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 2gbc_1_B DATA FIRST_RESID 38 DATA SEQUENCE RRTYTLADYL KNTFRVKSYS LRWVSDSEYL YKQENNILLF NAEHGNSSIF DATA SEQUENCE LENSTFEIFG DSISDYSVSP DRLFVLLEYN YVKQWRHSYT ASYSIYDLNK DATA SEQUENCE RQLITEEKIP NNTQWITWSQ EGHKLAYVWK NDIYVKIEPH LPSHRITSTG DATA SEQUENCE KENVIFNGIN DWVYEEEIFG AYSALWWSPN GTFLAYAQFN DTGVPLIEYS DATA SEQUENCE FYSDESLQYP KTVWIPYPKA GAVNPTVKFF IVNTDSLSST TTTIPMQITA DATA SEQUENCE PASVTTGDHY LCDVAWVSED RISLQWLRRI QNYSVMAIcD YDKTTLVWNc DATA SEQUENCE PTTQEHIETS ATGWCGRFRP AEPHFTSDGS SFYKIVSDKD GYKHIcQFQK DATA SEQUENCE DRKPEQVcTF ITKGAWEVIS IEALTSDYLY YISNEYKEMP GGRNLYKIQL DATA SEQUENCE TDHTNKKCLS CDLNPERcQY YSVSLSKEAK YYQLGcRGPG LPLYTLHRST DATA SEQUENCE DQKELRVLED NSALDKMLQD VQMPSKKLDF IVLNETRFWY QMILPPHFDK DATA SEQUENCE SKKYPLLIDV YAGPCSQKAD AAFRLNWATY LASTENIIVA SFDGRGSGYQ DATA SEQUENCE GDKIMHAINK RLGTLEVEDQ IEAARQFLKM GFVDSKRVAI WGWSYGGYVT DATA SEQUENCE SMVLGSGSGV FKcGIAVAPV SRWEYYDSVY TERYMGLPTP EDNLDHYRNS DATA SEQUENCE TVMSRAENFK QVEYLLIHGT ADDNVHFQQS AQISKALVDA GVDFQAMWYT DATA SEQUENCE DEDHGIASST AHQHIYSHMS HFLQQcFSLR 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 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.355 176.300 0.092 0.000 0.893 38 R CA 0.000 56.152 56.100 0.087 0.000 0.921 38 R CB 0.000 30.347 30.300 0.078 0.000 0.687 39 R N 0.405 120.963 120.500 0.096 0.000 2.531 39 R HA 0.817 5.158 4.340 0.000 0.000 0.273 39 R C 0.834 177.209 176.300 0.124 0.000 1.070 39 R CA 0.505 56.673 56.100 0.113 0.000 1.112 39 R CB 0.205 30.584 30.300 0.132 0.000 1.049 39 R HN 1.138 nan 8.270 nan 0.000 0.508 40 T N -2.265 112.374 114.554 0.142 0.000 2.938 40 T HA 0.483 4.833 4.350 0.000 0.000 0.285 40 T C -0.475 174.377 174.700 0.254 0.000 1.028 40 T CA -0.604 61.593 62.100 0.161 0.000 1.005 40 T CB 1.095 70.040 68.868 0.129 0.000 1.157 40 T HN 0.545 nan 8.240 nan 0.000 0.550 41 Y N 2.845 123.230 120.300 0.143 0.000 2.539 41 Y HA 0.367 4.918 4.550 0.000 0.000 0.352 41 Y C 1.021 177.103 175.900 0.302 0.000 1.004 41 Y CA -0.487 57.754 58.100 0.235 0.000 1.278 41 Y CB -0.419 38.142 38.460 0.168 0.000 1.136 41 Y HN 0.992 nan 8.280 nan 0.000 0.528 42 T N 2.077 116.650 114.554 0.033 0.000 2.824 42 T HA 0.128 4.478 4.350 0.000 0.000 0.277 42 T C 1.056 175.703 174.700 -0.088 0.000 0.975 42 T CA -0.708 61.467 62.100 0.126 0.000 0.966 42 T CB 1.098 70.000 68.868 0.056 0.000 1.054 42 T HN 0.648 nan 8.240 nan 0.000 0.533 43 L N 1.156 122.182 121.223 -0.329 0.000 2.083 43 L HA 0.138 4.478 4.340 0.000 0.000 0.209 43 L C 2.749 179.453 176.870 -0.277 0.000 1.083 43 L CA 2.237 56.648 54.840 -0.715 0.000 0.752 43 L CB -1.453 40.076 42.059 -0.882 0.000 0.899 43 L HN 0.925 nan 8.230 nan 0.000 0.433 44 A N -0.932 121.769 122.820 -0.198 0.000 1.902 44 A HA -0.223 4.097 4.320 0.000 0.000 0.217 44 A C 2.024 179.498 177.584 -0.183 0.000 1.181 44 A CA 1.821 53.767 52.037 -0.153 0.000 0.623 44 A CB -0.792 18.145 19.000 -0.104 0.000 0.818 44 A HN 0.520 nan 8.150 nan 0.000 0.443 45 D N -1.644 118.605 120.400 -0.251 0.000 2.149 45 D HA -0.180 4.460 4.640 0.000 0.000 0.198 45 D C 1.656 177.831 176.300 -0.209 0.000 0.990 45 D CA 1.748 55.553 54.000 -0.325 0.000 0.839 45 D CB -0.312 40.196 40.800 -0.487 0.000 0.948 45 D HN 0.630 nan 8.370 nan 0.000 0.460 46 Y N 1.361 121.447 120.300 -0.357 0.000 2.153 46 Y HA -0.053 4.497 4.550 0.000 0.000 0.289 46 Y C 2.265 178.140 175.900 -0.042 0.000 1.127 46 Y CA 1.093 59.155 58.100 -0.062 0.000 1.131 46 Y CB -0.629 37.830 38.460 -0.002 0.000 0.995 46 Y HN -0.137 nan 8.280 nan 0.000 0.505 47 L N 0.152 121.188 121.223 -0.312 0.000 2.083 47 L HA -0.192 4.148 4.340 0.000 0.000 0.209 47 L C 1.834 178.572 176.870 -0.219 0.000 1.083 47 L CA 1.401 56.023 54.840 -0.363 0.000 0.752 47 L CB -0.441 41.479 42.059 -0.232 0.000 0.899 47 L HN 0.093 nan 8.230 nan 0.000 0.433 48 K N -0.003 120.298 120.400 -0.165 0.000 2.387 48 K HA 0.051 4.371 4.320 0.000 0.000 0.198 48 K C 0.115 176.649 176.600 -0.110 0.000 1.022 48 K CA -0.192 56.023 56.287 -0.120 0.000 1.128 48 K CB -0.455 31.978 32.500 -0.111 0.000 0.853 48 K HN 0.156 nan 8.250 nan 0.000 0.523 49 N N 1.507 120.142 118.700 -0.109 0.000 2.650 49 N HA -0.177 4.563 4.740 0.000 0.000 0.272 49 N C 0.088 175.561 175.510 -0.063 0.000 1.058 49 N CA 0.884 53.911 53.050 -0.038 0.000 0.765 49 N CB -1.071 37.398 38.487 -0.029 0.000 0.902 49 N HN 0.087 nan 8.380 nan 0.000 0.551 50 T N 0.371 114.828 114.554 -0.163 0.000 2.896 50 T HA 0.028 4.378 4.350 0.000 0.000 0.263 50 T C 0.474 174.944 174.700 -0.383 0.000 1.050 50 T CA 1.012 62.887 62.100 -0.376 0.000 1.140 50 T CB -0.118 68.328 68.868 -0.704 0.000 0.877 50 T HN 0.412 nan 8.240 nan 0.000 0.457 51 F N 2.633 122.690 119.950 0.179 0.000 2.303 51 F HA 0.390 4.917 4.527 0.000 0.000 0.368 51 F C 0.613 176.514 175.800 0.169 0.000 1.105 51 F CA -1.275 56.837 58.000 0.186 0.000 1.153 51 F CB 0.393 39.546 39.000 0.256 0.000 1.362 51 F HN -0.142 nan 8.300 nan 0.000 0.511 52 R N 2.503 123.152 120.500 0.248 0.000 2.442 52 R HA 0.386 4.726 4.340 0.000 0.000 0.291 52 R C -1.213 175.212 176.300 0.209 0.000 1.069 52 R CA -0.240 55.972 56.100 0.187 0.000 1.022 52 R CB 0.847 31.220 30.300 0.120 0.000 0.976 52 R HN 0.420 nan 8.270 nan 0.000 0.443 53 V N 6.200 126.237 119.914 0.205 0.000 2.318 53 V HA 0.196 4.316 4.120 0.000 0.000 0.271 53 V C 0.146 176.347 176.094 0.177 0.000 1.030 53 V CA -0.557 61.875 62.300 0.219 0.000 0.844 53 V CB 1.011 33.002 31.823 0.280 0.000 1.015 53 V HN 0.810 nan 8.190 nan 0.000 0.460 54 K N 2.773 123.269 120.400 0.159 0.000 2.138 54 K HA 0.598 4.918 4.320 0.000 0.000 0.251 54 K C 0.434 177.118 176.600 0.141 0.000 1.015 54 K CA -0.137 56.227 56.287 0.128 0.000 0.917 54 K CB 1.073 33.644 32.500 0.119 0.000 1.021 54 K HN 0.829 nan 8.250 nan 0.000 0.485 55 S N -0.226 115.467 115.700 -0.013 0.000 2.776 55 S HA 0.379 4.849 4.470 0.000 0.000 0.292 55 S C -1.675 172.643 174.600 -0.469 0.000 1.187 55 S CA -0.852 57.097 58.200 -0.417 0.000 0.834 55 S CB 0.821 63.864 63.200 -0.262 0.000 1.199 55 S HN 0.617 nan 8.310 nan 0.000 0.514 56 Y N 1.140 120.812 120.300 -1.046 0.000 2.628 56 Y HA 0.521 5.071 4.550 0.000 0.000 0.354 56 Y C -0.726 174.984 175.900 -0.316 0.000 1.061 56 Y CA -0.358 57.452 58.100 -0.483 0.000 1.251 56 Y CB 1.171 39.323 38.460 -0.513 0.000 1.098 56 Y HN 0.735 nan 8.280 nan 0.000 0.626 57 S N 6.122 121.694 115.700 -0.214 0.000 2.411 57 S HA 0.413 4.883 4.470 0.000 0.000 0.304 57 S C -0.470 174.017 174.600 -0.188 0.000 1.098 57 S CA -0.588 57.521 58.200 -0.151 0.000 1.068 57 S CB -0.437 62.705 63.200 -0.096 0.000 1.032 57 S HN 0.546 nan 8.310 nan 0.000 0.511 58 L N 1.555 122.615 121.223 -0.271 0.000 2.365 58 L HA 0.743 5.083 4.340 0.000 0.000 0.267 58 L C 0.072 176.790 176.870 -0.253 0.000 1.033 58 L CA -0.805 53.804 54.840 -0.384 0.000 0.802 58 L CB 0.402 41.876 42.059 -0.977 0.000 1.267 58 L HN 0.302 nan 8.230 nan 0.000 0.457 59 R N 0.248 120.645 120.500 -0.173 0.000 2.467 59 R HA 0.291 4.631 4.340 0.000 0.000 0.299 59 R C -1.707 174.623 176.300 0.050 0.000 1.120 59 R CA -0.273 55.814 56.100 -0.022 0.000 0.940 59 R CB 0.884 31.222 30.300 0.064 0.000 1.161 59 R HN 0.659 nan 8.270 nan 0.000 0.506 60 W N 2.740 124.123 121.300 0.139 0.000 2.417 60 W HA -0.027 4.634 4.660 0.000 0.000 0.332 60 W C 1.171 177.766 176.519 0.127 0.000 1.413 60 W CA -0.284 57.163 57.345 0.169 0.000 1.299 60 W CB 0.552 30.100 29.460 0.146 0.000 1.304 60 W HN 0.371 nan 8.180 nan 0.000 0.565 61 V N 2.630 122.773 119.914 0.382 0.000 2.949 61 V HA -0.031 4.090 4.120 0.000 0.000 0.245 61 V C 0.975 177.192 176.094 0.204 0.000 1.086 61 V CA 1.472 63.895 62.300 0.205 0.000 1.097 61 V CB -0.083 31.787 31.823 0.078 0.000 0.762 61 V HN 0.605 nan 8.190 nan 0.000 0.470 62 S N -1.484 114.379 115.700 0.272 0.000 2.973 62 S HA 0.312 4.782 4.470 0.000 0.000 0.317 62 S C 0.292 175.002 174.600 0.183 0.000 1.196 62 S CA 0.115 58.430 58.200 0.191 0.000 0.894 62 S CB 1.325 64.617 63.200 0.153 0.000 1.292 62 S HN 0.054 nan 8.310 nan 0.000 0.614 63 D N 0.387 120.858 120.400 0.118 0.000 2.355 63 D HA 0.159 4.799 4.640 0.000 0.000 0.218 63 D C 1.247 177.646 176.300 0.166 0.000 1.004 63 D CA 1.220 55.252 54.000 0.054 0.000 0.880 63 D CB 0.055 40.884 40.800 0.049 0.000 0.911 63 D HN 0.514 nan 8.370 nan 0.000 0.528 64 S N -2.143 113.705 115.700 0.246 0.000 2.817 64 S HA 0.299 4.769 4.470 0.000 0.000 0.262 64 S C 0.374 175.119 174.600 0.242 0.000 1.051 64 S CA -0.690 57.677 58.200 0.278 0.000 1.185 64 S CB 0.889 64.249 63.200 0.267 0.000 1.152 64 S HN 0.033 nan 8.310 nan 0.000 0.653 65 E N 0.525 120.929 120.200 0.339 0.000 2.369 65 E HA 0.667 5.017 4.350 0.000 0.000 0.270 65 E C -1.637 175.166 176.600 0.339 0.000 0.909 65 E CA -1.069 55.454 56.400 0.204 0.000 0.775 65 E CB 2.159 31.911 29.700 0.085 0.000 1.270 65 E HN 0.423 nan 8.360 nan 0.000 0.445 66 Y N -1.087 119.258 120.300 0.076 0.000 2.655 66 Y HA 0.631 5.181 4.550 0.000 0.000 0.336 66 Y C -1.900 173.979 175.900 -0.036 0.000 1.154 66 Y CA -1.324 56.720 58.100 -0.093 0.000 1.055 66 Y CB 0.754 38.833 38.460 -0.634 0.000 1.295 66 Y HN 0.356 nan 8.280 nan 0.000 0.465 67 L N 2.388 123.778 121.223 0.279 0.000 2.325 67 L HA 0.550 4.890 4.340 0.000 0.000 0.278 67 L C -1.464 175.601 176.870 0.324 0.000 1.023 67 L CA -1.011 53.962 54.840 0.223 0.000 0.811 67 L CB 1.854 43.952 42.059 0.066 0.000 1.249 67 L HN 0.775 nan 8.230 nan 0.000 0.431 68 Y N 2.623 123.006 120.300 0.139 0.000 2.433 68 Y HA 0.298 4.848 4.550 0.000 0.000 0.337 68 Y C -0.595 175.298 175.900 -0.013 0.000 1.026 68 Y CA -1.175 56.885 58.100 -0.067 0.000 1.037 68 Y CB 1.664 39.945 38.460 -0.299 0.000 1.245 68 Y HN 0.431 nan 8.280 nan 0.000 0.443 69 K N 5.036 125.011 120.400 -0.707 0.000 2.297 69 K HA 0.277 4.597 4.320 0.000 0.000 0.286 69 K C -1.066 175.125 176.600 -0.682 0.000 1.053 69 K CA -0.244 55.721 56.287 -0.536 0.000 0.940 69 K CB 0.639 32.918 32.500 -0.369 0.000 1.019 69 K HN 0.865 nan 8.250 nan 0.000 0.475 70 Q N 4.016 123.627 119.800 -0.315 0.000 2.269 70 Q HA 0.082 4.423 4.340 0.000 0.000 0.263 70 Q C -1.165 174.768 176.000 -0.113 0.000 0.983 70 Q CA -0.216 55.500 55.803 -0.146 0.000 0.777 70 Q CB 1.130 29.923 28.738 0.091 0.000 1.273 70 Q HN 0.796 nan 8.270 nan 0.000 0.440 71 E N 2.886 123.027 120.200 -0.097 0.000 2.539 71 E HA -0.364 3.987 4.350 0.000 0.000 0.253 71 E C -0.595 175.924 176.600 -0.135 0.000 1.145 71 E CA 0.608 56.959 56.400 -0.082 0.000 0.738 71 E CB -1.115 28.557 29.700 -0.046 0.000 1.308 71 E HN 0.880 nan 8.360 nan 0.000 0.409 72 N N -0.007 118.572 118.700 -0.201 0.000 2.815 72 N HA -0.136 4.604 4.740 0.000 0.000 0.248 72 N C -1.241 174.000 175.510 -0.448 0.000 1.110 72 N CA 0.909 53.768 53.050 -0.318 0.000 0.699 72 N CB -0.875 37.486 38.487 -0.210 0.000 1.040 72 N HN 0.404 nan 8.380 nan 0.000 0.555 73 N N 0.741 119.220 118.700 -0.368 0.000 2.371 73 N HA 0.317 5.057 4.740 0.000 0.000 0.291 73 N C -0.341 175.003 175.510 -0.277 0.000 1.053 73 N CA -0.521 52.337 53.050 -0.320 0.000 0.870 73 N CB 1.431 39.818 38.487 -0.167 0.000 1.503 73 N HN -0.016 nan 8.380 nan 0.000 0.485 74 I N 3.140 123.542 120.570 -0.280 0.000 2.352 74 I HA 0.333 4.503 4.170 0.000 0.000 0.290 74 I C 0.355 176.506 176.117 0.056 0.000 1.036 74 I CA -0.211 61.004 61.300 -0.141 0.000 1.336 74 I CB 0.216 38.123 38.000 -0.155 0.000 1.407 74 I HN 0.280 nan 8.210 nan 0.000 0.497 75 L N 6.388 127.697 121.223 0.143 0.000 2.334 75 L HA 0.465 4.806 4.340 0.000 0.000 0.276 75 L C -0.445 176.561 176.870 0.226 0.000 1.014 75 L CA -1.040 53.905 54.840 0.176 0.000 0.815 75 L CB 2.261 44.449 42.059 0.216 0.000 1.268 75 L HN 0.334 nan 8.230 nan 0.000 0.428 76 L N 2.873 124.125 121.223 0.048 0.000 2.264 76 L HA 0.518 4.858 4.340 0.000 0.000 0.289 76 L C -0.976 175.783 176.870 -0.185 0.000 1.044 76 L CA 0.380 55.212 54.840 -0.012 0.000 0.807 76 L CB 0.420 42.480 42.059 0.000 0.000 1.192 76 L HN 0.180 nan 8.230 nan 0.000 0.425 77 F N 3.469 123.156 119.950 -0.440 0.000 2.470 77 F HA 0.445 4.972 4.527 0.000 0.000 0.329 77 F C 0.586 176.071 175.800 -0.525 0.000 1.072 77 F CA -0.634 57.014 58.000 -0.585 0.000 0.989 77 F CB 1.203 39.551 39.000 -1.087 0.000 1.193 77 F HN 0.523 nan 8.300 nan 0.000 0.481 78 N N 1.756 120.359 118.700 -0.161 0.000 2.501 78 N HA 0.421 5.161 4.740 0.000 0.000 0.245 78 N C -1.074 174.364 175.510 -0.121 0.000 0.974 78 N CA -0.219 52.772 53.050 -0.098 0.000 0.941 78 N CB 1.355 39.833 38.487 -0.015 0.000 1.122 78 N HN 0.727 nan 8.380 nan 0.000 0.507 79 A N 2.999 125.703 122.820 -0.194 0.000 2.492 79 A HA 0.330 4.650 4.320 0.000 0.000 0.254 79 A C 0.842 178.133 177.584 -0.488 0.000 1.091 79 A CA 0.262 52.090 52.037 -0.348 0.000 0.768 79 A CB 0.140 18.786 19.000 -0.590 0.000 1.028 79 A HN 0.946 nan 8.150 nan 0.000 0.498 80 E N 0.328 120.350 120.200 -0.295 0.000 3.394 80 E HA -0.125 4.226 4.350 0.000 0.000 0.130 80 E C -0.496 175.853 176.600 -0.418 0.000 0.702 80 E CA 0.962 57.179 56.400 -0.305 0.000 3.027 80 E CB -0.928 28.552 29.700 -0.367 0.000 1.226 80 E HN 0.833 nan 8.360 nan 0.000 0.753 81 H N 0.049 119.117 119.070 -0.003 0.000 2.539 81 H HA 0.520 5.076 4.556 0.000 0.000 0.332 81 H C 1.083 176.407 175.328 -0.006 0.000 1.031 81 H CA 0.049 56.096 56.048 -0.002 0.000 1.206 81 H CB 1.447 31.206 29.762 -0.004 0.000 1.446 81 H HN 0.423 nan 8.280 nan 0.000 0.496 82 G N 2.939 111.799 108.800 0.100 0.000 2.659 82 G HA2 -0.314 3.646 3.960 0.000 0.000 0.219 82 G HA3 -0.314 3.646 3.960 0.000 0.000 0.219 82 G C 0.933 175.871 174.900 0.063 0.000 1.105 82 G CA 0.120 45.283 45.100 0.105 0.000 0.727 82 G HN 0.557 nan 8.290 nan 0.000 0.583 83 N N 0.733 119.455 118.700 0.037 0.000 2.034 83 N HA -0.067 4.673 4.740 0.000 0.000 0.293 83 N C 0.917 176.314 175.510 -0.189 0.000 1.336 83 N CA 0.845 53.867 53.050 -0.046 0.000 0.819 83 N CB 0.395 38.885 38.487 0.004 0.000 1.071 83 N HN 0.401 nan 8.380 nan 0.000 0.495 84 S N 2.013 117.524 115.700 -0.315 0.000 2.589 84 S HA 0.784 5.254 4.470 0.000 0.000 0.272 84 S C -0.136 174.245 174.600 -0.365 0.000 1.096 84 S CA -0.149 57.685 58.200 -0.609 0.000 0.985 84 S CB 1.314 63.952 63.200 -0.937 0.000 1.278 84 S HN 0.853 nan 8.310 nan 0.000 0.528 85 S N -1.255 114.229 115.700 -0.359 0.000 2.816 85 S HA 0.200 4.670 4.470 0.000 0.000 0.282 85 S C -1.756 172.779 174.600 -0.109 0.000 0.867 85 S CA -0.841 57.255 58.200 -0.174 0.000 0.886 85 S CB -0.567 62.569 63.200 -0.107 0.000 1.115 85 S HN 0.737 nan 8.310 nan 0.000 0.485 86 I N 4.966 125.503 120.570 -0.055 0.000 2.396 86 I HA 0.267 4.437 4.170 0.000 0.000 0.289 86 I C 0.773 176.923 176.117 0.054 0.000 1.056 86 I CA -0.092 61.199 61.300 -0.015 0.000 1.365 86 I CB 0.745 38.719 38.000 -0.044 0.000 1.407 86 I HN 0.759 nan 8.210 nan 0.000 0.509 87 F N 7.372 127.283 119.950 -0.065 0.000 2.343 87 F HA 0.355 4.882 4.527 0.000 0.000 0.286 87 F C 0.362 176.137 175.800 -0.040 0.000 1.057 87 F CA 0.527 58.506 58.000 -0.036 0.000 1.365 87 F CB 0.507 39.501 39.000 -0.010 0.000 1.114 87 F HN 0.160 nan 8.300 nan 0.000 0.545 88 L N 1.414 122.627 121.223 -0.016 0.000 2.438 88 L HA 0.286 4.626 4.340 0.000 0.000 0.270 88 L C -0.464 176.305 176.870 -0.169 0.000 0.972 88 L CA -0.859 53.897 54.840 -0.139 0.000 0.831 88 L CB 1.860 43.865 42.059 -0.090 0.000 1.273 88 L HN -0.089 nan 8.230 nan 0.000 0.405 89 E N 1.995 122.099 120.200 -0.159 0.000 2.408 89 E HA -0.019 4.331 4.350 0.000 0.000 0.259 89 E C 0.319 176.812 176.600 -0.178 0.000 1.110 89 E CA -0.125 56.190 56.400 -0.142 0.000 0.929 89 E CB 0.866 30.505 29.700 -0.101 0.000 0.971 89 E HN 0.522 nan 8.360 nan 0.000 0.438 90 N N 0.698 119.309 118.700 -0.149 0.000 2.137 90 N HA -0.139 4.601 4.740 0.000 0.000 0.190 90 N C 1.226 176.685 175.510 -0.085 0.000 1.017 90 N CA 0.685 53.647 53.050 -0.146 0.000 0.859 90 N CB -0.002 38.429 38.487 -0.093 0.000 1.002 90 N HN 0.291 nan 8.380 nan 0.000 0.428 91 S N -0.915 114.748 115.700 -0.061 0.000 2.534 91 S HA -0.019 4.452 4.470 0.000 0.000 0.241 91 S C 1.144 175.750 174.600 0.010 0.000 1.334 91 S CA 1.629 59.813 58.200 -0.027 0.000 0.978 91 S CB -0.037 63.138 63.200 -0.041 0.000 0.925 91 S HN 0.521 nan 8.310 nan 0.000 0.522 92 T N 0.219 114.762 114.554 -0.019 0.000 12.566 92 T HA -0.287 4.063 4.350 0.000 0.000 0.419 92 T C 1.044 175.826 174.700 0.137 0.000 1.442 92 T CA 2.185 64.264 62.100 -0.034 0.000 2.381 92 T CB -1.890 66.869 68.868 -0.182 0.000 2.842 92 T HN 0.500 nan 8.240 nan 0.000 0.781 93 F N 2.825 122.740 119.950 -0.058 0.000 2.202 93 F HA -0.054 4.473 4.527 0.000 0.000 0.301 93 F C 2.514 178.347 175.800 0.055 0.000 1.082 93 F CA 1.740 59.749 58.000 0.015 0.000 1.313 93 F CB -0.249 38.729 39.000 -0.036 0.000 1.024 93 F HN 0.562 nan 8.300 nan 0.000 0.495 94 E N 0.384 120.684 120.200 0.167 0.000 2.478 94 E HA -0.074 4.276 4.350 0.000 0.000 0.194 94 E C 2.002 178.586 176.600 -0.026 0.000 1.045 94 E CA 0.532 56.975 56.400 0.072 0.000 0.868 94 E CB -0.763 28.959 29.700 0.036 0.000 0.885 94 E HN 0.430 nan 8.360 nan 0.000 0.505 95 I N 0.182 120.697 120.570 -0.091 0.000 2.335 95 I HA -0.204 3.966 4.170 0.000 0.000 0.251 95 I C 0.782 176.567 176.117 -0.553 0.000 1.129 95 I CA 1.160 62.259 61.300 -0.335 0.000 1.402 95 I CB -0.309 37.407 38.000 -0.472 0.000 1.069 95 I HN -0.048 nan 8.210 nan 0.000 0.424 96 F N 1.261 121.092 119.950 -0.199 0.000 2.987 96 F HA 0.392 4.919 4.527 0.000 0.000 0.302 96 F C 1.534 177.241 175.800 -0.155 0.000 1.221 96 F CA -0.004 57.827 58.000 -0.283 0.000 1.307 96 F CB -0.523 38.177 39.000 -0.500 0.000 1.108 96 F HN 0.081 nan 8.300 nan 0.000 0.521 97 G N 1.945 110.735 108.800 -0.016 0.000 2.698 97 G HA2 -0.408 3.552 3.960 0.000 0.000 0.337 97 G HA3 -0.408 3.552 3.960 0.000 0.000 0.337 97 G C 0.824 175.755 174.900 0.052 0.000 1.286 97 G CA 1.025 46.134 45.100 0.015 0.000 1.000 97 G HN 0.507 nan 8.290 nan 0.000 0.547 98 D N -0.171 120.264 120.400 0.057 0.000 2.535 98 D HA 0.207 4.847 4.640 0.000 0.000 0.229 98 D C 1.630 177.967 176.300 0.062 0.000 1.238 98 D CA 1.024 55.060 54.000 0.060 0.000 0.824 98 D CB -0.086 40.740 40.800 0.043 0.000 1.045 98 D HN 0.776 nan 8.370 nan 0.000 0.500 99 S N -0.056 115.693 115.700 0.082 0.000 2.605 99 S HA 0.128 4.598 4.470 0.000 0.000 0.217 99 S C 0.903 175.547 174.600 0.073 0.000 0.958 99 S CA -0.499 57.756 58.200 0.091 0.000 0.919 99 S CB -0.287 63.003 63.200 0.150 0.000 0.780 99 S HN 0.085 nan 8.310 nan 0.000 0.507 100 I N 3.858 124.442 120.570 0.023 0.000 2.577 100 I HA 0.060 4.230 4.170 0.000 0.000 0.299 100 I C 1.727 177.811 176.117 -0.054 0.000 1.157 100 I CA 0.157 61.400 61.300 -0.094 0.000 1.418 100 I CB -0.549 37.304 38.000 -0.245 0.000 1.467 100 I HN 0.427 nan 8.210 nan 0.000 0.624 101 S N 4.175 119.848 115.700 -0.046 0.000 2.368 101 S HA -0.100 4.370 4.470 0.000 0.000 0.225 101 S C 0.712 175.300 174.600 -0.020 0.000 1.030 101 S CA 1.307 59.473 58.200 -0.056 0.000 0.999 101 S CB 0.265 63.443 63.200 -0.036 0.000 0.844 101 S HN 0.776 nan 8.310 nan 0.000 0.459 102 D N -2.234 118.165 120.400 -0.002 0.000 2.792 102 D HA 0.402 5.042 4.640 0.000 0.000 0.335 102 D C -1.771 174.601 176.300 0.120 0.000 1.353 102 D CA -0.504 53.546 54.000 0.083 0.000 0.839 102 D CB 1.021 41.857 40.800 0.061 0.000 1.396 102 D HN 0.290 nan 8.370 nan 0.000 0.479 103 Y N -1.275 119.083 120.300 0.096 0.000 2.571 103 Y HA 0.737 5.287 4.550 0.000 0.000 0.341 103 Y C -1.483 174.552 175.900 0.224 0.000 1.076 103 Y CA -0.885 57.298 58.100 0.138 0.000 1.029 103 Y CB 1.770 40.362 38.460 0.219 0.000 1.308 103 Y HN 0.179 nan 8.280 nan 0.000 0.461 104 S N 2.491 118.368 115.700 0.295 0.000 2.677 104 S HA 0.650 5.120 4.470 0.000 0.000 0.283 104 S C -1.849 173.097 174.600 0.576 0.000 1.159 104 S CA -0.575 57.807 58.200 0.305 0.000 1.001 104 S CB 1.042 64.424 63.200 0.304 0.000 1.032 104 S HN 0.722 nan 8.310 nan 0.000 0.487 105 V N 5.296 125.459 119.914 0.415 0.000 2.432 105 V HA 0.408 4.528 4.120 0.000 0.000 0.275 105 V C 0.695 176.693 176.094 -0.160 0.000 1.043 105 V CA -0.577 61.896 62.300 0.287 0.000 0.925 105 V CB 1.271 33.276 31.823 0.304 0.000 0.985 105 V HN 1.025 nan 8.190 nan 0.000 0.466 106 S N 7.232 122.493 115.700 -0.731 0.000 2.558 106 S HA 0.102 4.572 4.470 0.000 0.000 0.288 106 S C -1.050 173.246 174.600 -0.507 0.000 1.318 106 S CA -0.583 56.714 58.200 -1.505 0.000 1.056 106 S CB 0.555 62.766 63.200 -1.649 0.000 0.853 106 S HN 0.680 nan 8.310 nan 0.000 0.505 107 P HA -0.170 nan 4.420 nan 0.000 0.218 107 P C 0.487 177.753 177.300 -0.057 0.000 1.146 107 P CA 1.616 64.652 63.100 -0.107 0.000 0.813 107 P CB -0.302 31.365 31.700 -0.055 0.000 0.778 108 D N -1.167 119.195 120.400 -0.064 0.000 2.336 108 D HA -0.008 4.632 4.640 0.000 0.000 0.228 108 D C 0.522 176.839 176.300 0.029 0.000 1.120 108 D CA -0.492 53.518 54.000 0.016 0.000 0.839 108 D CB -0.791 40.059 40.800 0.083 0.000 0.932 108 D HN 0.058 nan 8.370 nan 0.000 0.509 109 R N -0.584 119.932 120.500 0.026 0.000 3.826 109 R HA -0.205 4.135 4.340 0.000 0.000 0.295 109 R C 0.617 176.969 176.300 0.086 0.000 1.200 109 R CA 0.797 56.990 56.100 0.155 0.000 0.818 109 R CB -2.216 28.227 30.300 0.237 0.000 1.216 109 R HN 0.359 nan 8.270 nan 0.000 0.513 110 L N -1.074 120.110 121.223 -0.065 0.000 2.416 110 L HA 0.217 4.557 4.340 0.000 0.000 0.216 110 L C 0.436 176.875 176.870 -0.720 0.000 1.098 110 L CA 0.689 55.298 54.840 -0.385 0.000 0.840 110 L CB 0.164 41.946 42.059 -0.462 0.000 0.981 110 L HN -0.002 nan 8.230 nan 0.000 0.462 111 F N -1.985 117.921 119.950 -0.074 0.000 2.664 111 F HA 0.603 5.130 4.527 0.000 0.000 0.317 111 F C -0.489 175.417 175.800 0.177 0.000 1.108 111 F CA -1.099 56.927 58.000 0.043 0.000 0.957 111 F CB 1.723 40.781 39.000 0.096 0.000 1.365 111 F HN -0.586 nan 8.300 nan 0.000 0.475 112 V N 2.316 122.595 119.914 0.609 0.000 2.733 112 V HA 0.360 4.480 4.120 0.000 0.000 0.306 112 V C -0.735 175.719 176.094 0.601 0.000 1.084 112 V CA -0.771 61.895 62.300 0.611 0.000 0.905 112 V CB 2.209 34.346 31.823 0.523 0.000 1.010 112 V HN 0.567 nan 8.190 nan 0.000 0.424 113 L N 5.238 126.823 121.223 0.605 0.000 2.290 113 L HA 0.478 4.818 4.340 0.000 0.000 0.284 113 L C -0.684 176.344 176.870 0.262 0.000 1.078 113 L CA -0.262 54.790 54.840 0.353 0.000 0.815 113 L CB 0.931 43.107 42.059 0.196 0.000 1.162 113 L HN 0.470 nan 8.230 nan 0.000 0.435 114 L N 4.792 126.086 121.223 0.118 0.000 2.276 114 L HA 0.384 4.724 4.340 0.000 0.000 0.286 114 L C 0.068 176.829 176.870 -0.182 0.000 1.024 114 L CA -0.323 54.439 54.840 -0.130 0.000 0.826 114 L CB 1.521 43.343 42.059 -0.395 0.000 1.211 114 L HN 0.595 nan 8.230 nan 0.000 0.422 115 E N 4.636 124.725 120.200 -0.186 0.000 2.227 115 E HA 0.432 4.782 4.350 0.000 0.000 0.282 115 E C -1.584 174.859 176.600 -0.262 0.000 1.015 115 E CA -0.439 55.709 56.400 -0.421 0.000 0.823 115 E CB 0.998 30.579 29.700 -0.197 0.000 1.081 115 E HN 0.462 nan 8.360 nan 0.000 0.396 116 Y N 1.424 121.408 120.300 -0.527 0.000 2.638 116 Y HA 0.418 4.968 4.550 0.000 0.000 0.335 116 Y C -0.583 175.200 175.900 -0.194 0.000 1.155 116 Y CA -1.430 56.485 58.100 -0.308 0.000 1.046 116 Y CB 0.858 39.116 38.460 -0.337 0.000 1.303 116 Y HN 0.552 nan 8.280 nan 0.000 0.460 117 N N -0.111 118.586 118.700 -0.005 0.000 2.783 117 N HA -0.279 4.461 4.740 0.000 0.000 0.247 117 N C -1.302 174.198 175.510 -0.016 0.000 1.089 117 N CA 0.778 53.807 53.050 -0.035 0.000 0.690 117 N CB -1.800 36.587 38.487 -0.166 0.000 0.991 117 N HN 0.886 nan 8.380 nan 0.000 0.552 118 Y N 0.031 120.273 120.300 -0.098 0.000 2.526 118 Y HA 0.338 4.888 4.550 0.000 0.000 0.330 118 Y C 0.098 175.982 175.900 -0.026 0.000 1.156 118 Y CA -0.118 57.941 58.100 -0.068 0.000 1.419 118 Y CB 0.664 39.028 38.460 -0.161 0.000 1.250 118 Y HN -0.010 nan 8.280 nan 0.000 0.540 119 V N 7.917 127.782 119.914 -0.082 0.000 2.488 119 V HA 0.180 4.300 4.120 0.000 0.000 0.293 119 V C -0.262 175.751 176.094 -0.136 0.000 1.027 119 V CA -1.357 60.939 62.300 -0.006 0.000 0.862 119 V CB 1.312 33.121 31.823 -0.023 0.000 1.008 119 V HN 0.765 nan 8.190 nan 0.000 0.428 120 K N 3.852 124.271 120.400 0.030 0.000 2.336 120 K HA 0.284 4.604 4.320 0.000 0.000 0.262 120 K C -0.287 176.257 176.600 -0.094 0.000 0.992 120 K CA 0.055 56.364 56.287 0.036 0.000 0.927 120 K CB 0.601 33.226 32.500 0.208 0.000 0.956 120 K HN 0.765 nan 8.250 nan 0.000 0.495 121 Q N 3.883 123.582 119.800 -0.168 0.000 2.487 121 Q HA 0.105 4.445 4.340 0.000 0.000 0.234 121 Q C -1.638 174.161 176.000 -0.336 0.000 0.828 121 Q CA -0.470 55.016 55.803 -0.528 0.000 0.907 121 Q CB 0.427 28.664 28.738 -0.834 0.000 1.462 121 Q HN 0.876 nan 8.270 nan 0.000 0.442 122 W N 1.294 122.651 121.300 0.095 0.000 3.078 122 W HA -0.377 4.283 4.660 0.000 0.000 0.309 122 W C 1.110 177.615 176.519 -0.024 0.000 0.391 122 W CA -0.168 57.228 57.345 0.086 0.000 0.459 122 W CB -0.731 28.734 29.460 0.008 0.000 2.855 122 W HN 0.716 nan 8.180 nan 0.000 0.416 123 R N -0.528 120.048 120.500 0.128 0.000 2.080 123 R HA -0.159 4.181 4.340 0.000 0.000 0.236 123 R C 1.796 177.885 176.300 -0.351 0.000 1.137 123 R CA 2.511 58.471 56.100 -0.233 0.000 0.943 123 R CB -0.405 29.558 30.300 -0.562 0.000 0.846 123 R HN 0.512 nan 8.270 nan 0.000 0.431 124 H N -1.931 117.211 119.070 0.120 0.000 2.885 124 H HA 0.325 4.882 4.556 0.000 0.000 0.260 124 H C 0.247 175.648 175.328 0.122 0.000 0.985 124 H CA -0.206 55.935 56.048 0.156 0.000 1.210 124 H CB 0.715 30.554 29.762 0.128 0.000 1.466 124 H HN -0.004 nan 8.280 nan 0.000 0.493 125 S N 1.105 116.737 115.700 -0.114 0.000 2.608 125 S HA 0.323 4.793 4.470 0.000 0.000 0.261 125 S C -0.717 173.737 174.600 -0.243 0.000 1.314 125 S CA -0.169 57.588 58.200 -0.738 0.000 0.992 125 S CB 0.388 62.824 63.200 -1.273 0.000 0.935 125 S HN 0.538 nan 8.310 nan 0.000 0.564 126 Y N -2.771 117.272 120.300 -0.429 0.000 2.739 126 Y HA 