 4.586 4.350 -0.001 0.000 0.280 717 E C -1.314 175.211 176.600 -0.126 0.000 1.091 717 E CA -0.836 55.515 56.400 -0.082 0.000 0.849 717 E CB 1.387 31.069 29.700 -0.030 0.000 1.353 717 E HN -0.268 nan 8.360 nan 0.000 0.449 718 T N 1.531 116.038 114.554 -0.078 0.000 2.815 718 T HA 0.451 4.801 4.350 -0.001 0.000 0.289 718 T C -0.420 174.261 174.700 -0.032 0.000 1.000 718 T CA -0.533 61.527 62.100 -0.068 0.000 0.958 718 T CB 0.337 69.172 68.868 -0.055 0.000 0.944 718 T HN 0.340 nan 8.240 nan 0.000 0.442 719 I N 3.539 124.097 120.570 -0.021 0.000 2.307 719 I HA 0.257 4.426 4.170 -0.001 0.000 0.287 719 I C 0.740 176.861 176.117 0.007 0.000 1.054 719 I CA -0.853 60.446 61.300 -0.002 0.000 1.218 719 I CB 0.700 38.706 38.000 0.009 0.000 1.398 719 I HN 0.420 nan 8.210 nan 0.000 0.475 720 E N 4.335 124.540 120.200 0.007 0.000 2.409 720 E HA 0.500 4.850 4.350 -0.001 0.000 0.257 720 E C 0.307 176.919 176.600 0.020 0.000 1.150 720 E CA 0.126 56.533 56.400 0.012 0.000 0.942 720 E CB 1.374 31.080 29.700 0.009 0.000 0.979 720 E HN 0.843 nan 8.360 nan 0.000 0.447 721 G N 0.098 108.912 108.800 0.024 0.000 2.433 721 G HA2 0.235 4.194 3.960 -0.001 0.000 0.306 721 G HA3 0.235 4.194 3.960 -0.001 0.000 0.306 721 G C -0.705 174.214 174.900 0.032 0.000 1.627 721 G CA -0.263 44.856 45.100 0.031 0.000 0.893 721 G HN 0.484 nan 8.290 nan 0.000 0.648 722 S N 1.125 116.844 115.700 0.031 0.000 2.632 722 S HA 0.801 5.270 4.470 -0.001 0.000 0.271 722 S C 0.770 175.394 174.600 0.039 0.000 1.260 722 S CA 0.331 58.549 58.200 0.030 0.000 1.010 722 S CB 2.034 65.249 63.200 0.024 0.000 0.965 722 S HN 1.162 nan 8.310 nan 0.000 0.534 723 K N -0.707 119.716 120.400 0.038 0.000 3.436 723 K HA -0.088 4.232 4.320 -0.001 0.000 0.294 723 K C 0.302 176.928 176.600 0.044 0.000 0.831 723 K CA 1.571 57.885 56.287 0.045 0.000 1.287 723 K CB -1.905 30.632 32.500 0.062 0.000 1.233 723 K HN 1.626 nan 8.250 nan 0.000 0.540 724 G N 0.085 108.910 108.800 0.042 0.000 2.325 724 G HA2 0.450 4.409 3.960 -0.001 0.000 0.297 724 G HA3 0.450 4.409 3.960 -0.001 0.000 0.297 724 G C -2.027 172.896 174.900 0.038 0.000 1.448 724 G CA -0.525 44.597 45.100 0.038 0.000 0.838 724 G HN 0.001 nan 8.290 nan 0.000 0.579 725 K N -0.076 120.346 120.400 0.036 0.000 2.468 725 K HA 0.754 5.074 4.320 -0.001 0.000 0.252 725 K C -0.451 176.176 176.600 0.045 0.000 0.932 725 K CA -0.507 55.804 56.287 0.040 0.000 0.794 725 K CB 1.783 34.306 32.500 0.038 0.000 1.241 725 K HN 1.441 nan 8.250 nan 0.000 0.428 726 V N -0.259 119.687 119.914 0.053 0.000 3.160 726 V HA 0.637 4.757 4.120 -0.001 0.000 0.310 726 V C -1.081 175.071 176.094 0.096 0.000 1.181 726 V CA -0.953 61.387 62.300 0.066 0.000 1.047 726 V CB 2.155 34.009 31.823 0.050 0.000 1.068 726 V HN 0.706 nan 8.190 nan 0.000 0.441 727 Q N 1.250 121.130 119.800 0.133 0.000 2.353 727 Q HA 0.748 5.087 4.340 -0.001 0.000 0.268 727 Q C -1.576 174.548 176.000 0.206 0.000 1.045 727 Q CA -0.619 55.318 55.803 0.222 0.000 0.811 727 Q CB 2.715 31.620 28.738 0.278 0.000 1.305 727 Q HN 0.726 nan 8.270 nan 0.000 0.447 728 L N 3.597 124.955 121.223 0.225 0.000 2.343 728 L HA 0.495 4.835 4.340 -0.001 0.000 0.278 728 L C -1.236 175.769 176.870 0.225 0.000 0.996 728 L CA -0.761 54.184 54.840 0.176 0.000 0.831 728 L CB 1.023 43.144 42.059 0.103 0.000 1.232 728 L HN 0.332 nan 8.230 nan 0.000 0.413 729 L N 2.748 124.100 121.223 0.216 0.000 2.329 729 L HA 0.924 5.263 4.340 -0.001 0.000 0.279 729 L C 0.439 177.420 176.870 0.184 0.000 1.014 729 L CA -0.032 54.930 54.840 0.204 0.000 0.814 729 L CB 1.934 44.135 42.059 0.236 0.000 1.257 729 L HN 0.615 nan 8.230 nan 0.000 0.424 730 G N 0.236 109.108 108.800 0.119 0.000 2.692 730 G HA2 0.735 4.695 3.960 -0.001 0.000 0.291 730 G HA3 0.735 4.695 3.960 -0.001 0.000 0.291 730 G C -1.483 173.464 174.900 0.079 0.000 1.423 730 G CA -0.131 45.048 45.100 0.132 0.000 0.843 730 G HN 0.685 nan 8.290 nan 0.000 0.486 731 S N -1.137 114.647 115.700 0.141 0.000 2.720 731 S HA 0.874 5.343 4.470 -0.001 0.000 0.287 731 S C 0.995 175.665 174.600 0.116 0.000 1.168 731 S CA 0.627 58.893 58.200 0.109 0.000 0.832 731 S CB 1.200 64.526 63.200 0.209 0.000 1.166 731 S HN 2.649 nan 8.310 nan 0.000 0.493 732 G N 1.946 110.805 108.800 0.100 0.000 2.661 732 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.327 732 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.327 732 G C 1.069 176.022 174.900 0.090 0.000 1.320 732 G CA 1.829 46.999 45.100 0.118 0.000 0.997 732 G HN 2.199 nan 8.290 nan 0.000 0.543 733 S N -0.270 115.507 115.700 0.129 0.000 2.603 733 S HA 0.232 4.702 4.470 -0.001 0.000 0.220 733 S C 2.017 176.669 174.600 0.087 0.000 0.967 733 S CA 1.119 59.403 58.200 0.140 0.000 0.920 733 S CB 0.163 63.480 63.200 0.194 0.000 0.773 733 S HN 0.509 nan 8.310 nan 0.000 0.529 734 I N 1.002 121.609 120.570 0.061 0.000 2.852 734 I HA 0.140 4.309 4.170 -0.001 0.000 0.264 734 I C 2.113 178.304 176.117 0.124 0.000 1.179 734 I CA 0.266 61.601 61.300 0.057 0.000 1.480 734 I CB -1.223 36.791 38.000 0.024 0.000 1.111 734 I HN 0.341 nan 8.210 nan 0.000 0.441 735 L N 1.764 123.017 121.223 0.050 0.000 2.051 735 L HA -0.213 4.126 4.340 -0.001 0.000 0.214 735 L C 2.687 179.568 176.870 0.019 0.000 1.076 735 L CA 1.937 56.785 54.840 0.013 0.000 0.758 735 L CB -0.813 41.189 42.059 -0.094 0.000 0.890 735 L HN 0.151 nan 8.230 nan 0.000 0.433 736 R N -1.795 118.682 120.500 -0.038 0.000 2.127 736 R HA -0.211 4.128 4.340 -0.001 0.000 0.238 736 R C 2.093 178.316 176.300 -0.129 0.000 1.134 736 R CA 1.907 57.930 56.100 -0.128 0.000 0.975 736 R CB -0.264 29.812 30.300 -0.373 0.000 0.865 736 R HN 0.584 nan 8.270 nan 0.000 0.447 737 H N -1.158 117.883 119.070 -0.047 0.000 2.482 737 H HA -0.029 4.526 4.556 -0.001 0.000 0.286 737 H C 1.911 177.240 175.328 0.002 0.000 1.017 737 H CA 1.119 57.160 56.048 -0.012 0.000 1.322 737 H CB 0.060 29.826 29.762 0.005 0.000 1.426 737 H HN 0.181 nan 8.280 nan 0.000 0.546 738 V N -0.154 119.835 119.914 0.125 0.000 2.548 738 V HA -0.106 4.013 4.120 -0.001 