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 2jbk_1_A DATA FIRST_RESID 57 DATA SEQUENCE NMKAFLDELK AENIKKFLYN FTQIPHLAGT EQNFQLAKQI QSQWKEFGLD DATA SEQUENCE SVELAHYDVL LSYPNKTHPN YISIINEDGN EIFNTSLFEP PPPGYENVSD DATA SEQUENCE IVPPFSAFSP QGMPEGDLVY VNYARTEDFF KLERDMKINC SGKIVIARYG DATA SEQUENCE KVFRGNKVKN AQLAGAKGVI LYSDPADYFA PGVKSYPDGW NLPGGGVQRG DATA SEQUENCE NILNLNGAGD PLTPGYPANE YAYRRGIAEA VGLPSIPVHP IGYYDAQKLL DATA SEQUENCE EKMGGSAPPD SSWRGSLKVP YNVGPGFTXX FSTQKVKMHI HSTNEVTRIY DATA SEQUENCE NVIGTLRGAV EPDRYVILGG HRDSWVFGGI DPQSGAAVVH EIVRSFGTLK DATA SEQUENCE KEGWRPRRTI LFASWDAEEF GLLGSTEWAE ENSRLLQERG VAYINADSSI DATA SEQUENCE EGNYTLRVDC TPLMYSLVHN LTKELKSPDE GFEGKSLYES WTKKSPSPEF DATA SEQUENCE SGMPRISKLG SGNDFEVFFQ RLGIASGRAR YTKNXXXXXF SGYPLYHSVY DATA SEQUENCE ETYELVEKFY DPMFKYHLTV AQVRGGMVFE LANSIVLPFD CRDYAVVLRK DATA SEQUENCE YADKIYSISM KHPQEMKTYS VSFDSLFSAV KNFTEIASKF SERLQDFDKS DATA SEQUENCE NPIVLRMMND QLMFLERAFI DPLGLPDRPF YRHVIYAPSS HNKYAGESFP DATA SEQUENCE GIYDALFDIE SKVDPSKAWG EVKRQIYVAA FTVQAAAETL SEVA 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 57 N HA 0.000 nan 4.740 nan 0.000 0.220 57 N C 0.000 175.371 175.510 -0.231 0.000 1.280 57 N CA 0.000 53.083 53.050 0.055 0.000 0.885 57 N CB 0.000 38.508 38.487 0.035 0.000 1.341 58 M N 2.285 121.693 119.600 -0.320 0.000 2.065 58 M HA -0.067 4.414 4.480 0.002 0.000 0.259 58 M C 2.263 178.301 176.300 -0.437 0.000 1.069 58 M CA 2.981 57.790 55.300 -0.818 0.000 1.110 58 M CB -0.650 31.694 32.600 -0.426 0.000 1.328 58 M HN 0.755 nan 8.290 nan 0.000 0.405 59 K N 0.368 120.627 120.400 -0.235 0.000 2.052 59 K HA -0.172 4.149 4.320 0.002 0.000 0.215 59 K C 2.197 178.666 176.600 -0.218 0.000 1.053 59 K CA 2.684 58.865 56.287 -0.177 0.000 0.934 59 K CB -2.133 30.300 32.500 -0.112 0.000 0.717 59 K HN 0.777 nan 8.250 nan 0.000 0.450 60 A N 0.207 122.894 122.820 -0.222 0.000 1.873 60 A HA -0.031 4.289 4.320 0.002 0.000 0.218 60 A C 2.223 179.626 177.584 -0.302 0.000 1.193 60 A CA 2.186 54.083 52.037 -0.235 0.000 0.629 60 A CB -0.720 18.148 19.000 -0.221 0.000 0.826 60 A HN 0.875 nan 8.150 nan 0.000 0.447 61 F N 0.889 120.513 119.950 -0.543 0.000 2.043 61 F HA -0.229 4.299 4.527 0.001 0.000 0.297 61 F C 1.967 177.493 175.800 -0.456 0.000 1.121 61 F CA 2.043 59.675 58.000 -0.614 0.000 1.199 61 F CB -0.608 37.846 39.000 -0.910 0.000 0.968 61 F HN 0.175 nan 8.300 nan 0.000 0.478 62 L N 0.166 121.029 121.223 -0.601 0.000 1.990 62 L HA -0.295 4.046 4.340 0.002 0.000 0.213 62 L C 2.332 178.941 176.870 -0.434 0.000 