0.374 4.925 4.550 0.000 0.000 0.377 126 Y C -0.988 174.787 175.900 -0.207 0.000 1.209 126 Y CA -1.122 56.742 58.100 -0.394 0.000 1.448 126 Y CB -0.256 37.794 38.460 -0.683 0.000 1.428 126 Y HN 0.747 nan 8.280 nan 0.000 0.530 127 T N 0.873 115.372 114.554 -0.092 0.000 2.918 127 T HA 1.040 5.391 4.350 0.000 0.000 0.286 127 T C -0.270 174.429 174.700 -0.003 0.000 1.026 127 T CA -0.008 62.065 62.100 -0.044 0.000 1.031 127 T CB 1.791 70.645 68.868 -0.024 0.000 1.046 127 T HN 1.965 nan 8.240 nan 0.000 0.479 128 A N 1.378 124.193 122.820 -0.010 0.000 2.568 128 A HA 0.829 5.149 4.320 0.000 0.000 0.291 128 A C -0.499 176.871 177.584 -0.357 0.000 1.159 128 A CA -0.993 50.927 52.037 -0.195 0.000 0.679 128 A CB 1.207 20.061 19.000 -0.243 0.000 1.285 128 A HN 0.875 nan 8.150 nan 0.000 0.428 129 S N -0.965 114.269 115.700 -0.777 0.000 2.638 129 S HA 0.839 5.309 4.470 0.000 0.000 0.298 129 S C -1.528 172.381 174.600 -1.151 0.000 1.111 129 S CA -0.124 57.545 58.200 -0.884 0.000 1.027 129 S CB 0.826 63.250 63.200 -1.292 0.000 1.064 129 S HN 0.468 nan 8.310 nan 0.000 0.525 130 Y N -0.092 119.942 120.300 -0.445 0.000 2.562 130 Y HA 0.578 5.128 4.550 0.000 0.000 0.345 130 Y C -0.076 175.810 175.900 -0.023 0.000 1.045 130 Y CA -0.743 57.227 58.100 -0.217 0.000 1.028 130 Y CB 2.189 40.479 38.460 -0.283 0.000 1.297 130 Y HN 0.553 nan 8.280 nan 0.000 0.463 131 S N 2.884 118.679 115.700 0.157 0.000 2.575 131 S HA 0.602 5.072 4.470 0.000 0.000 0.278 131 S C -1.284 173.414 174.600 0.164 0.000 1.139 131 S CA -0.701 57.602 58.200 0.172 0.000 0.954 131 S CB 1.063 64.434 63.200 0.285 0.000 1.054 131 S HN 0.357 nan 8.310 nan 0.000 0.483 132 I N 3.016 123.677 120.570 0.152 0.000 2.365 132 I HA 0.314 4.484 4.170 0.000 0.000 0.291 132 I C -0.537 175.765 176.117 0.308 0.000 1.004 132 I CA -0.519 60.907 61.300 0.211 0.000 1.311 132 I CB 0.372 38.420 38.000 0.080 0.000 1.401 132 I HN 0.718 nan 8.210 nan 0.000 0.491 133 Y N 4.917 125.378 120.300 0.268 0.000 2.328 133 Y HA 0.294 4.844 4.550 0.000 0.000 0.337 133 Y C -0.020 176.024 175.900 0.240 0.000 0.966 133 Y CA -0.723 57.510 58.100 0.221 0.000 1.136 133 Y CB 0.978 39.549 38.460 0.185 0.000 1.170 133 Y HN 0.526 nan 8.280 nan 0.000 0.470 134 D N 6.866 127.033 120.400 -0.388 0.000 2.352 134 D HA 0.089 4.729 4.640 0.000 0.000 0.245 134 D C 0.933 176.827 176.300 -0.677 0.000 1.224 134 D CA 0.349 54.129 54.000 -0.367 0.000 0.879 134 D CB 0.806 41.514 40.800 -0.152 0.000 1.057 134 D HN 0.878 nan 8.370 nan 0.000 0.491 135 L N 3.643 124.590 121.223 -0.460 0.000 2.012 135 L HA -0.217 4.124 4.340 0.000 0.000 0.210 135 L C 2.147 178.845 176.870 -0.286 0.000 1.073 135 L CA 0.939 55.611 54.840 -0.280 0.000 0.748 135 L CB -0.445 41.463 42.059 -0.252 0.000 0.891 135 L HN 0.390 nan 8.230 nan 0.000 0.431 136 N N 0.682 119.182 118.700 -0.332 0.000 2.039 136 N HA -0.246 4.495 4.740 0.000 0.000 0.193 136 N C 1.739 177.135 175.510 -0.191 0.000 1.044 136 N CA 1.498 54.405 53.050 -0.238 0.000 0.847 136 N CB -0.056 38.282 38.487 -0.249 0.000 1.030 136 N HN -0.020 nan 8.380 nan 0.000 0.422 137 K N 0.827 121.105 120.400 -0.203 0.000 2.515 137 K HA 0.086 4.406 4.320 0.000 0.000 0.196 137 K C -0.297 176.207 176.600 -0.161 0.000 1.038 137 K CA 0.343 56.545 56.287 -0.142 0.000 0.967 137 K CB 0.007 32.454 32.500 -0.088 0.000 0.780 137 K HN 0.175 nan 8.250 nan 0.000 0.483 138 R N 0.470 120.825 120.500 -0.241 0.000 3.336 138 R HA -0.227 4.113 4.340 0.000 0.000 0.260 138 R C -1.090 175.098 176.300 -0.187 0.000 1.032 138 R CA 1.161 57.145 56.100 -0.192 0.000 0.693 138 R CB -1.848 28.423 30.300 -0.048 0.000 1.134 138 R HN 0.595 nan 8.270 nan 0.000 0.433 139 Q N -1.559 117.962 119.800 -0.466 0.000 2.776 139 Q HA 0.449 4.789 4.340 0.000 0.000 0.289 139 Q C -1.042 174.835 176.000 -0.205 0.000 0.912 139 Q CA -1.089 54.608 55.803 -0.177 0.000 0.789 139 Q CB 0.745 29.461 28.738 -0.037 0.000 1.498 139 Q HN 0.098 nan 8.270 nan 0.000 0.408 140 L N 1.820 123.102 121.223 0.099 0.000 2.418 140 L HA 0.338 4.678 4.340 0.000 0.000 0.274 140 L C -0.186 176.742 176.870 0.097 0.000 1.135 140 L CA -0.415 54.529 54.840 0.173 0.000 0.870 140 L CB 0.168 42.365 42.059 0.230 0.000 1.154 140 L HN 0.587 nan 8.230 nan 0.000 0.462 141 I N 3.038 123.660 120.570 0.087 0.000 2.598 141 I HA -0.075 4.096 4.170 0.000 0.000 0.284 141 I C 1.243 177.396 176.117 0.060 0.000 1.140 141 I CA 0.538 61.871 61.300 0.056 0.000 1.420 141 I CB 0.995 38.944 38.000 -0.086 0.000 1.387 141 I HN 0.652 nan 8.210 nan 0.000 0.553 142 T N 3.465 118.058 114.554 0.065 0.000 3.040 142 T HA 0.126 4.476 4.350 0.000 0.000 0.266 142 T C 1.043 175.760 174.700 0.028 0.000 1.005 142 T CA 0.094 62.221 62.100 0.046 0.000 0.906 142 T CB 0.150 69.042 68.868 0.040 0.000 1.082 142 T HN 0.586 nan 8.240 nan 0.000 0.531 143 E N 1.526 121.752 120.200 0.043 0.000 2.007 143 E HA 0.105 4.455 4.350 0.000 0.000 0.204 143 E C 0.658 177.253 176.600 -0.008 0.000 0.933 143 E CA 0.591 57.009 56.400 0.029 0.000 0.924 143 E CB -0.046 29.694 29.700 0.066 0.000 0.868 143 E HN 0.217 nan 8.360 nan 0.000 0.535 144 E N 2.334 122.527 120.200 -0.012 0.000 1.842 144 E HA 0.042 4.392 4.350 0.000 0.000 0.278 144 E C -0.547 175.999 176.600 -0.091 0.000 1.171 144 E CA 0.171 56.540 56.400 -0.052 0.000 1.127 144 E CB -0.386 29.291 29.700 -0.039 0.000 1.100 144 E HN 0.171 nan 8.360 nan 0.000 0.456 145 K N 0.854 121.193 120.400 -0.101 0.000 2.188 145 K HA 0.229 4.549 4.320 0.000 0.000 0.246 145 K C 0.749 177.205 176.600 -0.240 0.000 1.026 145 K CA -0.170 56.037 56.287 -0.133 0.000 0.871 145 K CB 0.737 33.177 32.500 -0.101 0.000 1.042 145 K HN 0.354 nan 8.250 nan 0.000 0.509 146 I N 2.355 122.743 120.570 -0.304 0.000 2.377 146 I HA 0.268 4.438 4.170 0.000 0.000 0.293 146 I C -2.130 173.665 176.117 -0.537 0.000 0.987 146 I CA -2.647 58.324 61.300 -0.549 0.000 1.185 146 I CB 1.480 39.098 38.000 -0.636 0.000 1.341 146 I HN 0.449 nan 8.210 nan 0.000 0.455 147 P HA -0.146 nan 4.420 nan 0.000 0.264 147 P C -0.533 176.500 177.300 -0.445 0.000 1.156 147 P CA 0.586 63.196 63.100 -0.816 0.000 0.756 147 P CB 0.270 30.995 31.700 -1.625 0.000 0.764 148 N N 2.186 120.726 118.700 -0.266 0.000 2.466 148 N HA -0.010 4.730 4.740 0.000 0.000 0.211 148 N C 0.347 175.843 175.510 -0.024 0.000 1.256 148 N CA -0.118 52.855 53.050 -0.127 0.000 0.840 148 N CB -0.154 38.289 38.487 -0.073 0.000 1.079 148 N HN 0.331 nan 8.380 nan 0.000 0.466 149 N N 0.014 118.768 118.700 0.088 0.000 2.423 149 N HA -0.000 4.740 4.740 0.000 0.000 0.262 149 N C -1.140 174.540 175.510 0.284 0.000 1.467 149 N CA 0.009 53.169 53.050 0.185 0.000 0.847 149 N CB 0.695 39.337 38.487 0.257 0.000 1.394 149 N HN -0.024 nan 8.380 nan 0.000 0.495 150 T N 1.006 115.695 114.554 0.224 0.000 2.934 150 T HA 0.001 4.351 4.350 0.000 0.000 0.306 150 T C 1.614 176.416 174.700 0.170 0.000 1.042 150 T CA 0.624 62.862 62.100 0.229 0.000 1.145 150 T CB 1.146 70.021 68.868 0.011 0.000 0.982 150 T HN 0.209 nan 8.240 nan 0.000 0.544 151 Q N 1.386 121.289 119.800 0.172 0.000 2.339 151 Q HA 0.163 4.503 4.340 0.000 0.000 0.205 151 Q C 0.243 176.352 176.000 0.181 0.000 0.925 151 Q CA 0.275 56.181 55.803 0.173 0.000 0.898 151 Q CB 0.886 29.718 28.738 0.157 0.000 1.013 151 Q HN 0.749 nan 8.270 nan 0.000 0.504 152 W N -0.026 121.197 121.300 -0.129 0.000 3.464 152 W HA 0.555 5.215 4.660 0.000 0.000 0.292 152 W C -2.414 173.996 176.519 -0.183 0.000 1.262 152 W CA -0.707 56.519 57.345 -0.199 0.000 1.202 152 W CB 1.114 30.395 29.460 -0.300 0.000 1.334 152 W HN -0.071 nan 8.180 nan 0.000 0.561 153 I N 3.935 123.621 120.570 -1.472 0.000 2.918 153 I HA 0.645 4.815 4.170 0.000 0.000 0.301 153 I C -1.653 173.774 176.117 -1.150 0.000 1.312 153 I CA -0.097 60.569 61.300 -1.057 0.000 1.007 153 I CB 2.577 39.963 38.000 -1.024 0.000 1.281 153 I HN 0.383 nan 8.210 nan 0.000 0.440 154 T N 4.147 118.358 114.554 -0.572 0.000 3.047 154 T HA 0.376 4.726 4.350 0.000 0.000 0.340 154 T C -1.706 172.944 174.700 -0.083 0.000 1.421 154 T CA -0.316 61.615 62.100 -0.282 0.000 1.090 154 T CB 0.544 69.457 68.868 0.075 0.000 1.292 154 T HN 0.548 nan 8.240 nan 0.000 0.480 155 W N 2.984 124.278 121.300 -0.009 0.000 2.093 155 W HA 0.463 5.124 4.660 0.000 0.000 0.352 155 W C 1.446 177.814 176.519 -0.252 0.000 1.294 155 W CA -0.380 56.909 57.345 -0.093 0.000 1.290 155 W CB 0.595 30.023 29.460 -0.053 0.000 1.149 155 W HN 0.836 nan 8.180 nan 0.000 0.606 156 S N 0.174 115.660 115.700 -0.356 0.000 2.626 156 S HA 0.026 4.496 4.470 0.000 0.000 0.257 156 S C 0.699 175.143 174.600 -0.259 0.000 1.288 156 S CA -0.377 57.214 58.200 -1.015 0.000 0.980 156 S CB 0.665 63.105 63.200 -1.266 0.000 0.975 156 S HN 0.684 nan 8.310 nan 0.000 0.577 157 Q N 0.375 120.085 119.800 -0.150 0.000 2.311 157 Q HA -0.078 4.262 4.340 0.000 0.000 0.203 157 Q C 1.727 177.711 176.000 -0.026 0.000 0.954 157 Q CA 1.450 57.261 55.803 0.012 0.000 0.885 157 Q CB -0.000 28.781 28.738 0.071 0.000 0.963 157 Q HN 0.934 nan 8.270 nan 0.000 0.471 158 E N -1.556 118.579 120.200 -0.108 0.000 2.592 158 E HA 0.167 4.517 4.350 0.000 0.000 0.184 158 E C 1.455 177.983 176.600 -0.120 0.000 1.056 158 E CA 0.309 56.655 56.400 -0.090 0.000 1.151 158 E CB -0.540 29.109 29.700 -0.086 0.000 1.435 158 E HN 0.083 nan 8.360 nan 0.000 0.496 159 G N 1.029 109.709 108.800 -0.200 0.000 2.961 159 G HA2 -0.040 3.920 3.960 0.000 0.000 0.150 159 G HA3 -0.040 3.920 3.960 0.000 0.000 0.150 159 G C 0.533 175.319 174.900 -0.190 0.000 1.864 159 G CA 0.625 45.575 45.100 -0.250 0.000 0.992 159 G HN 0.599 nan 8.290 nan 0.000 0.458 160 H N -0.759 118.284 119.070 -0.044 0.000 2.767 160 H HA 0.438 4.994 4.556 0.000 0.000 0.235 160 H C -0.255 175.193 175.328 0.200 0.000 1.256 160 H CA -0.459 55.602 56.048 0.022 0.000 0.957 160 H CB -0.167 29.600 29.762 0.007 0.000 2.117 160 H HN 0.158 nan 8.280 nan 0.000 0.602 161 K N 1.660 122.037 120.400 -0.038 0.000 2.185 161 K HA 0.535 4.855 4.320 0.000 0.000 0.271 161 K C -0.445 176.129 176.600 -0.044 0.000 1.013 161 K CA -0.452 55.751 56.287 -0.141 0.000 0.943 161 K CB 1.739 33.903 32.500 -0.560 0.000 0.998 161 K HN 0.147 nan 8.250 nan 0.000 0.468 162 L N 1.258 122.502 121.223 0.035 0.000 2.370 162 L HA 0.679 5.020 4.340 0.000 0.000 0.266 162 L C -0.932 176.131 176.870 0.322 0.000 1.002 162 L CA -0.958 53.896 54.840 0.023 0.000 0.818 162 L CB 2.165 44.092 42.059 -0.221 0.000 1.325 162 L HN 0.679 nan 8.230 nan 0.000 0.418 163 A N 2.203 125.206 122.820 0.304 0.000 2.402 163 A HA 0.755 5.075 4.320 0.000 0.000 0.291 163 A C -1.645 175.968 177.584 0.047 0.000 1.051 163 A CA -0.386 51.749 52.037 0.164 0.000 0.716 163 A CB 1.092 20.146 19.000 0.090 0.000 1.223 163 A HN 0.636 nan 8.150 nan 0.000 0.425 164 Y N -0.147 120.113 120.300 -0.067 0.000 2.581 164 Y HA 0.803 5.353 4.550 0.000 0.000 0.345 164 Y C -1.144 174.778 175.900 0.036 0.000 1.036 164 Y CA -1.639 56.388 58.100 -0.122 0.000 1.042 164 Y CB 1.224 39.534 38.460 -0.250 0.000 1.289 164 Y HN 0.374 nan 8.280 nan 0.000 0.471 165 V N 2.475 122.530 119.914 0.234 0.000 2.459 165 V HA 0.368 4.489 4.120 0.000 0.000 0.295 165 V C -1.423 174.903 176.094 0.386 0.000 1.029 165 V CA -0.555 61.867 62.300 0.203 0.000 0.874 165 V CB 1.307 33.162 31.823 0.053 0.000 0.985 165 V HN 0.874 nan 8.190 nan 0.000 0.438 166 W N 5.729 127.152 121.300 0.205 0.000 3.211 166 W HA 0.542 5.202 4.660 0.000 0.000 0.335 166 W C 0.124 176.720 176.519 0.127 0.000 1.113 166 W CA -1.033 56.399 57.345 0.145 0.000 1.235 166 W CB 1.261 30.788 29.460 0.112 0.000 1.365 166 W HN 0.535 nan 8.180 nan 0.000 0.476 167 K N 5.165 125.213 120.400 -0.587 0.000 3.117 167 K HA -0.309 4.011 4.320 0.000 0.000 0.269 167 K C 0.231 176.663 176.600 -0.280 0.000 1.098 167 K CA 1.441 57.373 56.287 -0.591 0.000 0.785 167 K CB -1.753 30.202 32.500 -0.908 0.000 1.242 167 K HN 0.907 nan 8.250 nan 0.000 0.491 168 N N -0.439 118.151 118.700 -0.183 0.000 2.828 168 N HA -0.164 4.577 4.740 0.000 0.000 0.248 168 N C -0.639 174.798 175.510 -0.121 0.000 1.044 168 N CA 1.813 54.769 53.050 -0.158 0.000 0.851 168 N CB -0.413 37.916 38.487 -0.264 0.000 1.136 168 N HN 0.489 nan 8.380 nan 0.000 0.572 169 D N -0.222 120.136 120.400 -0.070 0.000 2.340 169 D HA 0.491 5.131 4.640 0.000 0.000 0.240 169 D C 0.484 176.657 176.300 -0.211 0.000 1.001 169 D CA -0.453 53.442 54.000 -0.175 0.000 0.888 169 D CB 1.371 42.045 40.800 -0.211 0.000 1.310 169 D HN -0.015 nan 8.370 nan 0.000 0.474 170 I N 1.467 121.754 120.570 -0.473 0.000 2.440 170 I HA 0.258 4.428 4.170 0.000 0.000 0.294 170 I C -0.733 174.939 176.117 -0.742 0.000 0.995 170 I CA -0.475 60.524 61.300 -0.501 0.000 1.306 170 I CB 0.650 38.272 38.000 -0.630 0.000 1.407 170 I HN 0.173 nan 8.210 nan 0.000 0.501 171 Y N 3.758 123.707 120.300 -0.585 0.000 2.492 171 Y HA 0.607 5.157 4.550 0.000 0.000 0.346 171 Y C -0.348 175.225 175.900 -0.545 0.000 0.997 171 Y CA -0.857 56.855 58.100 -0.647 0.000 1.025 171 Y CB 2.072 39.874 38.460 -1.097 0.000 1.263 171 Y HN 0.119 nan 8.280 nan 0.000 0.454 172 V N 3.049 122.907 119.914 -0.092 0.000 2.769 172 V HA 0.537 4.658 4.120 0.000 0.000 0.312 172 V C -0.909 175.287 176.094 0.170 0.000 1.061 172 V CA -1.374 60.963 62.300 0.062 0.000 0.931 172 V CB 2.202 34.083 31.823 0.097 0.000 1.010 172 V HN 0.615 nan 8.190 nan 0.000 0.433 173 K N 4.120 124.636 120.400 0.193 0.000 2.640 173 K HA 0.395 4.716 4.320 0.000 0.000 0.245 173 K C 0.065 176.753 176.600 0.146 0.000 0.962 173 K CA -0.567 55.821 56.287 0.168 0.000 0.896 173 K CB 2.050 34.613 32.500 0.105 0.000 1.147 173 K HN 0.407 nan 8.250 nan 0.000 0.445 174 I N 1.050 121.717 120.570 0.162 0.000 2.423 174 I HA -0.220 3.950 4.170 0.000 0.000 0.254 174 I C 0.718 176.904 176.117 0.114 0.000 1.151 174 I CA 1.460 62.823 61.300 0.104 0.000 1.421 174 I CB -0.123 37.934 38.000 0.096 0.000 1.079 174 I HN 0.608 nan 8.210 nan 0.000 0.431 175 E N -1.199 119.077 120.200 0.128 0.000 2.331 175 E HA 0.319 4.669 4.350 0.000 0.000 0.275 175 E C -2.211 174.376 176.600 -0.022 0.000 0.895 175 E CA -1.929 54.551 56.400 0.133 0.000 0.753 175 E CB 1.871 31.673 29.700 0.170 0.000 1.216 175 E HN -0.288 nan 8.360 nan 0.000 0.434 176 P HA -0.127 nan 4.420 nan 0.000 0.219 176 P C 0.453 177.571 177.300 -0.304 0.000 1.146 176 P CA 1.126 64.003 63.100 -0.372 0.000 0.808 176 P CB 0.150 31.389 31.700 -0.768 0.000 0.779 177 H N -1.612 117.423 119.070 -0.058 0.000 2.482 177 H HA 0.137 4.694 4.556 0.000 0.000 0.286 177 H C 1.112 176.437 175.328 -0.005 0.000 1.017 177 H CA 0.415 56.458 56.048 -0.009 0.000 1.322 177 H CB -0.272 29.503 29.762 0.021 0.000 1.426 177 H HN 0.163 nan 8.280 nan 0.000 0.546 178 L N 2.757 124.046 121.223 0.110 0.000 2.466 178 L HA 0.188 4.528 4.340 0.000 0.000 0.257 178 L C -1.864 175.018 176.870 0.019 0.000 1.189 178 L CA -1.881 53.003 54.840 0.074 0.000 0.813 178 L CB 0.222 42.342 42.059 0.102 0.000 1.118 178 L HN -0.038 nan 8.230 nan 0.000 0.471 179 P HA 0.070 nan 4.420 nan 0.000 0.275 179 P C -0.719 176.495 177.300 -0.144 0.000 1.228 179 P CA -0.445 62.603 63.100 -0.088 0.000 0.786 179 P CB 1.170 32.800 31.700 -0.116 0.000 0.927 180 S N 2.322 117.966 115.700 -0.092 0.000 2.585 180 S HA 0.171 4.641 4.470 0.000 0.000 0.273 180 S C -0.017 174.485 174.600 -0.163 0.000 1.339 180 S CA -0.360 57.827 58.200 -0.023 0.000 1.028 180 S CB -0.014 63.252 63.200 0.110 0.000 0.906 180 S HN 0.455 nan 8.310 nan 0.000 0.528 181 H N 1.419 120.534 119.070 0.074 0.000 2.587 181 H HA 0.334 4.891 4.556 0.000 0.000 0.325 181 H C 0.064 175.366 175.328 -0.043 0.000 1.012 181 H CA -0.490 55.574 56.048 0.027 0.000 1.213 181 H CB 1.092 30.853 29.762 -0.003 0.000 1.431 181 H HN 0.664 nan 8.280 nan 0.000 0.492 182 R N 3.596 124.102 120.500 0.011 0.000 2.370 182 R HA 0.039 4.379 4.340 0.000 0.000 0.309 182 R C 0.653 176.764 176.300 -0.314 0.000 1.059 182 R CA -0.206 55.688 56.100 -0.344 0.000 0.981 182 R CB 0.231 30.386 30.300 -0.243 0.000 0.972 182 R HN 0.524 nan 8.270 nan 0.000 0.437 183 I N 2.430 122.721 120.570 -0.465 0.000 2.867 183 I HA -0.017 4.153 4.170 0.000 0.000 0.265 183 I C 1.044 176.933 176.117 -0.380 0.000 1.162 183 I CA 0.924 62.004 61.300 -0.367 0.000 1.471 183 I CB -0.610 37.131 38.000 -0.431 0.000 1.123 183 I HN 0.678 nan 8.210 nan 0.000 0.440 184 T N -1.764 112.513 114.554 -0.463 0.000 2.883 184 T HA 0.537 4.887 4.350 0.000 0.000 0.296 184 T C 0.164 174.678 174.700 -0.310 0.000 1.117 184 T CA -0.172 61.709 62.100 -0.365 0.000 1.006 184 T CB 2.315 70.945 68.868 -0.397 0.000 1.191 184 T HN 0.072 nan 8.240 nan 0.000 0.508 185 S N -1.477 114.098 115.700 -0.208 0.000 3.101 185 S HA 0.163 4.633 4.470 0.000 0.000 0.252 185 S C 1.046 175.581 174.600 -0.107 0.000 0.920 185 S CA 0.210 58.322 58.200 -0.146 0.000 1.158 185 S CB -0.535 62.601 63.200 -0.106 0.000 1.125 185 S HN 1.042 nan 8.310 nan 0.000 0.608 186 T N -1.332 113.154 114.554 -0.114 0.000 3.086 186 T HA 0.367 4.717 4.350 0.000 0.000 0.250 186 T C 1.130 175.785 174.700 -0.074 0.000 1.074 186 T CA 0.313 62.368 62.100 -0.076 0.000 0.988 186 T CB -0.197 68.636 68.868 -0.059 0.000 0.988 186 T HN 0.539 nan 8.240 nan 0.000 0.530 187 G N 1.331 110.067 108.800 -0.105 0.000 2.353 187 G HA2 0.368 4.328 3.960 0.000 0.000 0.239 187 G HA3 0.368 4.328 3.960 0.000 0.000 0.239 187 G C -0.623 174.193 174.900 -0.139 0.000 1.295 187 G CA -0.371 44.653 45.100 -0.127 0.000 0.884 187 G HN 0.558 nan 8.290 nan 0.000 0.537 188 K N 1.911 122.207 120.400 -0.173 0.000 2.589 188 K HA 0.182 4.502 4.320 0.000 0.000 0.253 188 K C -0.278 176.182 176.600 -0.234 0.000 0.974 188 K CA -0.706 55.483 56.287 -0.164 0.000 0.835 188 K CB 1.604 34.049 32.500 -0.090 0.000 1.272 188 K HN 0.647 nan 8.250 nan 0.000 0.444 189 E N 3.692 123.760 120.200 -0.220 0.000 2.765 189 E HA -0.159 4.192 4.350 0.000 0.000 0.256 189 E C -0.354 176.171 176.600 -0.126 0.000 0.935 189 E CA 0.793 57.066 56.400 -0.213 0.000 0.954 189 E CB 0.123 29.742 29.700 -0.134 0.000 0.908 189 E HN 0.652 nan 8.360 nan 0.000 0.500 190 N N 2.017 120.648 118.700 -0.115 0.000 2.708 190 N HA -0.195 4.545 4.740 0.000 0.000 0.251 190 N C -0.285 175.378 175.510 0.255 0.000 1.123 190 N CA 1.105 54.278 53.050 0.203 0.000 0.739 190 N CB -1.159 37.458 38.487 0.217 0.000 1.113 190 N HN 0.321 nan 8.380 nan 0.000 0.561 191 V N -1.747 118.239 119.914 0.120 0.000 3.889 191 V HA 0.278 4.398 4.120 0.000 0.000 0.184 191 V C 0.366 176.623 176.094 0.272 0.000 1.311 191 V CA 0.244 62.665 62.300 0.202 0.000 1.277 191 V CB 0.670 32.543 31.823 0.084 0.000 1.364 191 V HN 0.025 nan 8.190 nan 0.000 0.567 192 I N 1.731 122.344 120.570 0.071 0.000 2.355 192 I HA 0.493 4.664 4.170 0.000 0.000 0.288 192 I C -1.403 174.734 176.117 0.034 0.000 0.999 192 I CA -0.295 61.096 61.300 0.151 0.000 1.163 192 I CB 0.919 38.956 38.000 0.061 0.000 1.316 192 I HN 0.116 nan 8.210 nan 0.000 0.454 193 F N 4.966 125.010 119.950 0.156 0.000 2.426 193 F HA 0.428 4.955 4.527 0.000 0.000 0.348 193 F C 0.584 176.466 175.800 0.137 0.000 1.124 193 F CA -0.717 57.382 58.000 0.166 0.000 1.008 193 F CB 1.029 40.200 39.000 0.283 0.000 1.139 193 F HN 0.317 nan 8.300 nan 0.000 0.452 194 N N 2.236 121.028 118.700 0.154 0.000 2.476 194 N HA 0.388 5.128 4.740 0.000 0.000 0.257 194 N C 0.805 176.289 175.510 -0.044 0.000 0.970 194 N CA 0.202 53.275 53.050 0.039 0.000 0.938 194 N CB 1.831 40.235 38.487 -0.138 0.000 1.144 194 N HN 0.891 nan 8.380 nan 0.000 0.500 195 G N 1.661 110.470 108.800 0.016 0.000 2.179 195 G HA2 -0.240 3.721 3.960 0.000 0.000 0.260 195 G HA3 -0.240 3.721 3.960 0.000 0.000 0.260 195 G C 0.087 174.867 174.900 -0.200 0.000 0.977 195 G CA 0.598 45.625 45.100 -0.122 0.000 0.641 195 G HN 0.642 nan 8.290 nan 0.000 0.533 196 I N -3.349 117.184 120.570 -0.062 0.000 2.865 196 I HA 0.609 4.780 4.170 0.000 0.000 0.302 196 I C -0.661 175.505 176.117 0.081 0.000 1.140 196 I CA -1.552 59.607 61.300 -0.235 0.000 1.021 196 I CB 1.724 39.417 38.000 -0.511 0.000 1.233 196 I HN -0.132 nan 8.210 nan 0.000 0.427 197 N N 3.292 121.977 118.700 -0.024 0.000 2.515 197 N HA 0.171 4.911 4.740 0.000 0.000 0.279 197 N C -0.868 174.482 175.510 -0.265 0.000 1.164 197 N CA -0.294 52.600 53.050 -0.259 0.000 0.982 197 N CB 1.052 39.492 38.487 -0.077 0.000 1.170 197 N HN 0.759 nan 8.380 nan 0.000 0.474 198 D N -0.515 119.415 120.400 -0.783 0.000 2.433 198 D HA -0.054 4.586 4.640 0.000 0.000 0.255 198 D C 1.134 177.339 176.300 -0.158 0.000 1.226 198 D CA -0.513 52.980 54.000 -0.845 0.000 1.015 198 D CB 0.664 40.834 40.800 -1.050 0.000 1.091 198 D HN 0.531 nan 8.370 nan 0.000 0.527 199 W N 0.769 122.016 121.300 -0.088 0.000 2.302 199 W HA -0.281 4.379 4.660 0.000 0.000 0.320 199 W C 2.215 178.649 176.519 -0.142 0.000 1.241 199 W CA 2.694 59.999 57.345 -0.066 0.000 1.264 199 W CB -0.560 28.800 29.460 -0.166 0.000 1.154 199 W HN 0.227 nan 8.180 nan 0.000 0.483 200 V N -0.256 119.735 119.914 0.129 0.000 2.358 200 V HA -0.303 3.818 4.120 0.000 0.000 0.246 200 V C 1.970 177.885 176.094 -0.298 0.000 1.047 200 V CA 2.146 64.391 62.300 -0.093 0.000 1.035 200 V CB -0.836 30.973 31.823 -0.023 0.000 0.658 200 V HN 0.306 nan 8.190 nan 0.000 0.452 201 Y N 0.653 120.762 120.300 -0.318 0.000 2.224 201 Y HA -0.197 4.353 4.550 0.000 0.000 0.289 201 Y C 2.634 178.402 175.900 -0.220 0.000 1.146 201 Y CA 2.216 60.124 58.100 -0.321 0.000 1.182 201 Y CB -0.101 38.057 38.460 -0.504 0.000 0.983 201 Y HN 0.378 nan 8.280 nan 0.000 0.524 202 E N 0.198 120.346 120.200 -0.087 0.000 2.028 202 E HA -0.271 4.079 4.350 0.000 0.000 0.191 202 E C 2.045 178.574 176.600 -0.118 0.000 0.988 202 E CA 1.478 57.862 56.400 -0.026 0.000 0.799 202 E CB -0.004 29.696 29.700 0.001 0.000 0.755 202 E HN 0.391 nan 8.360 nan 0.000 0.447 203 E N 0.436 120.382 120.200 -0.424 0.000 2.047 203 E HA -0.163 4.187 4.350 0.000 0.000 0.191 203 E C 1.679 178.121 176.600 -0.263 0.000 0.987 203 E CA 1.542 57.675 56.400 -0.446 0.000 0.799 203 E CB 0.102 29.168 29.700 -1.057 0.000 0.752 203 E HN 0.189 nan 8.360 nan 0.000 0.449 204 E N -0.703 119.308 120.200 -0.315 0.000 2.460 204 E HA 0.090 4.440 4.350 0.000 0.000 0.200 204 E C 1.544 177.960 176.600 -0.306 0.000 1.011 204 E CA 0.105 56.366 56.400 -0.232 0.000 0.912 204 E CB 0.658 30.221 29.700 -0.228 0.000 0.953 204 E HN 0.333 nan 8.360 nan 0.000 0.494 205 I N -0.928 119.399 120.570 -0.406 0.000 3.523 205 I HA 0.057 4.227 4.170 0.000 0.000 0.244 205 I C 1.831 177.683 176.117 -0.442 0.000 1.110 205 I CA 0.570 61.534 61.300 -0.561 0.000 1.517 205 I CB -1.024 36.415 38.000 -0.935 0.000 1.505 205 I HN -0.054 nan 8.210 nan 0.000 0.460 206 F N 1.454 121.379 119.950 -0.042 0.000 2.569 206 F HA 0.248 4.775 4.527 0.000 0.000 0.295 206 F C 1.816 177.561 175.800 -0.091 0.000 1.115 206 F CA 0.695 58.691 58.000 -0.007 0.000 1.450 206 F CB -0.231 38.809 39.000 0.067 0.000 1.107 206 F HN 0.341 nan 8.300 nan 0.000 0.563 207 G N 1.104 109.904 108.800 -0.000 0.000 2.225 207 G HA2 -0.067 3.893 3.960 0.000 0.000 0.267 207 G HA3 -0.067 3.893 3.960 0.000 0.000 0.267 207 G C -0.046 174.487 174.900 -0.611 0.000 1.024 207 G CA 0.181 45.165 45.100 -0.193 0.000 0.784 207 G HN 0.776 nan 8.290 nan 0.000 0.507 208 A N -2.222 120.447 122.820 -0.252 0.000 2.602 208 A HA 0.720 5.041 4.320 0.000 0.000 0.290 208 A C 0.085 177.665 177.584 -0.005 0.000 1.114 208 A CA 0.267 52.161 52.037 -0.237 0.000 0.683 208 A CB 0.415 19.296 19.000 -0.198 0.000 1.281 208 A HN 0.915 nan 8.150 nan 0.000 0.416 209 Y N 0.961 121.128 120.300 -0.223 0.000 2.365 209 Y HA 0.188 4.738 4.550 0.000 0.000 0.293 209 Y C 1.603 177.204 175.900 -0.499 0.000 1.119 209 Y CA 0.987 58.945 58.100 -0.237 0.000 1.203 209 Y CB -0.126 38.240 38.460 -0.157 0.000 1.026 209 Y HN 0.636 nan 8.280 nan 0.000 0.549 210 S N 0.245 115.387 115.700 -0.930 0.000 2.568 210 S HA 0.418 4.888 4.470 0.000 0.000 0.282 210 S C 0.362 174.425 174.600 -0.895 0.000 1.338 210 S CA 0.300 57.700 58.200 -1.334 0.000 1.045 210 S CB 0.453 62.588 63.200 -1.775 0.000 0.873 210 S HN 0.436 nan 8.310 nan 0.000 0.516 211 A N 4.958 127.236 122.820 -0.904 0.000 2.709 211 A HA 0.470 4.790 4.320 0.000 0.000 0.241 211 A C -0.581 176.311 177.584 -1.154 0.000 0.879 211 A CA -0.461 51.017 52.037 -0.931 0.000 1.120 211 A CB 0.008 18.902 19.000 -0.177 0.000 1.226 211 A HN 0.664 nan 8.150 nan 0.000 0.468 212 L N 0.095 120.521 121.223 -1.329 0.000 2.354 212 L HA 0.668 5.008 4.340 0.000 0.000 0.269 212 L C -1.096 175.199 176.870 -0.959 0.000 1.005 212 L CA -0.670 53.690 54.840 -0.801 0.000 0.819 212 L CB 1.973 43.825 42.059 -0.346 0.000 1.311 212 L HN 0.415 nan 8.230 nan 0.000 0.423 213 W N 1.842 123.182 121.300 0.067 0.000 2.835 213 W HA 0.201 4.861 4.660 0.000 0.000 0.326 213 W C -1.322 175.419 176.519 0.369 0.000 1.024 213 W CA -1.057 56.453 57.345 0.275 0.000 1.267 213 W CB 1.232 30.890 29.460 0.332 0.000 1.267 213 W HN 0.488 nan 8.180 nan 0.000 0.412 214 W N 2.723 124.247 121.300 0.374 0.000 2.238 214 W HA 0.260 4.920 4.660 0.000 0.000 0.321 214 W C 1.310 177.675 176.519 -0.258 0.000 1.293 214 W CA 0.433 57.852 57.345 0.122 0.000 1.204 214 W CB 0.927 30.427 29.460 0.066 0.000 1.167 214 W HN 0.164 nan 8.180 nan 0.000 0.553 215 S N 3.408 118.804 115.700 -0.507 0.000 2.624 215 S HA 0.485 4.955 4.470 0.000 0.000 0.263 215 S C -2.417 171.899 174.600 -0.473 0.000 1.287 215 S CA -1.414 55.848 58.200 -1.564 0.000 0.990 215 S CB 0.872 63.065 63.200 -1.678 0.000 0.950 215 S HN 0.154 nan 8.310 nan 0.000 0.561 216 P HA 0.321 nan 4.420 nan 0.000 0.274 216 P C -0.101 177.149 177.300 -0.085 0.000 1.237 216 P CA -0.152 62.898 63.100 -0.083 0.000 0.793 216 P CB 0.118 31.822 31.700 0.007 0.000 0.977 217 N N 0.272 118.939 118.700 -0.056 0.000 2.828 217 N HA -0.182 4.559 4.740 0.000 0.000 0.248 217 N C 0.834 176.289 175.510 -0.091 0.000 1.044 217 N CA 1.493 54.504 53.050 -0.064 0.000 0.851 217 N CB -1.967 36.498 38.487 -0.038 0.000 1.136 217 N HN 0.889 nan 8.380 nan 0.000 0.572 218 G N -0.671 108.080 108.800 -0.082 0.000 2.439 218 G HA2 -0.407 3.553 3.960 0.000 0.000 0.305 218 G HA3 -0.407 3.553 3.960 0.000 0.000 0.305 218 G C 1.101 176.025 174.900 0.040 0.000 0.966 218 G CA 1.686 46.782 45.100 -0.006 0.000 0.890 218 G HN 0.500 nan 8.290 nan 0.000 0.513 219 T N -0.674 113.823 114.554 -0.096 0.000 2.770 219 T HA 0.217 4.567 4.350 0.000 0.000 0.258 219 T C 0.977 175.476 174.700 -0.335 0.000 1.039 219 T CA 1.032 62.948 62.100 -0.307 0.000 1.143 219 T CB -0.024 68.486 68.868 -0.596 0.000 0.866 219 T HN 0.309 nan 8.240 nan 0.000 0.428 220 F N 0.314 120.279 119.950 0.025 0.000 2.440 220 F HA 0.649 5.176 4.527 0.000 0.000 0.328 220 F C -0.258 175.564 175.800 0.036 0.000 1.070 220 F CA -1.407 56.633 58.000 0.065 0.000 1.011 220 F CB 1.025 40.131 39.000 0.177 0.000 1.226 220 F HN -0.090 nan 8.300 nan 0.000 0.491 221 L N 2.056 123.404 121.223 0.208 0.000 2.446 221 L HA 0.780 5.120 4.340 0.000 0.000 0.268 221 L C -0.846 176.105 176.870 0.135 0.000 0.975 221 L CA -0.490 54.291 54.840 -0.099 0.000 0.848 221 L CB 0.922 42.643 42.059 -0.564 0.000 1.225 221 L HN 0.668 nan 8.230 nan 0.000 0.410 222 A N 4.461 127.446 122.820 0.275 0.000 2.306 222 A HA 0.866 5.186 4.320 0.000 0.000 0.330 222 A C -1.433 176.231 177.584 0.133 0.000 1.146 222 A CA -0.211 51.861 52.037 0.059 0.000 0.827 222 A CB 0.772 19.834 19.000 0.103 0.000 1.178 222 A HN 1.009 nan 8.150 nan 0.000 0.490 223 Y N -2.240 117.845 120.300 -0.358 0.000 2.641 223 Y HA 0.716 5.266 4.550 0.000 0.000 0.333 223 Y C -0.402 175.356 175.900 -0.237 0.000 1.174 223 Y CA -0.838 57.165 58.100 -0.160 0.000 1.057 223 Y CB 0.703 39.041 38.460 -0.204 0.000 1.322 223 Y HN 0.971 nan 8.280 nan 0.000 0.457 224 A N 2.119 125.014 122.820 0.125 0.000 2.294 224 A HA 0.706 5.026 4.320 0.000 0.000 0.330 224 A C -1.116 176.370 177.584 -0.163 0.000 1.133 224 A CA -0.815 51.163 52.037 -0.100 0.000 0.836 224 A CB 1.708 20.637 19.000 -0.118 0.000 1.190 224 A HN 0.809 nan 8.150 nan 0.000 0.492 225 Q N 0.927 120.517 119.800 -0.350 0.000 2.321 225 Q HA 0.605 4.945 4.340 0.000 0.000 0.270 225 Q C -2.088 173.654 176.000 -0.429 0.000 1.032 225 Q CA -0.333 55.386 55.803 -0.142 0.000 0.784 225 Q CB 1.127 29.993 28.738 0.214 0.000 1.264 225 Q HN 0.611 nan 8.270 nan 0.000 0.448 226 F N 2.093 122.132 119.950 0.147 0.000 2.480 226 F HA 0.450 4.977 4.527 0.000 0.000 0.329 226 F C 0.424 176.344 175.800 0.200 0.000 1.091 226 F CA -0.919 57.124 58.000 0.072 0.000 0.972 226 F CB 1.523 40.453 39.000 -0.117 0.000 1.150 226 F HN 0.423 nan 8.300 nan 0.000 0.467 227 N N 1.838 120.728 118.700 0.318 0.000 2.479 227 N HA 0.176 4.917 4.740 0.000 0.000 0.261 227 N C -0.702 174.961 175.510 0.255 0.000 0.979 227 N CA -0.227 52.986 53.050 0.273 0.000 0.930 227 N CB 1.169 39.764 38.487 0.180 0.000 1.172 227 N HN 0.578 nan 8.380 nan 0.000 0.499 228 D N 1.842 122.422 120.400 0.300 0.000 2.342 228 D HA 0.073 4.713 4.640 0.000 0.000 0.221 228 D C 1.224 177.641 176.300 0.195 0.000 1.101 228 D CA 0.221 54.369 54.000 0.248 0.000 0.837 228 D CB 0.446 41.443 40.800 0.328 0.000 0.938 228 D HN 0.510 nan 8.370 nan 0.000 0.508 229 T N -0.151 114.504 114.554 0.169 0.000 2.564 229 T HA -0.215 4.136 4.350 0.000 0.000 0.264 229 T C 1.823 176.588 174.700 0.108 0.000 1.100 229 T CA 1.972 64.149 62.100 0.128 0.000 1.171 229 T CB -0.419 68.511 68.868 0.103 0.000 0.863 229 T HN 0.343 nan 8.240 nan 0.000 0.430 230 G N 0.584 109.441 108.800 0.095 0.000 2.920 230 G HA2 0.250 4.210 3.960 0.000 0.000 0.208 230 G HA3 0.250 4.210 3.960 0.000 0.000 0.208 230 G C 0.388 175.336 174.900 0.079 0.000 1.159 230 G CA -0.189 44.958 45.100 0.077 0.000 0.784 230 G HN 0.442 nan 8.290 nan 0.000 0.535 231 V N 2.315 122.288 119.914 0.098 0.000 2.521 231 V HA 0.142 4.262 4.120 0.000 0.000 0.286 231 V C -1.627 174.520 176.094 0.089 0.000 1.034 231 V CA -1.303 61.055 62.300 0.095 0.000 1.045 231 V CB 1.225 33.117 31.823 0.115 0.000 0.974 231 V HN 0.095 nan 8.190 nan 0.000 0.480 232 P HA 0.237 nan 4.420 nan 0.000 0.271 232 P C -0.605 176.710 177.300 0.024 0.000 1.233 232 P CA -0.192 62.932 63.100 0.039 0.000 0.789 232 P CB 0.521 32.236 31.700 0.025 0.000 0.951 233 L N 1.480 122.677 121.223 -0.044 0.000 2.334 233 L HA 0.619 4.959 4.340 0.000 0.000 0.272 233 L C 0.245 176.938 176.870 -0.295 0.000 1.020 233 L CA -1.025 53.739 54.840 -0.127 0.000 0.812 233 L CB 1.014 42.993 42.059 -0.133 0.000 1.264 233 L HN 0.300 nan 8.230 nan 0.000 0.439 234 I N -0.354 119.987 120.570 -0.381 0.000 2.740 234 I HA 0.772 4.942 4.170 0.000 0.000 0.303 234 I C -0.927 174.816 176.117 -0.623 0.000 1.044 234 I CA -0.567 60.415 61.300 -0.530 0.000 1.064 234 I CB 2.147 39.717 38.000 -0.717 0.000 1.249 234 I HN 0.612 nan 8.210 nan 0.000 0.433 235 E N 3.368 123.197 120.200 -0.619 0.000 2.356 235 E HA 0.683 5.033 4.350 0.000 0.000 0.275 235 E C -1.683 174.744 176.600 -0.289 0.000 0.904 235 E CA -0.760 55.288 56.400 -0.585 0.000 0.757 235 E CB 1.602 30.756 29.700 -0.909 0.000 1.232 235 E HN 0.694 nan 8.360 nan 0.000 0.442 236 Y N -0.649 119.530 120.300 -0.201 0.000 2.553 236 Y HA 0.802 5.353 4.550 0.000 0.000 0.347 236 Y C -0.633 175.231 175.900 -0.060 0.000 1.019 236 Y CA -1.375 56.646 58.100 -0.132 0.000 1.032 236 Y CB 1.494 39.897 38.460 -0.095 0.000 1.284 236 Y HN 0.435 nan 8.280 nan 0.000 0.466 237 S N 2.310 118.058 115.700 0.081 0.000 2.601 237 S HA 0.516 4.986 4.470 0.000 0.000 0.271 237 S C -1.471 173.086 174.600 -0.071 0.000 1.305 237 S CA -0.378 57.751 58.200 -0.118 0.000 1.022 237 S CB 0.568 63.557 63.200 -0.350 0.000 0.940 237 S HN 0.562 nan 8.310 nan 0.000 0.525 238 F N 1.698 121.427 119.950 -0.367 0.000 2.539 238 F HA 0.431 4.958 4.527 0.000 0.000 0.328 238 F C -0.359 175.214 175.800 -0.378 0.000 1.148 238 F CA -1.030 56.834 58.000 -0.228 0.000 0.940 238 F CB 0.771 39.785 39.000 0.023 0.000 1.194 238 F HN 0.642 nan 8.300 nan 0.000 0.438 239 Y N 2.692 122.757 120.300 -0.392 0.000 2.420 239 Y HA 0.087 4.637 4.550 0.000 0.000 0.292 239 Y C 1.798 177.551 175.900 -0.246 0.000 1.119 239 Y CA 1.140 59.092 58.100 -0.247 0.000 1.229 239 Y CB -0.622 37.710 38.460 -0.213 0.000 1.026 239 Y HN 0.723 nan 8.280 nan 0.000 0.554 240 S N -0.087 115.355 115.700 -0.430 0.000 3.160 240 S HA -0.244 4.226 4.470 0.000 0.000 0.634 240 S C -0.357 174.244 174.600 0.002 0.000 2.861 240 S CA 0.345 58.480 58.200 -0.109 0.000 3.097 240 S CB -1.171 62.139 63.200 0.183 0.000 0.331 240 S HN 0.484 nan 8.310 nan 0.000 1.767 241 D N 2.047 122.486 120.400 0.065 0.000 2.443 241 D HA 0.069 4.709 4.640 0.000 0.000 0.234 241 D C 1.490 177.815 176.300 0.042 0.000 1.172 241 D CA 0.820 54.853 54.000 0.054 0.000 0.878 241 D CB 0.173 41.012 40.800 0.065 0.000 1.204 241 D HN 0.719 nan 8.370 nan 0.000 0.453 242 E N -0.455 119.762 120.200 0.028 0.000 2.472 242 E HA -0.137 4.214 4.350 0.000 0.000 0.200 242 E C 1.119 177.731 176.600 0.021 0.000 1.046 242 E CA 0.594 57.005 56.400 0.018 0.000 0.871 242 E CB -0.039 29.664 29.700 0.005 0.000 0.806 242 E HN 0.305 nan 8.360 nan 0.000 0.533 243 S N 0.568 116.287 115.700 0.032 0.000 2.470 243 S HA -0.029 4.441 4.470 0.000 0.000 0.225 243 S C 0.910 175.536 174.600 0.042 0.000 1.006 243 S CA -0.319 57.901 58.200 0.033 0.000 0.934 243 S CB -0.236 62.986 63.200 0.037 0.000 0.778 243 S HN 0.279 nan 8.310 nan 0.000 0.517 244 L N 2.987 124.244 121.223 0.056 0.000 2.485 244 L HA 0.264 4.605 4.340 0.000 0.000 0.279 244 L C 1.456 178.361 176.870 0.058 0.000 1.124 244 L CA 0.159 55.043 54.840 0.074 0.000 0.888 244 L CB 0.349 42.464 42.059 0.094 0.000 1.217 244 L HN 0.309 nan 8.230 nan 0.000 0.464 245 Q N 4.056 123.892 119.800 0.059 0.000 2.084 245 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 245 Q C -0.513 175.410 176.000 -0.129 0.000 0.978 245 Q CA 1.470 57.256 55.803 -0.028 0.000 0.844 245 Q CB 0.104 28.844 28.738 0.004 0.000 0.898 245 Q HN 0.673 nan 8.270 nan 0.000 0.426 246 Y N 1.302 121.619 120.300 0.029 0.000 2.328 246 Y HA 0.382 4.932 4.550 0.000 0.000 0.333 246 Y C -2.043 173.870 175.900 0.023 0.000 0.958 246 Y CA -2.997 55.118 58.100 0.024 0.000 1.167 246 Y CB 1.297 39.763 38.460 0.011 0.000 1.151 246 Y HN 0.185 nan 8.280 nan 0.000 0.470 247 P HA 0.020 nan 4.420 nan 0.000 0.267 247 P C -0.453 176.869 177.300 0.037 0.000 1.200 247 P CA -0.243 62.876 63.100 0.033 0.000 0.772 247 P CB 1.081 32.718 31.700 -0.104 0.000 0.855 248 K N 1.231 121.656 120.400 0.042 0.000 2.140 248 K HA 0.394 4.714 4.320 0.000 0.000 0.237 248 K C 0.205 176.817 176.600 0.021 0.000 1.045 248 K CA 0.025 56.344 56.287 0.054 0.000 0.896 248 K CB 0.055 32.618 32.500 0.105 0.000 1.122 248 K HN 0.413 nan 8.250 nan 0.000 0.503 249 T N 0.267 114.835 114.554 0.023 0.000 2.949 249 T HA 0.288 4.638 4.350 0.000 0.000 0.300 249 T C -0.582 174.164 174.700 0.076 0.000 0.988 249 T CA -0.724 61.417 62.100 0.068 0.000 0.993 249 T CB 1.335 70.329 68.868 0.210 0.000 0.984 249 T HN 0.131 nan 8.240 nan 0.000 0.442 250 V N 3.617 123.452 119.914 -0.132 0.000 2.407 250 V HA 0.447 4.567 4.120 0.000 0.000 0.278 250 V C -0.850 175.223 176.094 -0.035 0.000 1.037 250 V CA -0.766 61.407 62.300 -0.213 0.000 0.900 250 V CB 0.708 32.078 31.823 -0.755 0.000 0.983 250 V HN 0.782 nan 8.190 nan 0.000 0.459 251 W N 5.408 126.587 121.300 -0.201 0.000 2.478 251 W HA 0.782 5.442 4.660 0.000 0.000 0.318 251 W C -0.342 176.154 176.519 -0.038 0.000 1.062 251 W CA -0.970 56.297 57.345 -0.130 0.000 1.210 251 W CB 1.186 30.601 29.460 -0.076 0.000 1.325 251 W HN 0.316 nan 8.180 nan 0.000 0.496 252 I N 5.395 125.997 120.570 0.054 0.000 2.571 252 I HA 0.239 4.409 4.170 0.000 0.000 0.289 252 I C -2.235 173.920 176.117 0.064 0.000 1.115 252 I CA -2.390 58.965 61.300 0.090 0.000 1.045 252 I CB 2.755 40.706 38.000 -0.081 0.000 1.238 252 I HN 0.023 nan 8.210 nan 0.000 0.424 253 P HA 0.049 nan 4.420 nan 0.000 0.275 253 P C -1.456 175.921 177.300 0.129 0.000 1.276 253 P CA 0.235 63.428 63.100 0.155 0.000 0.782 253 P CB 0.111 31.945 31.700 0.224 0.000 0.851 254 Y N 6.879 127.126 120.300 -0.088 0.000 2.327 254 Y HA 0.383 4.933 4.550 0.000 0.000 0.325 254 Y C -2.447 173.409 175.900 -0.072 0.000 0.999 254 Y CA -2.722 55.280 58.100 -0.163 0.000 1.195 254 Y CB 2.381 40.634 38.460 -0.345 0.000 1.132 254 Y HN 0.257 nan 8.280 nan 0.000 0.455 255 P HA 0.228 nan 4.420 nan 0.000 0.291 255 P C -1.208 176.117 177.300 0.042 0.000 1.340 255 P CA -0.281 62.836 63.100 0.028 0.000 0.799 255 P CB 1.501 33.208 31.700 0.012 0.000 0.917 256 K N 2.020 122.536 120.400 0.193 0.000 2.102 256 K HA 0.503 4.823 4.320 0.000 0.000 0.244 256 K C 0.565 177.261 176.600 0.159 0.000 1.021 256 K CA -0.738 55.688 56.287 0.232 0.000 0.913 256 K CB 0.502 33.155 32.500 0.254 0.000 1.062 256 K HN 0.450 nan 8.250 nan 0.000 0.485 257 A N 0.757 123.703 122.820 0.210 0.000 2.591 257 A HA 0.207 4.527 4.320 0.000 0.000 0.244 257 A C 1.244 178.867 177.584 0.065 0.000 1.031 257 A CA 1.122 53.268 52.037 0.182 0.000 0.767 257 A CB -1.350 17.840 19.000 0.317 0.000 0.942 257 A HN 0.920 nan 8.150 nan 0.000 0.514 258 G N 0.978 109.803 108.800 0.041 0.000 2.184 258 G HA2 0.089 4.049 3.960 0.000 0.000 0.264 258 G HA3 0.089 4.049 3.960 0.000 0.000 0.264 258 G C 0.710 175.619 174.900 0.014 0.000 0.975 258 G CA 0.903 46.002 45.100 -0.001 0.000 0.642 258 G HN 2.252 nan 8.290 nan 0.000 0.536 259 A N -0.474 122.370 122.820 0.039 0.000 2.280 259 A HA 0.708 5.028 4.320 0.000 0.000 0.268 259 A C 0.880 178.486 177.584 0.036 0.000 1.111 259 A CA 0.322 52.384 52.037 0.041 0.000 0.814 259 A CB 0.675 19.712 19.000 0.061 0.000 1.093 259 A HN 1.138 nan 8.150 nan 0.000 0.498 260 V N 2.610 122.546 119.914 0.037 0.000 2.485 260 V HA 0.016 4.136 4.120 0.000 0.000 0.287 260 V C 0.393 176.518 176.094 0.051 0.000 1.022 260 V CA -0.027 62.294 62.300 0.036 0.000 1.067 260 V CB -0.148 31.698 31.823 0.039 0.000 0.967 260 V HN 0.819 nan 8.190 nan 0.000 0.479 261 N N 6.730 125.457 118.700 0.045 0.000 2.434 261 N HA 0.475 5.215 4.740 0.000 0.000 0.266 261 N C -2.236 173.336 175.510 0.104 0.000 1.223 261 N CA -1.367 51.730 53.050 0.079 0.000 0.972 261 N CB 1.064 39.591 38.487 0.066 0.000 1.207 261 N HN 0.384 nan 8.380 nan 0.000 0.525 262 P HA 0.129 nan 4.420 nan 0.000 0.275 262 P C -0.536 176.879 177.300 0.191 0.000 1.266 262 P CA -0.100 63.119 63.100 0.198 0.000 0.793 262 P CB 0.377 32.223 31.700 0.243 0.000 1.074 263 T N -2.717 111.941 114.554 0.173 0.000 2.932 263 T HA 0.648 4.998 4.350 0.000 0.000 0.289 263 T C -0.145 174.629 174.700 0.123 0.000 1.039 263 T CA -0.714 61.447 62.100 0.102 0.000 1.024 263 T CB 1.082 69.985 68.868 0.058 0.000 1.090 263 T HN 0.243 nan 8.240 nan 0.000 0.496 264 V N 0.225 120.179 119.914 0.066 0.000 3.001 264 V HA 0.770 4.891 4.120 0.000 0.000 0.314 264 V C -0.452 175.652 176.094 0.017 0.000 1.099 264 V CA -1.134 61.156 62.300 -0.016 0.000 0.989 264 V CB 1.813 33.693 31.823 0.095 0.000 1.040 264 V HN 0.991 nan 8.190 nan 0.000 0.434 265 K N 1.425 121.772 120.400 -0.090 0.000 2.523 265 K HA 0.603 4.923 4.320 0.000 0.000 0.257 265 K C -2.044 174.387 176.600 -0.282 0.000 0.932 265 K CA -0.511 55.677 56.287 -0.164 0.000 0.812 265 K CB 2.913 35.317 32.500 -0.161 0.000 1.326 265 K HN 0.581 nan 8.250 nan 0.000 0.433 266 F N 2.854 122.448 119.950 -0.593 0.000 2.482 266 F HA 0.573 5.100 4.527 0.000 0.000 0.331 266 F C -1.348 173.875 175.800 -0.960 0.000 1.115 266 F CA -0.631 57.019 58.000 -0.584 0.000 0.955 266 F CB 0.758 39.588 39.000 -0.283 0.000 1.136 266 F HN 0.377 nan 8.300 nan 0.000 0.452 267 F N 5.433 124.627 119.950 -1.260 0.000 2.603 267 F HA 0.700 5.227 4.527 0.000 0.000 0.317 267 F C -0.715 174.430 175.800 -1.092 0.000 1.066 267 F CA -0.995 56.373 58.000 -1.053 0.000 0.941 267 F CB 2.013 40.306 39.000 -1.178 0.000 1.291 267 F HN 0.108 nan 8.300 nan 0.000 0.472 268 I N 2.558 122.918 120.570 -0.350 0.000 2.512 268 I HA 0.411 4.581 4.170 0.000 0.000 0.287 268 I C -1.416 174.771 176.117 0.116 0.000 1.069 268 I CA -0.883 60.298 61.300 -0.198 0.000 1.056 268 I CB 2.069 39.779 38.000 -0.484 0.000 1.229 268 I HN 0.306 nan 8.210 nan 0.000 0.429 269 V N 6.553 126.597 119.914 0.218 0.000 2.581 269 V HA 0.447 4.567 4.120 0.000 0.000 0.303 269 V C -0.356 175.914 176.094 0.293 0.000 1.041 269 V CA -0.474 61.969 62.300 0.240 0.000 0.907 269 V CB 2.058 33.977 31.823 0.159 0.000 0.994 269 V HN 0.773 nan 8.190 nan 0.000 0.442 270 N N 4.004 122.865 118.700 0.269 0.000 2.420 270 N HA 0.150 4.890 4.740 0.000 0.000 0.262 270 N C 0.777 176.295 175.510 0.014 0.000 1.144 270 N CA 0.456 53.585 53.050 0.131 0.000 0.952 270 N CB 1.677 40.234 38.487 0.117 0.000 1.081 270 N HN 0.804 nan 8.380 nan 0.000 0.480 271 T N 1.843 116.382 114.554 -0.026 0.000 2.985 271 T HA -0.035 4.315 4.350 0.000 0.000 0.266 271 T C 0.549 175.223 174.700 -0.042 0.000 1.076 271 T CA 0.737 62.840 62.100 0.005 0.000 1.135 271 T CB 0.085 69.042 68.868 0.150 0.000 0.890 271 T HN 0.512 nan 8.240 nan 0.000 0.480 272 D N 1.370 121.718 120.400 -0.086 0.000 2.378 272 D HA -0.025 4.616 4.640 0.000 0.000 0.222 272 D C 2.065 178.324 176.300 -0.068 0.000 0.980 272 D CA 0.668 54.619 54.000 -0.082 0.000 0.907 272 D CB -0.100 40.635 40.800 -0.108 0.000 0.899 272 D HN 0.528 nan 8.370 nan 0.000 0.527 273 S N -0.635 115.025 115.700 -0.068 0.000 2.511 273 S HA 0.089 4.559 4.470 0.000 0.000 0.214 273 S C 2.038 176.577 174.600 -0.101 0.000 0.997 273 S CA -0.311 57.854 58.200 -0.058 0.000 0.908 273 S CB -0.249 62.938 63.200 -0.022 0.000 0.803 273 S HN 0.154 nan 8.310 nan 0.000 0.504 274 L N 2.729 123.844 121.223 -0.181 0.000 2.137 274 L HA -0.169 4.171 4.340 0.000 0.000 0.213 274 L C 2.896 179.534 176.870 -0.388 0.000 1.085 274 L CA 1.630 56.244 54.840 -0.377 0.000 0.760 274 L CB -1.265 40.392 42.059 -0.670 0.000 0.893 274 L HN 0.568 nan 8.230 nan 0.000 0.434 275 S N -1.007 114.561 115.700 -0.220 0.000 2.447 275 S HA -0.099 4.371 4.470 0.000 0.000 0.233 275 S C 1.704 176.304 174.600 0.000 0.000 1.006 275 S CA 0.851 59.019 58.200 -0.053 0.000 0.957 275 S CB -0.325 62.871 63.200 -0.007 0.000 0.773 275 S HN 0.548 nan 8.310 nan 0.000 0.507 276 S N 0.011 115.698 115.700 -0.022 0.000 2.575 276 S HA 0.434 4.904 4.470 0.000 0.000 0.237 276 S C 0.069 174.673 174.600 0.007 0.000 0.975 276 S CA -0.527 57.674 58.200 0.002 0.000 0.960 276 S CB 0.061 63.261 63.200 -0.000 0.000 0.822 276 S HN 0.383 nan 8.310 nan 0.000 0.472 277 T N 0.614 115.172 114.554 0.007 0.000 2.821 277 T HA 0.411 4.761 4.350 0.000 0.000 0.306 277 T C 0.956 175.680 174.700 0.039 0.000 1.313 277 T CA -0.211 61.898 62.100 0.016 0.000 1.012 277 T CB 1.554 70.424 68.868 0.004 0.000 1.298 277 T HN 0.194 nan 8.240 nan 0.000 0.502 278 T N -1.605 112.972 114.554 0.038 0.000 3.009 278 T HA 0.221 4.571 4.350 0.000 0.000 0.258 278 T C 0.602 175.328 174.700 0.044 0.000 1.063 278 T CA 0.449 62.580 62.100 0.052 0.000 1.139 278 T CB 0.011 68.899 68.868 0.035 0.000 0.890 278 T HN 0.614 nan 8.240 nan 0.000 0.471 279 T N 1.356 115.921 114.554 0.020 0.000 2.933 279 T HA 0.569 4.919 4.350 0.000 0.000 0.305 279 T C -1.017 173.680 174.700 -0.005 0.000 1.092 279 T CA -0.651 61.449 62.100 0.001 0.000 1.008 279 T CB 2.157 71.019 68.868 -0.010 0.000 1.102 279 T HN 0.069 nan 8.240 nan 0.000 0.469 280 T N 2.034 116.578 114.554 -0.016 0.000 2.925 280 T HA 0.616 4.966 4.350 0.000 0.000 0.285 280 T C -0.070 174.632 174.700 0.003 0.000 1.021 280 T CA -0.568 61.530 62.100 -0.002 0.000 1.042 280 T CB 0.641 69.506 68.868 -0.006 0.000 1.037 280 T HN 0.435 nan 8.240 nan 0.000 0.481 281 I N 4.950 125.539 120.570 0.033 0.000 2.307 281 I HA 0.259 4.429 4.170 0.000 0.000 0.287 281 I C -1.741 174.423 176.117 0.079 0.000 1.054 281 I CA -2.065 59.258 61.300 0.038 0.000 1.218 281 I CB 1.076 39.106 38.000 0.050 0.000 1.398 281 I HN 0.375 nan 8.210 nan 0.000 0.475 282 P HA 0.060 nan 4.420 nan 0.000 0.266 282 P C -0.781 176.642 177.300 0.207 0.000 1.195 282 P CA -0.097 63.077 63.100 0.123 0.000 0.768 282 P CB 0.666 32.393 31.700 0.044 0.000 0.838 283 M N 1.035 120.787 119.600 0.254 0.000 2.233 283 M HA 0.426 4.906 4.480 0.000 0.000 0.355 283 M C 0.108 176.540 176.300 0.221 0.000 1.191 283 M CA -0.799 54.663 55.300 0.271 0.000 1.101 283 M CB 1.385 34.199 32.600 0.357 0.000 1.592 283 M HN 0.332 nan 8.290 nan 0.000 0.461 284 Q N 2.864 122.761 119.800 0.161 0.000 2.222 284 Q HA 0.673 5.013 4.340 0.000 0.000 0.252 284 Q C -1.764 174.178 176.000 -0.098 0.000 0.926 284 Q CA -0.605 55.117 55.803 -0.134 0.000 0.899 284 Q CB 1.729 30.322 28.738 -0.242 0.000 1.250 284 Q HN 0.901 nan 8.270 nan 0.000 0.441 285 I N 2.942 123.420 120.570 -0.153 0.000 2.404 285 I HA 0.303 4.474 4.170 0.000 0.000 0.293 285 I C -0.271 175.798 176.117 -0.080 0.000 0.992 285 I CA -0.858 60.422 61.300 -0.033 0.000 1.149 285 I CB 2.057 40.089 38.000 0.054 0.000 1.315 285 I HN 0.769 nan 8.210 nan 0.000 0.446 286 T N 2.922 117.405 114.554 -0.119 0.000 2.824 286 T HA 0.705 5.055 4.350 0.000 0.000 0.280 286 T C 0.154 174.612 174.700 -0.404 0.000 0.995 286 T CA -0.795 61.173 62.100 -0.220 0.000 1.009 286 T CB 1.651 70.408 68.868 -0.185 0.000 0.955 286 T HN 0.659 nan 8.240 nan 0.000 0.452 287 A N 5.042 127.391 122.820 -0.786 0.000 2.536 287 A HA 0.442 4.762 4.320 0.000 0.000 0.234 287 A C -1.715 175.355 177.584 -0.857 0.000 1.076 287 A CA -0.992 50.137 52.037 -1.514 0.000 0.769 287 A CB -0.789 16.942 19.000 -2.115 0.000 1.020 287 A HN 0.813 nan 8.150 nan 0.000 0.508 288 P HA 0.168 nan 4.420 nan 0.000 0.269 288 P C 0.763 177.850 177.300 -0.354 0.000 1.209 288 P CA 0.574 63.430 63.100 -0.406 0.000 0.776 288 P CB 0.859 32.400 31.700 -0.266 0.000 0.876 289 A N 3.366 126.042 122.820 -0.239 0.000 1.927 289 A HA -0.213 4.107 4.320 0.000 0.000 0.220 289 A C 1.985 179.454 177.584 -0.192 0.000 1.185 289 A CA 2.410 54.326 52.037 -0.202 0.000 0.639 289 A CB -1.738 17.178 19.000 -0.141 0.000 0.820 289 A HN 0.666 nan 8.150 nan 0.000 0.451 290 S N -1.452 114.160 115.700 -0.147 0.000 2.723 290 S HA 0.187 4.657 4.470 0.000 0.000 0.231 290 S C 0.949 175.443 174.600 -0.176 0.000 0.967 290 S CA 0.884 58.999 58.200 -0.143 0.000 0.958 290 S CB 0.184 63.373 63.200 -0.018 0.000 0.778 290 S HN 0.280 nan 8.310 nan 0.000 0.537 291 V N 0.124 119.901 119.914 -0.227 0.000 3.305 291 V HA 0.019 4.139 4.120 0.000 0.000 0.247 291 V C 2.123 177.946 176.094 -0.452 0.000 1.426 291 V CA 1.032 63.166 62.300 -0.276 0.000 1.162 291 V CB -0.115 31.531 31.823 -0.295 0.000 0.961 291 V HN 0.453 nan 8.190 nan 0.000 0.449 292 T N 0.511 114.784 114.554 -0.468 0.000 2.881 292 T HA -0.175 4.175 4.350 0.000 0.000 0.270 292 T C 1.877 176.475 174.700 -0.170 0.000 1.068 292 T CA 2.077 63.943 62.100 -0.391 0.000 1.131 292 T CB -0.273 68.415 68.868 -0.300 0.000 0.871 292 T HN 0.521 nan 8.240 nan 0.000 0.479 293 T N 0.724 115.189 114.554 -0.148 0.000 2.737 293 T HA 0.056 4.406 4.350 0.000 0.000 0.269 293 T C 1.184 175.856 174.700 -0.047 0.000 1.040 293 T CA 1.278 63.323 62.100 -0.092 0.000 1.142 293 T CB -0.287 68.519 68.868 -0.104 0.000 0.861 293 T HN 0.592 nan 8.240 nan 0.000 0.456 294 G N -0.038 108.749 108.800 -0.021 0.000 2.975 294 G HA2 0.489 4.450 3.960 0.000 0.000 0.291 294 G HA3 0.489 4.450 3.960 0.000 0.000 0.291 294 G C -1.795 173.156 174.900 0.085 0.000 1.334 294 G CA -0.788 44.318 45.100 0.011 0.000 0.843 294 G HN 0.012 nan 8.290 nan 0.000 0.548 295 D N 1.265 121.667 120.400 0.003 0.000 2.506 295 D HA 0.289 4.929 4.640 0.000 0.000 0.234 295 D C 0.342 176.592 176.300 -0.082 0.000 1.143 295 D CA 0.961 54.906 54.000 -0.091 0.000 0.871 295 D CB 0.344 41.048 40.800 -0.159 0.000 1.190 295 D HN 0.578 nan 8.370 nan 0.000 0.459 296 H N -0.972 117.942 119.070 -0.261 0.000 2.918 296 H HA 0.445 5.001 4.556 0.000 0.000 0.303 296 H C -1.382 173.799 175.328 -0.244 0.000 1.380 296 H CA -0.831 55.074 56.048 -0.238 0.000 1.134 296 H CB 0.454 30.208 29.762 -0.014 0.000 1.842 296 H HN 0.374 nan 8.280 nan 0.000 0.533 297 Y N -0.140 120.368 120.300 0.346 0.000 2.581 297 Y HA 0.402 4.952 4.550 0.000 0.000 0.345 297 Y C -0.471 175.678 175.900 0.415 0.000 1.036 297 Y CA -1.273 57.025 58.100 0.329 0.000 1.042 297 Y CB 2.056 40.541 38.460 0.041 0.000 1.289 297 Y HN 0.443 nan 8.280 nan 0.000 0.471 298 L N 1.261 122.805 121.223 0.536 0.000 2.260 298 L HA 0.368 4.708 4.340 0.000 0.000 0.289 298 L C 0.077 176.919 176.870 -0.046 0.000 1.057 298 L CA 0.147 54.955 54.840 -0.054 0.000 0.811 298 L CB 0.609 42.642 42.059 -0.043 0.000 1.184 298 L HN 1.019 nan 8.230 nan 0.000 0.429 299 C N 3.263 122.417 119.300 -0.242 0.000 2.544 299 C HA 0.209 4.670 4.460 0.000 0.000 0.280 299 C C 0.677 175.539 174.990 -0.213 0.000 1.295 299 C CA 0.817 59.689 59.018 -0.242 0.000 1.702 299 C CB -0.638 27.002 27.740 -0.166 0.000 2.090 299 C HN 1.027 nan 8.230 nan 0.000 0.493 300 D N -2.306 117.982 120.400 -0.188 0.000 2.663 300 D HA 0.451 5.092 4.640 0.000 0.000 0.233 300 D C -1.607 174.451 176.300 -0.403 0.000 1.240 300 D CA -0.331 53.630 54.000 -0.063 0.000 0.774 300 D CB 1.407 42.162 40.800 -0.075 0.000 1.443 300 D HN -0.030 nan 8.370 nan 0.000 0.441 301 V N 1.016 120.605 119.914 -0.542 0.000 2.540 301 V HA 0.895 5.015 4.120 0.000 0.000 0.302 301 V C -0.498 175.193 176.094 -0.672 0.000 1.035 301 V CA -0.445 61.268 62.300 -0.979 0.000 0.873 301 V CB 1.277 31.879 31.823 -2.034 0.000 0.992 301 V HN 0.840 nan 8.190 nan 0.000 0.428 302 A N 4.115 126.593 122.820 -0.570 0.000 2.446 302 A HA 0.613 4.934 4.320 0.000 0.000 0.282 302 A C -1.337 176.078 177.584 -0.282 0.000 1.102 302 A CA -0.536 51.324 52.037 -0.296 0.000 0.737 302 A CB 0.543 19.434 19.000 -0.182 0.000 1.212 302 A HN 0.801 nan 8.150 nan 0.000 0.434 303 W N 2.994 124.222 121.300 -0.119 0.000 2.368 303 W HA 0.328 4.988 4.660 0.000 0.000 0.316 303 W C 1.050 177.499 176.519 -0.116 0.000 1.375 303 W CA 0.119 57.414 57.345 -0.083 0.000 1.261 303 W CB 1.134 30.624 29.460 0.051 0.000 1.298 303 W HN 0.506 nan 8.180 nan 0.000 0.539 304 V N 2.615 122.538 119.914 0.015 0.000 2.341 304 V HA -0.055 4.065 4.120 0.000 0.000 0.240 304 V C 1.036 177.173 176.094 0.072 0.000 1.035 304 V CA 1.718 63.900 62.300 -0.196 0.000 1.033 304 V CB -0.262 31.163 31.823 -0.664 0.000 0.678 304 V HN 0.604 nan 8.190 nan 0.000 0.464 305 S N -1.359 114.449 115.700 0.180 0.000 2.819 305 S HA 0.382 4.852 4.470 0.000 0.000 0.299 305 S C 0.537 175.313 174.600 0.294 0.000 1.192 305 S CA 0.096 58.416 58.200 0.201 0.000 0.847 305 S CB 1.813 65.108 63.200 0.158 0.000 1.224 305 S HN 0.144 nan 8.310 nan 0.000 0.537 306 E N 0.152 120.485 120.200 0.221 0.000 2.268 306 E HA -0.026 4.324 4.350 0.000 0.000 0.195 306 E C 0.113 176.993 176.600 0.467 0.000 0.995 306 E CA 1.453 58.002 56.400 0.247 0.000 0.836 306 E CB -0.071 29.731 29.700 0.170 0.000 0.763 306 E HN 0.583 nan 8.360 nan 0.000 0.491 307 D N -0.337 120.303 120.400 0.399 0.000 2.501 307 D HA 0.138 4.778 4.640 0.000 0.000 0.224 307 D C -0.327 176.212 176.300 0.398 0.000 1.202 307 D CA -0.012 54.206 54.000 0.362 0.000 0.829 307 D CB 0.494 41.435 40.800 0.235 0.000 1.023 307 D HN -0.008 nan 8.370 nan 0.000 0.499 308 R N 1.023 121.812 120.500 0.482 0.000 2.548 308 R HA 0.577 4.917 4.340 0.000 0.000 0.280 308 R C -1.923 174.485 176.300 0.180 0.000 1.061 308 R CA -0.545 55.732 56.100 0.295 0.000 0.915 308 R CB 1.878 32.234 30.300 0.094 0.000 1.210 308 R HN -0.011 nan 8.270 nan 0.000 0.442 309 I N 1.926 122.446 120.570 -0.084 0.000 2.769 309 I HA 0.413 4.583 4.170 0.000 0.000 0.298 309 I C -1.340 174.495 176.117 -0.471 0.000 1.128 309 I CA -0.502 60.502 61.300 -0.494 0.000 1.031 309 I CB 2.471 39.768 38.000 -1.171 0.000 1.235 309 I HN 0.651 nan 8.210 nan 0.000 0.423 310 S N 7.310 122.689 115.700 -0.534 0.000 2.456 310 S HA 0.707 5.177 4.470 0.000 0.000 0.316 310 S C -1.127 173.154 174.600 -0.532 0.000 1.089 310 S CA -0.580 57.360 