0.000 0.249 738 V C 1.965 178.092 176.094 0.055 0.000 1.055 738 V CA 1.294 63.644 62.300 0.082 0.000 1.065 738 V CB -0.134 31.739 31.823 0.083 0.000 0.681 738 V HN 0.213 nan 8.190 nan 0.000 0.462 739 R N 0.311 120.838 120.500 0.044 0.000 2.148 739 R HA -0.059 4.280 4.340 -0.001 0.000 0.223 739 R C 2.406 178.719 176.300 0.020 0.000 1.088 739 R CA 1.484 57.605 56.100 0.034 0.000 0.985 739 R CB -0.256 30.071 30.300 0.045 0.000 0.880 739 R HN 0.756 nan 8.270 nan 0.000 0.451 740 E N 0.871 121.074 120.200 0.005 0.000 2.158 740 E HA -0.086 4.264 4.350 -0.001 0.000 0.191 740 E C 1.762 178.375 176.600 0.022 0.000 0.982 740 E CA 0.745 57.145 56.400 0.001 0.000 0.823 740 E CB 0.092 29.775 29.700 -0.027 0.000 0.766 740 E HN 0.297 nan 8.360 nan 0.000 0.468 741 A N 1.051 123.885 122.820 0.024 0.000 2.015 741 A HA -0.000 4.319 4.320 -0.001 0.000 0.219 741 A C 2.268 179.873 177.584 0.034 0.000 1.163 741 A CA 1.435 53.479 52.037 0.013 0.000 0.646 741 A CB -0.403 18.602 19.000 0.007 0.000 0.806 741 A HN 0.381 nan 8.150 nan 0.000 0.448 742 A N -0.270 122.573 122.820 0.039 0.000 1.874 742 A HA -0.026 4.293 4.320 -0.001 0.000 0.214 742 A C 1.959 179.576 177.584 0.054 0.000 1.189 742 A CA 1.827 53.891 52.037 0.044 0.000 0.615 742 A CB -0.426 18.593 19.000 0.033 0.000 0.830 742 A HN 0.470 nan 8.150 nan 0.000 0.443 743 E N 0.379 120.606 120.200 0.046 0.000 2.058 743 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 743 E C 1.715 178.360 176.600 0.075 0.000 0.997 743 E CA 1.495 57.924 56.400 0.048 0.000 0.801 743 E CB -0.401 29.320 29.700 0.034 0.000 0.746 743 E HN 0.586 nan 8.360 nan 0.000 0.450 744 I N 0.023 120.650 120.570 0.095 0.000 2.208 744 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 744 I C 2.278 178.536 176.117 0.235 0.000 1.097 744 I CA 0.892 62.285 61.300 0.157 0.000 1.363 744 I CB -0.147 37.960 38.000 0.179 0.000 1.051 744 I HN 0.201 nan 8.210 nan 0.000 0.413 745 L N 0.068 121.412 121.223 0.202 0.000 2.046 745 L HA -0.235 4.105 4.340 -0.001 0.000 0.208 745 L C 2.753 179.758 176.870 0.226 0.000 1.077 745 L CA 1.424 56.413 54.840 0.249 0.000 0.747 745 L CB -0.614 41.513 42.059 0.113 0.000 0.896 745 L HN 0.263 nan 8.230 nan 0.000 0.432 746 A N 0.061 122.961 122.820 0.133 0.000 1.835 746 A HA -0.268 4.051 4.320 -0.001 0.000 0.215 746 A C 2.348 179.980 177.584 0.080 0.000 1.199 746 A CA 2.037 54.131 52.037 0.094 0.000 0.615 746 A CB -0.581 18.454 19.000 0.060 0.000 0.838 746 A HN 0.305 nan 8.150 nan 0.000 0.444 747 K N -0.747 119.690 120.400 0.063 0.000 2.001 747 K HA -0.240 4.080 4.320 -0.001 0.000 0.214 747 K C 1.358 177.949 176.600 -0.016 0.000 1.050 747 K CA 2.108 58.411 56.287 0.026 0.000 0.934 747 K CB -0.275 32.239 32.500 0.024 0.000 0.718 747 K HN 0.387 nan 8.250 nan 0.000 0.443 748 D N -1.231 119.146 120.400 -0.037 0.000 2.234 748 D HA -0.067 4.573 4.640 -0.001 0.000 0.205 748 D C 0.714 176.717 176.300 -0.494 0.000 0.962 748 D CA 1.071 54.896 54.000 -0.291 0.000 0.855 748 D CB 0.192 40.735 40.800 -0.428 0.000 0.951 748 D HN 0.377 nan 8.370 nan 0.000 0.500 749 Y N -1.463 118.865 120.300 0.046 0.000 2.527 749 Y HA 0.350 4.899 4.550 -0.001 0.000 0.247 749 Y C 1.848 177.766 175.900 0.030 0.000 1.138 749 Y CA 0.015 58.138 58.100 0.039 0.000 1.228 749 Y CB 1.011 39.502 38.460 0.051 0.000 1.252 749 Y HN -0.020 nan 8.280 nan 0.000 0.531 750 G N 0.335 109.214 108.800 0.132 0.000 2.302 750 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.263 750 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.263 750 G C 0.256 175.212 174.900 0.095 0.000 0.995 750 G CA 0.379 45.533 45.100 0.089 0.000 0.622 750 G HN 0.123 nan 8.290 nan 0.000 0.538 751 V N 2.244 122.235 119.914 0.129 0.000 2.475 751 V HA 0.429 4.548 4.120 -0.001 0.000 0.292 751 V C 1.562 177.699 176.094 0.072 0.000 1.003 751 V CA 0.654 63.009 62.300 0.092 0.000 1.120 751 V CB 0.410 32.285 31.823 0.086 0.000 0.937 751 V HN 0.757 nan 8.190 nan 0.000 0.476 752 G N 3.995 112.826 108.800 0.053 0.000 2.547 752 G HA2 0.682 4.641 3.960 -0.001 0.000 0.291 752 G HA3 0.682 4.641 3.960 -0.001 0.000 0.291 752 G C -0.172 174.751 174.900 0.038 0.000 1.211 752 G CA 0.279 45.404 45.100 0.041 0.000 0.950 752 G HN 1.178 nan 8.290 nan 0.000 0.504 753 S N -1.061 114.656 115.700 0.027 0.000 2.595 753 S HA 0.433 4.903 4.470 -0.001 0.000 0.270 753 S C -2.187 172.408 174.600 -0.008 0.000 1.145 753 S CA -0.965 57.251 58.200 0.026 0.000 0.825 753 S CB 2.186 65.408 63.200 0.036 0.000 1.107 753 S HN 0.406 nan 8.310 nan 0.000 0.461 754 D N 1.311 121.706 120.400 -0.008 0.000 2.344 754 D HA 0.532 5.171 4.640 -0.001 0.000 0.239 754 D C -0.724 175.451 176.300 -0.208 0.000 1.064 754 D CA -0.173 53.736 54.000 -0.152 0.000 0.829 754 D CB 1.917 42.672 40.800 -0.074 0.000 1.129 754 D HN 0.449 nan 8.370 nan 0.000 0.506 755 V N 3.587 123.307 119.914 -0.323 0.000 2.370 755 V HA 0.300 4.419 4.120 -0.001 0.000 0.283 755 V C -0.778 175.080 176.094 -0.394 0.000 1.023 755 V CA -0.635 61.544 62.300 -0.201 0.000 0.857 755 V CB 0.446 32.216 31.823 -0.088 0.000 0.985 755 V HN 0.350 nan 8.190 nan 0.000 0.443 756 Y N 2.028 122.278 120.300 -0.082 0.000 2.341 756 Y HA 0.492 5.042 4.550 -0.001 0.000 0.338 756 Y C 0.565 176.317 175.900 -0.246 0.000 0.965 756 Y CA -0.574 57.415 58.100 -0.186 0.000 1.108 756 Y CB 2.091 40.463 38.460 -0.147 0.000 1.180 756 Y HN 0.554 nan 8.280 nan 0.000 0.458 757 S N 2.687 118.190 115.700 -0.328 0.000 2.465 757 S HA 0.488 4.957 4.470 -0.001 0.000 0.279 757 S C -0.816 173.646 174.600 -0.230 0.000 1.201 757 S CA -0.535 57.493 58.200 -0.287 0.000 1.053 757 S CB 0.031 63.009 63.200 -0.370 0.000 0.953 757 S HN 0.458 nan 8.310 nan 0.000 0.488 758 V N 6.433 126.227 119.914 -0.200 0.000 2.311 758 V HA 0.225 4.345 4.120 -0.001 0.000 0.275 758 V C 1.357 177.343 176.094 -0.180 0.000 1.022 758 V CA -0.274 61.822 62.300 -0.340 0.000 0.830 758 V CB 0.732 31.982 31.823 -0.954 0.000 1.012 758 V HN 1.092 nan 8.190 nan 0.000 0.452 759 T N 0.181 114.739 114.554 0.007 0.000 3.014 759 T HA 0.027 4.377 4.350 -0.001 0.000 0.263 759 T C 0.854 175.652 174.700 0.163 0.000 1.078 759 T CA 0.651 62.845 62.100 0.157 0.000 1.135 759 T CB 0.237 69.281 68.868 0.293 0.000 0.895 759 T HN 0.536 nan 8.240 nan 0.000 0.480 760 S N -0.302 115.377 115.700 -0.035 0.000 2.387 760 S HA 0.434 4.903 4.470 -0.001 0.000 0.211 760 S C -0.255 174.195 174.600 -0.251 0.000 1.055 760 S CA -0.786 57.312 58.200 -0.170 0.000 1.133 760 S CB -0.337 62.622 63.200 -0.401 0.000 1.235 760 S HN 0.148 nan 8.310 nan 0.000 0.425 761 F N 2.354 122.050 119.950 -0.423 0.000 2.171 761 F HA -0.039 4.487 4.527 -0.001 0.000 0.300 761 F C 2.624 178.216 175.800 -0.347 0.000 1.090 761 F CA 1.767 59.468 58.000 -0.499 0.000 1.293 761 F CB -0.407 37.984 39.000 -1.015 0.000 1.013 761 F HN 0.492 nan 8.300 nan 0.000 0.486 762 T N -0.835 113.657 114.554 -0.103 0.000 2.737 762 T HA -0.150 4.199 4.350 -0.001 0.000 0.265 762 T C 1.876 176.518 174.700 -0.097 0.000 1.038 762 T CA 1.351 63.423 62.100 -0.046 0.000 1.144 762 T CB -0.167 68.713 68.868 0.020 0.000 0.866 762 T HN 0.118 nan 8.240 nan 0.000 0.434 763 E N 1.137 121.230 120.200 -0.178 0.000 2.077 763 E HA -0.012 4.338 4.350 -0.001 0.000 0.193 763 E C 2.329 178.845 176.600 -0.139 0.000 0.989 763 E CA 0.699 56.984 56.400 -0.192 0.000 0.800 763 E CB -0.438 29.092 29.700 -0.282 0.000 0.746 763 E HN 0.470 nan 8.360 nan 0.000 0.452 764 L N 0.374 121.531 121.223 -0.109 0.000 2.083 764 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 764 L C 2.549 179.354 176.870 -0.108 0.000 1.083 764 L CA 1.120 55.914 54.840 -0.077 0.000 0.752 764 L CB -0.568 41.468 42.059 -0.038 0.000 0.899 764 L HN 0.060 nan 8.230 nan 0.000 0.433 765 A N 0.314 123.106 122.820 -0.046 0.000 1.877 765 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 765 A C 2.392 179.918 177.584 -0.096 0.000 1.186 765 A CA 1.544 53.584 52.037 0.004 0.000 0.620 765 A CB -0.457 18.585 19.000 0.071 0.000 0.822 765 A HN 0.330 nan 8.150 nan 0.000 0.443 766 R N -0.487 119.957 120.500 -0.094 0.000 2.081 766 R HA -0.127 4.212 4.340 -0.001 0.000 0.235 766 R C 2.049 178.256 176.300 -0.156 0.000 1.131 766 R CA 1.329 57.371 56.100 -0.097 0.000 0.960 766 R CB -0.484 29.763 30.300 -0.089 0.000 0.856 766 R HN 0.694 nan 8.270 nan 0.000 0.436 767 D N 0.128 120.418 120.400 -0.185 0.000 2.149 767 D HA -0.134 4.506 4.640 -0.001 0.000 0.198 767 D C 1.763 177.867 176.300 -0.327 0.000 0.990 767 D CA 1.539 55.419 54.000 -0.201 0.000 0.839 767 D CB -0.044 40.660 40.800 -0.160 0.000 0.948 767 D HN 0.323 nan 8.370 nan 0.000 0.460 768 G N 0.241 108.672 108.800 -0.614 0.000 2.394 768 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.214 768 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.214 768 G C 1.692 176.105 174.900 -0.812 0.000 1.176 768 G CA 0.538 44.830 45.100 -1.346 0.000 0.786 768 G HN 0.354 nan 8.290 nan 0.000 0.533 769 Q N 0.327 119.896 119.800 -0.386 0.000 2.084 769 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 769 Q C 2.178 178.177 176.000 -0.001 0.000 0.978 769 Q CA 1.418 57.221 55.803 -0.001 0.000 0.844 769 Q CB -0.116 28.653 28.738 0.053 0.000 0.898 769 Q HN 0.325 nan 8.270 nan 0.000 0.426 770 D N 0.060 120.428 120.400 -0.054 0.000 2.117 770 D HA -0.135 4.504 4.640 -0.001 0.000 0.197 770 D C 1.879 178.207 176.300 0.046 0.000 0.987 770 D CA 0.894 54.894 54.000 -0.001 0.000 0.829 770 D CB -0.344 40.429 40.800 -0.044 0.000 0.961 770 D HN 0.264 nan 8.370 nan 0.000 0.460 771 C N 0.560 119.849 119.300 -0.017 0.000 2.466 771 C HA -0.042 4.417 4.460 -0.001 0.000 0.278 771 C C 2.625 177.712 174.990 0.161 0.000 1.288 771 C CA 0.266 59.312 59.018 0.046 0.000 1.722 771 C CB -0.614 27.106 27.740 -0.033 0.000 2.017 771 C HN 0.423 nan 8.230 nan 0.000 0.488 772 E N 0.891 121.168 120.200 0.128 0.000 2.085 772 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 772 E C 2.413 179.114 176.600 0.168 0.000 0.994 772 E CA 1.148 57.654 56.400 0.177 0.000 0.801 772 E CB -0.248 29.591 29.700 0.232 0.000 0.743 772 E HN 0.532 nan 8.360 nan 0.000 0.453 773 R N -0.393 120.201 120.500 0.157 0.000 2.083 773 R HA -0.205 4.135 4.340 -0.001 0.000 0.237 773 R C 2.157 178.576 176.300 0.199 0.000 1.137 773 R CA 1.997 58.184 56.100 0.145 0.000 0.951 773 R CB -0.619 29.757 30.300 0.127 0.000 0.851 773 R HN 0.364 nan 8.270 nan 0.000 0.434 774 W N 1.941 123.294 121.300 0.088 0.000 2.358 774 W HA -0.128 4.532 4.660 -0.001 0.000 0.303 774 W C 1.746 178.397 176.519 0.221 0.000 1.208 774 W CA 1.529 58.982 57.345 0.180 0.000 1.274 774 W CB -0.188 29.319 29.460 0.079 0.000 1.138 774 W HN 0.176 nan 8.180 nan 0.000 0.515 775 N N 0.492 119.441 118.700 0.415 0.000 2.120 775 N HA -0.246 4.494 4.740 -0.001 0.000 0.188 775 N C 1.805 177.346 175.510 0.052 0.000 1.024 775 N CA 2.318 55.517 53.050 0.247 0.000 0.852 775 N CB -1.143 37.485 38.487 0.234 0.000 1.003 775 N HN 0.463 nan 8.380 nan 0.000 0.424 776 M N -0.168 119.458 119.600 0.045 0.000 2.175 776 M HA -0.003 4.477 4.480 -0.001 0.000 0.264 776 M C 1.426 177.658 176.300 -0.114 0.000 1.063 776 M CA 1.452 56.741 55.300 -0.019 0.000 1.119 776 M CB -0.227 32.376 32.600 0.004 0.000 1.377 776 M HN -0.059 nan 8.290 nan 0.000 0.415 777 L N -0.466 120.652 121.223 -0.175 0.000 2.552 777 L HA 0.006 4.345 4.340 -0.001 0.000 0.227 777 L C 0.198 176.606 176.870 -0.770 0.000 1.146 777 L CA 0.416 55.025 54.840 -0.385 0.000 0.858 777 L CB -0.566 41.273 42.059 -0.366 0.000 0.969 777 L HN 0.466 nan 8.230 nan 0.000 0.451 778 H N -1.054 117.747 119.070 -0.448 0.000 2.439 778 H HA 0.150 4.705 4.556 -0.001 0.000 0.230 778 H C -1.556 173.584 175.328 -0.313 0.000 1.420 778 H CA -1.379 54.347 56.048 -0.536 0.000 1.305 778 H CB 0.341 29.404 29.762 -1.166 0.000 1.667 778 H HN -0.072 nan 8.280 nan 0.000 0.515 779 P HA -0.189 nan 4.420 nan 0.000 0.218 779 P C 0.594 177.870 177.300 -0.041 0.000 1.146 779 P CA 0.978 64.032 63.100 -0.077 0.000 0.820 779 P CB 0.539 32.191 31.700 -0.081 0.000 0.778 780 L N -1.085 120.111 121.223 -0.044 0.000 2.653 780 L HA 0.250 4.589 4.340 -0.001 0.000 0.231 780 L C 0.960 