1.072 62 L CA 1.880 56.398 54.840 -0.538 0.000 0.755 62 L CB -1.206 40.692 42.059 -0.268 0.000 0.889 62 L HN 0.162 nan 8.230 nan 0.000 0.432 63 D N -0.182 120.025 120.400 -0.321 0.000 2.158 63 D HA -0.229 4.411 4.640 0.002 0.000 0.197 63 D C 2.059 178.194 176.300 -0.274 0.000 0.995 63 D CA 1.316 55.168 54.000 -0.247 0.000 0.846 63 D CB -0.136 40.552 40.800 -0.187 0.000 0.941 63 D HN 0.305 nan 8.370 nan 0.000 0.456 64 E N 0.246 120.239 120.200 -0.345 0.000 2.338 64 E HA -0.053 4.298 4.350 0.002 0.000 0.197 64 E C 0.281 176.674 176.600 -0.344 0.000 1.007 64 E CA 0.135 56.338 56.400 -0.327 0.000 0.849 64 E CB -0.157 29.341 29.700 -0.336 0.000 0.774 64 E HN 0.241 nan 8.360 nan 0.000 0.506 65 L N 2.177 123.149 121.223 -0.420 0.000 2.361 65 L HA 0.178 4.519 4.340 0.002 0.000 0.278 65 L C -0.055 176.686 176.870 -0.215 0.000 1.113 65 L CA -0.142 54.497 54.840 -0.335 0.000 0.849 65 L CB 0.549 42.379 42.059 -0.382 0.000 1.155 65 L HN -0.133 nan 8.230 nan 0.000 0.452 66 K N 3.095 123.396 120.400 -0.166 0.000 2.358 66 K HA 0.401 4.722 4.320 0.002 0.000 0.260 66 K C 0.644 177.174 176.600 -0.117 0.000 0.956 66 K CA -0.445 55.756 56.287 -0.143 0.000 0.834 66 K CB 1.778 34.181 32.500 -0.160 0.000 1.102 66 K HN 0.594 nan 8.250 nan 0.000 0.431 67 A N 2.066 124.834 122.820 -0.087 0.000 1.915 67 A HA -0.314 4.007 4.320 0.002 0.000 0.220 67 A C 2.209 179.673 177.584 -0.200 0.000 1.198 67 A CA 2.763 54.767 52.037 -0.054 0.000 0.647 67 A CB -0.493 18.515 19.000 0.012 0.000 0.825 67 A HN 0.765 nan 8.150 nan 0.000 0.456 68 E N 0.515 120.575 120.200 -0.233 0.000 2.108 68 E HA -0.307 4.044 4.350 0.002 0.000 0.203 68 E C 1.906 178.256 176.600 -0.416 0.000 1.022 68 E CA 1.990 58.194 56.400 -0.326 0.000 0.823 68 E CB -0.971 28.580 29.700 -0.248 0.000 0.744 68 E HN 0.759 nan 8.360 nan 0.000 0.456 69 N N 0.364 118.838 118.700 -0.377 0.000 2.084 69 N HA -0.035 4.706 4.740 0.002 0.000 0.190 69 N C 2.140 177.251 175.510 -0.665 0.000 1.030 69 N CA 1.785 54.487 53.050 -0.580 0.000 0.849 69 N CB -0.537 37.736 38.487 -0.356 0.000 1.012 69 N HN 0.490 nan 8.380 nan 0.000 0.423 70 I N 1.612 122.048 120.570 -0.224 0.000 2.118 70 I HA -0.329 3.842 4.170 0.002 0.000 0.241 70 I C 2.551 178.551 176.117 -0.195 0.000 1.070 70 I CA 1.368 62.671 61.300 0.005 0.000 1.327 70 I CB -0.323 37.786 38.000 0.180 0.000 1.034 70 I HN 0.156 nan 8.210 nan 0.000 0.405 71 K N 1.129 121.163 120.400 -0.610 0.000 2.001 71 K HA -0.291 4.030 4.320 0.002 0.000 0.214 71 K C 2.483 178.885 176.600 -0.330 0.000 1.050 71 K CA 2.372 58.161 