58.200 -0.433 0.000 1.101 310 S CB 0.609 63.615 63.200 -0.323 0.000 0.995 310 S HN 0.493 nan 8.310 nan 0.000 0.468 311 L N 4.512 125.444 121.223 -0.484 0.000 2.365 311 L HA 0.573 4.913 4.340 0.000 0.000 0.273 311 L C -0.214 176.365 176.870 -0.485 0.000 1.000 311 L CA -0.683 53.766 54.840 -0.652 0.000 0.819 311 L CB 2.042 43.652 42.059 -0.749 0.000 1.284 311 L HN 0.555 nan 8.230 nan 0.000 0.418 312 Q N 1.985 121.429 119.800 -0.594 0.000 2.316 312 Q HA 0.428 4.768 4.340 0.000 0.000 0.264 312 Q C -1.670 174.042 176.000 -0.480 0.000 0.987 312 Q CA -0.583 55.003 55.803 -0.362 0.000 0.852 312 Q CB 2.568 31.159 28.738 -0.246 0.000 1.287 312 Q HN 0.454 nan 8.270 nan 0.000 0.448 313 W N 2.067 123.325 121.300 -0.070 0.000 2.799 313 W HA 0.654 5.314 4.660 0.000 0.000 0.349 313 W C -0.877 175.678 176.519 0.059 0.000 1.100 313 W CA -0.631 56.722 57.345 0.013 0.000 1.174 313 W CB 1.163 30.621 29.460 -0.003 0.000 1.427 313 W HN 0.392 nan 8.180 nan 0.000 0.547 314 L N 1.961 123.422 121.223 0.396 0.000 2.464 314 L HA 0.554 4.894 4.340 0.000 0.000 0.266 314 L C -0.309 176.779 176.870 0.362 0.000 0.965 314 L CA -1.032 54.000 54.840 0.319 0.000 0.833 314 L CB 1.510 43.717 42.059 0.247 0.000 1.296 314 L HN 0.419 nan 8.230 nan 0.000 0.405 315 R N 2.305 122.983 120.500 0.296 0.000 2.679 315 R HA 0.277 4.617 4.340 0.000 0.000 0.269 315 R C 0.959 177.343 176.300 0.140 0.000 1.076 315 R CA -0.275 55.939 56.100 0.191 0.000 1.160 315 R CB 0.589 30.976 30.300 0.144 0.000 1.054 315 R HN 0.633 nan 8.270 nan 0.000 0.507 316 R N 1.117 121.604 120.500 -0.022 0.000 2.117 316 R HA -0.106 4.235 4.340 0.000 0.000 0.243 316 R C 0.420 176.786 176.300 0.110 0.000 1.143 316 R CA 1.330 57.402 56.100 -0.047 0.000 0.968 316 R CB 0.119 30.343 30.300 -0.127 0.000 0.863 316 R HN 0.381 nan 8.270 nan 0.000 0.444 317 I N 2.803 123.416 120.570 0.073 0.000 2.269 317 I HA 0.021 4.191 4.170 0.000 0.000 0.293 317 I C 0.056 176.236 176.117 0.104 0.000 1.106 317 I CA 0.231 61.572 61.300 0.068 0.000 1.248 317 I CB 0.967 38.992 38.000 0.041 0.000 1.444 317 I HN 0.312 nan 8.210 nan 0.000 0.497 318 Q N 4.459 124.319 119.800 0.101 0.000 2.271 318 Q HA -0.079 4.261 4.340 0.000 0.000 0.206 318 Q C 0.602 176.680 176.000 0.131 0.000 0.860 318 Q CA 0.129 56.003 55.803 0.118 0.000 0.991 318 Q CB -0.428 28.340 28.738 0.050 0.000 1.232 318 Q HN 0.587 nan 8.270 nan 0.000 0.410 319 N N -0.732 118.046 118.700 0.131 0.000 2.204 319 N HA -0.027 4.713 4.740 0.000 0.000 0.219 319 N C -1.060 174.542 175.510 0.153 0.000 1.151 319 N CA -0.231 52.882 53.050 0.105 0.000 0.867 319 N CB 0.311 38.835 38.487 0.062 0.000 1.043 319 N HN 0.238 nan 8.380 nan 0.000 0.516 320 Y N 0.256 120.582 120.300 0.044 0.000 2.396 320 Y HA 0.580 5.131 4.550 0.000 0.000 0.332 320 Y C -1.218 174.721 175.900 0.064 0.000 1.034 320 Y CA -0.873 57.253 58.100 0.042 0.000 1.057 320 Y CB 1.793 40.270 38.460 0.028 0.000 1.220 320 Y HN 0.032 nan 8.280 nan 0.000 0.440 321 S N 4.677 120.140 115.700 -0.394 0.000 2.546 321 S HA 0.880 5.350 4.470 0.000 0.000 0.274 321 S C -2.239 172.181 174.600 -0.301 0.000 1.121 321 S CA -0.489 57.607 58.200 -0.174 0.000 0.887 321 S CB 1.451 64.610 63.200 -0.068 0.000 1.094 321 S HN 0.506 nan 8.310 nan 0.000 0.474 322 V N 4.786 124.668 119.914 -0.053 0.000 2.638 322 V HA 0.552 4.672 4.120 0.000 0.000 0.306 322 V C -0.426 175.707 176.094 0.064 0.000 1.052 322 V CA -0.633 61.659 62.300 -0.013 0.000 0.885 322 V CB 1.829 33.693 31.823 0.068 0.000 0.999 322 V HN 0.962 nan 8.190 nan 0.000 0.424 323 M N 4.648 124.258 119.600 0.017 0.000 2.101 323 M HA 0.785 5.266 4.480 0.000 0.000 0.340 323 M C -0.332 175.983 176.300 0.025 0.000 1.057 323 M CA -0.425 54.864 55.300 -0.019 0.000 0.984 323 M CB 1.084 33.615 32.600 -0.115 0.000 1.560 323 M HN 0.795 nan 8.290 nan 0.000 0.435 324 A N 6.258 129.093 122.820 0.025 0.000 2.317 324 A HA 0.753 5.073 4.320 0.000 0.000 0.327 324 A C -0.877 176.685 177.584 -0.037 0.000 1.178 324 A CA -0.729 51.315 52.037 0.011 0.000 0.817 324 A CB 0.699 19.721 19.000 0.036 0.000 1.189 324 A HN 0.927 nan 8.150 nan 0.000 0.489 325 I N 1.822 122.390 120.570 -0.005 0.000 2.339 325 I HA 0.287 4.457 4.170 0.000 0.000 0.290 325 I C -0.666 175.449 176.117 -0.004 0.000 0.994 325 I CA -0.301 60.986 61.300 -0.021 0.000 1.191 325 I CB 1.297 39.342 38.000 0.074 0.000 1.343 325 I HN 0.546 nan 8.210 nan 0.000 0.458 326 c N 4.504 123.094 118.600 -0.016 0.000 2.382 326 c HA 0.490 5.060 4.570 0.000 0.000 0.327 326 c C -0.233 173.994 174.090 0.229 0.000 1.250 326 c CA -0.824 55.562 56.329 0.095 0.000 1.707 326 c CB 1.034 43.600 42.510 0.094 0.000 2.272 326 c HN 0.616 nan 8.230 nan 0.000 0.506 327 D N 0.400 120.923 120.400 0.204 0.000 2.252 327 D HA 0.229 4.869 4.640 0.000 0.000 0.245 327 D C -1.032 175.247 176.300 -0.035 0.000 1.009 327 D CA -0.196 53.886 54.000 0.137 0.000 0.870 327 D CB 1.807 42.634 40.800 0.046 0.000 1.251 327 D HN 0.615 nan 8.370 nan 0.000 0.460 328 Y N 1.704 121.691 120.300 -0.522 0.000 2.365 328 Y HA 0.101 4.651 4.550 0.000 0.000 0.340 328 Y C -0.061 175.540 175.900 -0.499 0.000 1.016 328 Y CA -0.559 56.897 58.100 -1.074 0.000 1.196 328 Y CB 0.638 38.166 38.460 -1.553 0.000 1.167 328 Y HN 0.140 nan 8.280 nan 0.000 0.509 329 D N 6.201 126.017 120.400 -0.973 0.000 2.365 329 D HA 0.080 4.720 4.640 0.000 0.000 0.237 329 D C 0.388 176.104 176.300 -0.974 0.000 1.190 329 D CA 0.033 53.613 54.000 -0.700 0.000 0.867 329 D CB 0.974 41.522 40.800 -0.419 0.000 1.050 329 D HN 0.771 nan 8.370 nan 0.000 0.491 330 K N 1.652 121.663 120.400 -0.648 0.000 2.097 330 K HA -0.102 4.218 4.320 0.000 0.000 0.206 330 K C 1.804 178.258 176.600 -0.244 0.000 1.049 330 K CA 1.106 57.153 56.287 -0.401 0.000 0.933 330 K CB 0.082 32.506 32.500 -0.127 0.000 0.717 330 K HN 0.320 nan 8.250 nan 0.000 0.442 331 T N 0.700 115.130 114.554 -0.206 0.000 2.701 331 T HA -0.075 4.275 4.350 0.000 0.000 0.263 331 T C 1.669 176.301 174.700 -0.113 0.000 1.040 331 T CA 1.635 63.661 62.100 -0.124 0.000 1.147 331 T CB -0.112 68.697 68.868 -0.098 0.000 0.865 331 T HN 0.253 nan 8.240 nan 0.000 0.426 332 T N 1.880 116.344 114.554 -0.150 0.000 3.122 332 T HA 0.357 4.707 4.350 0.000 0.000 0.250 332 T C 0.604 175.245 174.700 -0.100 0.000 1.067 332 T CA -0.192 61.847 62.100 -0.102 0.000 0.966 332 T CB -0.379 68.436 68.868 -0.087 0.000 1.002 332 T HN 0.329 nan 8.240 nan 0.000 0.542 333 L N 1.180 122.294 121.223 -0.182 0.000 3.795 333 L HA -0.155 4.185 4.340 0.000 0.000 0.489 333 L C -0.637 176.236 176.870 0.005 0.000 1.259 333 L CA -0.187 54.598 54.840 -0.092 0.000 0.765 333 L CB -1.912 40.210 42.059 0.105 0.000 1.519 333 L HN 0.150 nan 8.230 nan 0.000 0.842 334 V N -1.548 118.261 119.914 -0.175 0.000 3.147 334 V HA 0.518 4.638 4.120 0.000 0.000 0.306 334 V C -0.549 175.464 176.094 -0.135 0.000 1.209 334 V CA -0.833 61.462 62.300 -0.008 0.000 1.023 334 V CB 2.310 34.133 31.823 0.001 0.000 1.059 334 V HN 0.273 nan 8.190 nan 0.000 0.435 335 W N 1.876 123.217 121.300 0.067 0.000 2.469 335 W HA 0.608 5.268 4.660 0.000 0.000 0.320 335 W C 0.094 176.608 176.519 -0.008 0.000 1.086 335 W CA -0.291 57.082 57.345 0.047 0.000 1.211 335 W CB 0.938 30.417 29.460 0.031 0.000 1.298 335 W HN 0.396 nan 8.180 nan 0.000 0.525 336 N N 2.028 120.819 118.700 0.152 0.000 2.321 336 N HA 0.402 5.142 4.740 0.000 0.000 0.299 336 N C -1.433 174.121 175.510 0.073 0.000 1.048 336 N CA -0.507 52.587 53.050 0.072 0.000 0.836 336 N CB 1.856 40.347 38.487 0.006 0.000 1.269 336 N HN 0.292 nan 8.380 nan 0.000 0.486 337 c N 2.278 120.898 118.600 0.032 0.000 3.273 337 c HA 0.281 4.851 4.570 0.000 0.000 0.227 337 c C -2.011 172.068 174.090 -0.018 0.000 1.409 337 c CA -1.481 54.854 56.329 0.009 0.000 1.516 337 c CB -0.615 41.888 42.510 -0.011 0.000 1.853 337 c HN 0.513 nan 8.230 nan 0.000 0.472 338 P HA 0.019 nan 4.420 nan 0.000 0.262 338 P C 1.148 178.425 177.300 -0.038 0.000 1.182 338 P CA 0.882 63.967 63.100 -0.024 0.000 0.761 338 P CB 0.706 32.398 31.700 -0.014 0.000 0.795 339 T N -0.484 114.043 114.554 -0.046 0.000 2.897 339 T HA -0.158 4.192 4.350 0.000 0.000 0.271 339 T C 1.408 176.068 174.700 -0.067 0.000 1.084 339 T CA 1.821 63.888 62.100 -0.056 0.000 1.123 339 T CB -1.372 67.467 68.868 -0.049 0.000 0.865 339 T HN 0.420 nan 8.240 nan 0.000 0.496 340 T N 2.022 116.545 114.554 -0.052 0.000 2.915 340 T HA -0.053 4.298 4.350 0.000 0.000 0.269 340 T C 1.564 176.213 174.700 -0.084 0.000 1.071 340 T CA 0.977 63.045 62.100 -0.053 0.000 1.132 340 T CB -0.239 68.615 68.868 -0.024 0.000 0.878 340 T HN 0.586 nan 8.240 nan 0.000 0.479 341 Q N 0.347 120.101 119.800 -0.077 0.000 2.189 341 Q HA 0.277 4.617 4.340 0.000 0.000 0.221 341 Q C -0.104 175.793 176.000 -0.170 0.000 0.848 341 Q CA -0.122 55.634 55.803 -0.078 0.000 1.007 341 Q CB 0.584 29.341 28.738 0.032 0.000 1.116 341 Q HN 0.489 nan 8.270 nan 0.000 0.481 342 E N 1.202 121.262 120.200 -0.234 0.000 2.146 342 E HA 0.139 4.489 4.350 0.000 0.000 0.282 342 E C -0.922 175.487 176.600 -0.320 0.000 0.989 342 E CA -0.352 55.938 56.400 -0.183 0.000 0.799 342 E CB 0.683 30.326 29.700 -0.096 0.000 1.088 342 E HN 0.199 nan 8.360 nan 0.000 0.397 343 H N 4.301 123.369 119.070 -0.005 0.000 2.466 343 H HA 0.370 4.926 4.556 0.000 0.000 0.338 343 H C -0.249 175.044 175.328 -0.058 0.000 1.091 343 H CA -0.530 55.513 56.048 -0.008 0.000 1.207 343 H CB 1.119 30.858 29.762 -0.039 0.000 1.466 343 H HN 0.445 nan 8.280 nan 0.000 0.493 344 I N 2.231 122.832 120.570 0.052 0.000 2.354 344 I HA 0.164 4.335 4.170 0.000 0.000 0.292 344 I C 0.280 176.351 176.117 -0.077 0.000 0.989 344 I CA -0.323 60.919 61.300 -0.098 0.000 1.188 344 I CB 1.697 39.629 38.000 -0.112 0.000 1.342 344 I HN 0.440 nan 8.210 nan 0.000 0.457 345 E N 4.170 124.268 120.200 -0.170 0.000 2.171 345 E HA 0.528 4.879 4.350 0.000 0.000 0.271 345 E C -1.150 175.361 176.600 -0.148 0.000 0.916 345 E CA -0.323 56.025 56.400 -0.087 0.000 0.774 345 E CB 1.928 31.600 29.700 -0.047 0.000 1.128 345 E HN 0.521 nan 8.360 nan 0.000 0.403 346 T N 1.307 115.825 114.554 -0.061 0.000 2.887 346 T HA 0.545 4.895 4.350 0.000 0.000 0.292 346 T C -1.499 173.194 174.700 -0.012 0.000 1.087 346 T CA -0.592 61.490 62.100 -0.031 0.000 1.009 346 T CB 1.740 70.614 68.868 0.011 0.000 1.203 346 T HN 0.299 nan 8.240 nan 0.000 0.518 347 S N -0.290 115.404 115.700 -0.010 0.000 2.592 347 S HA 0.621 5.091 4.470 0.000 0.000 0.275 347 S C 0.075 174.639 174.600 -0.060 0.000 1.169 347 S CA -0.005 58.163 58.200 -0.053 0.000 0.958 347 S CB 1.011 64.143 63.200 -0.113 0.000 1.095 347 S HN 0.838 nan 8.310 nan 0.000 0.471 348 A N 3.103 125.886 122.820 -0.063 0.000 2.252 348 A HA 0.248 4.568 4.320 0.000 0.000 0.213 348 A C 1.527 179.056 177.584 -0.091 0.000 1.188 348 A CA 0.953 52.957 52.037 -0.054 0.000 0.863 348 A CB -0.391 18.593 19.000 -0.027 0.000 0.893 348 A HN 0.773 nan 8.150 nan 0.000 0.495 349 T N -1.540 112.926 114.554 -0.146 0.000 2.939 349 T HA 0.380 4.730 4.350 0.000 0.000 0.254 349 T C 1.370 175.805 174.700 -0.442 0.000 1.041 349 T CA 1.186 63.176 62.100 -0.183 0.000 1.142 349 T CB 0.165 69.031 68.868 -0.002 0.000 0.874 349 T HN 0.544 nan 8.240 nan 0.000 0.452 350 G N 0.323 108.621 108.800 -0.838 0.000 3.504 350 G HA2 0.462 4.422 3.960 0.000 0.000 0.162 350 G HA3 0.462 4.422 3.960 0.000 0.000 0.162 350 G C -1.520 173.144 174.900 -0.394 0.000 1.311 350 G CA -0.270 44.334 45.100 -0.827 0.000 1.322 350 G HN 0.513 nan 8.290 nan 0.000 0.738 351 W N -0.395 120.626 121.300 -0.465 0.000 2.929 351 W HA 0.735 5.395 4.660 0.000 0.000 0.345 351 W C -0.769 175.719 176.519 -0.052 0.000 1.151 351 W CA -1.570 55.667 57.345 -0.180 0.000 1.111 351 W CB 0.694 30.045 29.460 -0.182 0.000 1.449 351 W HN 0.378 nan 8.180 nan 0.000 0.572 352 C N 3.562 122.950 119.300 0.146 0.000 2.482 352 C HA 0.723 5.183 4.460 0.000 0.000 0.378 352 C C 1.158 176.235 174.990 0.145 0.000 1.284 352 C CA 1.223 60.287 59.018 0.076 0.000 1.826 352 C CB -0.864 26.911 27.740 0.059 0.000 2.473 352 C HN 1.234 nan 8.230 nan 0.000 0.562 353 G N 4.456 113.288 108.800 0.053 0.000 2.782 353 G HA2 -0.185 3.775 3.960 0.000 0.000 0.228 353 G HA3 -0.185 3.775 3.960 0.000 0.000 0.228 353 G C 0.481 175.454 174.900 0.122 0.000 1.372 353 G CA -0.175 44.974 45.100 0.082 0.000 0.862 353 G HN 0.718 nan 8.290 nan 0.000 0.547 354 R N -1.119 119.450 120.500 0.114 0.000 2.055 354 R HA 0.193 4.533 4.340 0.000 0.000 0.226 354 R C 1.871 178.092 176.300 -0.131 0.000 1.135 354 R CA 1.976 58.086 56.100 0.017 0.000 0.959 354 R CB -0.039 30.303 30.300 0.069 0.000 0.854 354 R HN 0.459 nan 8.270 nan 0.000 0.431 355 F N -0.483 119.595 119.950 0.212 0.000 2.856 355 F HA 0.273 4.800 4.527 0.000 0.000 0.338 355 F C -0.021 175.790 175.800 0.018 0.000 1.100 355 F CA -0.528 57.537 58.000 0.108 0.000 1.150 355 F CB 0.838 39.898 39.000 0.100 0.000 1.101 355 F HN -0.078 nan 8.300 nan 0.000 0.548 356 R N -2.083 118.534 120.500 0.195 0.000 3.343 356 R HA 0.257 4.598 4.340 0.000 0.000 0.282 356 R C -3.412 172.944 176.300 0.093 0.000 0.974 356 R CA -1.646 54.506 56.100 0.087 0.000 0.857 356 R CB -0.575 29.725 30.300 0.000 0.000 1.322 356 R HN -0.361 nan 8.270 nan 0.000 0.537 357 P HA 0.039 nan 4.420 nan 0.000 0.264 357 P C -0.545 176.785 177.300 0.051 0.000 1.179 357 P CA 0.459 63.581 63.100 0.036 0.000 0.763 357 P CB 0.531 32.226 31.700 -0.009 0.000 0.806 358 A N 2.366 125.230 122.820 0.073 0.000 2.332 358 A HA 0.167 4.487 4.320 0.000 0.000 0.258 358 A C 0.346 177.974 177.584 0.073 0.000 1.087 358 A CA -0.360 51.741 52.037 0.106 0.000 0.802 358 A CB -0.079 19.005 19.000 0.141 0.000 1.042 358 A HN 0.589 nan 8.150 nan 0.000 0.489 359 E N 1.784 122.040 120.200 0.094 0.000 2.338 359 E HA 0.291 4.641 4.350 0.000 0.000 0.272 359 E C -2.208 174.389 176.600 -0.004 0.000 1.029 359 E CA -1.808 54.598 56.400 0.009 0.000 0.872 359 E CB 0.676 30.369 29.700 -0.012 0.000 1.015 359 E HN 0.466 nan 8.360 nan 0.000 0.417 360 P HA 0.091 nan 4.420 nan 0.000 0.277 360 P C -1.128 176.099 177.300 -0.122 0.000 1.240 360 P CA -0.034 63.017 63.100 -0.083 0.000 0.798 360 P CB 0.756 32.207 31.700 -0.414 0.000 0.979 361 H N 1.654 120.822 119.070 0.164 0.000 2.991 361 H HA 0.293 4.849 4.556 0.000 0.000 0.304 361 H C -0.296 175.202 175.328 0.284 0.000 1.040 361 H CA -0.294 55.910 56.048 0.259 0.000 1.410 361 H CB 0.262 30.171 29.762 0.245 0.000 1.529 361 H HN 0.290 nan 8.280 nan 0.000 0.509 362 F N 1.643 121.778 119.950 0.308 0.000 2.380 362 F HA 0.112 4.639 4.527 0.000 0.000 0.325 362 F C 1.644 177.627 175.800 0.306 0.000 1.136 362 F CA -0.333 57.858 58.000 0.317 0.000 1.171 362 F CB 0.984 40.105 39.000 0.202 0.000 1.230 362 F HN 0.334 nan 8.300 nan 0.000 0.554 363 T N -1.827 113.014 114.554 0.478 0.000 2.816 363 T HA 0.172 4.522 4.350 0.000 0.000 0.282 363 T C 1.176 176.060 174.700 0.307 0.000 0.993 363 T CA -0.540 61.773 62.100 0.355 0.000 0.994 363 T CB 1.125 70.175 68.868 0.305 0.000 1.025 363 T HN 0.502 nan 8.240 nan 0.000 0.529 364 S N 1.506 117.344 115.700 0.229 0.000 2.369 364 S HA -0.176 4.294 4.470 0.000 0.000 0.225 364 S C 1.759 176.468 174.600 0.181 0.000 1.043 364 S CA 1.798 60.110 58.200 0.186 0.000 1.074 364 S CB -0.679 62.607 63.200 0.142 0.000 0.962 364 S HN 0.995 nan 8.310 nan 0.000 0.433 365 D N 0.711 121.215 120.400 0.173 0.000 2.378 365 D HA 0.075 4.715 4.640 0.000 0.000 0.227 365 D C 1.186 177.601 176.300 0.192 0.000 1.012 365 D CA 0.817 54.912 54.000 0.158 0.000 0.905 365 D CB -1.016 39.864 40.800 0.134 0.000 0.895 365 D HN 0.477 nan 8.370 nan 0.000 0.532 366 G N 0.844 109.801 108.800 0.263 0.000 2.296 366 G HA2 -0.384 3.577 3.960 0.000 0.000 0.282 366 G HA3 -0.384 3.577 3.960 0.000 0.000 0.282 366 G C 1.050 176.190 174.900 0.401 0.000 1.014 366 G CA 1.116 46.433 45.100 0.362 0.000 0.812 366 G HN 0.613 nan 8.290 nan 0.000 0.508 367 S N -1.978 113.905 115.700 0.306 0.000 2.446 367 S HA 0.485 4.955 4.470 0.000 0.000 0.225 367 S C 1.028 175.769 174.600 0.235 0.000 1.016 367 S CA 1.165 59.509 58.200 0.240 0.000 0.943 367 S CB 0.426 63.719 63.200 0.155 0.000 0.786 367 S HN 0.882 nan 8.310 nan 0.000 0.508 368 S N 0.383 116.215 115.700 0.220 0.000 2.651 368 S HA 0.806 5.276 4.470 0.000 0.000 0.279 368 S C -1.185 173.394 174.600 -0.035 0.000 1.148 368 S CA -0.944 57.261 58.200 0.009 0.000 0.837 368 S CB 1.705 64.820 63.200 -0.141 0.000 1.138 368 S HN 0.597 nan 8.310 nan 0.000 0.478 369 F N -0.974 118.700 119.950 -0.460 0.000 2.654 369 F HA 0.795 5.322 4.527 0.000 0.000 0.308 369 F C -2.130 173.422 175.800 -0.414 0.000 1.108 369 F CA -1.309 56.353 58.000 -0.564 0.000 0.957 369 F CB 0.616 38.738 39.000 -1.463 0.000 1.309 369 F HN 0.472 nan 8.300 nan 0.000 0.446 370 Y N 1.521 121.859 120.300 0.063 0.000 2.409 370 Y HA 0.705 5.255 4.550 0.000 0.000 0.339 370 Y C -0.153 175.885 175.900 0.229 0.000 1.033 370 Y CA -0.976 57.164 58.100 0.066 0.000 1.094 370 Y CB 2.028 40.504 38.460 0.027 0.000 1.210 370 Y HN 0.780 nan 8.280 nan 0.000 0.456 371 K N 2.663 123.271 120.400 0.348 0.000 2.546 371 K HA 0.532 4.852 4.320 0.000 0.000 0.264 371 K C -1.800 174.946 176.600 0.244 0.000 0.937 371 K CA -0.606 55.878 56.287 0.328 0.000 0.833 371 K CB 1.670 34.362 32.500 0.319 0.000 1.378 371 K HN 0.741 nan 8.250 nan 0.000 0.432 372 I N 4.464 125.155 120.570 0.202 0.000 2.396 372 I HA 0.209 4.379 4.170 0.000 0.000 0.289 372 I C -0.072 176.139 176.117 0.158 0.000 1.056 372 I CA -0.465 60.930 61.300 0.158 0.000 1.365 372 I CB 1.049 39.128 38.000 0.132 0.000 1.407 372 I HN 0.392 nan 8.210 nan 0.000 0.509 373 V N 1.835 121.861 119.914 0.186 0.000 3.147 373 V HA 0.528 4.649 4.120 0.000 0.000 0.306 373 V C -0.172 176.043 176.094 0.201 0.000 1.209 373 V CA -0.755 61.651 62.300 0.177 0.000 1.023 373 V CB 1.836 33.780 31.823 0.202 0.000 1.059 373 V HN 0.591 nan 8.190 nan 0.000 0.435 374 S N 2.689 118.438 115.700 0.081 0.000 2.533 374 S HA 0.348 4.818 4.470 0.000 0.000 0.282 374 S C -0.182 174.441 174.600 0.039 0.000 1.304 374 S CA 0.027 58.211 58.200 -0.028 0.000 1.063 374 S CB 0.327 63.456 63.200 -0.118 0.000 0.881 374 S HN 1.119 nan 8.310 nan 0.000 0.493 375 D N 1.673 121.938 120.400 -0.225 0.000 2.478 375 D HA 0.203 4.843 4.640 0.000 0.000 0.269 375 D C 1.055 177.229 176.300 -0.210 0.000 1.232 375 D CA -0.788 52.917 54.000 -0.492 0.000 1.059 375 D CB 0.312 40.418 40.800 -1.157 0.000 1.104 375 D HN 0.371 nan 8.370 nan 0.000 0.566 376 K N -0.994 119.294 120.400 -0.186 0.000 2.127 376 K HA -0.194 4.126 4.320 0.000 0.000 0.208 376 K C 0.506 177.058 176.600 -0.080 0.000 1.047 376 K CA 1.679 57.913 56.287 -0.088 0.000 0.927 376 K CB -0.094 32.362 32.500 -0.072 0.000 0.716 376 K HN 0.365 nan 8.250 nan 0.000 0.450 377 D N -1.221 119.130 120.400 -0.081 0.000 2.340 377 D HA 0.054 4.694 4.640 0.000 0.000 0.220 377 D C 0.750 177.023 176.300 -0.045 0.000 1.039 377 D CA 0.934 54.936 54.000 0.003 0.000 0.866 377 D CB 0.697 41.559 40.800 0.105 0.000 0.913 377 D HN 0.501 nan 8.370 nan 0.000 0.523 378 G N 0.810 109.518 108.800 -0.153 0.000 2.132 378 G HA2 -0.283 3.677 3.960 0.000 0.000 0.228 378 G HA3 -0.283 3.677 3.960 0.000 0.000 0.228 378 G C -0.310 174.275 174.900 -0.524 0.000 1.000 378 G CA -0.336 44.572 45.100 -0.319 0.000 0.693 378 G HN 0.296 nan 8.290 nan 0.000 0.515 379 Y N -0.068 120.011 120.300 -0.368 0.000 2.331 379 Y HA 0.594 5.144 4.550 0.000 0.000 0.338 379 Y C 0.724 176.259 175.900 -0.609 0.000 0.992 379 Y CA -1.100 56.687 58.100 -0.522 0.000 1.121 379 Y CB 1.447 39.509 38.460 -0.663 0.000 1.184 379 Y HN -0.021 nan 8.280 nan 0.000 0.469 380 K N 3.530 123.695 120.400 -0.391 0.000 2.395 380 K HA 0.121 4.441 4.320 0.000 0.000 0.283 380 K C -1.091 175.278 176.600 -0.386 0.000 1.068 380 K CA 0.640 56.768 56.287 -0.265 0.000 1.039 380 K CB -0.414 32.001 32.500 -0.143 0.000 0.924 380 K HN 0.655 nan 8.250 nan 0.000 0.468 381 H N 0.917 119.947 119.070 -0.067 0.000 2.946 381 H HA 0.445 5.001 4.556 0.000 0.000 0.365 381 H C -0.361 175.009 175.328 0.070 0.000 1.197 381 H CA -1.219 54.763 56.048 -0.110 0.000 1.131 381 H CB 1.515 31.127 29.762 -0.250 0.000 1.849 381 H HN 0.314 nan 8.280 nan 0.000 0.555 382 I N 2.756 123.392 120.570 0.110 0.000 2.396 382 I HA 0.143 4.313 4.170 0.000 0.000 0.289 382 I C 0.027 176.152 176.117 0.014 0.000 1.056 382 I CA -0.091 61.227 61.300 0.031 0.000 1.365 382 I CB -0.082 37.841 38.000 -0.128 0.000 1.407 382 I HN 0.456 nan 8.210 nan 0.000 0.509 383 c N 3.551 122.064 118.600 -0.146 0.000 2.898 383 c HA 0.554 5.124 4.570 0.000 0.000 0.304 383 c C -0.388 173.387 174.090 -0.525 0.000 1.237 383 c CA -0.950 55.080 56.329 -0.498 0.000 1.529 383 c CB 1.416 43.119 42.510 -1.345 0.000 2.021 383 c HN 0.776 nan 8.230 nan 0.000 0.474 384 Q N 0.548 119.962 119.800 -0.643 0.000 2.259 384 Q HA 0.682 5.022 4.340 0.000 0.000 0.249 384 Q C -1.508 173.921 176.000 -0.951 0.000 0.914 384 Q CA -0.077 55.251 55.803 -0.793 0.000 0.904 384 Q CB 0.964 29.323 28.738 -0.632 0.000 1.213 384 Q HN 0.719 nan 8.270 nan 0.000 0.428 385 F N 0.544 119.869 119.950 -1.042 0.000 2.593 385 F HA 0.387 4.914 4.527 0.000 0.000 0.320 385 F C 0.037 175.332 175.800 -0.842 0.000 1.060 385 F CA -0.933 56.421 58.000 -1.078 0.000 0.940 385 F CB 1.841 39.666 39.000 -1.960 0.000 1.268 385 F HN 0.293 nan 8.300 nan 0.000 0.475 386 Q N 1.132 120.806 119.800 -0.210 0.000 2.257 386 Q HA 0.251 4.591 4.340 0.000 0.000 0.262 386 Q C 0.916 177.048 176.000 0.219 0.000 0.997 386 Q CA -0.625 55.165 55.803 -0.022 0.000 0.873 386 Q CB 2.162 30.915 28.738 0.025 0.000 1.312 386 Q HN 0.708 nan 8.270 nan 0.000 0.450 387 K N 1.407 121.986 120.400 0.298 0.000 2.015 387 K HA -0.158 4.163 4.320 0.000 0.000 0.216 387 K C -0.288 176.564 176.600 0.420 0.000 1.052 387 K CA 1.544 58.095 56.287 0.440 0.000 0.937 387 K CB 0.161 32.848 32.500 0.311 0.000 0.719 387 K HN 0.558 nan 8.250 nan 0.000 0.446 388 D N 1.079 121.622 120.400 0.238 0.000 2.350 388 D HA 0.022 4.662 4.640 0.000 0.000 0.249 388 D C -0.026 176.364 176.300 0.151 0.000 1.119 388 D CA 0.043 54.120 54.000 0.128 0.000 0.886 388 D CB 1.149 41.994 40.800 0.074 0.000 1.195 388 D HN 0.200 nan 8.370 nan 0.000 0.437 389 R N 1.455 121.937 120.500 -0.030 0.000 2.679 389 R HA 0.186 4.526 4.340 0.000 0.000 0.269 389 R C -0.280 176.056 176.300 0.059 0.000 1.076 389 R CA -0.048 56.067 56.100 0.026 0.000 1.160 389 R CB 0.605 30.789 30.300 -0.193 0.000 1.054 389 R HN 0.274 nan 8.270 nan 0.000 0.507 390 K N 3.098 123.548 120.400 0.083 0.000 2.378 390 K HA 0.338 4.658 4.320 0.000 0.000 0.252 390 K C -2.430 174.186 176.600 0.028 0.000 0.931 390 K CA -2.082 54.228 56.287 0.037 0.000 0.794 390 K CB 2.187 34.699 32.500 0.019 0.000 1.181 390 K HN 0.509 nan 8.250 nan 0.000 0.425 391 P HA -0.086 nan 4.420 nan 0.000 0.257 391 P C -0.975 176.330 177.300 0.009 0.000 1.227 391 P CA 0.707 63.813 63.100 0.011 0.000 0.981 391 P CB -0.049 31.654 31.700 0.005 0.000 1.044 392 E N 2.239 122.449 120.200 0.016 0.000 2.476 392 E HA -0.229 4.121 4.350 0.000 0.000 0.251 392 E C -0.361 176.235 176.600 -0.007 0.000 1.130 392 E CA 0.546 56.953 56.400 0.011 0.000 0.736 392 E CB -1.729 27.977 29.700 0.009 0.000 1.298 392 E HN 0.674 nan 8.360 nan 0.000 0.400 393 Q N -2.045 117.743 119.800 -0.020 0.000 1.924 393 Q HA 0.102 4.442 4.340 0.000 0.000 0.207 393 Q C 0.856 176.795 176.000 -0.101 0.000 0.831 393 Q CA 0.145 55.912 55.803 -0.061 0.000 0.940 393 Q CB 0.523 29.231 28.738 -0.049 0.000 1.263 393 Q HN 0.133 nan 8.270 nan 0.000 0.397 394 V N -1.320 118.556 119.914 -0.064 0.000 2.720 394 V HA -0.136 3.984 4.120 0.000 0.000 0.256 394 V C 1.059 176.894 176.094 -0.431 0.000 1.082 394 V CA 0.783 63.058 62.300 -0.040 0.000 1.101 394 V CB -0.274 31.705 31.823 0.261 0.000 0.693 394 V HN 0.527 nan 8.190 nan 0.000 0.479 395 c N -0.517 117.733 118.600 -0.583 0.000 2.529 395 c HA 0.702 5.272 4.570 0.000 0.000 0.329 395 c C 0.465 174.167 174.090 -0.646 0.000 1.194 395 c CA -0.120 55.626 56.329 -0.972 0.000 1.779 395 c CB 1.614 43.377 42.510 -1.245 0.000 2.322 395 c HN 0.460 nan 8.230 nan 0.000 0.500 396 T N 3.211 117.351 114.554 -0.689 0.000 2.965 396 T HA 0.400 4.750 4.350 0.000 0.000 0.306 396 T C -0.760 173.689 174.700 -0.418 0.000 0.991 396 T CA -0.017 61.850 62.100 -0.388 0.000 1.001 396 T CB 0.142 68.860 68.868 -0.251 0.000 0.984 396 T HN 0.397 nan 8.240 nan 0.000 0.446 397 F N 2.607 122.439 119.950 -0.196 0.000 2.471 397 F HA 0.324 4.851 4.527 0.000 0.000 0.353 397 F C 1.544 177.240 175.800 -0.173 0.000 1.113 397 F CA -0.258 57.629 58.000 -0.188 0.000 1.262 397 F CB 0.608 39.507 39.000 -0.168 0.000 1.146 397 F HN 0.537 nan 8.300 nan 0.000 0.578 398 I N 1.074 121.629 120.570 -0.025 0.000 4.018 398 I HA 0.090 4.260 4.170 0.000 0.000 0.337 398 I C -0.166 175.842 176.117 -0.181 0.000 1.327 398 I CA 0.495 61.690 61.300 -0.175 0.000 1.100 398 I CB 0.148 37.963 38.000 -0.309 0.000 1.025 398 I HN 0.499 nan 8.210 nan 0.000 0.396 399 T N 1.472 115.900 114.554 -0.209 0.000 2.952 399 T HA 0.485 4.835 4.350 0.000 0.000 0.305 399 T C -0.672 173.488 174.700 -0.900 0.000 1.064 399 T CA -0.685 61.123 62.100 -0.487 0.000 1.008 399 T CB 2.496 70.997 68.868 -0.611 0.000 1.078 399 T HN -0.033 nan 8.240 nan 0.000 0.459 400 K N 0.781 120.685 120.400 -0.827 0.000 2.444 400 K HA 0.885 5.205 4.320 0.000 0.000 0.252 400 K C -0.300 175.964 176.600 -0.559 0.000 0.993 400 K CA -1.105 54.764 56.287 -0.697 0.000 0.847 400 K CB 2.488 34.813 32.500 -0.291 0.000 1.340 400 K HN 0.987 nan 8.250 nan 0.000 0.446 401 G N -0.387 108.202 108.800 -0.352 0.000 2.362 401 G HA2 0.244 4.204 3.960 0.000 0.000 0.656 401 G HA3 0.244 4.204 3.960 0.000 0.000 0.656 401 G C -1.345 173.117 174.900 -0.729 0.000 1.376 401 G CA -0.530 44.394 45.100 -0.294 0.000 0.971 401 G HN 0.615 nan 8.290 nan 0.000 0.636 402 A N 1.594 124.117 122.820 -0.495 0.000 3.091 402 A HA 0.654 4.974 4.320 0.000 0.000 0.264 