177.840 176.870 0.016 0.000 1.153 780 L CA 0.464 55.298 54.840 -0.011 0.000 0.933 780 L CB -0.852 41.200 42.059 -0.012 0.000 1.175 780 L HN -0.118 nan 8.230 nan 0.000 0.473 781 E N -0.570 119.642 120.200 0.020 0.000 2.235 781 E HA 0.384 4.734 4.350 -0.001 0.000 0.265 781 E C -0.262 176.419 176.600 0.135 0.000 0.940 781 E CA -0.408 56.046 56.400 0.089 0.000 0.819 781 E CB 1.309 31.066 29.700 0.096 0.000 1.206 781 E HN -0.132 nan 8.360 nan 0.000 0.409 782 T N 3.543 118.194 114.554 0.161 0.000 2.817 782 T HA 0.177 4.526 4.350 -0.001 0.000 0.295 782 T C -2.239 172.585 174.700 0.206 0.000 0.958 782 T CA -0.895 61.289 62.100 0.139 0.000 1.157 782 T CB 0.064 68.991 68.868 0.099 0.000 0.898 782 T HN 0.054 nan 8.240 nan 0.000 0.536 783 P HA 0.023 nan 4.420 nan 0.000 0.257 783 P C 0.179 177.572 177.300 0.155 0.000 1.162 783 P CA 0.267 63.481 63.100 0.191 0.000 0.762 783 P CB 0.384 32.156 31.700 0.120 0.000 0.753 784 R N 1.869 122.476 120.500 0.177 0.000 2.539 784 R HA 0.346 4.686 4.340 -0.001 0.000 0.275 784 R C -0.458 175.856 176.300 0.022 0.000 1.077 784 R CA -0.714 55.392 56.100 0.010 0.000 1.097 784 R CB 0.654 30.844 30.300 -0.182 0.000 1.018 784 R HN 0.233 nan 8.270 nan 0.000 0.483 785 V N 4.479 124.385 119.914 -0.013 0.000 2.394 785 V HA 0.244 4.363 4.120 -0.001 0.000 0.282 785 V C -2.056 174.026 176.094 -0.021 0.000 1.031 785 V CA -2.236 60.062 62.300 -0.003 0.000 0.881 785 V CB 1.331 33.150 31.823 -0.007 0.000 0.982 785 V HN 0.674 nan 8.190 nan 0.000 0.451 786 P HA 0.074 nan 4.420 nan 0.000 0.268 786 P C 0.352 177.652 177.300 0.001 0.000 1.205 786 P CA -0.068 62.997 63.100 -0.058 0.000 0.771 786 P CB 0.476 32.089 31.700 -0.145 0.000 0.858 787 Y N 3.322 123.557 120.300 -0.108 0.000 2.102 787 Y HA -0.255 4.295 4.550 -0.001 0.000 0.280 787 Y C 2.039 177.896 175.900 -0.072 0.000 1.178 787 Y CA 1.618 59.672 58.100 -0.077 0.000 1.146 787 Y CB -0.597 37.821 38.460 -0.070 0.000 0.968 787 Y HN 0.327 nan 8.280 nan 0.000 0.504 788 I N -0.293 120.278 120.570 0.000 0.000 2.264 788 I HA -0.314 3.855 4.170 -0.001 0.000 0.248 788 I C 2.295 178.301 176.117 -0.185 0.000 1.111 788 I CA 1.651 62.878 61.300 -0.121 0.000 1.382 788 I CB -0.396 37.563 38.000 -0.069 0.000 1.060 788 I HN 0.327 nan 8.210 nan 0.000 0.418 789 A N -0.292 122.460 122.820 -0.113 0.000 2.067 789 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 789 A C 2.164 179.676 177.584 -0.120 0.000 1.158 789 A CA 1.286 53.264 52.037 -0.098 0.000 0.661 789 A CB -0.427 18.553 19.000 -0.033 0.000 0.801 789 A HN 0.612 nan 8.150 nan 0.000 0.452 790 Q N -0.714 118.988 119.800 -0.163 0.000 2.137 790 Q HA -0.049 4.290 4.340 -0.001 0.000 0.198 790 Q C 2.074 177.953 176.000 -0.201 0.000 0.960 790 Q CA 1.342 57.045 55.803 -0.167 0.000 0.847 790 Q CB -0.181 28.444 28.738 -0.189 0.000 0.915 790 Q HN 0.483 nan 8.270 nan 0.000 0.448 791 V N 0.898 120.623 119.914 -0.314 0.000 2.358 791 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 791 V C 1.446 177.491 176.094 -0.082 0.000 1.047 791 V CA 1.320 63.485 62.300 -0.225 0.000 1.035 791 V CB -0.254 31.386 31.823 -0.305 0.000 0.658 791 V HN 0.305 nan 8.190 nan 0.000 0.452 792 M N 0.235 119.715 119.600 -0.200 0.000 2.336 792 M HA 0.341 4.820 4.480 -0.001 0.000 0.256 792 M C 0.193 176.463 176.300 -0.051 0.000 1.176 792 M CA -0.198 54.992 55.300 -0.183 0.000 0.948 792 M CB 0.580 32.961 32.600 -0.366 0.000 1.393 792 M HN 0.408 nan 8.290 nan 0.000 0.528 793 N N -1.009 117.687 118.700 -0.007 0.000 3.201 793 N HA 0.316 5.056 4.740 -0.001 0.000 0.344 793 N C -0.562 174.945 175.510 -0.005 0.000 1.465 793 N CA -0.707 52.347 53.050 0.007 0.000 0.731 793 N CB 0.215 38.727 38.487 0.043 0.000 1.677 793 N HN 0.609 nan 8.380 nan 0.000 0.631 794 D N -1.233 119.171 120.400 0.006 0.000 2.349 794 D HA 0.143 4.782 4.640 -0.001 0.000 0.215 794 D C 0.215 176.527 176.300 0.020 0.000 1.016 794 D CA -0.272 53.731 54.000 0.005 0.000 0.870 794 D CB -0.620 40.184 40.800 0.006 0.000 0.917 794 D HN 0.683 nan 8.370 nan 0.000 0.524 795 A N 2.164 125.004 122.820 0.034 0.000 2.531 795 A HA 0.298 4.618 4.320 -0.001 0.000 0.236 795 A C -2.014 175.602 177.584 0.053 0.000 1.062 795 A CA -0.941 51.123 52.037 0.045 0.000 0.760 795 A CB -0.319 18.716 19.000 0.058 0.000 0.995 795 A HN 0.119 nan 8.150 nan 0.000 0.501 796 P HA 0.157 nan 4.420 nan 0.000 0.258 796 P C -0.322 177.028 177.300 0.083 0.000 1.187 796 P CA 0.734 63.870 63.100 0.060 0.000 0.767 796 P CB 0.295 32.019 31.700 0.041 0.000 0.770 797 A N 4.137 127.032 122.820 0.125 0.000 2.306 797 A HA 0.651 4.970 4.320 -0.001 0.000 0.330 797 A C -0.551 177.126 177.584 0.156 0.000 1.146 797 A CA -0.639 51.502 52.037 0.174 0.000 0.827 797 A CB 1.284 20.423 19.000 0.232 0.000 1.178 797 A HN 0.363 nan 8.150 nan 0.000 0.490 798 V N 0.788 120.777 119.914 0.125 0.000 2.577 798 V HA 0.696 4.815 4.120 -0.001 0.000 0.303 798 V C 0.048 176.187 176.094 0.075 0.000 1.042 798 V CA -0.203 62.119 62.300 0.036 0.000 0.872 798 V CB 1.478 33.313 31.823 0.020 0.000 0.998 798 V HN 1.323 nan 8.190 nan 0.000 0.423 799 A N 3.207 126.022 122.820 -0.009 0.000 2.355 799 A HA 0.915 5.235 4.320 -0.001 0.000 0.317 799 A C -0.452 177.143 177.584 0.018 0.000 1.094 799 A CA -0.549 51.541 52.037 0.089 0.000 0.764 799 A CB 1.952 21.073 19.000 0.200 0.000 1.230 799 A HN 0.797 nan 8.150 nan 0.000 0.448 800 S N 0.686 116.440 115.700 0.089 0.000 2.547 800 S HA 0.851 5.320 4.470 -0.001 0.000 0.281 800 S C -0.323 174.350 174.600 0.121 0.000 1.118 800 S CA 0.265 58.498 58.200 0.054 0.000 0.947 800 S CB 1.382 64.604 63.200 0.037 0.000 1.053 800 S HN 1.753 nan 8.310 nan 0.000 0.482 801 T N 0.432 115.054 114.554 0.114 0.000 2.812 801 T HA 0.487 4.836 4.350 -0.001 0.000 0.294 801 T C -0.504 174.253 174.700 0.094 0.000 1.159 801 T CA -0.537 61.689 62.100 0.210 0.000 1.008 801 T CB 1.518 70.657 68.868 0.452 0.000 1.289 801 T HN 0.331 nan 8.240 nan 0.000 0.514 802 D N -0.308 120.141 120.400 0.083 0.000 2.370 802 D HA 0.258 4.897 4.640 -0.001 0.000 0.230 802 D C -0.993 174.996 