56.287 -0.830 0.000 0.934 71 K CB -0.148 31.538 32.500 -1.356 0.000 0.718 71 K HN -0.003 nan 8.250 nan 0.000 0.443 72 K N 0.087 120.213 120.400 -0.456 0.000 2.049 72 K HA -0.211 4.109 4.320 0.002 0.000 0.219 72 K C 2.098 178.503 176.600 -0.324 0.000 1.056 72 K CA 2.279 58.299 56.287 -0.445 0.000 0.946 72 K CB -0.836 31.253 32.500 -0.686 0.000 0.723 72 K HN 0.342 nan 8.250 nan 0.000 0.453 73 F N 0.055 119.901 119.950 -0.174 0.000 2.113 73 F HA 0.039 4.567 4.527 0.001 0.000 0.297 73 F C 2.237 177.781 175.800 -0.427 0.000 1.103 73 F CA 1.082 58.822 58.000 -0.434 0.000 1.248 73 F CB -1.244 37.519 39.000 -0.395 0.000 0.999 73 F HN 0.115 nan 8.300 nan 0.000 0.475 74 L N -0.654 120.648 121.223 0.132 0.000 2.046 74 L HA -0.241 4.099 4.340 0.002 0.000 0.208 74 L C 2.325 179.392 176.870 0.329 0.000 1.077 74 L CA 1.706 56.725 54.840 0.298 0.000 0.747 74 L CB -1.263 41.033 42.059 0.396 0.000 0.896 74 L HN 0.232 nan 8.230 nan 0.000 0.432 75 Y N 0.447 120.854 120.300 0.178 0.000 2.097 75 Y HA -0.331 4.220 4.550 0.002 0.000 0.282 75 Y C 2.673 178.551 175.900 -0.037 0.000 1.152 75 Y CA 2.368 60.424 58.100 -0.074 0.000 1.136 75 Y CB -0.507 37.722 38.460 -0.384 0.000 0.975 75 Y HN 0.437 nan 8.280 nan 0.000 0.498 76 N N -0.486 118.257 118.700 0.072 0.000 2.223 76 N HA -0.191 4.550 4.740 0.002 0.000 0.185 76 N C 1.241 176.818 175.510 0.111 0.000 1.016 76 N CA 1.205 54.275 53.050 0.032 0.000 0.863 76 N CB -0.301 38.188 38.487 0.003 0.000 0.983 76 N HN 0.320 nan 8.380 nan 0.000 0.429 77 F N 0.418 120.412 119.950 0.073 0.000 2.789 77 F HA 0.107 4.635 4.527 0.001 0.000 0.300 77 F C 1.629 177.526 175.800 0.162 0.000 1.132 77 F CA 0.685 58.719 58.000 0.056 0.000 1.404 77 F CB -0.225 38.788 39.000 0.021 0.000 1.114 77 F HN 0.049 nan 8.300 nan 0.000 0.584 78 T N -4.596 110.142 114.554 0.307 0.000 3.393 78 T HA 0.139 4.490 4.350 0.002 0.000 0.298 78 T C 1.164 175.973 174.700 0.181 0.000 1.004 78 T CA -0.209 62.079 62.100 0.312 0.000 0.956 78 T CB 0.270 69.307 68.868 0.282 0.000 1.182 78 T HN -0.123 nan 8.240 nan 0.000 0.497 79 Q N 1.463 121.307 119.800 0.073 0.000 2.245 79 Q HA 0.330 4.671 4.340 0.002 0.000 0.201 79 Q C 1.067 177.190 176.000 0.205 0.000 0.955 79 Q CA 0.675 56.471 55.803 -0.012 0.000 0.870 79 Q CB 0.123 28.785 28.738 -0.126 0.000 0.945 79 Q HN 0.879 nan 8.270 nan 0.000 0.461 80 I N -3.693 117.022 120.570 0.242 0.000 3.002 80 I HA 0.586 4.757 4.170 0.002 0.000 0.310 80 I C -2.774 173.347 176.117 0.007 0.000 1.087 80 I CA -3.046 58.382 61.300 0.214 0.000 1.017 80 I CB 2.287 40.279 38.000 -0.013 0.000 1.226 80 I HN -0.313 nan 8.210 nan 0.000 0.443 81 P HA 0.290 nan 4.420 nan 0.000 0.274 81 P C -1.118 175.938 177.300 -0.408 0.000 1.237 81 P CA 0.114 62.980 63.100 -0.391 0.000 0.793 81 P CB 0.232 31.670 31.700 -0.436 0.000 0.977 82 H N -0.280 118.779 119.070 -0.017 0.000 2.924 82 H HA 0.259 4.816 4.556 0.002 0.000 0.229 82 H C -0.381 174.959 175.328 0.020 0.000 1.345 82 H CA -0.648 55.406 56.048 0.010 0.000 1.044 82 H CB -0.015 29.750 29.762 0.004 0.000 2.221 82 H HN 0.174 nan 8.280 nan 0.000 0.574 83 L N 1.998 123.293 121.223 0.119 0.000 2.525 83 L HA 0.204 4.545 4.340 0.002 0.000 0.278 83 L C 0.523 177.497 176.870 0.173 0.000 1.218 83 L CA 0.132 55.058 54.840 0.144 0.000 0.878 83 L CB 0.147 42.333 42.059 0.211 0.000 1.127 83 L HN 0.381 nan 8.230 nan 0.000 0.492 84 A N 3.838 126.768 122.820 0.183 0.000 2.546 84 A HA 0.434 4.755 4.320 0.002 0.000 0.243 84 A C 1.296 178.956 177.584 0.128 0.000 1.063 84 A CA 0.475 52.592 52.037 0.135 0.000 0.757 84 A CB -0.705 18.339 19.000 0.074 0.000 0.991 84 A HN 1.813 nan 8.150 nan 0.000 0.503 85 G N 1.498 110.382 108.800 0.140 0.000 2.175 85 G HA2 -0.130 3.831 3.960 0.002 0.000 0.244 85 G HA3 -0.130 3.831 3.960 0.002 0.000 0.244 85 G C 0.486 175.466 174.900 0.134 0.000 0.982 85 G CA 1.045 46.232 45.100 0.144 0.000 0.641 85 G HN 2.161 nan 8.290 nan 0.000 0.527 86 T N -2.896 111.739 114.554 0.134 0.000 2.944 86 T HA 0.703 5.054 4.350 0.002 0.000 0.284 86 T C 0.930 175.701 174.700 0.119 0.000 1.010 86 T CA 0.259 62.405 62.100 0.077 0.000 1.025 86 T CB 2.261 71.158 68.868 0.048 0.000 1.079 86 T HN -0.063 nan 8.240 nan 0.000 0.516 87 E N 0.121 120.369 120.200 0.081 0.000 2.204 87 E HA -0.145 4.205 4.350 0.002 0.000 0.194 87 E C 1.846 178.535 176.600 0.148 0.000 0.989 87 E CA 1.141 57.613 56.400 0.119 0.000 0.824 87 E CB -0.052 29.683 29.700 0.058 0.000 0.756 87 E HN 0.676 nan 8.360 nan 0.000 0.477 88 Q N 0.296 120.160 119.800 0.106 0.000 2.124 88 Q HA -0.121 4.220 4.340 0.002 0.000 0.202 88 Q C 1.824 177.954 176.000 0.217 0.000 0.977 88 Q CA 1.499 57.370 55.803 0.114 0.000 0.850 88 Q CB -0.261 28.477 28.738 -0.001 0.000 0.901 88 Q HN 0.136 nan 8.270 nan 0.000 0.429 89 N N -0.752 118.074 118.700 0.210 0.000 2.251 89 N HA -0.076 4.665 4.740 0.002 0.000 0.181 89 N C 1.160 176.709 175.510 0.065 0.000 1.019 89 N CA 0.431 53.582 53.050 0.169 0.000 0.862 89 N CB -0.198 38.398 38.487 0.181 0.000 0.992 89 N HN 0.211 nan 8.380 nan 0.000 0.429 90 F N 1.656 121.596 119.950 -0.018 0.000 2.120 90 F HA -0.215 4.313 4.527 0.002 0.000 