402 A C 0.275 177.775 177.584 -0.140 0.000 1.673 402 A CA 0.710 52.230 52.037 -0.862 0.000 1.362 402 A CB -1.052 17.717 19.000 -0.384 0.000 1.137 402 A HN 1.907 nan 8.150 nan 0.000 0.617 403 W N -0.786 120.372 121.300 -0.236 0.000 2.982 403 W HA 0.590 5.250 4.660 0.000 0.000 0.344 403 W C -1.256 175.280 176.519 0.028 0.000 1.215 403 W CA -0.804 56.544 57.345 0.005 0.000 1.182 403 W CB 0.209 29.661 29.460 -0.013 0.000 1.437 403 W HN 0.282 nan 8.180 nan 0.000 0.570 404 E N 0.658 120.974 120.200 0.194 0.000 2.369 404 E HA 0.489 4.839 4.350 0.000 0.000 0.270 404 E C -1.132 175.576 176.600 0.181 0.000 0.909 404 E CA -1.203 55.152 56.400 -0.075 0.000 0.775 404 E CB 3.309 33.003 29.700 -0.009 0.000 1.270 404 E HN 0.182 nan 8.360 nan 0.000 0.445 405 V N 3.648 123.600 119.914 0.064 0.000 2.461 405 V HA 0.019 4.140 4.120 0.000 0.000 0.275 405 V C 1.188 177.382 176.094 0.167 0.000 1.047 405 V CA -0.140 62.266 62.300 0.177 0.000 0.955 405 V CB 0.612 32.442 31.823 0.011 0.000 0.988 405 V HN 0.686 nan 8.190 nan 0.000 0.471 406 I N 3.180 123.863 120.570 0.190 0.000 2.333 406 I HA 0.016 4.186 4.170 0.000 0.000 0.246 406 I C 0.997 177.214 176.117 0.167 0.000 1.106 406 I CA 1.185 62.571 61.300 0.144 0.000 1.411 406 I CB -0.594 37.421 38.000 0.025 0.000 1.082 406 I HN 0.849 nan 8.210 nan 0.000 0.420 407 S N -0.477 115.327 115.700 0.173 0.000 2.580 407 S HA 0.488 4.959 4.470 0.000 0.000 0.281 407 S C -0.839 173.852 174.600 0.151 0.000 1.129 407 S CA -0.869 57.431 58.200 0.166 0.000 0.862 407 S CB 1.145 64.443 63.200 0.164 0.000 1.090 407 S HN 0.037 nan 8.310 nan 0.000 0.451 408 I N 2.886 123.498 120.570 0.070 0.000 2.337 408 I HA 0.247 4.417 4.170 0.000 0.000 0.291 408 I C 1.021 177.096 176.117 -0.069 0.000 1.046 408 I CA -0.345 60.911 61.300 -0.073 0.000 1.324 408 I CB 0.865 38.612 38.000 -0.422 0.000 1.409 408 I HN 0.739 nan 8.210 nan 0.000 0.494 409 E N 5.225 125.449 120.200 0.041 0.000 2.276 409 E HA 0.264 4.614 4.350 0.000 0.000 0.193 409 E C 0.232 176.871 176.600 0.065 0.000 0.983 409 E CA 0.210 56.652 56.400 0.070 0.000 0.861 409 E CB 0.647 30.388 29.700 0.067 0.000 0.817 409 E HN 0.693 nan 8.360 nan 0.000 0.485 410 A N 0.631 123.495 122.820 0.073 0.000 2.594 410 A HA 0.503 4.823 4.320 0.000 0.000 0.296 410 A C -2.015 175.665 177.584 0.159 0.000 1.056 410 A CA -0.712 51.389 52.037 0.107 0.000 0.693 410 A CB 1.030 20.035 19.000 0.010 0.000 1.278 410 A HN 0.041 nan 8.150 nan 0.000 0.408 411 L N 1.717 123.035 121.223 0.159 0.000 2.372 411 L HA 0.732 5.072 4.340 0.000 0.000 0.273 411 L C -0.012 176.952 176.870 0.157 0.000 0.989 411 L CA 0.398 55.318 54.840 0.133 0.000 0.841 411 L CB 1.553 43.695 42.059 0.138 0.000 1.225 411 L HN 0.774 nan 8.230 nan 0.000 0.414 412 T N 1.278 115.931 114.554 0.165 0.000 2.884 412 T HA 0.269 4.619 4.350 0.000 0.000 0.277 412 T C 1.264 176.017 174.700 0.087 0.000 0.976 412 T CA 0.203 62.388 62.100 0.143 0.000 0.956 412 T CB 1.444 70.433 68.868 0.201 0.000 1.113 412 T HN 0.712 nan 8.240 nan 0.000 0.554 413 S N 0.577 116.310 115.700 0.055 0.000 2.447 413 S HA -0.093 4.377 4.470 0.000 0.000 0.233 413 S C 1.001 175.592 174.600 -0.015 0.000 1.006 413 S CA 1.111 59.333 58.200 0.037 0.000 0.957 413 S CB -0.171 63.044 63.200 0.025 0.000 0.773 413 S HN 0.842 nan 8.310 nan 0.000 0.507 414 D N -1.421 118.922 120.400 -0.095 0.000 2.448 414 D HA 0.126 4.766 4.640 0.000 0.000 0.256 414 D C -0.072 176.084 176.300 -0.240 0.000 1.108 414 D CA -0.081 53.776 54.000 -0.238 0.000 0.848 414 D CB 0.119 40.639 40.800 -0.466 0.000 1.281 414 D HN 0.455 nan 8.370 nan 0.000 0.509 415 Y N 0.333 120.616 120.300 -0.028 0.000 2.524 415 Y HA 0.482 5.032 4.550 0.000 0.000 0.344 415 Y C -0.862 174.958 175.900 -0.133 0.000 1.012 415 Y CA -1.543 56.479 58.100 -0.130 0.000 1.068 415 Y CB 2.647 40.962 38.460 -0.242 0.000 1.249 415 Y HN -0.185 nan 8.280 nan 0.000 0.468 416 L N 3.261 124.464 121.223 -0.034 0.000 2.377 416 L HA 0.481 4.821 4.340 0.000 0.000 0.270 416 L C -1.941 174.889 176.870 -0.067 0.000 0.991 416 L CA -1.128 53.670 54.840 -0.070 0.000 0.851 416 L CB -0.038 41.890 42.059 -0.218 0.000 1.218 416 L HN 0.395 nan 8.230 nan 0.000 0.420 417 Y N 5.816 126.111 120.300 -0.009 0.000 2.313 417 Y HA 0.556 5.106 4.550 0.000 0.000 0.332 417 Y C -0.084 175.840 175.900 0.040 0.000 1.071 417 Y CA 0.086 58.149 58.100 -0.061 0.000 1.169 417 Y CB 0.948 39.332 38.460 -0.128 0.000 1.192 417 Y HN 0.654 nan 8.280 nan 0.000 0.487 418 Y N -0.013 120.323 120.300 0.061 0.000 2.728 418 Y HA 0.851 5.402 4.550 0.000 0.000 0.330 418 Y C -1.785 174.161 175.900 0.078 0.000 1.234 418 Y CA -2.055 56.072 58.100 0.045 0.000 1.070 418 Y CB 1.294 39.766 38.460 0.020 0.000 1.300 418 Y HN 0.354 nan 8.280 nan 0.000 0.467 419 I N 2.342 123.094 120.570 0.304 0.000 2.533 419 I HA 0.602 4.772 4.170 0.000 0.000 0.290 419 I C -0.808 175.489 176.117 0.300 0.000 1.056 419 I CA -0.555 60.851 61.300 0.176 0.000 1.057 419 I CB 2.261 40.311 38.000 0.084 0.000 1.240 419 I HN 0.896 nan 8.210 nan 0.000 0.423 420 S N 3.154 118.989 115.700 0.225 0.000 2.720 420 S HA 0.485 4.955 4.470 0.000 0.000 0.287 420 S C -0.642 174.030 174.600 0.120 0.000 1.168 420 S CA -0.807 57.535 58.200 0.236 0.000 0.832 420 S CB 1.849 65.284 63.200 0.392 0.000 1.166 420 S HN 0.651 nan 8.310 nan 0.000 0.493 421 N N -0.598 118.189 118.700 0.147 0.000 2.467 421 N HA 0.162 4.902 4.740 0.000 0.000 0.278 421 N C 0.377 175.907 175.510 0.033 0.000 1.306 421 N CA -0.370 52.717 53.050 0.061 0.000 0.905 421 N CB 0.354 38.857 38.487 0.026 0.000 1.236 421 N HN 0.836 nan 8.380 nan 0.000 0.509 422 E N -0.056 120.046 120.200 -0.163 0.000 2.046 422 E HA -0.170 4.180 4.350 0.000 0.000 0.190 422 E C -0.304 176.150 176.600 -0.242 0.000 0.982 422 E CA 0.196 56.230 56.400 -0.610 0.000 0.800 422 E CB -0.071 28.616 29.700 -1.690 0.000 0.756 422 E HN 0.331 nan 8.360 nan 0.000 0.449 423 Y N 2.125 122.323 120.300 -0.170 0.000 2.895 423 Y HA -0.160 4.390 4.550 0.000 0.000 0.334 423 Y C 0.506 176.368 175.900 -0.064 0.000 1.261 423 Y CA 0.862 58.916 58.100 -0.077 0.000 1.560 423 Y CB 0.144 38.596 38.460 -0.012 0.000 1.253 423 Y HN 0.134 nan 8.280 nan 0.000 0.582 424 K N 3.104 123.222 120.400 -0.470 0.000 3.104 424 K HA -0.355 3.965 4.320 0.000 0.000 0.285 424 K C 0.097 176.621 176.600 -0.127 0.000 1.136 424 K CA 1.269 57.322 56.287 -0.389 0.000 0.842 424 K CB -0.908 31.276 32.500 -0.527 0.000 1.217 424 K HN 0.956 nan 8.250 nan 0.000 0.467 425 E N -1.709 118.434 120.200 -0.095 0.000 2.586 425 E HA -0.247 4.104 4.350 0.000 0.000 0.259 425 E C -0.525 176.046 176.600 -0.048 0.000 1.107 425 E CA 1.061 57.447 56.400 -0.024 0.000 0.754 425 E CB -1.173 28.546 29.700 0.031 0.000 1.335 425 E HN 0.446 nan 8.360 nan 0.000 0.411 426 M N 1.169 120.658 119.600 -0.184 0.000 2.080 426 M HA 0.139 4.619 4.480 0.000 0.000 0.350 426 M C -1.381 174.645 176.300 -0.456 0.000 1.143 426 M CA -1.916 53.075 55.300 -0.514 0.000 1.064 426 M CB 0.757 33.145 32.600 -0.354 0.000 1.429 426 M HN -0.144 nan 8.290 nan 0.000 0.418 427 P HA -0.083 nan 4.420 nan 0.000 0.222 427 P C 1.003 178.161 177.300 -0.237 0.000 1.147 427 P CA 1.191 64.117 63.100 -0.289 0.000 0.790 427 P CB 0.136 31.681 31.700 -0.258 0.000 0.780 428 G N -0.450 108.118 108.800 -0.388 0.000 3.181 428 G HA2 0.270 4.230 3.960 0.000 0.000 0.219 428 G HA3 0.270 4.230 3.960 0.000 0.000 0.219 428 G C 0.681 175.600 174.900 0.033 0.000 1.182 428 G CA 0.088 45.113 45.100 -0.126 0.000 0.791 428 G HN 0.437 nan 8.290 nan 0.000 0.537 429 G N -0.269 108.494 108.800 -0.060 0.000 2.454 429 G HA2 0.624 4.585 3.960 0.000 0.000 0.329 429 G HA3 0.624 4.585 3.960 0.000 0.000 0.329 429 G C -0.891 173.934 174.900 -0.124 0.000 1.177 429 G CA -0.780 44.327 45.100 0.012 0.000 0.951 429 G HN 0.043 nan 8.290 nan 0.000 0.485 430 R N 1.330 121.696 120.500 -0.224 0.000 2.502 430 R HA 0.438 4.778 4.340 0.000 0.000 0.300 430 R C -1.130 175.155 176.300 -0.025 0.000 0.984 430 R CA -0.816 55.110 56.100 -0.289 0.000 0.882 430 R CB 1.677 31.511 30.300 -0.777 0.000 1.180 430 R HN 0.553 nan 8.270 nan 0.000 0.444 431 N N 1.907 120.631 118.700 0.041 0.000 2.225 431 N HA 0.296 5.036 4.740 0.000 0.000 0.298 431 N C -1.149 174.321 175.510 -0.066 0.000 1.076 431 N CA -0.805 52.237 53.050 -0.013 0.000 0.792 431 N CB 2.748 41.197 38.487 -0.063 0.000 1.498 431 N HN 0.263 nan 8.380 nan 0.000 0.474 432 L N 2.640 123.659 121.223 -0.341 0.000 2.290 432 L HA 0.449 4.789 4.340 0.000 0.000 0.284 432 L C -1.284 175.232 176.870 -0.590 0.000 1.078 432 L CA 0.176 54.795 54.840 -0.368 0.000 0.815 432 L CB -0.212 41.578 42.059 -0.449 0.000 1.162 432 L HN 0.410 nan 8.230 nan 0.000 0.435 433 Y N 3.631 123.514 120.300 -0.694 0.000 2.686 433 Y HA 0.724 5.275 4.550 0.000 0.000 0.330 433 Y C -0.469 174.977 175.900 -0.756 0.000 1.082 433 Y CA -0.894 56.721 58.100 -0.809 0.000 1.158 433 Y CB 1.511 39.261 38.460 -1.185 0.000 1.333 433 Y HN 0.592 nan 8.280 nan 0.000 0.519 434 K N 0.737 120.868 120.400 -0.450 0.000 2.570 434 K HA 0.644 4.964 4.320 0.000 0.000 0.256 434 K C -2.302 174.104 176.600 -0.323 0.000 0.939 434 K CA -0.466 55.498 56.287 -0.537 0.000 0.833 434 K CB 1.402 33.302 32.500 -1.000 0.000 1.318 434 K HN 0.640 nan 8.250 nan 0.000 0.433 435 I N 2.511 122.981 120.570 -0.167 0.000 2.530 435 I HA 0.237 4.407 4.170 0.000 0.000 0.297 435 I C -0.368 175.799 176.117 0.083 0.000 1.011 435 I CA -1.057 60.229 61.300 -0.025 0.000 1.107 435 I CB 2.190 40.214 38.000 0.039 0.000 1.285 435 I HN 0.706 nan 8.210 nan 0.000 0.436 436 Q N 4.505 124.427 119.800 0.204 0.000 2.288 436 Q HA 0.261 4.602 4.340 0.000 0.000 0.258 436 Q C 0.460 176.604 176.000 0.239 0.000 0.957 436 Q CA -0.303 55.714 55.803 0.357 0.000 0.919 436 Q CB 1.278 30.208 28.738 0.320 0.000 1.185 436 Q HN 0.661 nan 8.270 nan 0.000 0.408 437 L N 2.442 123.765 121.223 0.167 0.000 2.017 437 L HA -0.201 4.139 4.340 0.000 0.000 0.208 437 L C 2.386 179.356 176.870 0.166 0.000 1.073 437 L CA 1.815 56.780 54.840 0.208 0.000 0.745 437 L CB -0.776 41.356 42.059 0.123 0.000 0.894 437 L HN 0.791 nan 8.230 nan 0.000 0.432 438 T N -3.788 110.798 114.554 0.054 0.000 2.929 438 T HA -0.153 4.198 4.350 0.000 0.000 0.271 438 T C 0.711 175.377 174.700 -0.057 0.000 1.085 438 T CA 0.874 62.965 62.100 -0.015 0.000 1.125 438 T CB -0.126 68.728 68.868 -0.023 0.000 0.874 438 T HN 0.184 nan 8.240 nan 0.000 0.494 439 D N 0.331 120.735 120.400 0.007 0.000 2.336 439 D HA 0.162 4.802 4.640 0.000 0.000 0.248 439 D C -0.173 176.200 176.300 0.121 0.000 1.326 439 D CA -0.557 53.444 54.000 0.001 0.000 0.973 439 D CB 0.651 41.466 40.800 0.025 0.000 1.255 439 D HN 0.079 nan 8.370 nan 0.000 0.558 440 H N 1.497 120.585 119.070 0.030 0.000 2.568 440 H HA 0.023 4.579 4.556 0.000 0.000 0.281 440 H C 1.348 176.692 175.328 0.027 0.000 1.028 440 H CA 0.730 56.796 56.048 0.031 0.000 1.199 440 H CB -0.010 29.766 29.762 0.024 0.000 1.352 440 H HN 0.301 nan 8.280 nan 0.000 0.605 441 T N -0.235 114.396 114.554 0.129 0.000 3.009 441 T HA -0.043 4.307 4.350 0.000 0.000 0.258 441 T C 1.020 175.755 174.700 0.058 0.000 1.063 441 T CA 0.121 62.267 62.100 0.077 0.000 1.139 441 T CB -0.048 68.847 68.868 0.045 0.000 0.890 441 T HN 0.240 nan 8.240 nan 0.000 0.471 442 N N 2.898 121.637 118.700 0.064 0.000 3.059 442 N HA 0.075 4.815 4.740 0.000 0.000 0.321 442 N C -0.245 175.270 175.510 0.009 0.000 1.224 442 N CA 0.263 53.336 53.050 0.039 0.000 1.197 442 N CB -0.195 38.336 38.487 0.073 0.000 1.453 442 N HN 0.412 nan 8.380 nan 0.000 0.544 443 K N 1.114 121.520 120.400 0.010 0.000 2.234 443 K HA 0.269 4.589 4.320 0.000 0.000 0.277 443 K C -0.608 175.968 176.600 -0.041 0.000 1.038 443 K CA -0.644 55.647 56.287 0.006 0.000 0.888 443 K CB 0.700 33.242 32.500 0.069 0.000 1.091 443 K HN 0.049 nan 8.250 nan 0.000 0.467 444 K N 4.416 124.744 120.400 -0.121 0.000 2.482 444 K HA 0.234 4.554 4.320 0.000 0.000 0.251 444 K C -1.537 174.845 176.600 -0.363 0.000 0.936 444 K CA -0.845 55.321 56.287 -0.202 0.000 0.791 444 K CB 1.668 34.031 32.500 -0.228 0.000 1.213 444 K HN 0.756 nan 8.250 nan 0.000 0.428 445 C N 5.895 124.885 119.300 -0.516 0.000 2.514 445 C HA 0.363 4.823 4.460 0.000 0.000 0.392 445 C C 1.203 175.776 174.990 -0.694 0.000 1.294 445 C CA -0.510 57.906 59.018 -1.003 0.000 1.957 445 C CB -0.939 26.117 27.740 -1.140 0.000 2.541 445 C HN 0.924 nan 8.230 nan 0.000 0.569 446 L N 4.790 125.582 121.223 -0.718 0.000 2.664 446 L HA 0.157 4.497 4.340 0.000 0.000 0.233 446 L C 1.880 178.416 176.870 -0.555 0.000 1.113 446 L CA 0.458 54.981 54.840 -0.529 0.000 0.896 446 L CB -0.265 41.489 42.059 -0.508 0.000 1.163 446 L HN 0.866 nan 8.230 nan 0.000 0.497 447 S N -2.906 112.365 115.700 -0.715 0.000 2.604 447 S HA 0.007 4.477 4.470 0.000 0.000 0.235 447 S C 1.768 176.031 174.600 -0.561 0.000 1.043 447 S CA -0.140 57.558 58.200 -0.837 0.000 0.997 447 S CB -0.240 62.044 63.200 -1.527 0.000 0.956 447 S HN 0.284 nan 8.310 nan 0.000 0.535 448 C N 3.333 122.264 119.300 -0.614 0.000 2.376 448 C HA -0.140 4.320 4.460 0.000 0.000 0.275 448 C C 2.478 177.273 174.990 -0.325 0.000 1.200 448 C CA 1.587 60.200 59.018 -0.675 0.000 1.756 448 C CB -0.936 26.166 27.740 -1.064 0.000 2.050 448 C HN 0.650 nan 8.230 nan 0.000 0.460 449 D N 0.621 120.871 120.400 -0.250 0.000 2.110 449 D HA -0.048 4.592 4.640 0.000 0.000 0.202 449 D C 2.096 178.376 176.300 -0.033 0.000 0.975 449 D CA 0.716 54.654 54.000 -0.104 0.000 0.839 449 D CB -0.753 39.986 40.800 -0.101 0.000 0.996 449 D HN 0.444 nan 8.370 nan 0.000 0.464 450 L N -0.027 121.172 121.223 -0.040 0.000 2.239 450 L HA -0.304 4.036 4.340 0.000 0.000 0.242 450 L C 0.414 177.324 176.870 0.067 0.000 1.130 450 L CA 1.869 56.730 54.840 0.036 0.000 0.852 450 L CB -0.756 41.348 42.059 0.075 0.000 0.959 450 L HN 0.059 nan 8.230 nan 0.000 0.447 451 N N -1.848 116.912 118.700 0.101 0.000 2.700 451 N HA 0.131 4.871 4.740 0.000 0.000 0.242 451 N C -1.935 173.624 175.510 0.082 0.000 1.541 451 N CA -0.613 52.480 53.050 0.072 0.000 0.764 451 N CB 0.972 39.491 38.487 0.054 0.000 1.319 451 N HN 0.051 nan 8.380 nan 0.000 0.518 452 P HA -0.229 nan 4.420 nan 0.000 0.219 452 P C 0.278 177.628 177.300 0.084 0.000 1.144 452 P CA 1.534 64.706 63.100 0.121 0.000 0.806 452 P CB 0.532 32.307 31.700 0.125 0.000 0.771 453 E N 0.178 120.407 120.200 0.049 0.000 2.042 453 E HA -0.054 4.297 4.350 0.000 0.000 0.189 453 E C 2.417 179.021 176.600 0.008 0.000 0.974 453 E CA 0.606 57.022 56.400 0.027 0.000 0.806 453 E CB -1.026 28.682 29.700 0.013 0.000 0.769 453 E HN 0.112 nan 8.360 nan 0.000 0.451 454 R N -0.053 120.441 120.500 -0.010 0.000 2.100 454 R HA 0.141 4.482 4.340 0.000 0.000 0.220 454 R C -0.222 176.035 176.300 -0.072 0.000 1.091 454 R CA 0.774 56.845 56.100 -0.049 0.000 0.986 454 R CB 0.114 30.374 30.300 -0.068 0.000 0.888 454 R HN 0.236 nan 8.270 nan 0.000 0.444 455 c N 1.072 119.637 118.600 -0.059 0.000 2.281 455 c HA 0.427 4.998 4.570 0.000 0.000 0.323 455 c C 0.458 174.520 174.090 -0.046 0.000 1.270 455 c CA -0.698 55.533 56.329 -0.163 0.000 1.559 455 c CB 1.300 43.645 42.510 -0.276 0.000 2.239 455 c HN 0.501 nan 8.230 nan 0.000 0.488 456 Q N 0.316 120.082 119.800 -0.058 0.000 2.089 456 Q HA 0.137 4.477 4.340 0.000 0.000 0.227 456 Q C -0.840 175.225 176.000 0.108 0.000 0.774 456 Q CA 0.107 55.968 55.803 0.098 0.000 0.960 456 Q CB 1.263 30.070 28.738 0.116 0.000 1.179 456 Q HN 0.813 nan 8.270 nan 0.000 0.460 457 Y N 0.715 120.916 120.300 -0.165 0.000 2.526 457 Y HA 0.365 4.915 4.550 0.000 0.000 0.328 457 Y C -1.335 174.437 175.900 -0.212 0.000 0.995 457 Y CA -0.944 57.092 58.100 -0.107 0.000 1.304 457 Y CB 0.576 38.986 38.460 -0.082 0.000 1.096 457 Y HN -0.078 nan 8.280 nan 0.000 0.499 458 Y N 2.152 122.367 120.300 -0.141 0.000 2.419 458 Y HA 0.552 5.103 4.550 0.000 0.000 0.328 458 Y C 0.371 176.215 175.900 -0.093 0.000 1.162 458 Y CA -0.428 57.617 58.100 -0.092 0.000 1.174 458 Y CB 1.973 40.364 38.460 -0.114 0.000 1.228 458 Y HN 0.492 nan 8.280 nan 0.000 0.473 459 S N 1.559 117.368 115.700 0.182 0.000 2.568 459 S HA 0.851 5.321 4.470 0.000 0.000 0.293 459 S C -1.526 173.178 174.600 0.173 0.000 1.089 459 S CA -0.611 57.680 58.200 0.153 0.000 0.945 459 S CB 1.775 65.089 63.200 0.190 0.000 1.077 459 S HN 0.634 nan 8.310 nan 0.000 0.485 460 V N 0.904 120.903 119.914 0.142 0.000 3.160 460 V HA 0.939 5.059 4.120 0.000 0.000 0.310 460 V C -1.159 175.045 176.094 0.185 0.000 1.181 460 V CA -0.167 62.217 62.300 0.140 0.000 1.047 460 V CB 2.297 34.132 31.823 0.021 0.000 1.068 460 V HN 1.273 nan 8.190 nan 0.000 0.441 461 S N 3.051 118.893 115.700 0.238 0.000 2.382 461 S HA 0.522 4.993 4.470 0.000 0.000 0.228 461 S C -1.438 173.409 174.600 0.413 0.000 0.996 461 S CA -0.480 57.916 58.200 0.327 0.000 1.094 461 S CB 0.368 63.791 63.200 0.371 0.000 1.209 461 S HN 0.622 nan 8.310 nan 0.000 0.420 462 L N 3.728 125.035 121.223 0.141 0.000 2.399 462 L HA 0.574 4.915 4.340 0.000 0.000 0.266 462 L C 1.168 177.698 176.870 -0.567 0.000 1.114 462 L CA -0.077 54.694 54.840 -0.115 0.000 0.804 462 L CB 1.214 43.116 42.059 -0.262 0.000 1.146 462 L HN 0.750 nan 8.230 nan 0.000 0.451 463 S N 0.800 115.842 115.700 -1.096 0.000 2.608 463 S HA 0.184 4.655 4.470 0.000 0.000 0.261 463 S C 1.151 175.422 174.600 -0.548 0.000 1.314 463 S CA -0.628 56.630 58.200 -1.570 0.000 0.992 463 S CB 0.570 62.924 63.200 -1.410 0.000 0.935 463 S HN 0.483 nan 8.310 nan 0.000 0.564 464 K N 1.154 121.389 120.400 -0.275 0.000 2.097 464 K HA -0.189 4.131 4.320 0.000 0.000 0.214 464 K C 1.087 177.655 176.600 -0.053 0.000 1.052 464 K CA 2.171 58.420 56.287 -0.062 0.000 0.932 464 K CB -0.565 31.952 32.500 0.028 0.000 0.716 464 K HN 0.825 nan 8.250 nan 0.000 0.455 465 E N -1.243 118.911 120.200 -0.077 0.000 2.685 465 E HA 0.313 4.664 4.350 0.000 0.000 0.208 465 E C -0.448 176.109 176.600 -0.071 0.000 0.996 465 E CA 0.245 56.623 56.400 -0.037 0.000 1.054 465 E CB 0.658 30.358 29.700 0.001 0.000 1.075 465 E HN 0.281 nan 8.360 nan 0.000 0.460 466 A N 1.481 124.201 122.820 -0.167 0.000 2.925 466 A HA -0.296 4.024 4.320 0.000 0.000 0.265 466 A C 1.315 178.791 177.584 -0.180 0.000 1.419 466 A CA 1.433 53.338 52.037 -0.221 0.000 0.807 466 A CB -1.953 16.922 19.000 -0.207 0.000 1.043 466 A HN 0.318 nan 8.150 nan 0.000 0.600 467 K N -1.740 118.519 120.400 -0.234 0.000 2.228 467 K HA 0.144 4.464 4.320 0.000 0.000 0.202 467 K C 0.172 176.353 176.600 -0.698 0.000 1.051 467 K CA 1.414 57.452 56.287 -0.414 0.000 0.960 467 K CB 0.030 32.270 32.500 -0.433 0.000 0.743 467 K HN 0.710 nan 8.250 nan 0.000 0.458 468 Y N -1.177 119.019 120.300 -0.173 0.000 2.638 468 Y HA 0.334 4.884 4.550 0.000 0.000 0.339 468 Y C -1.129 174.746 175.900 -0.042 0.000 1.084 468 Y CA -1.437 56.602 58.100 -0.102 0.000 1.068 468 Y CB 1.535 40.009 38.460 0.023 0.000 1.294 468 Y HN -0.035 nan 8.280 nan 0.000 0.480 469 Y N -0.779 119.667 120.300 0.243 0.000 2.390 469 Y HA 0.399 4.949 4.550 0.000 0.000 0.324 469 Y C -1.250 174.832 175.900 0.304 0.000 1.151 469 Y CA -1.465 56.743 58.100 0.180 0.000 1.053 469 Y CB 1.043 39.470 38.460 -0.055 0.000 1.277 469 Y HN 0.601 nan 8.280 nan 0.000 0.432 470 Q N 4.543 124.663 119.800 0.533 0.000 2.259 470 Q HA 0.503 4.843 4.340 0.000 0.000 0.249 470 Q C -1.578 174.650 176.000 0.381 0.000 0.914 470 Q CA -0.451 55.579 55.803 0.379 0.000 0.904 470 Q CB 1.355 30.243 28.738 0.251 0.000 1.213 470 Q HN 1.016 nan 8.270 nan 0.000 0.428 471 L N 1.958 123.391 121.223 0.350 0.000 2.329 471 L HA 0.582 4.923 4.340 0.000 0.000 0.279 471 L C 0.190 177.220 176.870 0.267 0.000 1.014 471 L CA -0.829 54.194 54.840 0.306 0.000 0.814 471 L CB 2.129 44.345 42.059 0.261 0.000 1.257 471 L HN 0.784 nan 8.230 nan 0.000 0.424 472 G N 1.389 110.322 108.800 0.222 0.000 2.671 472 G HA2 0.288 4.248 3.960 0.000 0.000 0.318 472 G HA3 0.288 4.248 3.960 0.000 0.000 0.318 472 G C -0.661 174.115 174.900 -0.206 0.000 1.250 472 G CA -0.293 44.765 45.100 -0.069 0.000 1.028 472 G HN 0.675 nan 8.290 nan 0.000 0.501 473 c N 5.142 123.462 118.600 -0.467 0.000 2.416 473 c HA 0.482 5.052 4.570 0.000 0.000 0.355 473 c C 1.253 175.097 174.090 -0.410 0.000 1.211 473 c CA -0.824 55.141 56.329 -0.608 0.000 1.699 473 c CB -0.364 41.827 42.510 -0.532 0.000 2.310 473 c HN 0.712 nan 8.230 nan 0.000 0.539 474 R N 3.946 124.322 120.500 -0.207 0.000 2.312 474 R HA 0.207 4.547 4.340 0.000 0.000 0.205 474 R C 1.543 177.831 176.300 -0.020 0.000 0.904 474 R CA 0.483 56.569 56.100 -0.023 0.000 1.052 474 R CB -1.161 29.228 30.300 0.147 0.000 1.014 474 R HN 0.921 nan 8.270 nan 0.000 0.503 475 G N 2.741 111.481 108.800 -0.100 0.000 3.483 475 G HA2 -0.170 3.791 3.960 0.000 0.000 0.255 475 G HA3 -0.170 3.791 3.960 0.000 0.000 0.255 475 G C -1.468 173.424 174.900 -0.013 0.000 1.284 475 G CA -0.532 44.526 45.100 -0.069 0.000 0.913 475 G HN 0.041 nan 8.290 nan 0.000 0.633 476 P HA -0.115 nan 4.420 nan 0.000 0.217 476 P C 1.456 178.775 177.300 0.033 0.000 1.162 476 P CA 1.906 65.030 63.100 0.040 0.000 0.901 476 P CB -0.161 31.553 31.700 0.024 0.000 0.793 477 G N -1.295 107.457 108.800 -0.080 0.000 2.563 477 G HA2 0.371 4.332 3.960 0.000 0.000 0.283 477 G HA3 0.371 4.332 3.960 0.000 0.000 0.283 477 G C -0.545 174.088 174.900 -0.446 0.000 1.309 477 G CA -0.703 44.265 45.100 -0.219 0.000 1.022 477 G HN 0.044 nan 8.290 nan 0.000 0.501 478 L N 2.023 122.874 121.223 -0.621 0.000 2.578 478 L HA 0.107 4.448 4.340 0.000 0.000 0.279 478 L C -1.503 175.166 176.870 -0.334 0.000 1.227 478 L CA -1.061 53.363 54.840 -0.695 0.000 0.900 478 L CB 0.126 41.910 42.059 -0.459 0.000 1.144 478 L HN 0.332 nan 8.230 nan 0.000 0.496 479 P HA -0.021 nan 4.420 nan 0.000 0.264 479 P C -0.832 176.364 177.300 -0.173 0.000 1.183 479 P CA -0.096 62.911 63.100 -0.155 0.000 0.763 479 P CB 1.031 32.747 31.700 0.027 0.000 0.807 480 L N 5.430 126.455 121.223 -0.329 0.000 2.376 480 L HA 0.455 4.795 4.340 0.000 0.000 0.275 480 L C -1.402 175.262 176.870 -0.344 0.000 0.987 480 L CA -0.891 53.822 54.840 -0.213 0.000 0.828 480 L CB 1.024 43.009 42.059 -0.124 0.000 1.249 480 L HN 0.183 nan 8.230 nan 0.000 0.409 481 Y N 2.809 123.110 120.300 0.002 0.000 2.335 481 Y HA 0.731 5.282 4.550 0.000 0.000 0.338 481 Y C 0.352 176.206 175.900 -0.076 0.000 0.977 481 Y CA -0.546 57.553 58.100 -0.002 0.000 1.114 481 Y CB 2.032 40.486 38.460 -0.009 0.000 1.182 481 Y HN 0.650 nan 8.280 nan 0.000 0.463 482 T N 2.089 116.712 114.554 0.114 0.000 2.933 482 T HA 0.669 5.019 4.350 0.000 0.000 0.305 482 T C -1.063 173.692 174.700 0.091 0.000 1.092 482 T CA -0.982 61.128 62.100 0.017 0.000 1.008 482 T CB 1.252 70.136 68.868 0.026 0.000 1.102 482 T HN 0.702 nan 8.240 nan 0.000 0.469 483 L N 1.300 122.482 121.223 -0.068 0.000 2.331 483 L HA 0.926 5.266 4.340 0.000 0.000 0.275 483 L C -1.310 175.477 176.870 -0.137 0.000 1.022 483 L CA -0.819 54.054 54.840 0.055 0.000 0.812 483 L CB 1.183 43.268 42.059 0.043 0.000 1.257 483 L HN 0.802 nan 8.230 nan 0.000 0.435 484 H N 1.012 119.910 119.070 -0.287 0.000 2.797 484 H HA 0.554 5.110 4.556 0.000 0.000 0.372 484 H C -0.893 174.241 175.328 -0.322 0.000 1.168 484 H CA -0.865 54.927 56.048 -0.426 0.000 1.163 484 H CB 1.357 30.600 29.762 -0.865 0.000 1.778 484 H HN 0.679 nan 8.280 nan 0.000 0.551 485 R N 0.246 120.711 120.500 -0.058 0.000 2.221 485 R HA 0.387 4.727 4.340 0.000 0.000 0.327 485 R C 0.643 176.868 176.300 -0.125 0.000 1.033 485 R CA -0.298 55.759 56.100 -0.071 0.000 0.887 485 R CB 1.211 31.494 30.300 -0.029 0.000 1.057 485 R HN 0.538 nan 8.270 nan 0.000 0.455 486 S N 2.634 118.252 115.700 -0.135 0.000 2.372 486 S HA -0.212 4.258 4.470 0.000 0.000 0.227 486 S C 1.173 175.842 174.600 0.114 0.000 1.044 486 S CA 2.291 60.555 58.200 0.105 0.000 1.050 486 S CB -0.346 62.894 63.200 0.067 0.000 0.901 486 S HN 0.859 nan 8.310 nan 0.000 0.447 487 T N 1.595 116.162 114.554 0.021 0.000 2.565 487 T HA -0.219 4.131 4.350 0.000 0.000 0.265 487 T C 1.216 175.946 174.700 0.050 0.000 1.082 487 T CA 1.982 64.108 62.100 0.044 0.000 1.173 487 T CB -0.699 68.169 68.868 0.001 0.000 0.864 487 T HN 0.861 nan 8.240 nan 0.000 0.425 488 D N -0.240 120.178 120.400 0.030 0.000 2.479 488 D HA 0.276 4.916 4.640 0.000 0.000 0.218 488 D C 0.395 176.718 176.300 0.037 0.000 1.177 488 D CA -0.253 53.762 54.000 0.025 0.000 0.830 488 D CB -0.212 40.596 40.800 0.013 0.000 1.014 488 D HN 0.224 nan 8.370 nan 0.000 0.503 489 Q N -0.367 119.476 119.800 0.071 0.000 2.452 489 Q HA -0.273 4.067 4.340 0.000 0.000 0.248 489 Q C -0.184 175.883 176.000 0.111 0.000 0.874 489 Q CA 1.170 57.044 55.803 0.119 0.000 1.208 489 Q CB -1.796 27.011 28.738 0.116 0.000 1.569 489 Q HN 0.547 nan 8.270 nan 0.000 0.579 490 K N 1.725 122.148 120.400 0.037 0.000 2.412 490 K HA 0.055 4.375 4.320 0.000 0.000 0.284 490 K C -0.198 176.357 176.600 -0.075 0.000 1.046 490 K CA 0.010 56.297 56.287 0.000 0.000 0.999 490 K CB 0.455 32.946 32.500 -0.015 0.000 0.941 490 K HN 0.252 nan 8.250 nan 0.000 0.474 491 E N 5.649 125.753 120.200 -0.160 0.000 2.238 491 E HA -0.050 4.300 4.350 0.000 0.000 0.264 491 E C 0.659 177.097 176.600 -0.271 0.000 1.136 491 E CA -0.157 55.958 56.400 -0.476 0.000 0.929 491 E CB 0.388 29.826 29.700 -0.437 0.000 1.010 491 E HN 0.686 nan 8.360 nan 0.000 0.440 492 L N 4.815 125.893 121.223 -0.241 0.000 2.093 492 L HA -0.067 4.273 4.340 0.000 0.000 0.208 492 L C 1.210 178.003 176.870 -0.128 0.000 1.085 492 L CA 1.097 55.860 54.840 -0.128 0.000 0.755 492 L CB -0.596 41.419 42.059 -0.074 0.000 0.904 492 L HN 0.634 nan 8.230 nan 0.000 0.435 493 R N -2.523 117.871 120.500 -0.178 0.000 2.829 493 R HA 0.369 4.709 4.340 0.000 0.000 0.283 493 R C -1.683 174.509 176.300 -0.179 0.000 1.013 493 R CA -0.955 55.058 56.100 -0.146 0.000 0.848 493 R CB 1.113 31.353 30.300 -0.101 0.000 1.291 493 R HN -0.289 nan 8.270 nan 0.000 0.496 494 V N 2.684 