176.300 -0.519 0.000 1.143 802 D CA 0.007 53.883 54.000 -0.207 0.000 0.834 802 D CB -0.411 40.245 40.800 -0.240 0.000 0.944 802 D HN 0.440 nan 8.370 nan 0.000 0.504 803 Y N -0.151 120.077 120.300 -0.119 0.000 2.570 803 Y HA 0.300 4.849 4.550 -0.001 0.000 0.345 803 Y C 0.784 176.630 175.900 -0.090 0.000 1.014 803 Y CA -1.510 56.494 58.100 -0.160 0.000 1.063 803 Y CB 0.975 39.223 38.460 -0.353 0.000 1.272 803 Y HN -0.154 nan 8.280 nan 0.000 0.477 804 M N 0.664 120.290 119.600 0.042 0.000 2.235 804 M HA 0.070 4.550 4.480 -0.001 0.000 0.316 804 M C 0.445 176.770 176.300 0.042 0.000 1.035 804 M CA 0.379 55.685 55.300 0.011 0.000 1.084 804 M CB 0.472 33.072 32.600 0.000 0.000 1.529 804 M HN 0.739 nan 8.290 nan 0.000 0.440 805 K N 0.636 121.027 120.400 -0.015 0.000 2.218 805 K HA -0.178 4.141 4.320 -0.001 0.000 0.205 805 K C 1.717 178.282 176.600 -0.058 0.000 1.046 805 K CA 1.300 57.556 56.287 -0.053 0.000 0.933 805 K CB -0.503 31.949 32.500 -0.080 0.000 0.728 805 K HN 0.593 nan 8.250 nan 0.000 0.454 806 L N 0.668 121.883 121.223 -0.012 0.000 2.191 806 L HA -0.125 4.214 4.340 -0.001 0.000 0.212 806 L C 1.852 178.724 176.870 0.003 0.000 1.103 806 L CA 1.380 56.215 54.840 -0.008 0.000 0.769 806 L CB -0.607 41.464 42.059 0.020 0.000 0.908 806 L HN 0.071 nan 8.230 nan 0.000 0.438 807 F N 0.513 120.373 119.950 -0.150 0.000 2.091 807 F HA -0.231 4.296 4.527 -0.001 0.000 0.299 807 F C 2.244 177.731 175.800 -0.521 0.000 1.103 807 F CA 1.755 59.626 58.000 -0.216 0.000 1.228 807 F CB -0.704 38.212 39.000 -0.141 0.000 0.984 807 F HN 0.152 nan 8.300 nan 0.000 0.477 808 A N -1.091 121.213 122.820 -0.860 0.000 2.132 808 A HA 0.033 4.353 4.320 -0.001 0.000 0.213 808 A C 2.052 179.298 177.584 -0.564 0.000 1.154 808 A CA 0.698 51.750 52.037 -1.642 0.000 0.753 808 A CB -0.607 17.576 19.000 -1.363 0.000 0.826 808 A HN 0.468 nan 8.150 nan 0.000 0.469 809 E N 0.280 120.314 120.200 -0.277 0.000 2.208 809 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 809 E C 2.071 178.664 176.600 -0.013 0.000 0.988 809 E CA 1.009 57.378 56.400 -0.053 0.000 0.828 809 E CB -0.100 29.554 29.700 -0.077 0.000 0.763 809 E HN 0.905 nan 8.360 nan 0.000 0.478 810 Q N 0.214 119.977 119.800 -0.061 0.000 2.297 810 Q HA -0.134 4.205 4.340 -0.001 0.000 0.208 810 Q C 1.859 177.897 176.000 0.062 0.000 0.981 810 Q CA 1.626 57.429 55.803 0.000 0.000 0.876 810 Q CB -0.373 28.370 28.738 0.009 0.000 0.921 810 Q HN 0.302 nan 8.270 nan 0.000 0.446 811 V N -2.671 117.288 119.914 0.074 0.000 3.621 811 V HA 0.202 4.322 4.120 -0.001 0.000 0.285 811 V C 2.054 178.094 176.094 -0.089 0.000 1.346 811 V CA 0.389 62.793 62.300 0.174 0.000 1.104 811 V CB -0.234 31.723 31.823 0.223 0.000 0.913 811 V HN 0.147 nan 8.190 nan 0.000 0.432 812 R N 2.095 122.532 120.500 -0.105 0.000 2.136 812 R HA -0.203 4.136 4.340 -0.001 0.000 0.242 812 R C 2.101 178.206 176.300 -0.325 0.000 1.131 812 R CA 2.940 58.953 56.100 -0.146 0.000 0.937 812 R CB -1.502 28.817 30.300 0.032 0.000 0.863 812 R HN 0.512 nan 8.270 nan 0.000 0.435 813 T N -0.201 114.042 114.554 -0.518 0.000 2.848 813 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 813 T C 0.762 175.079 174.700 -0.638 0.000 1.081 813 T CA 1.749 63.453 62.100 -0.660 0.000 1.125 813 T CB -0.316 68.000 68.868 -0.920 0.000 0.848 813 T HN 0.390 nan 8.240 nan 0.000 0.503 814 Y N -0.323 119.918 120.300 -0.097 0.000 2.481 814 Y HA 0.385 4.934 4.550 -0.001 0.000 0.258 814 Y C 0.961 176.760 175.900 -0.168 0.000 1.103 814 Y CA -1.172 56.865 58.100 -0.106 0.000 1.287 814 Y CB -0.253 38.156 38.460 -0.085 0.000 1.108 814 Y HN -0.069 nan 8.280 nan 0.000 0.529 815 V N 5.724 125.523 119.914 -0.191 0.000 2.470 815 V HA 0.071 4.190 4.120 -0.001 0.000 0.276 815 V C -1.559 174.430 176.094 -0.176 0.000 1.040 815 V CA -1.241 60.884 62.300 -0.293 0.000 1.008 815 V CB 0.901 32.314 31.823 -0.683 0.000 0.990 815 V HN 0.112 nan 8.190 nan 0.000 0.477 816 P HA 0.274 nan 4.420 nan 0.000 0.235 816 P C -0.305 176.965 177.300 -0.049 0.000 1.725 816 P CA 0.163 63.224 63.100 -0.066 0.000 0.894 816 P CB 0.386 32.055 31.700 -0.051 0.000 1.704 817 A N 0.199 122.989 122.820 -0.050 0.000 2.371 817 A HA 0.452 4.772 4.320 -0.001 0.000 0.311 817 A C 0.706 178.296 177.584 0.010 0.000 1.068 817 A CA -0.515 51.517 52.037 -0.008 0.000 0.744 817 A CB 1.071 20.081 19.000 0.016 0.000 1.239 817 A HN -0.149 nan 8.150 nan 0.000 0.435 818 D N 0.444 120.853 120.400 0.016 0.000 2.149 818 D HA -0.077 4.563 4.640 -0.001 0.000 0.198 818 D C -0.005 176.319 176.300 0.039 0.000 0.990 818 D CA 1.635 55.646 54.000 0.018 0.000 0.839 818 D CB 0.264 41.073 40.800 0.014 0.000 0.948 818 D HN 0.581 nan 8.370 nan 0.000 0.460 819 D N -0.849 119.582 120.400 0.052 0.000 2.280 819 D HA 0.122 4.761 4.640 -0.001 0.000 0.236 819 D C -1.294 175.091 176.300 0.142 0.000 1.082 819 D CA -0.423 53.618 54.000 0.069 0.000 0.834 819 D CB 0.861 41.687 40.800 0.043 0.000 1.100 819 D HN -0.058 nan 8.370 nan 0.000 0.486 820 Y N 4.036 124.323 120.300 -0.022 0.000 2.344 820 Y HA 0.276 4.825 4.550 -0.001 0.000 0.328 820 Y C -1.211 174.672 175.900 -0.027 0.000 1.067 820 Y CA -0.912 57.174 58.100 -0.023 0.000 1.247 820 Y CB 0.722 39.161 38.460 -0.034 0.000 1.113 820 Y HN 0.300 nan 8.280 nan 0.000 0.465 821 R N 5.201 125.543 120.500 -0.264 0.000 2.338 821 R HA 0.758 5.097 4.340 -0.001 0.000 0.317 821 R C -1.743 174.302 176.300 -0.426 0.000 0.968 821 R CA -0.652 55.277 56.100 -0.284 0.000 0.849 821 R CB 1.251 31.472 30.300 -0.132 0.000 1.128 821 R HN 0.487 nan 8.270 nan 0.000 0.448 822 V N 6.421 126.087 119.914 -0.413 0.000 2.435 822 V HA 0.390 4.509 4.120 -0.001 0.000 0.290 822 V C 0.065 176.037 176.094 -0.203 0.000 1.030 822 V CA -0.714 61.362 62.300 -0.373 0.000 0.881 822 V CB 1.597 33.165 31.823 -0.425 0.000 0.983 822 V HN 0.652 nan 8.190 nan 0.000 0.445 823 L N 3.990 125.122 121.223 -0.151 0.000 2.331 823 L HA 0.997 5.336 4.340 -0.001 0.000 0.275 823 L C 0.538 177.357 176.870 -0.087 0.000 1.022 823 L CA -0.251 54.525 54.840 -0.106 0.000 0.812 823 L CB 1.950 43.964 42.059 -0.076 0.000 1.257 823 L HN 0.823 nan 8.230 nan 0.000 0.435 824 G N -0.722 108.028 108.800 -0.084 0.000 2.523 824 G HA2 0.354 4.314 3.960 -0.001 0.000 0.291 824 G HA3 0.354 4.314 3.960 -0.001 0.000 0.291 824 G C -0.387 174.471 174.900 -0.071 0.000 1.450 824 G CA -0.170 44.893 45.100 -0.062 0.000 0.790 824 G HN 0.502 nan 8.290 nan 0.000 0.496 825 T N -1.188 113.286 114.554 -0.134 0.000 3.327 825 T HA 0.304 4.654 4.350 -0.001 0.000 0.241 825 T C -0.218 174.404 174.700 -0.129 0.000 0.907 825 T CA -0.266 61.678 62.100 -0.260 0.000 0.931 825 T CB -0.597 67.836 68.868 -0.725 0.000 1.112 825 T HN 0.307 nan 8.240 nan 0.000 0.589 826 D N 1.747 122.146 120.400 -0.001 0.000 2.487 826 D HA 0.466 5.105 4.640 -0.001 0.000 0.243 826 D C 0.945 177.310 176.300 0.108 0.000 1.154 826 D CA 1.470 55.470 54.000 -0.000 0.000 0.876 826 D CB 0.103 40.892 40.800 -0.019 0.000 1.161 826 D HN 0.771 nan 8.370 nan 0.000 0.478 827 G N 0.807 109.622 108.800 0.025 0.000 2.375 827 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.663 827 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.663 827 G C -0.976 174.012 174.900 0.147 0.000 1.391 827 G CA -1.248 43.921 45.100 0.115 0.000 0.949 827 G HN 0.239 nan 8.290 nan 0.000 0.646 828 F N 1.310 121.380 119.950 0.199 0.000 2.529 828 F HA 0.482 5.009 4.527 -0.001 0.000 0.365 828 F C 1.650 177.622 175.800 0.287 0.000 1.102 828 F CA 1.348 59.451 58.000 0.171 0.000 1.271 828 F CB 1.023 40.081 39.000 0.096 0.000 1.120 828 F HN 0.713 nan 8.300 nan 0.000 0.579 829 G N 3.039 112.111 108.800 0.453 0.000 2.599 829 G HA2 0.583 4.542 3.960 -0.001 0.000 0.264 829 G HA3 0.583 4.542 3.960 -0.001 0.000 0.264 829 G C -0.698 174.355 174.900 0.256 0.000 1.200 829 G CA -0.753 44.588 45.100 0.402 0.000 0.896 829 G HN 0.757 nan 8.290 nan 0.000 0.536 830 R N -1.457 119.146 120.500 0.172 0.000 2.716 830 R HA 0.450 4.789 4.340 -0.001 0.000 0.271 830 R C -1.321 175.004 176.300 0.043 0.000 1.028 830 R CA -0.835 55.298 56.100 0.055 0.000 0.883 830 R CB 0.727 30.993 30.300 -0.056 0.000 1.250 830 R HN 0.359 nan 8.270 nan 0.000 0.465 831 S N 0.912 116.621 115.700 0.016 0.000 2.448 831 S HA 0.340 4.809 4.470 -0.001 0.000 0.279 831 S C -0.679 173.922 174.600 0.002 0.000 1.195 831 S CA -0.210 57.999 58.200 0.014 0.000 1.051 831 S CB 0.333 63.538 63.200 0.007 0.000 0.948 831 S HN 0.537 nan 8.310 nan 0.000 0.493 832 D N 0.361 120.772 120.400 0.018 0.000 2.865 832 D HA 0.216 4.855 4.640 -0.001 0.000 0.343 832 D C -0.772 175.551 176.300 0.039 0.000 1.372 832 D CA -0.369 53.642 54.000 0.018 0.000 0.862 832 D CB 1.297 42.099 40.800 0.003 0.000 1.425 832 D HN 0.503 nan 8.370 nan 0.000 0.501 833 S N -0.206 115.521 115.700 0.046 0.000 2.601 833 S HA 0.341 4.811 4.470 -0.001 0.000 0.271 833 S C 1.367 176.014 174.600 0.079 0.000 1.305 833 S CA -0.450 57.784 58.200 0.057 0.000 1.022 833 S CB 1.667 64.900 63.200 0.054 0.000 0.940 833 S HN 0.461 nan 8.310 nan 0.000 0.525 834 R N 1.089 121.639 120.500 0.083 0.000 2.113 834 R HA -0.192 4.148 4.340 -0.001 0.000 0.244 834 R C 2.235 178.603 176.300 0.114 0.000 1.142 834 R CA 2.050 58.207 56.100 0.096 0.000 0.953 834 R CB -0.671 29.692 30.300 0.106 0.000 0.860 834 R HN 0.897 nan 8.270 nan 0.000 0.438 835 E N 0.582 120.853 120.200 0.119 0.000 2.031 835 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 835 E C 1.764 178.453 176.600 0.150 0.000 0.994 835 E CA 1.152 57.634 56.400 0.136 0.000 0.800 835 E CB 0.046 29.813 29.700 0.111 0.000 0.752 835 E HN 0.246 nan 8.360 nan 0.000 0.447 836 N N 0.514 119.286 118.700 0.120 0.000 2.120 836 N HA -0.149 4.590 4.740 -0.001 0.000 0.188 836 N C 2.001 177.622 175.510 0.184 0.000 1.024 836 N CA 0.864 53.993 53.050 0.132 0.000 0.852 836 N CB -0.292 38.242 38.487 0.077 0.000 1.003 836 N HN 0.210 nan 8.380 nan 0.000 0.424 837 L N 0.567 121.892 121.223 0.171 0.000 2.046 837 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 837 L C 2.202 179.283 176.870 0.352 0.000 1.077 837 L CA 1.021 56.018 54.840 0.261 0.000 0.747 837 L CB -0.231 41.998 42.059 0.283 0.000 0.896 837 L HN 0.092 nan 8.230 nan 0.000 0.432 838 R N -1.476 119.161 120.500 0.228 0.000 2.237 838 R HA -0.159 4.180 4.340 -0.001 0.000 0.219 838 R C 1.984 178.389 176.300 0.175 0.000 1.080 838 R CA 0.783 56.973 56.100 0.151 0.000 0.995 838 R CB -0.231 30.086 30.300 0.029 0.000 0.875 838 R HN 0.380 nan 8.270 nan 0.000 0.462 839 H N -1.129 118.024 119.070 0.139 0.000 2.451 839 H HA -0.016 4.540 4.556 -0.001 0.000 0.294 839 H C 1.939 177.308 175.328 0.069 0.000 1.028 839 H CA 1.273 57.429 56.048 0.181 0.000 1.349 839 H CB 0.186 30.069 29.762 0.202 0.000 1.444 839 H HN 0.239 nan 8.280 nan 0.000 0.538 840 H N -0.845 118.244 119.070 0.032 0.000 2.353 840 H HA -0.112 4.443 4.556 -0.001 0.000 0.300 840 H C 0.988 176.105 175.328 -0.351 0.000 1.090 840 H CA 2.045 57.981 56.048 -0.186 0.000 1.327 840 H CB -0.315 29.264 29.762 -0.306 0.000 1.383 840 H HN 0.309 nan 8.280 nan 0.000 0.508 841 F N 0.785 120.638 119.950 -0.162 0.000 2.811 841 F HA 0.131 4.657 4.527 -0.001 0.000 0.301 841 F C 0.453 175.994 175.800 -0.432 0.000 1.151 841 F CA 0.780 58.629 58.000 -0.251 0.000 1.412 841 F CB -0.045 38.909 39.000 -0.077 0.000 1.113 841 F HN 0.206 nan 8.300 nan 0.000 0.579 842 E N -0.778 119.082 120.200 -0.568 0.000 2.416 842 E HA -0.180 4.169 4.350 -0.001 0.000 0.249 842 E C 0.674 176.869 176.600 -0.675 0.000 1.124 842 E CA 0.471 56.095 56.400 -1.292 0.000 0.732 842 E CB -1.623 27.398 29.700 -1.131 0.000 1.286 842 E HN 0.391 nan 8.360 nan 0.000 0.394 843 V N -3.206 116.529 119.914 -0.299 0.000 3.548 843 V HA 0.101 4.221 4.120 -0.001 0.000 0.279 843 V C 0.734 176.818 176.094 -0.016 0.000 1.446 843 V CA 0.427 62.660 62.300 -0.112 0.000 1.023 843 V CB 0.050 31.817 31.823 -0.094 0.000 0.820 843 V HN 0.279 nan 8.190 nan 0.000 0.438 844 D N 1.441 121.872 120.400 0.051 0.000 2.393 844 D HA 0.472 5.112 4.640 -0.001 0.000 0.246 844 D C 1.678 178.070 176.300 0.154 0.000 1.275 844 D CA 0.455 54.526 54.000 0.118 0.000 