122.511 119.914 -0.145 0.000 2.406 494 V HA 0.212 4.333 4.120 0.000 0.000 0.272 494 V C 1.360 177.328 176.094 -0.209 0.000 1.043 494 V CA -0.496 61.719 62.300 -0.142 0.000 0.915 494 V CB 1.172 32.944 31.823 -0.086 0.000 0.988 494 V HN 0.628 nan 8.190 nan 0.000 0.466 495 L N 2.599 123.631 121.223 -0.319 0.000 2.162 495 L HA 0.231 4.571 4.340 0.000 0.000 0.205 495 L C 0.749 177.356 176.870 -0.438 0.000 1.086 495 L CA 0.844 55.278 54.840 -0.677 0.000 0.778 495 L CB 0.165 41.490 42.059 -1.224 0.000 0.928 495 L HN 0.711 nan 8.230 nan 0.000 0.446 496 E N 0.706 120.824 120.200 -0.136 0.000 2.406 496 E HA 0.143 4.493 4.350 0.000 0.000 0.297 496 E C -1.938 174.730 176.600 0.115 0.000 0.917 496 E CA -0.668 55.759 56.400 0.044 0.000 0.795 496 E CB 1.066 30.850 29.700 0.140 0.000 1.285 496 E HN 0.157 nan 8.360 nan 0.000 0.400 497 D N 3.031 123.468 120.400 0.062 0.000 2.549 497 D HA 0.222 4.862 4.640 0.000 0.000 0.251 497 D C -0.722 175.601 176.300 0.039 0.000 1.153 497 D CA -0.730 53.291 54.000 0.035 0.000 0.861 497 D CB 0.866 41.666 40.800 -0.000 0.000 1.207 497 D HN 0.384 nan 8.370 nan 0.000 0.543 498 N N 0.969 119.691 118.700 0.035 0.000 2.991 498 N HA -0.057 4.683 4.740 0.000 0.000 0.324 498 N C 1.406 176.920 175.510 0.007 0.000 1.208 498 N CA 0.125 53.195 53.050 0.033 0.000 1.190 498 N CB 0.137 38.638 38.487 0.022 0.000 1.443 498 N HN 0.452 nan 8.380 nan 0.000 0.542 499 S N -0.788 114.921 115.700 0.015 0.000 2.402 499 S HA -0.138 4.332 4.470 0.000 0.000 0.229 499 S C 2.031 176.646 174.600 0.024 0.000 1.021 499 S CA 0.592 58.797 58.200 0.009 0.000 0.974 499 S CB -0.119 63.088 63.200 0.012 0.000 0.800 499 S HN 0.453 nan 8.310 nan 0.000 0.484 500 A N 2.107 124.953 122.820 0.044 0.000 1.873 500 A HA 0.145 4.465 4.320 0.000 0.000 0.215 500 A C 2.217 179.847 177.584 0.077 0.000 1.186 500 A CA 1.427 53.501 52.037 0.062 0.000 0.616 500 A CB -0.918 18.127 19.000 0.074 0.000 0.823 500 A HN 0.523 nan 8.150 nan 0.000 0.442 501 L N 0.343 121.614 121.223 0.080 0.000 2.083 501 L HA -0.180 4.160 4.340 0.000 0.000 0.209 501 L C 1.945 178.833 176.870 0.031 0.000 1.083 501 L CA 2.717 57.615 54.840 0.096 0.000 0.752 501 L CB -0.657 41.459 42.059 0.094 0.000 0.899 501 L HN 0.495 nan 8.230 nan 0.000 0.433 502 D N -0.220 120.177 120.400 -0.006 0.000 2.104 502 D HA -0.239 4.401 4.640 0.000 0.000 0.194 502 D C 2.002 178.291 176.300 -0.018 0.000 0.994 502 D CA 1.467 55.444 54.000 -0.039 0.000 0.830 502 D CB 0.123 40.896 40.800 -0.044 0.000 0.959 502 D HN 0.453 nan 8.370 nan 0.000 0.452 503 K N -0.331 120.077 120.400 0.013 0.000 2.097 503 K HA -0.084 4.237 4.320 0.000 0.000 0.206 503 K C 2.404 179.028 176.600 0.041 0.000 1.049 503 K CA 1.037 57.340 56.287 0.026 0.000 0.933 503 K CB -0.058 32.465 32.500 0.040 0.000 0.717 503 K HN 0.250 nan 8.250 nan 0.000 0.442 504 M N 0.534 120.175 119.600 0.069 0.000 2.175 504 M HA -0.096 4.384 4.480 0.000 0.000 0.264 504 M C 1.817 178.109 176.300 -0.014 0.000 1.063 504 M CA 1.338 56.710 55.300 0.120 0.000 1.119 504 M CB -0.193 32.580 32.600 0.287 0.000 1.377 504 M HN 0.101 nan 8.290 nan 0.000 0.415 505 L N 0.039 121.187 121.223 -0.124 0.000 2.622 505 L HA -0.120 4.220 4.340 0.000 0.000 0.233 505 L C 2.385 179.189 176.870 -0.111 0.000 1.156 505 L CA 0.177 54.880 54.840 -0.228 0.000 0.866 505 L CB -0.603 41.326 42.059 -0.217 0.000 0.980 505 L HN 0.365 nan 8.230 nan 0.000 0.448 506 Q N 0.317 120.089 119.800 -0.047 0.000 2.046 506 Q HA -0.132 4.208 4.340 0.000 0.000 0.200 506 Q C 1.027 177.028 176.000 0.001 0.000 0.975 506 Q CA 1.245 57.038 55.803 -0.017 0.000 0.836 506 Q CB -0.139 28.601 28.738 0.002 0.000 0.896 506 Q HN 0.559 nan 8.270 nan 0.000 0.428 507 D N 0.523 120.935 120.400 0.021 0.000 2.344 507 D HA 0.072 4.712 4.640 0.000 0.000 0.242 507 D C -0.217 176.114 176.300 0.053 0.000 1.159 507 D CA 0.141 54.169 54.000 0.047 0.000 0.859 507 D CB 0.555 41.400 40.800 0.074 0.000 0.925 507 D HN -0.055 nan 8.370 nan 0.000 0.510 508 V N 0.737 120.658 119.914 0.010 0.000 2.638 508 V HA 0.127 4.247 4.120 0.000 0.000 0.306 508 V C 0.023 176.112 176.094 -0.008 0.000 1.052 508 V CA -0.961 61.348 62.300 0.015 0.000 0.885 508 V CB 2.532 34.324 31.823 -0.053 0.000 0.999 508 V HN -0.125 nan 8.190 nan 0.000 0.424 509 Q N 4.493 124.304 119.800 0.018 0.000 2.513 509 Q HA 0.309 4.649 4.340 0.000 0.000 0.227 509 Q C -0.309 175.656 176.000 -0.058 0.000 1.257 509 Q CA -0.075 55.707 55.803 -0.034 0.000 0.915 509 Q CB 0.374 29.096 28.738 -0.025 0.000 1.507 509 Q HN 0.542 nan 8.270 nan 0.000 0.543 510 M N 3.771 123.319 119.600 -0.085 0.000 2.255 510 M HA 0.338 4.818 4.480 0.000 0.000 0.336 510 M C -1.931 174.297 176.300 -0.119 0.000 1.135 510 M CA -2.006 53.234 55.300 -0.100 0.000 1.145 510 M CB 0.133 32.670 32.600 -0.105 0.000 1.473 510 M HN 0.312 nan 8.290 nan 0.000 0.462 511 P HA 0.299 nan 4.420 nan 0.000 0.281 511 P C -0.967 176.256 177.300 -0.127 0.000 1.281 511 P CA -0.406 62.607 63.100 -0.145 0.000 0.811 511 P CB 0.808 32.413 31.700 -0.159 0.000 1.154 512 S N -0.985 114.628 115.700 -0.145 0.000 2.664 512 S HA 0.584 5.054 4.470 0.000 0.000 0.304 512 S C -0.506 174.015 174.600 -0.131 0.000 1.099 512 S CA -0.809 57.324 58.200 -0.112 0.000 1.003 512 S CB 1.730 64.870 63.200 -0.100 0.000 1.092 512 S HN 0.503 nan 8.310 nan 0.000 0.525 513 K N 0.825 121.174 120.400 -0.084 0.000 2.413 513 K HA 0.378 4.698 4.320 0.000 0.000 0.257 513 K C -1.200 175.364 176.600 -0.059 0.000 0.946 513 K CA -0.499 55.741 56.287 -0.078 0.000 0.823 513 K CB 1.212 33.687 32.500 -0.042 0.000 1.109 513 K HN 0.728 nan 8.250 nan 0.000 0.427 514 K N 4.905 125.259 120.400 -0.077 0.000 2.206 514 K HA 0.300 4.620 4.320 0.000 0.000 0.264 514 K C -1.443 175.132 176.600 -0.043 0.000 0.967 514 K CA -0.829 55.425 56.287 -0.056 0.000 0.844 514 K CB 0.939 33.394 32.500 -0.075 0.000 1.099 514 K HN 0.437 nan 8.250 nan 0.000 0.441 515 L N 4.663 125.875 121.223 -0.019 0.000 2.353 515 L HA 0.449 4.790 4.340 0.000 0.000 0.270 515 L C -1.180 175.704 176.870 0.024 0.000 1.003 515 L CA 0.058 54.917 54.840 0.030 0.000 0.862 515 L CB 0.930 43.078 42.059 0.149 0.000 1.221 515 L HN 0.765 nan 8.230 nan 0.000 0.430 516 D N 2.784 122.945 120.400 -0.398 0.000 2.898 516 D HA 0.550 5.190 4.640 0.000 0.000 0.266 516 D C -1.451 174.396 176.300 -0.756 0.000 1.173 516 D CA -0.005 53.670 54.000 -0.541 0.000 1.078 516 D CB 2.138 42.633 40.800 -0.508 0.000 1.326 516 D HN 0.244 nan 8.370 nan 0.000 0.622 517 F N -0.338 119.195 119.950 -0.696 0.000 2.619 517 F HA 0.584 5.111 4.527 0.000 0.000 0.308 517 F C -1.513 174.344 175.800 0.096 0.000 1.097 517 F CA -0.982 56.748 58.000 -0.449 0.000 0.953 517 F CB 0.892 39.124 39.000 -1.281 0.000 1.287 517 F HN 0.021 nan 8.300 nan 0.000 0.446 518 I N 2.476 123.348 120.570 0.502 0.000 2.947 518 I HA 0.631 4.801 4.170 0.000 0.000 0.314 518 I C -0.908 175.495 176.117 0.475 0.000 1.028 518 I CA -1.223 60.302 61.300 0.375 0.000 1.077 518 I CB 1.987 40.195 38.000 0.347 0.000 1.274 518 I HN 0.704 nan 8.210 nan 0.000 0.485 519 V N 6.091 126.207 119.914 0.337 0.000 2.482 519 V HA 0.529 4.649 4.120 0.000 0.000 0.295 519 V C -1.138 175.124 176.094 0.280 0.000 1.026 519 V CA -0.347 62.156 62.300 0.339 0.000 0.856 519 V CB 1.597 33.586 31.823 0.276 0.000 1.001 519 V HN 0.499 nan 8.190 nan 0.000 0.424 520 L N 5.705 127.161 121.223 0.389 0.000 2.346 520 L HA 0.642 4.982 4.340 0.000 0.000 0.274 520 L C 0.527 177.561 176.870 0.272 0.000 1.007 520 L CA -1.040 53.971 54.840 0.285 0.000 0.818 520 L CB 1.763 43.981 42.059 0.264 0.000 1.284 520 L HN 0.693 nan 8.230 nan 0.000 0.424 521 N N 2.729 121.529 118.700 0.166 0.000 2.701 521 N HA -0.233 4.507 4.740 0.000 0.000 0.257 521 N C -0.159 175.428 175.510 0.128 0.000 0.969 521 N CA 1.220 54.349 53.050 0.133 0.000 0.786 521 N CB -0.893 37.675 38.487 0.134 0.000 0.917 521 N HN 0.740 nan 8.380 nan 0.000 0.541 522 E N -4.542 115.727 120.200 0.114 0.000 3.413 522 E HA -0.201 4.149 4.350 0.000 0.000 0.300 522 E C -0.580 176.057 176.600 0.061 0.000 0.891 522 E CA 1.292 57.742 56.400 0.082 0.000 1.050 522 E CB -2.160 27.576 29.700 0.060 0.000 1.534 522 E HN 0.547 nan 8.360 nan 0.000 0.436 523 T N 0.576 115.179 114.554 0.082 0.000 2.893 523 T HA 0.471 4.821 4.350 0.000 0.000 0.293 523 T C 0.211 174.817 174.700 -0.155 0.000 1.027 523 T CA -0.806 61.245 62.100 -0.083 0.000 0.988 523 T CB 1.979 70.731 68.868 -0.193 0.000 1.043 523 T HN 0.005 nan 8.240 nan 0.000 0.461 524 R N 1.419 121.753 120.500 -0.276 0.000 2.490 524 R HA 0.460 4.800 4.340 0.000 0.000 0.280 524 R C -1.089 174.981 176.300 -0.383 0.000 1.077 524 R CA -0.024 55.934 56.100 -0.236 0.000 1.065 524 R CB 0.465 30.500 30.300 -0.441 0.000 1.003 524 R HN 0.532 nan 8.270 nan 0.000 0.470 525 F N 1.921 122.012 119.950 0.236 0.000 2.745 525 F HA 0.213 4.741 4.527 0.000 0.000 0.343 525 F C -0.681 175.330 175.800 0.353 0.000 1.196 525 F CA -0.821 57.340 58.000 0.268 0.000 1.021 525 F CB 0.973 40.174 39.000 0.335 0.000 1.297 525 F HN 0.419 nan 8.300 nan 0.000 0.486 526 W N 3.869 125.362 121.300 0.322 0.000 2.170 526 W HA 0.406 5.066 4.660 0.000 0.000 0.336 526 W C -0.280 176.481 176.519 0.404 0.000 1.283 526 W CA -0.335 57.210 57.345 0.333 0.000 1.224 526 W CB 0.290 29.858 29.460 0.179 0.000 1.132 526 W HN 0.441 nan 8.180 nan 0.000 0.571 527 Y N -0.574 120.085 120.300 0.598 0.000 2.644 527 Y HA 0.692 5.242 4.550 0.000 0.000 0.338 527 Y C -1.028 175.116 175.900 0.407 0.000 1.119 527 Y CA -1.957 56.491 58.100 0.580 0.000 1.060 527 Y CB 1.162 40.114 38.460 0.821 0.000 1.294 527 Y HN 0.547 nan 8.280 nan 0.000 0.472 528 Q N 1.671 121.761 119.800 0.485 0.000 2.379 528 Q HA 0.754 5.094 4.340 0.000 0.000 0.278 528 Q C -1.916 174.225 176.000 0.235 0.000 1.068 528 Q CA -1.116 54.826 55.803 0.230 0.000 0.816 528 Q CB 3.284 32.119 28.738 0.163 0.000 1.387 528 Q HN 0.849 nan 8.270 nan 0.000 0.413 529 M N 2.412 122.063 119.600 0.085 0.000 2.327 529 M HA 0.459 4.939 4.480 0.000 0.000 0.298 529 M C -1.261 174.959 176.300 -0.132 0.000 1.065 529 M CA -0.938 54.332 55.300 -0.050 0.000 0.916 529 M CB 2.269 34.784 32.600 -0.143 0.000 1.630 529 M HN 0.603 nan 8.290 nan 0.000 0.442 530 I N 5.054 125.533 120.570 -0.151 0.000 2.307 530 I HA 0.339 4.509 4.170 0.000 0.000 0.287 530 I C -0.443 175.492 176.117 -0.302 0.000 1.054 530 I CA -0.312 60.878 61.300 -0.183 0.000 1.218 530 I CB 0.101 38.023 38.000 -0.129 0.000 1.398 530 I HN 0.634 nan 8.210 nan 0.000 0.475 531 L N 8.643 129.624 121.223 -0.403 0.000 2.305 531 L HA 0.396 4.736 4.340 0.000 0.000 0.281 531 L C -1.900 174.721 176.870 -0.415 0.000 1.085 531 L CA -1.735 52.726 54.840 -0.631 0.000 0.813 531 L CB 0.780 42.285 42.059 -0.924 0.000 1.157 531 L HN 0.289 nan 8.230 nan 0.000 0.436 532 P HA 0.083 nan 4.420 nan 0.000 0.269 532 P C -2.310 174.905 177.300 -0.142 0.000 1.215 532 P CA -1.019 61.957 63.100 -0.207 0.000 0.780 532 P CB 0.211 31.834 31.700 -0.129 0.000 0.898 533 P HA -0.243 nan 4.420 nan 0.000 0.239 533 P C 0.860 178.015 177.300 -0.241 0.000 0.787 533 P CA 1.773 64.713 63.100 -0.266 0.000 1.114 533 P CB -0.665 30.816 31.700 -0.366 0.000 0.735 534 H N -1.633 117.477 119.070 0.065 0.000 3.262 534 H HA 0.075 4.632 4.556 0.000 0.000 0.270 534 H C 0.318 175.712 175.328 0.109 0.000 1.431 534 H CA -0.491 55.599 56.048 0.069 0.000 1.237 534 H CB -1.866 27.926 29.762 0.050 0.000 1.443 534 H HN 0.099 nan 8.280 nan 0.000 0.609 535 F N 2.862 122.797 119.950 -0.025 0.000 2.512 535 F HA -0.118 4.409 4.527 0.000 0.000 0.406 535 F C 0.348 176.149 175.800 0.002 0.000 0.990 535 F CA -0.344 57.596 58.000 -0.100 0.000 1.137 535 F CB 0.222 39.043 39.000 -0.299 0.000 0.960 535 F HN 0.166 nan 8.300 nan 0.000 0.533 536 D N 5.375 125.522 120.400 -0.421 0.000 2.441 536 D HA 0.163 4.803 4.640 0.000 0.000 0.231 536 D C 0.807 176.739 176.300 -0.613 0.000 1.073 536 D CA -0.491 53.264 54.000 -0.409 0.000 0.850 536 D CB 1.130 41.870 40.800 -0.100 0.000 1.062 536 D HN 0.598 nan 8.370 nan 0.000 0.524 537 K N 1.480 121.428 120.400 -0.753 0.000 2.442 537 K HA -0.155 4.165 4.320 0.000 0.000 0.200 537 K C 1.433 178.009 176.600 -0.041 0.000 1.045 537 K CA 1.569 57.606 56.287 -0.416 0.000 0.937 537 K CB 0.151 32.531 32.500 -0.199 0.000 0.757 537 K HN 0.475 nan 8.250 nan 0.000 0.474 538 S N -0.863 114.791 115.700 -0.076 0.000 2.486 538 S HA 0.089 4.559 4.470 0.000 0.000 0.220 538 S C 0.691 175.283 174.600 -0.014 0.000 1.011 538 S CA -0.147 58.041 58.200 -0.021 0.000 0.921 538 S CB 0.224 63.398 63.200 -0.043 0.000 0.785 538 S HN 0.086 nan 8.310 nan 0.000 0.517 539 K N 0.946 121.327 120.400 -0.031 0.000 2.318 539 K HA 0.388 4.709 4.320 0.000 0.000 0.243 539 K C -0.392 176.183 176.600 -0.042 0.000 1.047 539 K CA -0.477 55.746 56.287 -0.106 0.000 0.937 539 K CB 0.346 32.679 32.500 -0.279 0.000 1.225 539 K HN 0.003 nan 8.250 nan 0.000 0.506 540 K N 1.448 121.735 120.400 -0.189 0.000 2.292 540 K HA 0.330 4.650 4.320 0.000 0.000 0.257 540 K C -1.207 175.261 176.600 -0.220 0.000 0.940 540 K CA -0.486 55.758 56.287 -0.071 0.000 0.811 540 K CB 1.247 33.700 32.500 -0.078 0.000 1.120 540 K HN 0.421 nan 8.250 nan 0.000 0.428 541 Y N 1.832 122.171 120.300 0.064 0.000 2.524 541 Y HA 0.369 4.919 4.550 0.000 0.000 0.344 541 Y C -1.998 173.841 175.900 -0.101 0.000 1.012 541 Y CA -2.353 55.750 58.100 0.004 0.000 1.068 541 Y CB 1.605 40.119 38.460 0.089 0.000 1.249 541 Y HN 0.414 nan 8.280 nan 0.000 0.468 542 P HA 0.186 nan 4.420 nan 0.000 0.278 542 P C -1.222 175.973 177.300 -0.175 0.000 1.238 542 P CA -0.224 62.632 63.100 -0.407 0.000 0.794 542 P CB 1.742 32.822 31.700 -1.033 0.000 0.955 543 L N 3.723 124.893 121.223 -0.088 0.000 2.341 543 L HA 0.556 4.896 4.340 0.000 0.000 0.278 543 L C -1.196 175.851 176.870 0.295 0.000 1.005 543 L CA -0.874 54.025 54.840 0.098 0.000 0.818 543 L CB 1.398 43.512 42.059 0.092 0.000 1.259 543 L HN 0.172 nan 8.230 nan 0.000 0.418 544 L N 6.268 127.671 121.223 0.300 0.000 2.342 544 L HA 0.566 4.906 4.340 0.000 0.000 0.276 544 L C -1.110 176.002 176.870 0.403 0.000 0.997 544 L CA -0.265 54.814 54.840 0.397 0.000 0.838 544 L CB 1.125 43.380 42.059 0.326 0.000 1.224 544 L HN 0.416 nan 8.230 nan 0.000 0.416 545 I N 4.141 125.001 120.570 0.484 0.000 2.416 545 I HA 0.214 4.385 4.170 0.000 0.000 0.288 545 I C 0.126 176.512 176.117 0.449 0.000 1.051 545 I CA 0.007 61.585 61.300 0.463 0.000 1.375 545 I CB 0.955 39.257 38.000 0.503 0.000 1.407 545 I HN 0.615 nan 8.210 nan 0.000 0.516 546 D N 7.111 127.742 120.400 0.385 0.000 2.274 546 D HA 0.443 5.083 4.640 0.000 0.000 0.239 546 D C -0.733 175.663 176.300 0.159 0.000 1.104 546 D CA -0.127 54.034 54.000 0.268 0.000 0.840 546 D CB 1.485 42.491 40.800 0.343 0.000 1.100 546 D HN 0.238 nan 8.370 nan 0.000 0.477 547 V N 2.678 122.596 119.914 0.007 0.000 3.001 547 V HA 0.550 4.670 4.120 0.000 0.000 0.314 547 V C -0.503 175.695 176.094 0.174 0.000 1.099 547 V CA -0.729 61.637 62.300 0.110 0.000 0.989 547 V CB 1.707 33.592 31.823 0.103 0.000 1.040 547 V HN 0.667 nan 8.190 nan 0.000 0.434 548 Y N 1.765 122.141 120.300 0.127 0.000 2.975 548 Y HA 0.551 5.101 4.550 0.000 0.000 0.127 548 Y C 1.500 177.568 175.900 0.281 0.000 0.925 548 Y CA 1.321 59.539 58.100 0.196 0.000 1.894 548 Y CB -0.221 38.323 38.460 0.140 0.000 1.270 548 Y HN 1.319 nan 8.280 nan 0.000 0.235 549 A N 1.189 124.126 122.820 0.194 0.000 2.872 549 A HA -0.084 4.236 4.320 0.000 0.000 0.273 549 A C 0.787 178.223 177.584 -0.247 0.000 1.442 549 A CA 1.126 53.208 52.037 0.075 0.000 0.801 549 A CB -2.285 16.810 19.000 0.158 0.000 1.031 549 A HN 1.124 nan 8.150 nan 0.000 0.582 550 G N -1.067 107.339 108.800 -0.657 0.000 2.616 550 G HA2 0.516 4.476 3.960 0.000 0.000 0.268 550 G HA3 0.516 4.476 3.960 0.000 0.000 0.268 550 G C -2.337 172.195 174.900 -0.614 0.000 1.213 550 G CA -1.116 43.151 45.100 -1.388 0.000 0.926 550 G HN 0.293 nan 8.290 nan 0.000 0.523 551 P HA 0.091 nan 4.420 nan 0.000 0.264 551 P C 0.525 177.648 177.300 -0.296 0.000 1.193 551 P CA 0.166 62.931 63.100 -0.559 0.000 0.763 551 P CB 0.720 31.664 31.700 -1.259 0.000 0.810 552 C N 2.742 121.927 119.300 -0.191 0.000 4.432 552 C HA -0.142 4.319 4.460 0.000 0.000 0.294 552 C C 0.859 175.836 174.990 -0.022 0.000 1.398 552 C CA 1.083 59.962 59.018 -0.232 0.000 1.988 552 C CB -2.764 24.714 27.740 -0.438 0.000 1.251 552 C HN 0.774 nan 8.230 nan 0.000 0.791 553 S N -0.113 115.642 115.700 0.091 0.000 2.713 553 S HA 0.673 5.143 4.470 0.000 0.000 0.283 553 S C -0.656 174.091 174.600 0.245 0.000 1.161 553 S CA -0.107 58.252 58.200 0.265 0.000 0.999 553 S CB 1.784 65.210 63.200 0.377 0.000 1.039 553 S HN 0.811 nan 8.310 nan 0.000 0.548 554 Q N 0.079 120.055 119.800 0.293 0.000 2.526 554 Q HA 0.302 4.643 4.340 0.000 0.000 0.238 554 Q C -0.566 175.560 176.000 0.210 0.000 0.866 554 Q CA -0.602 55.363 55.803 0.270 0.000 0.801 554 Q CB 0.901 29.863 28.738 0.375 0.000 1.380 554 Q HN 0.673 nan 8.270 nan 0.000 0.446 555 K N 0.616 121.137 120.400 0.202 0.000 2.356 555 K HA 0.248 4.569 4.320 0.000 0.000 0.195 555 K C 0.163 176.866 176.600 0.171 0.000 1.037 555 K CA 0.464 56.859 56.287 0.181 0.000 1.014 555 K CB 0.884 33.514 32.500 0.218 0.000 0.815 555 K HN 0.489 nan 8.250 nan 0.000 0.507 556 A N 3.019 125.956 122.820 0.195 0.000 2.294 556 A HA 0.358 4.678 4.320 0.000 0.000 0.316 556 A C -0.646 177.020 177.584 0.137 0.000 1.359 556 A CA -0.507 51.651 52.037 0.202 0.000 0.956 556 A CB -0.078 19.107 19.000 0.307 0.000 1.155 556 A HN 0.285 nan 8.150 nan 0.000 0.544 557 D N 0.569 121.014 120.400 0.074 0.000 2.752 557 D HA 0.562 5.202 4.640 0.000 0.000 0.313 557 D C 0.032 176.326 176.300 -0.010 0.000 1.225 557 D CA 0.052 54.069 54.000 0.029 0.000 0.976 557 D CB 1.069 41.861 40.800 -0.014 0.000 1.443 557 D HN 0.269 nan 8.370 nan 0.000 0.515 558 A N -0.710 122.111 122.820 0.003 0.000 2.507 558 A HA 0.672 4.993 4.320 0.000 0.000 0.270 558 A C 0.507 178.027 177.584 -0.106 0.000 1.318 558 A CA 0.097 52.143 52.037 0.016 0.000 0.924 558 A CB -0.934 18.143 19.000 0.127 0.000 1.061 558 A HN 0.714 nan 8.150 nan 0.000 0.516 559 A N -0.296 122.312 122.820 -0.353 0.000 2.316 559 A HA 0.604 4.924 4.320 0.000 0.000 0.284 559 A C -0.397 177.122 177.584 -0.108 0.000 1.115 559 A CA -0.440 51.381 52.037 -0.361 0.000 0.812 559 A CB 0.106 18.722 19.000 -0.640 0.000 1.064 559 A HN 0.620 nan 8.150 nan 0.000 0.489 560 F N 1.896 121.758 119.950 -0.146 0.000 2.384 560 F HA 0.656 5.183 4.527 0.000 0.000 0.338 560 F C 0.472 176.230 175.800 -0.069 0.000 1.103 560 F CA -0.030 57.913 58.000 -0.095 0.000 1.157 560 F CB 0.732 39.687 39.000 -0.076 0.000 1.167 560 F HN 0.625 nan 8.300 nan 0.000 0.529 561 R N 5.361 125.209 120.500 -1.085 0.000 2.707 561 R HA 0.512 4.852 4.340 0.000 0.000 0.272 561 R C -1.725 174.072 176.300 -0.838 0.000 1.011 561 R CA -0.969 54.682 56.100 -0.748 0.000 0.893 561 R CB 1.982 32.092 30.300 -0.318 0.000 1.233 561 R HN 0.705 nan 8.270 nan 0.000 0.464 562 L N 3.928 124.897 121.223 -0.424 0.000 2.445 562 L HA 0.332 4.672 4.340 0.000 0.000 0.252 562 L C -0.733 176.177 176.870 0.067 0.000 1.105 562 L CA -0.603 54.091 54.840 -0.243 0.000 0.943 562 L CB 0.333 42.365 42.059 -0.046 0.000 1.277 562 L HN 0.693 nan 8.230 nan 0.000 0.465 563 N N -0.952 117.729 118.700 -0.031 0.000 3.124 563 N HA 0.189 4.929 4.740 0.000 0.000 0.350 563 N C 0.455 175.679 175.510 -0.476 0.000 1.411 563 N CA -0.759 52.227 53.050 -0.106 0.000 0.729 563 N CB 0.147 38.625 38.487 -0.015 0.000 1.379 563 N HN 0.200 nan 8.380 nan 0.000 0.599 564 W N 0.153 120.856 121.300 -0.996 0.000 2.388 564 W HA 0.253 4.914 4.660 0.000 0.000 0.294 564 W C 2.086 178.527 176.519 -0.130 0.000 1.212 564 W CA 2.224 59.120 57.345 -0.749 0.000 1.271 564 W CB -0.939 28.172 29.460 -0.581 0.000 1.126 564 W HN 0.643 nan 8.180 nan 0.000 0.535 565 A N -0.343 122.461 122.820 -0.027 0.000 1.978 565 A HA -0.210 4.110 4.320 0.000 0.000 0.220 565 A C 1.917 179.419 177.584 -0.136 0.000 1.170 565 A CA 2.436 54.403 52.037 -0.118 0.000 0.636 565 A CB -1.240 17.773 19.000 0.022 0.000 0.810 565 A HN 0.302 nan 8.150 nan 0.000 0.448 566 T N -1.311 113.197 114.554 -0.077 0.000 2.674 566 T HA -0.199 4.151 4.350 0.000 0.000 0.265 566 T C 1.813 176.588 174.700 0.125 0.000 1.039 566 T CA 1.729 63.786 62.100 -0.071 0.000 1.150 566 T CB -0.499 68.207 68.868 -0.270 0.000 0.864 566 T HN 0.694 nan 8.240 nan 0.000 0.427 567 Y N 2.038 122.452 120.300 0.191 0.000 2.181 567 Y HA -0.050 4.501 4.550 0.000 0.000 0.288 567 Y C 1.983 177.840 175.900 -0.071 0.000 1.146 567 Y CA 0.989 59.173 58.100 0.140 0.000 1.164 567 Y CB -0.728 37.760 38.460 0.048 0.000 0.982 567 Y HN 0.112 nan 8.280 nan 0.000 0.515 568 L N 0.064 120.934 121.223 -0.588 0.000 2.127 568 L HA -0.246 4.094 4.340 0.000 0.000 0.211 568 L C 2.721 179.334 176.870 -0.428 0.000 1.089 568 L CA 1.330 55.739 54.840 -0.719 0.000 0.757 568 L CB -0.883 40.781 42.059 -0.658 0.000 0.899 568 L HN 0.470 nan 8.230 nan 0.000 0.434 569 A N -1.337 121.313 122.820 -0.282 0.000 1.887 569 A HA -0.136 4.184 4.320 0.000 0.000 0.212 569 A C 2.479 179.973 177.584 -0.150 0.000 1.198 569 A CA 1.297 53.213 52.037 -0.201 0.000 0.628 569 A CB -0.536 18.348 19.000 -0.193 0.000 0.847 569 A HN 0.300 nan 8.150 nan 0.000 0.449 570 S N -0.756 114.881 115.700 -0.105 0.000 2.368 570 S HA -0.132 4.338 4.470 0.000 0.000 0.225 570 S C 1.767 176.349 174.600 -0.029 0.000 1.030 570 S CA 2.407 60.590 58.200 -0.028 0.000 0.999 570 S CB -0.324 62.938 63.200 0.102 0.000 0.844 570 S HN 0.556 nan 8.310 nan 0.000 0.459 571 T N 0.546 115.032 114.554 -0.114 0.000 2.990 571 T HA 0.258 4.608 4.350 0.000 0.000 0.249 571 T C 1.128 175.740 174.700 -0.147 0.000 1.039 571 T CA 0.084 62.128 62.100 -0.093 0.000 1.036 571 T CB 0.153 69.014 68.868 -0.010 0.000 0.994 571 T HN 0.305 nan 8.240 nan 0.000 0.489 572 E N 1.340 121.376 120.200 -0.273 0.000 2.498 572 E HA 0.197 4.547 4.350 0.000 0.000 0.203 572 E C 0.066 176.625 176.600 -0.070 0.000 1.013 572 E CA -0.105 56.191 56.400 -0.174 0.000 0.927 572 E CB 0.091 29.634 29.700 -0.261 0.000 1.012 572 E HN 0.262 nan 8.360 nan 0.000 0.482 573 N N 0.983 119.651 118.700 -0.054 0.000 2.740 573 N HA -0.191 4.549 4.740 0.000 0.000 0.248 573 N C -0.609 174.952 175.510 0.085 0.000 1.062 573 N CA 0.718 53.805 53.050 0.062 0.000 0.704 573 N CB -1.385 37.197 38.487 0.159 0.000 0.968 573 N HN 0.289 nan 8.380 nan 0.000 0.547 574 I N 0.760 121.306 120.570 -0.040 0.000 2.460 574 I HA 0.383 4.553 4.170 0.000 0.000 0.298 574 I C 0.930 176.988 176.117 -0.098 0.000 0.989 574 I CA -0.745 60.536 61.300 -0.033 0.000 1.173 574 I CB 1.592 39.585 38.000 -0.011 0.000 1.338 574 I HN -0.082 nan 8.210 nan 0.000 0.456 575 I N 5.929 126.448 120.570 -0.084 0.000 2.312 575 I HA 0.196 4.366 4.170 0.000 0.000 0.291 575 I C -0.448 175.634 176.117 -0.059 0.000 1.031 575 I CA -0.567 60.637 61.300 -0.159 0.000 1.293 575 I CB 1.136 39.026 38.000 -0.184 0.000 1.403 575 I HN 0.203 nan 8.210 nan 0.000 0.484 576 V N 6.598 126.472 119.914 -0.068 0.000 2.350 576 V HA 0.600 4.720 4.120 0.000 0.000 0.276 576 V C 0.401 176.527 176.094 0.054 0.000 1.028 576 V CA -0.413 61.912 62.300 0.042 0.000 0.860 576 V CB 1.048 32.895 31.823 0.040 0.000 0.990 576 V HN 0.827 nan 8.190 nan 0.000 0.453 577 A N 3.994 126.892 122.820 0.130 0.000 2.365 577 A HA 0.891 5.211 4.320 0.000 0.000 0.318 577 A C -0.211 177.571 177.584 0.329 0.000 1.091 577 A CA -0.493 51.635 52.037 0.151 0.000 0.763 577 A CB 1.726 20.686 19.000 -0.067 0.000 1.248 577 A HN 0.665 nan 8.150 nan 0.000 0.442 578 S N 0.367 116.295 115.700 0.379 0.000 2.513 578 S HA 0.758 5.229 4.470 0.000 0.000 0.299 578 S C -1.355 173.605 174.600 0.600 0.000 1.087 578 S CA -0.288 58.167 58.200 0.425 0.000 1.012 578 S CB 1.201 64.588 63.200 0.312 0.000 1.044 578 S HN 0.730 nan 8.310 nan 0.000 0.485 579 F N 2.248 122.429 119.950 0.384 0.000 2.536 579 F HA 0.392 4.919 4.527 0.000 0.000 0.322 579 F C -1.288 174.701 175.800 0.315 0.000 1.144 579 F CA -0.879 57.360 58.000 0.399 0.000 0.924 579 F CB 1.211 40.398 39.000 0.312 0.000 1.181 579 F HN 0.386 nan 8.300 nan 0.000 0.438 580 D N 5.285 125.526 120.400 -0.264 0.000 2.453 580 D HA 0.282 4.922 4.640 0.000 0.000 0.223 580 D C 0.551 176.542 176.300 -0.514 0.000 1.183 580 D CA 0.269 54.147 54.000 -0.203 0.000 0.933 580 D CB 1.230 42.062 40.800 0.053 0.000 1.038 580 D HN 0.755 nan 8.370 nan 0.000 0.513 581 G N 1.399 109.920 108.800 -0.465 0.000 2.574 581 G HA2 0.236 4.196 3.960 0.000 0.000 0.248 581 G HA3 0.236 4.196 3.960 0.000 0.000 0.248 581 G C 0.267 175.148 174.900 -0.032 0.000 1.422 581 G CA -0.687 44.200 45.100 -0.355 0.000 1.051 581 G HN 0.293 nan 8.290 nan 0.000 0.560 582 R N -0.796 119.674 120.500 -0.051 0.000 2.623 582 R HA 0.369 4.710 4.340 0.000 0.000 0.271 582 R C 1.274 177.604 176.300 0.050 0.000 1.043 582 R CA 1.372 57.522 56.100 0.083 0.000 1.083 582 R CB 0.478 30.810 30.300 0.053 0.000 0.974 582 R HN 1.042 nan 8.270 nan 0.000 0.436 583 G N 1.006 109.833 108.800 0.046 0.000 2.199 583 G HA2 -0.340 3.620 3.960 0.000 0.000 0.254 583 G HA3 -0.340 3.620 3.960 0.000 0.000 0.254 583 G C 0.263 175.143 174.900 -0.034 0.000 0.982 583 G CA 0.386 45.492 45.100 0.009 0.000 0.632 583 G HN 0.736 nan 8.290 nan 0.000 0.529 584 S N 0.498 116.195 115.700 -0.005 0.000 2.640 584 S HA 0.681 5.151 4.470 0.000 0.000 0.262 584 S C 1.813 176.372 174.600 -0.068 0.000 1.232 584 S CA 0.661 58.854 58.200 -0.012 0.000 0.988 584 S CB 0.694 63.918 63.200 0.040 0.000 1.034 584 S HN 2.062 nan 8.310 nan 0.000 0.569 585 G N 0.185 108.960 108.800 -0.041 0.000 2.540 585 G HA2 -0.231 3.729 3.960 0.000 0.000 1.025 585 G HA3 -0.231 3.729 3.960 0.000 0.000 1.025 585 G C -0.428 174.259 174.900 -0.355 0.000 1.306 585 G CA 0.888 45.911 45.100 -0.129 0.000 0.900 585 G HN 0.862 nan 8.290 nan 0.000 0.708 586 Y N 0.546 120.846 120.300 -0.001 0.000 2.812 