0.979 844 D CB 0.976 41.902 40.800 0.210 0.000 1.101 844 D HN 0.223 nan 8.370 nan 0.000 0.505 845 A N 0.626 123.537 122.820 0.152 0.000 1.894 845 A HA -0.301 4.018 4.320 -0.001 0.000 0.220 845 A C 2.196 179.694 177.584 -0.144 0.000 1.237 845 A CA 3.687 55.743 52.037 0.033 0.000 0.660 845 A CB -1.782 17.234 19.000 0.027 0.000 0.835 845 A HN 0.789 nan 8.150 nan 0.000 0.461 846 S N -1.674 113.865 115.700 -0.267 0.000 2.402 846 S HA -0.236 4.234 4.470 -0.001 0.000 0.233 846 S C 1.777 176.086 174.600 -0.484 0.000 1.030 846 S CA 1.756 59.528 58.200 -0.712 0.000 1.003 846 S CB -0.799 62.061 63.200 -0.566 0.000 0.813 846 S HN 0.614 nan 8.310 nan 0.000 0.477 847 Y N 1.099 121.282 120.300 -0.194 0.000 2.420 847 Y HA 0.183 4.732 4.550 -0.001 0.000 0.292 847 Y C 2.595 178.422 175.900 -0.121 0.000 1.119 847 Y CA 0.379 58.395 58.100 -0.140 0.000 1.229 847 Y CB -0.195 38.192 38.460 -0.122 0.000 1.026 847 Y HN 0.130 nan 8.280 nan 0.000 0.554 848 V N -1.247 118.682 119.914 0.024 0.000 2.427 848 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 848 V C 2.063 178.125 176.094 -0.054 0.000 1.051 848 V CA 1.445 63.745 62.300 -0.000 0.000 1.048 848 V CB -0.663 31.169 31.823 0.015 0.000 0.666 848 V HN 0.194 nan 8.190 nan 0.000 0.456 849 V N -0.576 119.259 119.914 -0.132 0.000 2.270 849 V HA -0.198 3.921 4.120 -0.001 0.000 0.245 849 V C 2.428 178.434 176.094 -0.147 0.000 1.043 849 V CA 1.787 63.995 62.300 -0.153 0.000 1.014 849 V CB -0.463 31.227 31.823 -0.222 0.000 0.645 849 V HN 0.361 nan 8.190 nan 0.000 0.447 850 V N 0.414 120.240 119.914 -0.147 0.000 2.282 850 V HA -0.336 3.783 4.120 -0.001 0.000 0.249 850 V C 2.767 178.819 176.094 -0.070 0.000 1.057 850 V CA 2.357 64.601 62.300 -0.094 0.000 1.032 850 V CB -1.130 30.633 31.823 -0.101 0.000 0.645 850 V HN 0.578 nan 8.190 nan 0.000 0.447 851 A N -0.401 122.393 122.820 -0.044 0.000 1.908 851 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 851 A C 2.391 179.950 177.584 -0.042 0.000 1.181 851 A CA 2.350 54.369 52.037 -0.029 0.000 0.627 851 A CB -0.779 18.213 19.000 -0.014 0.000 0.818 851 A HN 0.631 nan 8.150 nan 0.000 0.445 852 A N -0.405 122.384 122.820 -0.052 0.000 1.898 852 A HA 0.025 4.344 4.320 -0.001 0.000 0.216 852 A C 2.162 179.706 177.584 -0.067 0.000 1.181 852 A CA 1.393 53.402 52.037 -0.046 0.000 0.620 852 A CB -0.541 18.434 19.000 -0.042 0.000 0.819 852 A HN 0.471 nan 8.150 nan 0.000 0.442 853 L N -0.683 120.470 121.223 -0.116 0.000 2.056 853 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 853 L C 2.861 179.687 176.870 -0.073 0.000 1.078 853 L CA 0.970 55.729 54.840 -0.135 0.000 0.749 853 L CB -0.992 40.928 42.059 -0.231 0.000 0.901 853 L HN 0.489 nan 8.230 nan 0.000 0.433 854 G N 0.274 109.040 108.800 -0.057 0.000 2.529 854 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.219 854 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.219 854 G C 1.364 176.250 174.900 -0.024 0.000 1.177 854 G CA 0.925 46.004 45.100 -0.034 0.000 0.773 854 G HN 0.474 nan 8.290 nan 0.000 0.573 855 E N 0.083 120.270 120.200 -0.021 0.000 2.268 855 E HA 0.022 4.372 4.350 -0.001 0.000 0.195 855 E C 2.427 179.025 176.600 -0.004 0.000 0.995 855 E CA 0.256 56.651 56.400 -0.008 0.000 0.836 855 E CB -0.113 29.587 29.700 0.000 0.000 0.763 855 E HN 0.435 nan 8.360 nan 0.000 0.491 856 L N 0.127 121.343 121.223 -0.012 0.000 2.270 856 L HA 0.024 4.363 4.340 -0.001 0.000 0.210 856 L C 2.350 179.218 176.870 -0.003 0.000 1.104 856 L CA 0.418 55.255 54.840 -0.005 0.000 0.804 856 L CB -0.223 41.829 42.059 -0.012 0.000 0.937 856 L HN 0.127 nan 8.230 nan 0.000 0.450 857 A N 0.382 123.196 122.820 -0.009 0.000 1.843 857 A HA -0.129 4.191 4.320 -0.001 0.000 0.213 857 A C 2.165 179.749 177.584 -0.001 0.000 1.239 857 A CA 1.003 53.038 52.037 -0.004 0.000 0.606 857 A CB -0.359 18.637 19.000 -0.008 0.000 0.903 857 A HN 0.086 nan 8.150 nan 0.000 0.455 858 K N 0.221 120.619 120.400 -0.003 0.000 2.117 858 K HA -0.242 4.077 4.320 -0.001 0.000 0.215 858 K C 2.090 178.692 176.600 0.002 0.000 1.053 858 K CA 2.361 58.647 56.287 -0.001 0.000 0.935 858 K CB -0.356 32.142 32.500 -0.003 0.000 0.719 858 K HN 0.526 nan 8.250 nan 0.000 0.460 859 R N -2.338 118.164 120.500 0.004 0.000 2.073 859 R HA -0.026 4.313 4.340 -0.001 0.000 0.234 859 R C 1.777 178.081 176.300 0.007 0.000 1.134 859 R CA 1.407 57.511 56.100 0.007 0.000 0.952 859 R CB -0.094 30.212 30.300 0.010 0.000 0.850 859 R HN 0.524 nan 8.270 nan 0.000 0.433 860 G N -0.210 108.594 108.800 0.007 0.000 2.705 860 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.193 860 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.193 860 G C 0.707 175.613 174.900 0.011 0.000 1.015 860 G CA 0.135 45.240 45.100 0.008 0.000 0.743 860 G HN 0.316 nan 8.290 nan 0.000 0.476 861 E N 0.366 120.574 120.200 0.012 0.000 2.108 861 E HA -0.078 4.272 4.350 -0.001 0.000 0.203 861 E C 1.504 178.116 176.600 0.019 0.000 1.022 861 E CA 1.583 57.992 56.400 0.016 0.000 0.823 861 E CB -0.135 29.575 29.700 0.017 0.000 0.744 861 E HN 0.868 nan 8.360 nan 0.000 0.456 862 I N -1.878 118.702 120.570 0.018 0.000 2.740 862 I HA 0.344 4.514 4.170 -0.001 0.000 0.303 862 I C -0.825 175.304 176.117 0.019 0.000 1.044 862 I CA -1.263 60.051 61.300 0.024 0.000 1.064 862 I CB 1.926 39.944 38.000 0.029 0.000 1.249 862 I HN -0.324 nan 8.210 nan 0.000 0.433 863 D N 4.315 124.730 120.400 0.025 0.000 2.450 863 D HA 0.046 4.686 4.640 -0.001 0.000 0.247 863 D C 0.669 176.980 176.300 0.018 0.000 1.162 863 D CA 0.206 54.219 54.000 0.021 0.000 0.879 863 D CB 1.499 42.313 40.800 0.025 0.000 1.163 863 D HN 0.573 nan 8.370 nan 0.000 0.472 864 K N 1.728 122.135 120.400 0.011 0.000 2.360 864 K HA -0.157 4.163 4.320 -0.001 0.000 0.201 864 K C 1.509 178.115 176.600 0.011 0.000 1.046 864 K CA 0.838 57.130 56.287 0.007 0.000 0.940 864 K CB 0.239 32.742 32.500 0.004 0.000 0.748 864 K HN 0.280 nan 8.250 nan 0.000 0.465 865 K N 0.704 121.114 120.400 0.017 0.000 2.288 865 K HA -0.079 4.240 4.320 -0.001 0.000 0.201 865 K C 2.110 178.730 176.600 0.033 0.000 1.048 865 K CA 1.142 57.441 56.287 0.020 0.000 0.956 865 K CB 0.007 32.519 32.500 0.020 0.000 0.746 865 K HN 0.150 nan 8.250 nan 0.000 0.461 866 V N -1.346 118.593 119.914 0.042 0.000 2.379 866 V HA -0.128 3.991 4.120 -0.001 0.000 0.245 866 V C 2.027 178.147 176.094 0.043 0.000 1.044 866 V CA 1.600 63.944 62.300 0.074 0.000 1.036 866 V CB -0.690 31.189 31.823 0.093 0.000 0.664 866 V HN 0.125 nan 8.190 nan 0.000 0.453 867 V N 0.862 120.778 119.914 0.003 0.000 2.913 867 V HA 0.076 4.195 4.120 -0.001 0.000 0.260 867 V C 2.572 178.671 176.094 0.010 0.000 1.098 867 V CA 2.022 64.314 62.300 -0.014 0.000 1.121 867 V CB -0.636 31.170 31.823 -0.028 0.000 0.714 867 V HN 0.672 nan 8.190 nan 0.000 0.487 868 A N -0.430 122.400 122.820 0.016 0.000 1.898 868 A HA -0.113 4.207 4.320 -0.001 0.000 0.214 868 A C 2.055 179.651 177.584 0.020 0.000 1.183 868 A CA 1.546 53.592 52.037 0.016 0.000 0.622 868 A CB -0.635 18.373 19.000 0.013 0.000 0.824 868 A HN 0.576 nan 8.150 nan 0.000 0.444 869 D N 0.116 120.534 120.400 0.030 0.000 2.144 869 D HA -0.040 4.600 4.640 -0.001 0.000 0.200 869 D C 2.284 178.596 176.300 0.020 0.000 0.978 869 D CA 1.298 55.311 54.000 0.022 0.000 0.833 869 D CB -0.212 40.608 40.800 0.033 0.000 0.961 869 D HN 0.375 nan 8.370 nan 0.000 0.470 870 A N 1.366 124.230 122.820 0.074 0.000 1.892 870 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 870 A C 2.365 180.035 177.584 0.144 0.000 1.188 870 A CA 1.076 53.196 52.037 0.139 0.000 0.631 870 A CB -0.802 18.296 19.000 0.163 0.000 0.822 870 A HN 0.217 nan 8.150 nan 0.000 0.447 871 I N -0.528 120.090 120.570 0.079 0.000 2.208 871 I HA -0.318 3.852 4.170 -0.001 0.000 0.245 871 I C 2.991 179.132 176.117 0.039 0.000 1.097 871 I CA 1.210 62.540 61.300 0.049 0.000 1.363 871 I CB -0.523 37.486 38.000 0.015 0.000 1.051 871 I HN 0.412 nan 8.210 nan 0.000 0.413 872 A N 0.818 123.644 122.820 0.009 0.000 1.855 872 A HA -0.252 4.068 4.320 -0.001 0.000 0.215 872 A C 2.398 179.949 177.584 -0.055 0.000 1.191 872 A CA 1.860 53.890 52.037 -0.012 0.000 0.613 872 A CB -0.618 18.371 19.000 -0.018 0.000 0.829 872 A HN 0.309 nan 8.150 nan 0.000 0.442 873 K N -1.286 119.031 120.400 -0.138 0.000 2.059 873 K HA -0.187 4.133 4.320 -0.001 0.000 0.212 873 K C 0.978 177.370 176.600 -0.346 0.000 1.050 873 K CA 1.926 58.032 56.287 -0.302 0.000 0.927 873 K CB -0.333 31.868 32.500 -0.499 0.000 0.714 873 K HN 0.390 nan 8.250 nan 0.000 0.447 874 F N 1.750 121.712 119.950 0.020 0.000 2.725 874 F HA 0.129 4.655 4.527 -0.001 0.000 0.303 874 F C 0.114 175.937 175.800 0.039 0.000 1.167 874 F CA 0.014 58.027 58.000 0.021 0.000 1.403 874 F CB -0.443 38.554 39.000 -0.005 0.000 1.077 874 F HN 0.105 nan 8.300 nan 0.000 0.537 875 N N 1.440 120.217 118.700 0.129 0.000 2.696 875 N HA -0.227 4.512 4.740 -0.001 0.000 0.256 875 N C -0.526 175.108 175.510 0.206 0.000 1.031 875 N CA 0.540 53.661 53.050 0.119 0.000 0.730 875 N CB -1.261 37.270 38.487 0.074 0.000 0.894 875 N HN 0.322 nan 8.380 nan 0.000 0.544 876 I N 0.549 121.199 120.570 0.133 0.000 2.339 876 I HA 0.088 4.257 4.170 -0.001 0.000 0.290 876 I C 0.460 176.620 176.117 0.072 0.000 0.994 876 I CA -0.663 60.681 61.300 0.073 0.000 1.191 876 I CB 1.472 39.383 38.000 -0.149 0.000 1.343 876 I HN -0.075 nan 8.210 nan 0.000 0.458 877 D N 6.133 126.600 120.400 0.112 0.000 2.402 877 D HA 0.225 4.864 4.640 -0.001 0.000 0.235 877 D C 0.912 177.250 176.300 0.063 0.000 1.226 877 D CA -0.080 53.970 54.000 0.083 0.000 0.918 877 D CB 1.432 42.290 40.800 0.097 0.000 1.043 877 D HN 0.641 nan 8.370 nan 0.000 0.506 878 A N 3.666 126.512 122.820 0.043 0.000 2.121 878 A HA -0.089 4.230 4.320 -0.001 0.000 0.218 878 A C 1.369 178.968 177.584 0.026 0.000 1.154 878 A CA 0.799 52.857 52.037 0.035 0.000 0.679 878 A CB 0.196 19.209 19.000 0.022 0.000 0.795 878 A HN 0.497 nan 8.150 nan 0.000 0.458 879 D N -0.217 120.198 120.400 0.024 0.000 2.440 879 D HA 0.074 4.713 4.640 -0.001 0.000 0.216 879 D C 0.190 176.496 176.300 0.011 0.000 1.150 879 D CA 0.012 54.021 54.000 0.015 0.000 0.832 879 D CB 0.270 41.078 40.800 0.014 0.000 0.992 879 D HN 0.709 nan 8.370 nan 0.000 0.502 880 K N 0.184 120.592 120.400 0.012 0.000 2.168 880 K HA 0.279 4.599 4.320 -0.001 0.000 0.258 880 K C 0.509 177.098 176.600 -0.019 0.000 1.010 880 K CA -0.635 55.654 56.287 0.003 0.000 0.929 880 K CB 1.582 34.087 32.500 0.010 0.000 0.998 880 K HN -0.252 nan 8.250 nan 0.000 0.479 881 V N 1.751 121.654 119.914 -0.019 0.000 3.032 881 V HA -0.093 4.026 4.120 -0.001 0.000 0.307 881 V C 0.185 176.241 176.094 -0.063 0.000 1.097 881 V CA -0.077 62.207 62.300 -0.026 0.000 1.191 881 V CB 0.498 32.317 31.823 -0.006 0.000 0.964 881 V HN 0.949 nan 8.190 nan 0.000 0.494 882 N N 5.928 124.598 118.700 -0.050 0.000 2.468 882 N HA 0.135 4.875 4.740 -0.001 0.000 0.265 882 N C -1.779 173.680 175.510 -0.085 0.000 1.199 882 N CA -1.126 51.882 53.050 -0.071 0.000 0.928 882 N CB 1.494 39.956 38.487 -0.042 0.000 1.059 882 N HN 0.439 nan 8.380 nan 0.000 0.467 883 P HA -0.151 nan 4.420 nan 0.000 0.218 883 P C 1.219 178.528 177.300 0.016 0.000 1.146 883 P CA 1.062 64.061 63.100 -0.170 0.000 0.813 883 P CB 0.180 31.711 31.700 -0.283 0.000 0.778 884 R N -0.269 120.235 120.500 0.007 0.000 2.092 884 R HA -0.101 4.239 4.340 -0.001 0.000 0.231 884 R C 1.416 177.748 176.300 0.054 0.000 1.119 884 R CA 1.267 57.379 56.100 0.019 0.000 0.970 884 R CB -0.471 29.820 30.300 -0.015 0.000 0.864 884 R HN 0.115 nan 8.270 nan 0.000 0.440 885 L N 0.349 121.599 121.223 0.045 0.000 2.307 885 L HA 0.247 4.587 4.340 -0.001 0.000 0.211 885 L C 1.491 178.416 176.870 0.091 0.000 1.099 885 L CA 0.741 55.620 54.840 0.066 0.000 0.816 885 L CB -1.536 40.543 42.059 0.033 0.000 0.952 885 L HN 0.110 nan 8.230 nan 0.000 0.455 886 A N 0.000 122.870 122.820 0.083 0.000 2.254 886 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 886 A CA 0.000 52.096 52.037 0.099 0.000 0.836 886 A CB 0.000 19.078 19.000 0.130 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486