586 Y HA 0.485 5.035 4.550 0.000 0.000 0.354 586 Y C 1.178 177.053 175.900 -0.040 0.000 1.276 586 Y CA -0.163 57.921 58.100 -0.027 0.000 1.639 586 Y CB 0.212 38.684 38.460 0.021 0.000 1.741 586 Y HN 0.351 nan 8.280 nan 0.000 0.479 587 Q N 0.637 120.415 119.800 -0.036 0.000 2.106 587 Q HA 0.445 4.786 4.340 0.000 0.000 0.273 587 Q C 0.349 176.177 176.000 -0.287 0.000 0.853 587 Q CA -0.194 55.590 55.803 -0.031 0.000 1.118 587 Q CB 1.476 30.207 28.738 -0.012 0.000 1.240 587 Q HN 0.646 nan 8.270 nan 0.000 0.445 588 G N 0.618 109.113 108.800 -0.509 0.000 2.692 588 G HA2 -0.186 3.775 3.960 0.000 0.000 0.686 588 G HA3 -0.186 3.775 3.960 0.000 0.000 0.686 588 G C -0.366 174.135 174.900 -0.665 0.000 1.243 588 G CA -0.572 43.960 45.100 -0.947 0.000 0.782 588 G HN 0.159 nan 8.290 nan 0.000 0.625 589 D N 0.199 120.185 120.400 -0.691 0.000 2.218 589 D HA -0.081 4.559 4.640 0.000 0.000 0.204 589 D C 2.200 178.209 176.300 -0.485 0.000 0.976 589 D CA 1.339 54.903 54.000 -0.726 0.000 0.853 589 D CB 0.017 40.406 40.800 -0.686 0.000 0.939 589 D HN 0.633 nan 8.370 nan 0.000 0.481 590 K N 0.687 120.870 120.400 -0.362 0.000 2.044 590 K HA -0.154 4.166 4.320 0.000 0.000 0.210 590 K C 2.142 178.660 176.600 -0.135 0.000 1.049 590 K CA 1.030 57.200 56.287 -0.194 0.000 0.927 590 K CB -0.133 32.273 32.500 -0.156 0.000 0.713 590 K HN 0.110 nan 8.250 nan 0.000 0.443 591 I N 0.494 120.966 120.570 -0.164 0.000 2.233 591 I HA -0.254 3.916 4.170 0.000 0.000 0.243 591 I C 2.713 178.782 176.117 -0.079 0.000 1.093 591 I CA 1.046 62.313 61.300 -0.054 0.000 1.380 591 I CB -0.142 37.833 38.000 -0.041 0.000 1.067 591 I HN 0.344 nan 8.210 nan 0.000 0.413 592 M N 0.067 119.535 119.600 -0.221 0.000 2.132 592 M HA -0.212 4.268 4.480 0.000 0.000 0.263 592 M C 1.965 178.193 176.300 -0.121 0.000 1.065 592 M CA 1.817 56.983 55.300 -0.223 0.000 1.122 592 M CB -0.230 32.121 32.600 -0.414 0.000 1.365 592 M HN 0.247 nan 8.290 nan 0.000 0.411 593 H N -0.121 118.791 119.070 -0.264 0.000 2.547 593 H HA 0.232 4.789 4.556 0.000 0.000 0.266 593 H C 1.823 177.113 175.328 -0.064 0.000 0.988 593 H CA 0.733 56.627 56.048 -0.257 0.000 1.147 593 H CB -0.503 29.037 29.762 -0.370 0.000 1.365 593 H HN 0.487 nan 8.280 nan 0.000 0.589 594 A N 0.703 123.567 122.820 0.073 0.000 2.070 594 A HA -0.096 4.224 4.320 0.000 0.000 0.220 594 A C 2.028 179.660 177.584 0.081 0.000 1.159 594 A CA 0.858 52.936 52.037 0.068 0.000 0.656 594 A CB -0.284 18.753 19.000 0.062 0.000 0.800 594 A HN 0.194 nan 8.150 nan 0.000 0.453 595 I N -0.209 120.425 120.570 0.107 0.000 3.226 595 I HA -0.015 4.155 4.170 0.000 0.000 0.277 595 I C 0.668 176.855 176.117 0.117 0.000 1.243 595 I CA -0.079 61.273 61.300 0.088 0.000 1.459 595 I CB -1.850 36.179 38.000 0.048 0.000 1.093 595 I HN 0.287 nan 8.210 nan 0.000 0.453 596 N N 2.937 121.760 118.700 0.205 0.000 2.131 596 N HA -0.204 4.536 4.740 0.000 0.000 0.276 596 N C 0.771 176.358 175.510 0.128 0.000 1.295 596 N CA 0.768 53.949 53.050 0.218 0.000 0.818 596 N CB 0.245 38.825 38.487 0.156 0.000 1.049 596 N HN 0.053 nan 8.380 nan 0.000 0.484 597 K N -0.038 120.423 120.400 0.101 0.000 3.426 597 K HA -0.256 4.064 4.320 0.000 0.000 0.315 597 K C -0.614 176.101 176.600 0.191 0.000 1.293 597 K CA 1.492 57.841 56.287 0.104 0.000 0.955 597 K CB -1.370 31.199 32.500 0.115 0.000 1.238 597 K HN 0.882 nan 8.250 nan 0.000 0.441 598 R N -0.340 120.201 120.500 0.069 0.000 2.640 598 R HA 0.403 4.743 4.340 0.000 0.000 0.240 598 R C -0.036 176.235 176.300 -0.048 0.000 1.519 598 R CA -0.549 55.540 56.100 -0.019 0.000 1.570 598 R CB -0.215 30.035 30.300 -0.084 0.000 1.446 598 R HN -0.065 nan 8.270 nan 0.000 0.738 599 L N 0.847 122.016 121.223 -0.091 0.000 2.476 599 L HA 0.447 4.787 4.340 0.000 0.000 0.264 599 L C 1.304 178.285 176.870 0.185 0.000 1.224 599 L CA 0.683 55.522 54.840 -0.002 0.000 0.821 599 L CB 0.459 42.362 42.059 -0.260 0.000 1.101 599 L HN 0.865 nan 8.230 nan 0.000 0.488 600 G N 0.479 109.490 108.800 0.352 0.000 2.153 600 G HA2 -0.253 3.708 3.960 0.000 0.000 0.252 600 G HA3 -0.253 3.708 3.960 0.000 0.000 0.252 600 G C 0.347 175.280 174.900 0.056 0.000 0.994 600 G CA 0.510 45.760 45.100 0.251 0.000 0.698 600 G HN 0.699 nan 8.290 nan 0.000 0.521 601 T N -0.396 114.184 114.554 0.044 0.000 2.312 601 T HA 0.376 4.726 4.350 0.000 0.000 0.175 601 T C 2.319 177.018 174.700 -0.001 0.000 0.727 601 T CA 0.267 62.362 62.100 -0.007 0.000 1.333 601 T CB -0.199 68.650 68.868 -0.032 0.000 2.928 601 T HN 0.071 nan 8.240 nan 0.000 0.403 602 L N 2.063 123.289 121.223 0.005 0.000 2.043 602 L HA -0.155 4.185 4.340 0.000 0.000 0.212 602 L C 2.942 179.822 176.870 0.016 0.000 1.075 602 L CA 1.798 56.642 54.840 0.006 0.000 0.752 602 L CB -0.922 41.146 42.059 0.014 0.000 0.891 602 L HN 0.611 nan 8.230 nan 0.000 0.432 603 E N 0.827 121.053 120.200 0.044 0.000 2.160 603 E HA -0.170 4.180 4.350 0.000 0.000 0.195 603 E C 2.054 178.693 176.600 0.065 0.000 0.991 603 E CA 1.770 58.212 56.400 0.070 0.000 0.810 603 E CB -0.634 29.136 29.700 0.116 0.000 0.742 603 E HN 0.407 nan 8.360 nan 0.000 0.466 604 V N 1.614 121.542 119.914 0.024 0.000 2.283 604 V HA -0.203 3.917 4.120 0.000 0.000 0.243 604 V C 2.408 178.484 176.094 -0.030 0.000 1.039 604 V CA 2.034 64.315 62.300 -0.031 0.000 1.016 604 V CB -0.696 31.068 31.823 -0.099 0.000 0.650 604 V HN 0.183 nan 8.190 nan 0.000 0.449 605 E N 0.507 120.689 120.200 -0.030 0.000 2.049 605 E HA -0.284 4.066 4.350 0.000 0.000 0.198 605 E C 1.960 178.537 176.600 -0.039 0.000 1.007 605 E CA 1.789 58.167 56.400 -0.036 0.000 0.809 605 E CB -0.315 29.364 29.700 -0.035 0.000 0.749 605 E HN 0.563 nan 8.360 nan 0.000 0.450 606 D N 0.147 120.533 120.400 -0.023 0.000 2.228 606 D HA -0.178 4.462 4.640 0.000 0.000 0.203 606 D C 1.892 178.189 176.300 -0.005 0.000 0.988 606 D CA 0.991 54.981 54.000 -0.016 0.000 0.864 606 D CB -0.180 40.649 40.800 0.048 0.000 0.928 606 D HN 0.065 nan 8.370 nan 0.000 0.469 607 Q N -0.187 119.648 119.800 0.058 0.000 2.172 607 Q HA 0.054 4.394 4.340 0.000 0.000 0.200 607 Q C 2.027 178.038 176.000 0.018 0.000 0.964 607 Q CA 0.641 56.496 55.803 0.085 0.000 0.855 607 Q CB 0.016 28.815 28.738 0.102 0.000 0.918 607 Q HN 0.346 nan 8.270 nan 0.000 0.444 608 I N -0.302 120.275 120.570 0.011 0.000 2.277 608 I HA -0.165 4.005 4.170 0.000 0.000 0.243 608 I C 2.141 178.195 176.117 -0.104 0.000 1.094 608 I CA 0.687 62.037 61.300 0.083 0.000 1.393 608 I CB -0.247 37.797 38.000 0.073 0.000 1.078 608 I HN 0.136 nan 8.210 nan 0.000 0.417 609 E N 1.340 121.431 120.200 -0.181 0.000 2.086 609 E HA -0.269 4.082 4.350 0.000 0.000 0.200 609 E C 2.270 178.578 176.600 -0.487 0.000 1.012 609 E CA 1.783 58.020 56.400 -0.273 0.000 0.812 609 E CB -0.323 29.228 29.700 -0.247 0.000 0.743 609 E HN 0.472 nan 8.360 nan 0.000 0.453 610 A N 1.046 123.416 122.820 -0.749 0.000 1.892 610 A HA -0.191 4.130 4.320 0.000 0.000 0.218 610 A C 2.447 179.306 177.584 -1.207 0.000 1.188 610 A CA 2.714 53.981 52.037 -1.283 0.000 0.631 610 A CB -0.810 17.177 19.000 -1.688 0.000 0.822 610 A HN 0.321 nan 8.150 nan 0.000 0.447 611 A N -0.467 121.979 122.820 -0.624 0.000 1.908 611 A HA -0.184 4.136 4.320 0.000 0.000 0.218 611 A C 2.234 179.603 177.584 -0.358 0.000 1.181 611 A CA 1.529 53.340 52.037 -0.376 0.000 0.627 611 A CB -0.505 18.355 19.000 -0.233 0.000 0.818 611 A HN 0.474 nan 8.150 nan 0.000 0.445 612 R N -0.519 119.779 120.500 -0.335 0.000 2.094 612 R HA -0.167 4.173 4.340 0.000 0.000 0.239 612 R C 2.249 178.392 176.300 -0.261 0.000 1.137 612 R CA 1.656 57.603 56.100 -0.255 0.000 0.943 612 R CB -0.769 29.403 30.300 -0.213 0.000 0.850 612 R HN 0.602 nan 8.270 nan 0.000 0.433 613 Q N 0.036 119.618 119.800 -0.363 0.000 2.096 613 Q HA -0.093 4.247 4.340 0.000 0.000 0.204 613 Q C 2.228 178.114 176.000 -0.190 0.000 0.982 613 Q CA 1.459 57.075 55.803 -0.311 0.000 0.850 613 Q CB -0.516 27.969 28.738 -0.422 0.000 0.901 613 Q HN 0.474 nan 8.270 nan 0.000 0.422 614 F N 0.362 120.138 119.950 -0.290 0.000 2.216 614 F HA -0.175 4.352 4.527 0.000 0.000 0.300 614 F C 2.231 177.830 175.800 -0.336 0.000 1.085 614 F CA 0.131 57.948 58.000 -0.305 0.000 1.326 614 F CB -0.113 38.746 39.000 -0.234 0.000 1.027 614 F HN 0.042 nan 8.300 nan 0.000 0.497 615 L N 0.131 121.297 121.223 -0.094 0.000 2.044 615 L HA -0.197 4.143 4.340 0.000 0.000 0.205 615 L C 2.266 179.023 176.870 -0.189 0.000 1.075 615 L CA 1.361 56.109 54.840 -0.154 0.000 0.747 615 L CB -0.596 41.377 42.059 -0.143 0.000 0.903 615 L HN 0.027 nan 8.230 nan 0.000 0.435 616 K N -0.140 120.162 120.400 -0.163 0.000 2.281 616 K HA -0.155 4.165 4.320 0.000 0.000 0.203 616 K C 1.981 178.475 176.600 -0.176 0.000 1.046 616 K CA 1.246 57.447 56.287 -0.144 0.000 0.938 616 K CB -0.159 32.271 32.500 -0.117 0.000 0.737 616 K HN 0.331 nan 8.250 nan 0.000 0.458 617 M N -0.680 118.763 119.600 -0.261 0.000 2.549 617 M HA -0.071 4.409 4.480 0.000 0.000 0.260 617 M C 1.485 177.479 176.300 -0.510 0.000 1.076 617 M CA 1.196 56.276 55.300 -0.367 0.000 1.090 617 M CB 0.033 32.334 32.600 -0.500 0.000 1.418 617 M HN 0.528 nan 8.290 nan 0.000 0.486 618 G N 0.868 109.403 108.800 -0.441 0.000 2.729 618 G HA2 -0.326 3.634 3.960 0.000 0.000 0.216 618 G HA3 -0.326 3.634 3.960 0.000 0.000 0.216 618 G C 0.528 175.302 174.900 -0.211 0.000 1.252 618 G CA 0.238 45.175 45.100 -0.271 0.000 0.751 618 G HN 0.555 nan 8.290 nan 0.000 0.527 619 F N 1.882 121.895 119.950 0.106 0.000 2.772 619 F HA 0.667 5.194 4.527 0.000 0.000 0.302 619 F C 0.457 176.386 175.800 0.214 0.000 1.225 619 F CA -0.514 57.603 58.000 0.195 0.000 1.429 619 F CB -0.324 38.890 39.000 0.357 0.000 1.104 619 F HN 0.157 nan 8.300 nan 0.000 0.550 620 V N 1.195 121.123 119.914 0.023 0.000 2.495 620 V HA 0.143 4.263 4.120 0.000 0.000 0.298 620 V C -0.388 175.698 176.094 -0.013 0.000 1.031 620 V CA -1.014 61.319 62.300 0.053 0.000 0.871 620 V CB 1.627 33.431 31.823 -0.031 0.000 0.988 620 V HN 0.065 nan 8.190 nan 0.000 0.432 621 D N 3.392 123.781 120.400 -0.018 0.000 2.383 621 D HA 0.020 4.660 4.640 0.000 0.000 0.245 621 D C 1.538 177.788 176.300 -0.083 0.000 1.263 621 D CA 0.483 54.443 54.000 -0.068 0.000 0.936 621 D CB 1.194 41.930 40.800 -0.107 0.000 1.053 621 D HN 0.701 nan 8.370 nan 0.000 0.507 622 S N 3.850 119.503 115.700 -0.079 0.000 2.440 622 S HA -0.193 4.277 4.470 0.000 0.000 0.240 622 S C 1.440 175.996 174.600 -0.072 0.000 1.014 622 S CA 0.739 58.886 58.200 -0.088 0.000 0.980 622 S CB -0.003 63.146 63.200 -0.086 0.000 0.775 622 S HN 0.307 nan 8.310 nan 0.000 0.499 623 K N 0.721 121.085 120.400 -0.060 0.000 2.459 623 K HA 0.225 4.545 4.320 0.000 0.000 0.193 623 K C 0.301 176.897 176.600 -0.008 0.000 1.030 623 K CA 0.308 56.575 56.287 -0.032 0.000 1.026 623 K CB -0.005 32.476 32.500 -0.031 0.000 0.809 623 K HN 0.395 nan 8.250 nan 0.000 0.504 624 R N 0.356 120.824 120.500 -0.054 0.000 2.687 624 R HA 0.239 4.579 4.340 0.000 0.000 0.264 624 R C -1.443 174.844 176.300 -0.023 0.000 1.715 624 R CA -0.132 55.938 56.100 -0.051 0.000 1.633 624 R CB 1.196 31.261 30.300 -0.393 0.000 1.353 624 R HN -0.232 nan 8.270 nan 0.000 0.653 625 V N 1.349 121.371 119.914 0.179 0.000 2.409 625 V HA 0.832 4.952 4.120 0.000 0.000 0.291 625 V C 0.018 176.364 176.094 0.420 0.000 1.020 625 V CA -0.744 61.667 62.300 0.184 0.000 0.848 625 V CB 1.552 33.285 31.823 -0.150 0.000 0.990 625 V HN 0.620 nan 8.190 nan 0.000 0.430 626 A N 4.973 128.142 122.820 0.581 0.000 2.389 626 A HA 1.020 5.340 4.320 0.000 0.000 0.293 626 A C -0.911 177.055 177.584 0.637 0.000 1.186 626 A CA -0.841 51.527 52.037 0.551 0.000 0.828 626 A CB 1.840 21.023 19.000 0.306 0.000 1.369 626 A HN 0.934 nan 8.150 nan 0.000 0.446 627 I N -0.021 120.844 120.570 0.492 0.000 2.731 627 I HA 0.530 4.700 4.170 0.000 0.000 0.289 627 I C -2.193 174.190 176.117 0.444 0.000 1.399 627 I CA -0.482 61.064 61.300 0.409 0.000 1.048 627 I CB 1.408 39.440 38.000 0.053 0.000 1.345 627 I HN 0.954 nan 8.210 nan 0.000 0.425 628 W N 7.104 128.542 121.300 0.229 0.000 3.107 628 W HA 0.903 5.563 4.660 0.000 0.000 0.331 628 W C -1.259 175.403 176.519 0.239 0.000 1.204 628 W CA -1.281 56.195 57.345 0.218 0.000 1.184 628 W CB 1.157 30.785 29.460 0.279 0.000 1.421 628 W HN 0.781 nan 8.180 nan 0.000 0.544 629 G N 0.872 109.645 108.800 -0.044 0.000 2.677 629 G HA2 0.540 4.500 3.960 0.000 0.000 0.291 629 G HA3 0.540 4.500 3.960 0.000 0.000 0.291 629 G C -2.690 172.192 174.900 -0.030 0.000 1.435 629 G CA -0.690 44.277 45.100 -0.222 0.000 0.826 629 G HN 0.586 nan 8.290 nan 0.000 0.491 630 W N 0.945 122.168 121.300 -0.128 0.000 2.736 630 W HA 0.556 5.216 4.660 0.000 0.000 0.335 630 W C 0.945 177.546 176.519 0.135 0.000 1.059 630 W CA 0.295 57.631 57.345 -0.016 0.000 1.226 630 W CB 1.976 31.405 29.460 -0.051 0.000 1.416 630 W HN 1.201 nan 8.180 nan 0.000 0.505 631 S N 3.086 119.075 115.700 0.481 0.000 4.150 631 S HA -0.446 4.024 4.470 0.000 0.000 0.551 631 S C 1.258 175.998 174.600 0.232 0.000 1.874 631 S CA 2.206 60.680 58.200 0.456 0.000 4.241 631 S CB -1.910 61.717 63.200 0.712 0.000 0.292 631 S HN 0.734 nan 8.310 nan 0.000 0.469 632 Y N 2.486 122.855 120.300 0.116 0.000 2.224 632 Y HA 0.075 4.626 4.550 0.000 0.000 0.289 632 Y C 2.523 178.391 175.900 -0.054 0.000 1.146 632 Y CA 2.575 60.618 58.100 -0.094 0.000 1.182 632 Y CB -1.067 37.081 38.460 -0.521 0.000 0.983 632 Y HN 0.558 nan 8.280 nan 0.000 0.524 633 G N -0.771 108.113 108.800 0.140 0.000 2.418 633 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 633 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 633 G C 1.892 176.834 174.900 0.070 0.000 1.158 633 G CA 0.763 45.952 45.100 0.147 0.000 0.771 633 G HN 0.569 nan 8.290 nan 0.000 0.545 634 G N -0.287 108.562 108.800 0.082 0.000 2.432 634 G HA2 -0.248 3.712 3.960 0.000 0.000 0.219 634 G HA3 -0.248 3.712 3.960 0.000 0.000 0.219 634 G C 1.601 176.516 174.900 0.026 0.000 1.135 634 G CA 1.139 46.262 45.100 0.038 0.000 0.767 634 G HN 0.442 nan 8.290 nan 0.000 0.550 635 Y N 1.503 121.702 120.300 -0.169 0.000 2.114 635 Y HA -0.144 4.406 4.550 0.000 0.000 0.284 635 Y C 2.750 178.531 175.900 -0.198 0.000 1.143 635 Y CA 1.692 59.632 58.100 -0.267 0.000 1.135 635 Y CB -0.508 37.643 38.460 -0.515 0.000 0.980 635 Y HN 0.037 nan 8.280 nan 0.000 0.499 636 V N -0.455 119.269 119.914 -0.317 0.000 2.358 636 V HA -0.301 3.819 4.120 0.000 0.000 0.246 636 V C 2.337 178.284 176.094 -0.245 0.000 1.047 636 V CA 2.331 64.430 62.300 -0.335 0.000 1.035 636 V CB -1.349 30.425 31.823 -0.082 0.000 0.658 636 V HN 0.460 nan 8.190 nan 0.000 0.452 637 T N 0.149 114.629 114.554 -0.124 0.000 2.653 637 T HA -0.241 4.109 4.350 0.000 0.000 0.268 637 T C 2.166 176.797 174.700 -0.115 0.000 1.035 637 T CA 2.217 64.266 62.100 -0.085 0.000 1.154 637 T CB -0.311 68.589 68.868 0.052 0.000 0.862 637 T HN 0.520 nan 8.240 nan 0.000 0.441 638 S N 0.782 116.444 115.700 -0.063 0.000 2.355 638 S HA 0.001 4.472 4.470 0.000 0.000 0.222 638 S C 2.149 176.662 174.600 -0.145 0.000 1.031 638 S CA 0.928 59.120 58.200 -0.013 0.000 0.993 638 S CB -0.282 62.956 63.200 0.064 0.000 0.859 638 S HN 0.335 nan 8.310 nan 0.000 0.453 639 M N 0.934 120.345 119.600 -0.315 0.000 2.159 639 M HA -0.059 4.421 4.480 0.000 0.000 0.263 639 M C 2.146 178.272 176.300 -0.291 0.000 1.063 639 M CA 1.080 56.175 55.300 -0.342 0.000 1.110 639 M CB -1.239 31.030 32.600 -0.553 0.000 1.374 639 M HN 0.192 nan 8.290 nan 0.000 0.411 640 V N 0.562 120.283 119.914 -0.322 0.000 2.244 640 V HA -0.241 3.879 4.120 0.000 0.000 0.244 640 V C 2.501 178.354 176.094 -0.402 0.000 1.042 640 V CA 1.372 63.458 62.300 -0.357 0.000 1.006 640 V CB -0.655 30.870 31.823 -0.496 0.000 0.641 640 V HN 0.395 nan 8.190 nan 0.000 0.446 641 L N 0.570 121.506 121.223 -0.479 0.000 2.129 641 L HA -0.142 4.198 4.340 0.000 0.000 0.212 641 L C 2.206 178.559 176.870 -0.861 0.000 1.087 641 L CA 1.694 56.167 54.840 -0.611 0.000 0.757 641 L CB -0.822 40.817 42.059 -0.701 0.000 0.896 641 L HN 0.521 nan 8.230 nan 0.000 0.434 642 G N -1.504 106.810 108.800 -0.810 0.000 3.233 642 G HA2 -0.026 3.934 3.960 0.000 0.000 0.227 642 G HA3 -0.026 3.934 3.960 0.000 0.000 0.227 642 G C 1.409 176.168 174.900 -0.236 0.000 1.175 642 G CA 0.557 45.316 45.100 -0.568 0.000 0.781 642 G HN 0.457 nan 8.290 nan 0.000 0.542 643 S N -0.801 114.762 115.700 -0.229 0.000 2.528 643 S HA 0.299 4.769 4.470 0.000 0.000 0.219 643 S C 1.896 176.440 174.600 -0.093 0.000 0.985 643 S CA 0.832 58.953 58.200 -0.130 0.000 0.914 643 S CB -0.038 63.092 63.200 -0.117 0.000 0.776 643 S HN 1.284 nan 8.310 nan 0.000 0.526 644 G N 1.876 110.607 108.800 -0.114 0.000 2.225 644 G HA2 -0.338 3.622 3.960 0.000 0.000 0.267 644 G HA3 -0.338 3.622 3.960 0.000 0.000 0.267 644 G C 0.839 175.719 174.900 -0.032 0.000 1.024 644 G CA 0.771 45.831 45.100 -0.067 0.000 0.784 644 G HN 1.253 nan 8.290 nan 0.000 0.507 645 S N -0.950 114.740 115.700 -0.016 0.000 2.515 645 S HA 0.321 4.791 4.470 0.000 0.000 0.231 645 S C 2.499 177.110 174.600 0.019 0.000 0.987 645 S CA 1.387 59.594 58.200 0.011 0.000 0.936 645 S CB -0.136 63.094 63.200 0.049 0.000 0.766 645 S HN 2.356 nan 8.310 nan 0.000 0.528 646 G N 0.432 109.248 108.800 0.025 0.000 2.228 646 G HA2 -0.340 3.620 3.960 0.000 0.000 0.270 646 G HA3 -0.340 3.620 3.960 0.000 0.000 0.270 646 G C 0.848 175.758 174.900 0.017 0.000 0.976 646 G CA 0.533 45.645 45.100 0.019 0.000 0.636 646 G HN 0.746 nan 8.290 nan 0.000 0.542 647 V N -0.451 119.481 119.914 0.029 0.000 2.626 647 V HA 0.214 4.334 4.120 0.000 0.000 0.252 647 V C 1.146 177.075 176.094 -0.275 0.000 1.067 647 V CA 1.544 63.765 62.300 -0.131 0.000 1.081 647 V CB -0.462 31.238 31.823 -0.206 0.000 0.686 647 V HN 0.314 nan 8.190 nan 0.000 0.468 648 F N -0.594 119.358 119.950 0.004 0.000 2.480 648 F HA 0.451 4.979 4.527 0.000 0.000 0.329 648 F C 0.979 176.810 175.800 0.050 0.000 1.091 648 F CA -0.959 57.069 58.000 0.046 0.000 0.972 648 F CB 1.681 40.708 39.000 0.046 0.000 1.150 648 F HN -0.318 nan 8.300 nan 0.000 0.467 649 K N 1.051 121.607 120.400 0.261 0.000 2.099 649 K HA 0.148 4.468 4.320 0.000 0.000 0.203 649 K C -0.031 176.684 176.600 0.192 0.000 1.047 649 K CA 0.961 57.361 56.287 0.189 0.000 0.963 649 K CB 0.287 32.904 32.500 0.194 0.000 0.759 649 K HN 0.804 nan 8.250 nan 0.000 0.451 650 c N -2.684 116.060 118.600 0.241 0.000 3.340 650 c HA 0.932 5.502 4.570 0.000 0.000 0.333 650 c C -0.093 174.206 174.090 0.348 0.000 1.464 650 c CA -0.535 55.959 56.329 0.275 0.000 1.337 650 c CB 1.041 43.650 42.510 0.165 0.000 1.740 650 c HN 0.409 nan 8.230 nan 0.000 0.450 651 G N -0.382 108.697 108.800 0.465 0.000 2.547 651 G HA2 0.676 4.636 3.960 0.000 0.000 0.291 651 G HA3 0.676 4.636 3.960 0.000 0.000 0.291 651 G C -2.091 173.021 174.900 0.354 0.000 1.471 651 G CA -0.672 44.673 45.100 0.408 0.000 0.798 651 G HN 1.019 nan 8.290 nan 0.000 0.504 652 I N 0.679 121.424 120.570 0.292 0.000 2.478 652 I HA 0.597 4.767 4.170 0.000 0.000 0.287 652 I C 0.147 176.361 176.117 0.162 0.000 1.042 652 I CA -0.958 60.392 61.300 0.083 0.000 1.067 652 I CB 2.167 40.209 38.000 0.070 0.000 1.233 652 I HN 0.680 nan 8.210 nan 0.000 0.431 653 A N 6.563 129.382 122.820 -0.001 0.000 2.271 653 A HA 0.774 5.094 4.320 0.000 0.000 0.317 653 A C -0.626 176.857 177.584 -0.169 0.000 1.245 653 A CA -0.503 51.538 52.037 0.007 0.000 0.857 653 A CB 1.037 20.110 19.000 0.121 0.000 1.175 653 A HN 0.454 nan 8.150 nan 0.000 0.512 654 V N 2.268 122.022 119.914 -0.267 0.000 2.370 654 V HA 0.556 4.676 4.120 0.000 0.000 0.283 654 V C 0.927 176.637 176.094 -0.640 0.000 1.023 654 V CA 0.323 62.250 62.300 -0.621 0.000 0.857 654 V CB 0.721 31.799 31.823 -1.241 0.000 0.985 654 V HN 2.049 nan 8.190 nan 0.000 0.443 655 A N 5.776 128.226 122.820 -0.616 0.000 2.415 655 A HA -0.104 4.216 4.320 0.000 0.000 0.292 655 A C -1.731 175.744 177.584 -0.181 0.000 1.452 655 A CA 0.400 52.008 52.037 -0.715 0.000 0.750 655 A CB -1.533 17.111 19.000 -0.592 0.000 1.099 655 A HN 0.620 nan 8.150 nan 0.000 0.391 656 P HA 0.416 nan 4.420 nan 0.000 0.277 656 P C 0.042 177.315 177.300 -0.044 0.000 1.240 656 P CA -0.208 62.881 63.100 -0.019 0.000 0.798 656 P CB 1.371 33.074 31.700 0.005 0.000 0.979 657 V N 2.442 122.235 119.914 -0.202 0.000 2.498 657 V HA 0.072 4.192 4.120 0.000 0.000 0.279 657 V C 1.682 177.552 176.094 -0.372 0.000 1.048 657 V CA 0.708 62.730 62.300 -0.462 0.000 0.967 657 V CB 0.815 32.002 31.823 -1.060 0.000 0.988 657 V HN 0.789 nan 8.190 nan 0.000 0.473 658 S N 4.485 120.012 115.700 -0.289 0.000 2.514 658 S HA 0.223 4.693 4.470 0.000 0.000 0.223 658 S C 0.527 174.922 174.600 -0.342 0.000 1.046 658 S CA -0.380 57.713 58.200 -0.178 0.000 0.914 658 S CB 0.244 63.408 63.200 -0.059 0.000 0.807 658 S HN 0.825 nan 8.310 nan 0.000 0.497 659 R N -1.157 118.976 120.500 -0.612 0.000 2.536 659 R HA 0.353 4.693 4.340 0.000 0.000 0.269 659 R C -1.008 174.876 176.300 -0.694 0.000 1.113 659 R CA -0.877 54.814 56.100 -0.682 0.000 0.948 659 R CB -0.131 29.755 30.300 -0.690 0.000 1.237 659 R HN 0.148 nan 8.270 nan 0.000 0.441 660 W N 1.752 122.933 121.300 -0.197 0.000 2.387 660 W HA -0.073 4.587 4.660 0.000 0.000 0.272 660 W C 1.187 177.839 176.519 0.223 0.000 1.224 660 W CA 0.938 58.267 57.345 -0.027 0.000 1.210 660 W CB 0.151 29.493 29.460 -0.197 0.000 1.125 660 W HN 0.739 nan 8.180 nan 0.000 0.572 661 E N -1.117 119.267 120.200 0.306 0.000 2.338 661 E HA -0.187 4.163 4.350 0.000 0.000 0.197 661 E C 1.446 178.245 176.600 0.331 0.000 1.007 661 E CA 0.945 57.513 56.400 0.279 0.000 0.849 661 E CB -0.319 29.455 29.700 0.124 0.000 0.774 661 E HN 0.347 nan 8.360 nan 0.000 0.506 662 Y N -1.290 119.099 120.300 0.147 0.000 2.475 662 Y HA 0.029 4.579 4.550 0.000 0.000 0.289 662 Y C 0.777 176.773 175.900 0.159 0.000 1.121 662 Y CA -0.253 57.897 58.100 0.083 0.000 1.257 662 Y CB -0.600 37.848 38.460 -0.020 0.000 1.026 662 Y HN 0.026 nan 8.280 nan 0.000 0.555 663 Y N 2.208 122.659 120.300 0.253 0.000 2.298 663 Y HA 0.236 4.786 4.550 0.000 0.000 0.329 663 Y C 0.465 176.588 175.900 0.371 0.000 1.293 663 Y CA -1.998 56.269 58.100 0.278 0.000 1.388 663 Y CB 0.247 38.925 38.460 0.363 0.000 1.309 663 Y HN 0.210 nan 8.280 nan 0.000 0.544 664 D N -0.411 119.744 120.400 -0.410 0.000 2.378 664 D HA 0.054 4.694 4.640 0.000 0.000 0.238 664 D C 0.943 177.217 176.300 -0.042 0.000 1.180 664 D CA 0.451 54.256 54.000 -0.325 0.000 0.895 664 D CB 0.759 41.152 40.800 -0.677 0.000 1.192 664 D HN 0.475 nan 8.370 nan 0.000 0.438 665 S N 1.182 116.868 115.700 -0.023 0.000 2.343 665 S HA -0.229 4.241 4.470 0.000 0.000 0.219 665 S C 2.019 176.640 174.600 0.035 0.000 1.033 665 S CA 1.211 59.448 58.200 0.061 0.000 1.014 665 S CB -1.119 62.123 63.200 0.070 0.000 0.915 665 S HN 0.445 nan 8.310 nan 0.000 0.435 666 V N 0.990 120.870 119.914 -0.057 0.000 2.278 666 V HA -0.231 3.889 4.120 0.000 0.000 0.251 666 V C 2.296 178.284 176.094 -0.176 0.000 1.062 666 V CA 2.424 64.592 62.300 -0.220 0.000 1.038 666 V CB -1.133 30.414 31.823 -0.459 0.000 0.646 666 V HN 0.586 nan 8.190 nan 0.000 0.447 667 Y N 1.203 121.410 120.300 -0.155 0.000 2.114 667 Y HA -0.213 4.337 4.550 0.000 0.000 0.284 667 Y C 2.785 178.643 175.900 -0.069 0.000 1.119 667 Y CA 2.330 60.401 58.100 -0.048 0.000 1.108 667 Y CB -0.695 37.928 38.460 0.271 0.000 0.995 667 Y HN 0.208 nan 8.280 nan 0.000 0.491 668 T N 0.467 115.218 114.554 0.329 0.000 2.607 668 T HA -0.270 4.081 4.350 0.000 0.000 0.267 668 T C 1.611 176.264 174.700 -0.079 0.000 1.049 668 T CA 2.122 64.334 62.100 0.186 0.000 1.162 668 T CB -0.476 68.670 68.868 0.464 0.000 0.863 668 T HN 0.423 nan 8.240 nan 0.000 0.424 669 E N 0.409 120.608 120.200 -0.001 0.000 2.160 669 E HA -0.176 4.175 4.350 0.000 0.000 0.195 669 E C 2.340 178.810 176.600 -0.216 0.000 0.991 669 E CA 0.861 57.248 56.400 -0.021 0.000 0.810 669 E CB -0.173 29.555 29.700 0.046 0.000 0.742 669 E HN 0.356 nan 8.360 nan 0.000 0.466 670 R N -0.052 120.160 120.500 -0.481 0.000 2.139 670 R HA -0.200 4.141 4.340 0.000 0.000 0.243 670 R C 1.218 176.951 176.300 -0.944 0.000 1.145 670 R CA 1.661 57.282 56.100 -0.798 0.000 0.976 670 R CB -0.042 29.480 30.300 -1.297 0.000 0.866 670 R HN 0.317 nan 8.270 nan 0.000 0.449 671 Y N -2.620 117.340 120.300 -0.566 0.000 2.498 671 Y HA 0.239 4.790 4.550 0.000 0.000 0.259 671 Y C 1.623 177.324 175.900 -0.332 0.000 1.086 671 Y CA -0.466 57.297 58.100 -0.560 0.000 1.287 671 Y CB 0.606 38.593 38.460 -0.789 0.000 1.146 671 Y HN -0.033 nan 8.280 nan 0.000 0.523 672 M N -0.197 119.286 119.600 -0.195 0.000 2.308 672 M HA 0.369 4.850 4.480 0.000 0.000 0.269 672 M C 1.017 177.365 176.300 0.080 0.000 1.040 672 M CA 0.724 55.933 55.300 -0.152 0.000 1.024 672 M CB -0.023 32.277 32.600 -0.500 0.000 1.465 672 M HN 0.333 nan 8.290 nan 0.000 0.517 673 G N 1.866 110.709 108.800 0.071 0.000 2.645 673 G HA2 -0.236 3.724 3.960 0.000 0.000 0.239 673 G HA3 -0.236 3.724 3.960 0.000 0.000 0.239 673 G C -0.553 174.466 174.900 0.198 0.000 1.331 673 G CA -0.769 44.398 45.100 0.111 0.000 0.890 673 G HN 0.349 nan 8.290 nan 0.000 0.572 674 L N 1.807 123.095 121.223 0.109 0.000 2.312 674 L HA 0.414 4.754 4.340 0.000 0.000 0.281 674 L C -1.311 175.489 176.870 -0.117 0.000 1.070 674 L CA -1.773 53.075 54.840 0.013 0.000 0.805 674 L CB 1.801 43.850 42.059 -0.016 0.000 1.174 674 L HN 0.454 nan 8.230 nan 0.000 0.434 675 P HA 0.019 nan 4.420 nan 0.000 0.249 675 P C -0.291 176.832 177.300 -0.296 0.000 1.686 675 P CA -0.032 62.596 63.100 -0.787 0.000 0.873 675 P CB -0.611 30.370 31.700 -1.199 0.000 1.828 676 T N -3.370 111.096 114.554 -0.147 0.000 2.912 676 T HA 0.423 4.773 4.350 0.000 0.000 0.288 676 T C -1.823 172.851 174.700 -0.042 0.000 1.030 676 T CA -2.447 59.605 62.100 -0.080 0.000 1.020 676 T CB 2.023 70.856 68.868 -0.058 0.000 1.056 676 T HN -0.194 nan 8.240 nan 0.000 0.480 677 P HA -0.082 nan 4.420 nan 0.000 0.223 677 P C 0.731 178.021 177.300 -0.017 0.000 1.144 677 P CA 1.016 64.106 63.100 -0.016 0.000 0.783 677 P CB 0.181 31.874 31.700 -0.012 0.000 0.771 678 E N -1.038 119.150 120.200 -0.020 0.000 2.481 678 E HA -0.042 4.309 4.350 0.000 0.000 0.195 678 E C 1.033 177.622 176.600 -0.018 0.000 1.047 678 E CA 0.237 56.626 56.400 -0.018 0.000 0.867 678 E CB 0.112 29.801 29.700 -0.019 0.000 0.858 678 E HN 0.300 nan 8.360 nan 0.000 0.513 679 D N 0.093 120.483 120.400 -0.016 0.000 3.029 679 D HA 0.000 4.640 4.640 0.000 0.000 0.181 679 D C 0.208 176.503 176.300 -0.008 0.000 1.356 679 D CA -0.067 53.928 54.000 -0.008 0.000 1.532 679 D CB -0.074 40.730 40.800 0.006 0.000 1.204 679 D HN -0.118 nan 8.370 nan 0.000 0.184 680 N N 0.269 118.993 118.700 0.040 0.000 2.338 680 N HA 0.116 4.856 4.740 0.000 0.000 0.251 680 N C 1.101 176.730 175.510 0.198 0.000 1.199 680 N CA -0.086 53.011 53.050 0.079 0.000 0.879 680 N CB 0.160 38.743 38.487 0.160 0.000 1.159 680 N HN 0.125 nan 8.380 nan 0.000 0.514 681 L N 0.395 121.672 121.223 0.091 0.000 2.043 681 L HA -0.152 4.188 4.340 0.000 0.000 0.212 681 L C 1.205 178.175 176.870 0.167 0.000 1.075 681 L CA 1.966 56.859 54.840 0.089 0.000 0.752 681 L CB -0.469 41.594 42.059 0.006 0.000 0.891 681 L HN 0.168 nan 8.230 nan 0.000 0.432 682 D N -1.167 119.302 120.400 0.114 0.000 2.104 682 D HA -0.217 4.423 4.640 0.000 0.000 0.194 682 D C 2.066 178.529 176.300 0.272 0.000 0.994 682 D CA 1.877 55.964 54.000 0.145 0.000 0.830 682 D CB -0.305 40.549 40.800 0.090 0.000 0.959 682 D HN 0.621 nan 8.370 nan 0.000 0.452 683 H N -1.547 117.605 119.070 0.137 0.000 2.462 683 H HA -0.069 4.487 4.556 0.000 0.000 0.292 683 H C 1.701 177.106 175.328 0.129 0.000 1.049 683 H CA 0.316 56.427 56.048 0.104 0.000 1.334 683 H CB 0.188 29.982 29.762 0.053 0.000 1.404 683 H HN 0.194 nan 8.280 nan 0.000 0.544 684 Y N 0.965 121.385 120.300 0.200 0.000 2.163 684 Y HA -0.138 4.412 4.550 0.000 0.000 0.288 684 Y C 2.458 178.434 175.900 0.127 0.000 1.136 684 Y CA 1.216 59.420 58.100 0.175 0.000 1.147 684 Y CB 0.059 38.595 38.460 0.126 0.000 0.987 684 Y HN 0.008 nan 8.280 nan 0.000 0.509 685 R N -0.275 120.385 120.500 0.266 0.000 2.235 685 R HA -0.091 4.250 4.340 0.000 0.000 0.213 685 R C 1.617 177.984 176.300 0.112 0.000 1.059 685 R CA 0.701 56.889 56.100 0.148 0.000 0.997 685 R CB -0.223 30.145 30.300 0.112 0.000 0.884 685 R HN 0.360 nan 8.270 nan 0.000 0.462 686 N N 0.685 119.466 118.700 0.134 0.000 2.424 686 N HA -0.052 4.688 4.740 0.000 0.000 0.178 686 N C 0.534 176.087 175.510 0.071 0.000 1.060 686 N CA 0.729 53.833 53.050 0.090 0.000 0.901 686 N CB 0.381 38.923 38.487 0.091 0.000 0.979 686 N HN 0.107 nan 8.380 nan 0.000 0.451 687 S N -0.598 115.169 115.700 0.111 0.000 2.552 687 S HA 0.196 4.666 4.470 0.000 0.000 0.246 687 S C 0.391 175.080 174.600 0.148 0.000 1.019 687 S CA -0.598 57.692 58.200 0.151 0.000 1.045 687 S CB 0.021 63.378 63.200 0.262 0.000 0.784 687 S HN -0.117 nan 8.310 nan 0.000 0.453 688 T N 1.591 116.181 114.554 0.060 0.000 2.907 688 T HA 0.280 4.630 4.350 0.000 0.000 0.298 688 T C 1.422 176.118 174.700 -0.005 0.000 1.017 688 T CA -0.354 61.744 62.100 -0.003 0.000 1.118 688 T CB 1.467 70.316 68.868 -0.032 0.000 0.948 688 T HN 0.110 nan 8.240 nan 0.000 0.531 689 V N 3.990 123.887 119.914 -0.029 0.000 2.407 689 V HA -0.129 3.991 4.120 0.000 0.000 0.245 689 V C 2.596 178.632 176.094 -0.097 0.000 1.041 689 V CA 1.197 63.462 62.300 -0.057 0.000 1.040 689 V CB -0.477 31.301 31.823 -0.075 0.000 0.671 689 V HN 0.844 nan 8.190 nan 0.000 0.455 690 M N 1.194 120.728 119.600 -0.110 0.000 2.358 690 M HA -0.095 4.385 4.480 0.000 0.000 0.264 690 M C 2.200 178.455 176.300 -0.075 0.000 1.064 690 M CA 2.131 57.357 55.300 -0.124 0.000 1.093 690 M CB -2.033 30.513 32.600 -0.090 0.000 1.401 690 M HN 0.541 nan 8.290 nan 0.000 0.440 691 S N 0.646 116.322 115.700 -0.041 0.000 2.555 691 S HA 0.005 4.476 4.470 0.000 0.000 0.230 691 S C 1.626 176.226 174.600 0.001 0.000 0.978 691 S CA 0.206 58.397 58.200 -0.014 0.000 0.934 691 S CB -0.377 62.822 63.200 -0.001 0.000 0.766 691 S HN 0.667 nan 8.310 nan 0.000 0.533 692 R N 0.142 120.649 120.500 0.011 0.000 2.509 692 R HA 0.473 4.813 4.340 0.000 0.000 0.300 692 R C 1.990 178.380 176.300 0.151 0.000 0.985 692 R CA 0.401 56.543 56.100 0.071 0.000 1.092 692 R CB -0.067 30.287 30.300 0.090 0.000 1.237 692 R HN 0.417 nan 8.270 nan 0.000 0.546 693 A N 1.825 124.654 122.820 0.016 0.000 1.903 693 A HA -0.264 4.056 4.320 0.000 0.000 0.219 693 A C 1.914 179.567 177.584 0.115 0.000 1.191 693 A CA 1.543 53.545 52.037 -0.058 0.000 0.638 693 A CB -0.196 18.736 19.000 -0.115 0.000 0.823 693 A HN 0.201 nan 8.150 nan 0.000 0.451 694 E N 0.384 120.637 120.200 0.090 0.000 2.048 694 E HA -0.212 4.138 4.350 0.000 0.000 0.202 694 E C 1.590 178.261 176.600 0.119 0.000 1.021 694 E CA 1.502 57.956 56.400 0.089 0.000 0.825 694 E CB -0.572 29.160 29.700 0.053 0.000 0.756 694 E HN 0.638 nan 8.360 nan 0.000 0.454 695 N N 0.244 119.005 118.700 0.101 0.000 2.659 695 N HA -0.151 4.589 4.740 0.000 0.000 0.194 695 N C 1.314 176.806 175.510 -0.031 0.000 1.140 695 N CA 0.493 53.556 53.050 0.020 0.000 0.936 695 N CB -0.383 38.073 38.487 -0.052 0.000 0.970 695 N HN 0.136 nan 8.380 nan 0.000 0.449 696 F N 1.219 121.129 119.950 -0.066 0.000 2.780 696 F HA 0.097 4.624 4.527 0.000 0.000 0.299 696 F C 1.824 177.631 175.800 0.012 0.000 1.146 696 F CA 0.386 58.343 58.000 -0.072 0.000 1.428 696 F CB 0.134 39.051 39.000 -0.139 0.000 1.115 696 F HN -0.036 nan 8.300 nan 0.000 0.583 697 K N 0.119 120.616 120.400 0.161 0.000 2.362 697 K HA -0.138 4.182 4.320 0.000 0.000 0.200 697 K C 0.835 177.491 176.600 0.092 0.000 1.046 697 K CA 0.913 57.278 56.287 0.129 0.000 0.952 697 K CB -0.281 32.277 32.500 0.096 0.000 0.753 697 K HN 0.433 nan 8.250 nan 0.000 0.466 698 Q N 0.820 120.651 119.800 0.052 0.000 2.211 698 Q HA 0.191 4.531 4.340 0.000 0.000 0.231 698 Q C -0.676 175.346 176.000 0.036 0.000 0.865 698 Q CA -0.175 55.648 55.803 0.035 0.000 0.997 698 Q CB 0.726 29.468 28.738 0.007 0.000 1.101 698 Q HN -0.085 nan 8.270 nan 0.000 0.468 699 V N 0.411 120.367 119.914 0.070 0.000 3.048 699 V HA 0.173 4.293 4.120 0.000 0.000 0.303 699 V C -1.008 175.215 176.094 0.214 0.000 1.214 699 V CA -0.955 61.404 62.300 0.099 0.000 0.984 699 V CB 2.784 34.592 31.823 -0.024 0.000 1.054 699 V HN 0.183 nan 8.190 nan 0.000 0.430 700 E N 2.543 122.896 120.200 0.254 0.000 2.130 700 E HA 0.371 4.721 4.350 0.000 0.000 0.284 700 E C -1.711 175.250 176.600 0.601 0.000 1.018 700 E CA -0.333 56.285 56.400 0.364 0.000 0.817 700 E CB 1.394 31.224 29.700 0.218 0.000 1.078 700 E HN 0.512 nan 8.360 nan 0.000 0.396 701 Y N 3.620 124.178 120.300 0.430 0.000 2.393 701 Y HA 0.439 4.989 4.550 0.000 0.000 0.341 701 Y C -1.480 174.519 175.900 0.166 0.000 0.988 701 Y CA -1.503 56.800 58.100 0.338 0.000 1.078 701 Y CB 1.010 39.709 38.460 0.399 0.000 1.203 701 Y HN 0.397 nan 8.280 nan 0.000 0.453 702 L N 7.796 128.708 121.223 -0.518 0.000 2.343 702 L HA 0.558 4.898 4.340 0.000 0.000 0.278 702 L C -2.212 174.193 176.870 -0.774 0.000 0.996 702 L CA -0.768 53.628 54.840 -0.740 0.000 0.831 702 L CB 1.236 42.503 42.059 -1.319 0.000 1.232 702 L HN 0.646 nan 8.230 nan 0.000 0.413 703 L N 6.622 127.479 121.223 -0.609 0.000 2.287 703 L HA 0.663 5.003 4.340 0.000 0.000 0.287 703 L C -0.992 175.747 176.870 -0.218 0.000 1.022 703 L CA 0.046 54.595 54.840 -0.484 0.000 0.814 703 L CB 1.013 42.811 42.059 -0.434 0.000 1.217 703 L HN 0.583 nan 8.230 nan 0.000 0.420 704 I N 4.530 124.979 120.570 -0.200 0.000 2.509 704 I HA 0.449 4.619 4.170 0.000 0.000 0.293 704 I C -1.044 175.042 176.117 -0.051 0.000 1.020 704 I CA -0.702 60.538 61.300 -0.101 0.000 1.088 704 I CB 1.937 39.841 38.000 -0.159 0.000 1.267 704 I HN 0.658 nan 8.210 nan 0.000 0.430 705 H N 2.270 121.384 119.070 0.075 0.000 3.046 705 H HA 0.528 5.084 4.556 0.000 0.000 0.363 705 H C -0.317 175.218 175.328 0.345 0.000 1.203 705 H CA -0.570 55.567 56.048 0.149 0.000 1.169 705 H CB 2.095 31.899 29.762 0.070 0.000 1.851 705 H HN 0.726 nan 8.280 nan 0.000 0.546 706 G N 1.422 110.544 108.800 0.537 0.000 2.370 706 G HA2 0.138 4.098 3.960 0.000 0.000 0.272 706 G HA3 0.138 4.098 3.960 0.000 0.000 0.272 706 G C 0.765 175.961 174.900 0.493 0.000 1.208 706 G CA -0.119 45.270 45.100 0.482 0.000 0.856 706 G HN 0.718 nan 8.290 nan 0.000 0.500 707 T N 1.861 116.599 114.554 0.307 0.000 2.833 707 T HA -0.051 4.300 4.350 0.000 0.000 0.269 707 T C 2.111 176.824 174.700 0.022 0.000 1.054 707 T CA 1.850 64.001 62.100 0.086 0.000 1.135 707 T CB -0.033 68.899 68.868 0.106 0.000 0.869 707 T HN 0.642 nan 8.240 nan 0.000 0.466 708 A N 0.781 123.611 122.820 0.017 0.000 2.610 708 A HA 0.251 4.572 4.320 0.000 0.000 0.286 708 A C 0.255 177.571 177.584 -0.447 0.000 1.306 708 A CA -0.417 51.381 52.037 -0.399 0.000 0.942 708 A CB 0.034 19.059 19.000 0.042 0.000 1.112 708 A HN 0.217 nan 8.150 nan 0.000 0.527 709 D N 1.704 122.063 120.400 -0.068 0.000 2.349 709 D HA -0.029 4.611 4.640 0.000 0.000 0.266 709 D C 0.282 176.600 176.300 0.030 0.000 1.293 709 D CA 0.313 54.399 54.000 0.142 0.000 0.926 709 D CB 0.638 41.711 40.800 0.455 0.000 1.090 709 D HN 0.590 nan 8.370 nan 0.000 0.502 710 D N 2.265 122.686 120.400 0.036 0.000 2.349 710 D HA -0.122 4.518 4.640 0.000 0.000 0.215 710 D C 0.946 177.292 176.300 0.077 0.000 1.016 710 D CA -0.185 53.819 54.000 0.008 0.000 0.870 710 D CB 0.427 41.170 40.800 -0.096 0.000 0.917 710 D HN 0.213 nan 8.370 nan 0.000 0.524 711 N N 0.970 119.792 118.700 0.205 0.000 2.335 711 N HA -0.053 4.687 4.740 0.000 0.000 0.197 711 N C -0.019 175.492 175.510 0.001 0.000 1.045 711 N CA 0.577 53.766 53.050 0.230 0.000 0.928 711 N CB 0.366 38.890 38.487 0.062 0.000 1.118 711 N HN -0.099 nan 8.380 nan 0.000 0.471 712 V N 2.971 122.886 119.914 0.000 0.000 2.304 712 V HA 0.222 4.342 4.120 0.000 0.000 0.269 712 V C -0.530 175.673 176.094 0.181 0.000 1.036 712 V CA -0.480 61.863 62.300 0.072 0.000 0.840 712 V CB -0.146 31.770 31.823 0.155 0.000 1.036 712 V HN 0.294 nan 8.190 nan 0.000 0.466 713 H N 3.405 122.478 119.070 0.005 0.000 2.897 713 H HA 0.013 4.569 4.556 0.000 0.000 0.347 713 H C 0.817 176.041 175.328 -0.174 0.000 1.068 713 H CA -0.217 55.773 56.048 -0.096 0.000 1.426 713 H CB 0.836 30.435 29.762 -0.271 0.000 1.410 713 H HN 0.625 nan 8.280 nan 0.000 0.597 714 F N 2.016 121.802 119.950 -0.275 0.000 2.184 714 F HA -0.327 4.200 4.527 0.000 0.000 0.301 714 F C 2.597 178.136 175.800 -0.436 0.000 1.076 714 F CA 1.872 59.485 58.000 -0.645 0.000 1.295 714 F CB -0.194 38.606 39.000 -0.333 0.000 1.026 714 F HN 0.667 nan 8.300 nan 0.000 0.494 715 Q N 0.151 119.827 119.800 -0.207 0.000 2.156 715 Q HA -0.319 4.021 4.340 0.000 0.000 0.211 715 Q C 2.106 177.884 176.000 -0.371 0.000 0.995 715 Q CA 2.331 57.957 55.803 -0.295 0.000 0.877 715 Q CB -0.373 28.146 28.738 -0.366 0.000 0.920 715 Q HN 0.583 nan 8.270 nan 0.000 0.416 716 Q N -0.226 119.405 119.800 -0.282 0.000 2.077 716 Q HA -0.146 4.194 4.340 0.000 0.000 0.206 716 Q C 2.276 178.185 176.000 -0.151 0.000 0.989 716 Q CA 1.869 57.632 55.803 -0.066 0.000 0.853 716 Q CB -0.186 28.575 28.738 0.038 0.000 0.907 716 Q HN 0.356 nan 8.270 nan 0.000 0.418 717 S N 0.739 116.232 115.700 -0.346 0.000 2.395 717 S HA -0.007 4.463 4.470 0.000 0.000 0.225 717 S C 2.080 176.431 174.600 -0.416 0.000 1.027 717 S CA 0.729 58.718 58.200 -0.351 0.000 0.965 717 S CB -0.141 62.822 63.200 -0.395 0.000 0.812 717 S HN 0.483 nan 8.310 nan 0.000 0.482 718 A N 1.100 123.574 122.820 -0.576 0.000 1.940 718 A HA -0.184 4.136 4.320 0.000 0.000 0.219 718 A C 2.101 179.583 177.584 -0.170 0.000 1.176 718 A CA 1.670 53.508 52.037 -0.332 0.000 0.631 718 A CB -0.588 18.285 19.000 -0.212 0.000 0.814 718 A HN 0.381 nan 8.150 nan 0.000 0.446 719 Q N -0.245 119.462 119.800 -0.155 0.000 2.123 719 Q HA 0.043 4.383 4.340 0.000 0.000 0.199 719 Q C 1.815 177.762 176.000 -0.088 0.000 0.966 719 Q CA 1.271 57.039 55.803 -0.058 0.000 0.845 719 Q CB -0.345 28.441 28.738 0.081 0.000 0.907 719 Q HN 0.730 nan 8.270 nan 0.000 0.439 720 I N -0.162 120.323 120.570 -0.142 0.000 2.163 720 I HA -0.300 3.871 4.170 0.000 0.000 0.240 720 I C 2.223 178.167 176.117 -0.289 0.000 1.081 720 I CA 1.393 62.561 61.300 -0.221 0.000 1.353 720 I CB -0.551 37.316 38.000 -0.221 0.000 1.054 720 I HN 0.255 nan 8.210 nan 0.000 0.407 721 S N 0.818 116.361 115.700 -0.261 0.000 2.374 721 S HA -0.301 4.170 4.470 0.000 0.000 0.227 721 S C 2.034 176.605 174.600 -0.049 0.000 1.037 721 S CA 1.500 59.576 58.200 -0.206 0.000 1.024 721 S CB -0.535 62.692 63.200 0.045 0.000 0.861 721 S HN 0.365 nan 8.310 nan 0.000 0.456 722 K N 1.588 121.963 120.400 -0.041 0.000 2.026 722 K HA -0.032 4.288 4.320 0.000 0.000 0.208 722 K C 2.438 179.022 176.600 -0.026 0.000 1.048 722 K CA 1.180 57.464 56.287 -0.006 0.000 0.929 722 K CB -0.649 31.844 32.500 -0.013 0.000 0.713 722 K HN 0.466 nan 8.250 nan 0.000 0.439 723 A N 1.276 124.048 122.820 -0.080 0.000 1.908 723 A HA -0.161 4.160 4.320 0.000 0.000 0.218 723 A C 2.102 179.626 177.584 -0.101 0.000 1.181 723 A CA 1.400 53.380 52.037 -0.094 0.000 0.627 723 A CB -0.634 18.282 19.000 -0.139 0.000 0.818 723 A HN 0.300 nan 8.150 nan 0.000 0.445 724 L N -0.678 120.444 121.223 -0.168 0.000 2.093 724 L HA -0.132 4.208 4.340 0.000 0.000 0.208 724 L C 2.493 179.413 176.870 0.083 0.000 1.085 724 L CA 0.907 55.680 54.840 -0.112 0.000 0.755 724 L CB -0.575 41.302 42.059 -0.303 0.000 0.904 724 L HN 0.240 nan 8.230 nan 0.000 0.435 725 V N -0.162 119.836 119.914 0.139 0.000 2.407 725 V HA -0.269 3.851 4.120 0.000 0.000 0.248 725 V C 1.935 178.078 176.094 0.081 0.000 1.055 725 V CA 1.776 64.169 62.300 0.154 0.000 1.049 725 V CB -0.488 31.423 31.823 0.147 0.000 0.662 725 V HN 0.434 nan 8.190 nan 0.000 0.455 726 D N 0.301 120.729 120.400 0.047 0.000 2.269 726 D HA -0.008 4.632 4.640 0.000 0.000 0.208 726 D C 1.970 178.289 176.300 0.031 0.000 0.963 726 D CA 1.317 55.335 54.000 0.031 0.000 0.864 726 D CB -0.017 40.792 40.800 0.015 0.000 0.936 726 D HN 0.480 nan 8.370 nan 0.000 0.505 727 A N -0.141 122.699 122.820 0.034 0.000 2.238 727 A HA 0.418 4.738 4.320 0.000 0.000 0.210 727 A C 1.622 179.241 177.584 0.059 0.000 1.179 727 A CA 0.806 52.866 52.037 0.038 0.000 0.827 727 A CB -0.104 18.912 19.000 0.027 0.000 0.856 727 A HN 0.184 nan 8.150 nan 0.000 0.488 728 G N -0.690 108.153 108.800 0.073 0.000 2.256 728 G HA2 -0.139 3.821 3.960 0.000 0.000 0.272 728 G HA3 -0.139 3.821 3.960 0.000 0.000 0.272 728 G C -0.124 174.840 174.900 0.107 0.000 1.076 728 G CA 0.214 45.362 45.100 0.080 0.000 0.882 728 G HN 0.860 nan 8.290 nan 0.000 0.497 729 V N 0.415 120.421 119.914 0.153 0.000 2.370 729 V HA 0.468 4.588 4.120 0.000 0.000 0.283 729 V C 0.373 176.647 176.094 0.299 0.000 1.023 729 V CA -0.764 61.661 62.300 0.207 0.000 0.857 729 V CB 1.732 33.684 31.823 0.216 0.000 0.985 729 V HN 0.424 nan 8.190 nan 0.000 0.443 730 D N 3.894 124.427 120.400 0.222 0.000 2.339 730 D HA 0.607 5.247 4.640 0.000 0.000 0.245 730 D C -0.520 175.970 176.300 0.318 0.000 1.115 730 D CA 0.328 54.420 54.000 0.153 0.000 0.917 730 D CB 0.821 41.663 40.800 0.070 0.000 1.192 730 D HN 0.398 nan 8.370 nan 0.000 0.428 731 F N -1.159 118.880 119.950 0.149 0.000 2.858 731 F HA 0.423 4.950 4.527 0.000 0.000 0.319 731 F C -1.624 174.245 175.800 0.114 0.000 1.166 731 F CA -1.092 57.024 58.000 0.193 0.000 0.899 731 F CB 0.796 39.959 39.000 0.272 0.000 1.332 731 F HN 0.193 nan 8.300 nan 0.000 0.461 732 Q N 1.259 121.194 119.800 0.225 0.000 2.309 732 Q HA 0.837 5.178 4.340 0.000 0.000 0.264 732 Q C -1.027 175.045 176.000 0.120 0.000 1.008 732 Q CA -1.178 54.658 55.803 0.055 0.000 0.853 732 Q CB 2.399 31.197 28.738 0.100 0.000 1.314 732 Q HN 0.962 nan 8.270 nan 0.000 0.448 733 A N 2.018 124.870 122.820 0.053 0.000 2.435 733 A HA 0.924 5.245 4.320 0.000 0.000 0.296 733 A C -1.356 176.200 177.584 -0.047 0.000 1.147 733 A CA -0.606 51.480 52.037 0.083 0.000 0.775 733 A CB 1.883 21.029 19.000 0.243 0.000 1.340 733 A HN 0.640 nan 8.150 nan 0.000 0.427 734 M N 0.852 120.405 119.600 -0.078 0.000 2.296 734 M HA 0.529 5.010 4.480 0.000 0.000 0.268 734 M C -2.182 174.018 176.300 -0.167 0.000 1.048 734 M CA -0.493 54.616 55.300 -0.318 0.000 0.966 734 M CB 1.169 33.492 32.600 -0.461 0.000 1.912 734 M HN 0.958 nan 8.290 nan 0.000 0.484 735 W N 4.491 125.644 121.300 -0.246 0.000 2.627 735 W HA 0.790 5.451 4.660 0.000 0.000 0.339 735 W C -2.108 174.177 176.519 -0.391 0.000 1.058 735 W CA -0.996 56.291 57.345 -0.097 0.000 1.223 735 W CB 0.479 29.938 29.460 -0.002 0.000 1.389 735 W HN 0.626 nan 8.180 nan 0.000 0.541 736 Y N 2.628 123.077 120.300 0.248 0.000 2.464 736 Y HA 0.291 4.841 4.550 0.000 0.000 0.326 736 Y C 0.578 176.608 175.900 0.217 0.000 0.969 736 Y CA -0.969 57.190 58.100 0.099 0.000 1.270 736 Y CB 1.396 39.873 38.460 0.028 0.000 1.103 736 Y HN 0.430 nan 8.280 nan 0.000 0.491 737 T N 4.536 119.279 114.554 0.315 0.000 2.800 737 T HA -0.071 4.279 4.350 0.000 0.000 0.283 737 T C 0.136 174.944 174.700 0.179 0.000 0.999 737 T CA 0.714 62.945 62.100 0.219 0.000 1.176 737 T CB -0.227 68.700 68.868 0.098 0.000 0.973 737 T HN 0.686 nan 8.240 nan 0.000 0.519 738 D N 1.186 121.694 120.400 0.181 0.000 2.983 738 D HA -0.123 4.517 4.640 0.000 0.000 0.225 738 D C 0.194 176.664 176.300 0.282 0.000 1.174 738 D CA 1.051 55.148 54.000 0.163 0.000 0.831 738 D CB -0.403 40.296 40.800 -0.168 0.000 1.104 738 D HN 0.531 nan 8.370 nan 0.000 0.421 739 E N 0.507 120.867 120.200 0.266 0.000 2.242 739 E HA 0.246 4.596 4.350 0.000 0.000 0.275 739 E C 0.543 177.293 176.600 0.251 0.000 1.002 739 E CA -0.464 56.089 56.400 0.255 0.000 0.841 739 E CB 1.313 31.159 29.700 0.243 0.000 1.109 739 E HN 0.077 nan 8.360 nan 0.000 0.394 740 D N 0.043 120.591 120.400 0.247 0.000 2.356 740 D HA -0.079 4.562 4.640 0.000 0.000 0.258 740 D C 0.941 177.422 176.300 0.302 0.000 1.279 740 D CA 0.069 54.227 54.000 0.265 0.000 1.016 740 D CB 0.503 41.461 40.800 0.262 0.000 1.107 740 D HN 0.483 nan 8.370 nan 0.000 0.544 741 H N -1.407 117.808 119.070 0.243 0.000 2.546 741 H HA 0.146 4.702 4.556 0.000 0.000 0.277 741 H C 1.478 177.023 175.328 0.362 0.000 1.004 741 H CA 1.715 57.932 56.048 0.281 0.000 1.231 741 H CB -0.019 29.907 29.762 0.273 0.000 1.382 741 H HN 0.315 nan 8.280 nan 0.000 0.580 742 G N -0.440 108.486 108.800 0.211 0.000 3.020 742 G HA2 0.095 4.055 3.960 0.000 0.000 0.217 742 G HA3 0.095 4.055 3.960 0.000 0.000 0.217 742 G C 0.568 175.613 174.900 0.242 0.000 1.144 742 G CA 0.157 45.314 45.100 0.096 0.000 0.760 742 G HN 0.471 nan 8.290 nan 0.000 0.548 743 I N 0.177 120.898 120.570 0.250 0.000 5.158 743 I HA -0.333 3.837 4.170 0.000 0.000 0.126 743 I C 1.573 177.782 176.117 0.153 0.000 1.344 743 I CA 0.203 61.605 61.300 0.170 0.000 2.637 743 I CB -1.147 36.915 38.000 0.103 0.000 2.338 743 I HN 0.257 nan 8.210 nan 0.000 0.320 744 A N 0.933 123.818 122.820 0.109 0.000 2.387 744 A HA 0.305 4.625 4.320 0.000 0.000 0.234 744 A C 1.175 178.785 177.584 0.043 0.000 1.253 744 A CA 0.522 52.583 52.037 0.040 0.000 0.894 744 A CB 0.058 19.034 19.000 -0.040 0.000 0.963 744 A HN 0.630 nan 8.150 nan 0.000 0.508 745 S N -0.635 115.116 115.700 0.084 0.000 2.579 745 S HA 0.188 4.658 4.470 0.000 0.000 0.275 745 S C 1.212 175.867 174.600 0.092 0.000 1.345 745 S CA 0.338 58.587 58.200 0.082 0.000 1.031 745 S CB 1.128 64.389 63.200 0.102 0.000 0.892 745 S HN 0.405 nan 8.310 nan 0.000 0.529 746 S N 2.254 117.997 115.700 0.072 0.000 2.377 746 S HA -0.207 4.263 4.470 0.000 0.000 0.224 746 S C 2.147 176.808 174.600 0.102 0.000 1.042 746 S CA 2.503 60.753 58.200 0.083 0.000 1.086 746 S CB -1.636 61.593 63.200 0.048 0.000 0.995 746 S HN 1.049 nan 8.310 nan 0.000 0.428 747 T N 0.391 114.995 114.554 0.082 0.000 2.746 747 T HA 0.054 4.404 4.350 0.000 0.000 0.267 747 T C 1.952 176.712 174.700 0.101 0.000 1.039 747 T CA 1.484 63.635 62.100 0.085 0.000 1.142 747 T CB -0.945 67.970 68.868 0.078 0.000 0.866 747 T HN 0.492 nan 8.240 nan 0.000 0.444 748 A N 1.597 124.464 122.820 0.078 0.000 1.898 748 A HA -0.097 4.223 4.320 0.000 0.000 0.216 748 A C 2.216 179.767 177.584 -0.055 0.000 1.181 748 A CA 1.982 54.012 52.037 -0.013 0.000 0.620 748 A CB -1.204 17.765 19.000 -0.051 0.000 0.819 748 A HN 0.717 nan 8.150 nan 0.000 0.442 749 H N 0.090 119.141 119.070 -0.032 0.000 2.352 749 H HA -0.149 4.407 4.556 0.000 0.000 0.299 749 H C 2.083 177.464 175.328 0.089 0.000 1.097 749 H CA 2.374 58.444 56.048 0.037 0.000 1.311 749 H CB -0.226 29.565 29.762 0.049 0.000 1.377 749 H HN 0.601 nan 8.280 nan 0.000 0.504 750 Q N -0.999 118.736 119.800 -0.108 0.000 2.046 750 Q HA -0.176 4.164 4.340 0.000 0.000 0.200 750 Q C 2.244 178.197 176.000 -0.077 0.000 0.975 750 Q CA 1.229 56.941 55.803 -0.153 0.000 0.836 750 Q CB -0.283 28.419 28.738 -0.060 0.000 0.896 750 Q HN 0.626 nan 8.270 nan 0.000 0.428 751 H N 1.115 120.142 119.070 -0.072 0.000 2.319 751 H HA -0.113 4.443 4.556 0.000 0.000 0.299 751 H C 2.025 177.334 175.328 -0.031 0.000 1.092 751 H CA 1.514 57.558 56.048 -0.005 0.000 1.302 751 H CB -0.122 29.701 29.762 0.103 0.000 1.373 751 H HN 0.279 nan 8.280 nan 0.000 0.497 752 I N -0.043 120.506 120.570 -0.035 0.000 2.252 752 I HA -0.316 3.855 4.170 0.000 0.000 0.245 752 I C 1.849 177.744 176.117 -0.369 0.000 1.102 752 I CA 1.229 62.410 61.300 -0.197 0.000 1.385 752 I CB -0.287 37.384 38.000 -0.548 0.000 1.064 752 I HN 0.156 nan 8.210 nan 0.000 0.414 753 Y N 0.514 120.607 120.300 -0.345 0.000 2.293 753 Y HA -0.196 4.354 4.550 0.000 0.000 0.291 753 Y C 2.833 178.500 175.900 -0.388 0.000 1.137 753 Y CA 1.602 59.375 58.100 -0.544 0.000 1.202 753 Y CB -0.194 37.924 38.460 -0.570 0.000 0.990 753 Y HN 0.165 nan 8.280 nan 0.000 0.537 754 S N -1.224 114.362 115.700 -0.190 0.000 2.368 754 S HA -0.251 4.219 4.470 0.000 0.000 0.224 754 S C 1.679 175.999 174.600 -0.467 0.000 1.029 754 S CA 1.522 59.521 58.200 -0.335 0.000 0.988 754 S CB -0.481 62.532 63.200 -0.310 0.000 0.838 754 S HN 0.540 nan 8.310 nan 0.000 0.462 755 H N 1.371 120.243 119.070 -0.330 0.000 2.353 755 H HA 0.078 4.634 4.556 0.000 0.000 0.300 755 H C 2.029 177.312 175.328 -0.074 0.000 1.090 755 H CA 1.779 57.729 56.048 -0.162 0.000 1.327 755 H CB -0.187 29.537 29.762 -0.064 0.000 1.383 755 H HN 0.300 nan 8.280 nan 0.000 0.508 756 M N -0.927 118.614 119.600 -0.097 0.000 2.175 756 M HA -0.148 4.333 4.480 0.000 0.000 0.264 756 M C 2.456 178.874 176.300 0.196 0.000 1.063 756 M CA 1.391 56.662 55.300 -0.049 0.000 1.119 756 M CB 0.036 32.401 32.600 -0.392 0.000 1.377 756 M HN 0.178 nan 8.290 nan 0.000 0.415 757 S N -0.317 115.510 115.700 0.212 0.000 2.359 757 S HA -0.196 4.274 4.470 0.000 0.000 0.224 757 S C 1.612 176.335 174.600 0.205 0.000 1.035 757 S CA 1.471 59.889 58.200 0.363 0.000 1.018 757 S CB -0.744 62.629 63.200 0.288 0.000 0.876 757 S HN 0.577 nan 8.310 nan 0.000 0.448 758 H N -0.908 118.222 119.070 0.099 0.000 2.387 758 H HA -0.060 4.496 4.556 0.000 0.000 0.299 758 H C 1.961 177.283 175.328 -0.010 0.000 1.090 758 H CA 1.334 57.389 56.048 0.012 0.000 1.332 758 H CB -0.174 29.545 29.762 -0.071 0.000 1.386 758 H HN 0.377 nan 8.280 nan 0.000 0.516 759 F N 1.234 121.160 119.950 -0.039 0.000 2.134 759 F HA -0.155 4.372 4.527 0.000 0.000 0.299 759 F C 1.955 177.712 175.800 -0.072 0.000 1.097 759 F CA 1.089 59.042 58.000 -0.079 0.000 1.264 759 F CB -0.285 38.655 39.000 -0.100 0.000 1.001 759 F HN 0.021 nan 8.300 nan 0.000 0.479 760 L N -0.329 120.871 121.223 -0.038 0.000 2.109 760 L HA -0.199 4.141 4.340 0.000 0.000 0.207 760 L C 2.451 179.185 176.870 -0.226 0.000 1.086 760 L CA 1.260 55.936 54.840 -0.274 0.000 0.760 760 L CB -0.695 41.296 42.059 -0.114 0.000 0.910 760 L HN 0.199 nan 8.230 nan 0.000 0.437 761 Q N -0.542 119.244 119.800 -0.024 0.000 2.084 761 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 761 Q C 2.239 178.224 176.000 -0.025 0.000 0.978 761 Q CA 1.492 57.320 55.803 0.042 0.000 0.844 761 Q CB -0.074 28.732 28.738 0.113 0.000 0.898 761 Q HN 0.543 nan 8.270 nan 0.000 0.426 762 Q N -0.149 119.588 119.800 -0.105 0.000 1.993 762 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 762 Q C 2.477 178.366 176.000 -0.184 0.000 0.984 762 Q CA 1.460 57.181 55.803 -0.137 0.000 0.837 762 Q CB -0.509 28.122 28.738 -0.178 0.000 0.902 762 Q HN 0.464 nan 8.270 nan 0.000 0.423 763 c N 0.241 118.607 118.600 -0.390 0.000 2.401 763 c HA -0.157 4.413 4.570 0.000 0.000 0.276 763 c C 2.120 176.183 174.090 -0.045 0.000 1.233 763 c CA 0.729 56.841 56.329 -0.361 0.000 1.753 763 c CB -1.071 41.033 42.510 -0.677 0.000 2.029 763 c HN 0.495 nan 8.230 nan 0.000 0.478 764 F N 0.785 120.683 119.950 -0.088 0.000 2.732 764 F HA 0.123 4.650 4.527 0.000 0.000 0.303 764 F C 1.520 177.299 175.800 -0.036 0.000 1.110 764 F CA 0.170 58.144 58.000 -0.043 0.000 1.355 764 F CB -0.073 38.912 39.000 -0.025 0.000 1.081 764 F HN 0.222 nan 8.300 nan 0.000 0.565 765 S N 0.509 116.285 115.700 0.126 0.000 3.587 765 S HA -0.211 4.259 4.470 0.000 0.000 0.337 765 S C 1.004 175.638 174.600 0.057 0.000 1.119 765 S CA 0.426 58.663 58.200 0.062 0.000 0.976 765 S CB -2.014 61.215 63.200 0.047 0.000 0.922 765 S HN 0.424 nan 8.310 nan 0.000 0.503 766 L N -0.430 120.839 121.223 0.078 0.000 2.121 766 L HA 0.191 4.531 4.340 0.000 0.000 0.200 766 L C 1.844 178.742 176.870 0.047 0.000 1.132 766 L CA 0.504 55.384 54.840 0.066 0.000 0.782 766 L CB -0.258 41.858 42.059 0.095 0.000 0.940 766 L HN 0.219 nan 8.230 nan 0.000 0.458 767 R N 0.000 120.531 120.500 0.051 0.000 2.786 767 R HA 0.000 4.340 4.340 0.000 0.000 0.208 767 R CA 0.000 56.119 56.100 0.031 0.000 0.921 767 R CB 0.000 30.324 30.300 0.040 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535