0.300 90 F C 2.202 177.880 175.800 -0.204 0.000 1.095 90 F CA 1.717 59.593 58.000 -0.207 0.000 1.249 90 F CB -0.397 38.439 39.000 -0.274 0.000 0.995 90 F HN 0.134 nan 8.300 nan 0.000 0.480 91 Q N -0.292 119.390 119.800 -0.196 0.000 2.079 91 Q HA -0.171 4.170 4.340 0.002 0.000 0.200 91 Q C 2.139 177.977 176.000 -0.270 0.000 0.974 91 Q CA 1.664 57.319 55.803 -0.247 0.000 0.840 91 Q CB -0.427 28.297 28.738 -0.024 0.000 0.898 91 Q HN 0.498 nan 8.270 nan 0.000 0.430 92 L N 0.406 121.512 121.223 -0.195 0.000 2.017 92 L HA -0.145 4.195 4.340 0.002 0.000 0.208 92 L C 2.087 178.729 176.870 -0.379 0.000 1.073 92 L CA 2.112 56.794 54.840 -0.264 0.000 0.745 92 L CB -0.987 40.842 42.059 -0.383 0.000 0.894 92 L HN 0.178 nan 8.230 nan 0.000 0.432 93 A N -0.434 122.141 122.820 -0.408 0.000 1.884 93 A HA -0.294 4.027 4.320 0.002 0.000 0.219 93 A C 2.303 179.589 177.584 -0.498 0.000 1.197 93 A CA 2.253 54.023 52.037 -0.445 0.000 0.637 93 A CB -0.708 18.054 19.000 -0.397 0.000 0.827 93 A HN 0.435 nan 8.150 nan 0.000 0.450 94 K N -0.589 119.426 120.400 -0.642 0.000 2.113 94 K HA -0.239 4.082 4.320 0.002 0.000 0.208 94 K C 2.249 178.653 176.600 -0.327 0.000 1.047 94 K CA 1.889 57.869 56.287 -0.512 0.000 0.928 94 K CB -0.430 31.715 32.500 -0.591 0.000 0.716 94 K HN 0.812 nan 8.250 nan 0.000 0.446 95 Q N 0.448 120.069 119.800 -0.298 0.000 1.990 95 Q HA -0.115 4.226 4.340 0.002 0.000 0.200 95 Q C 2.098 177.938 176.000 -0.268 0.000 0.980 95 Q CA 1.125 56.800 55.803 -0.213 0.000 0.832 95 Q CB 0.058 28.712 28.738 -0.141 0.000 0.897 95 Q HN 0.172 nan 8.270 nan 0.000 0.427 96 I N 0.948 121.281 120.570 -0.396 0.000 2.194 96 I HA -0.326 3.845 4.170 0.002 0.000 0.246 96 I C 2.536 178.257 176.117 -0.660 0.000 1.093 96 I CA 1.597 62.517 61.300 -0.633 0.000 1.355 96 I CB -1.350 36.078 38.000 -0.953 0.000 1.046 96 I HN 0.507 nan 8.210 nan 0.000 0.413 97 Q N 1.120 120.643 119.800 -0.461 0.000 2.062 97 Q HA -0.233 4.108 4.340 0.002 0.000 0.209 97 Q C 2.409 178.313 176.000 -0.160 0.000 0.996 97 Q CA 3.020 58.667 55.803 -0.259 0.000 0.859 97 Q CB 0.102 28.720 28.738 -0.198 0.000 0.920 97 Q HN 0.529 nan 8.270 nan 0.000 0.415 98 S N 0.511 116.107 115.700 -0.174 0.000 2.368 98 S HA -0.156 4.315 4.470 0.002 0.000 0.224 98 S C 1.773 176.263 174.600 -0.183 0.000 1.029 98 S CA 1.329 59.452 58.200 -0.128 0.000 0.988 98 S CB -0.196 62.944 63.200 -0.101 0.000 0.838 98 S HN 0.448 nan 8.310 nan 0.000 0.462 99 Q N -0.515 119.107 119.800 -0.297 0.000 2.311 99 Q HA -0.022 4.319 4.340 0.002 0.000 0.203 99 Q C 1.597 177.044 176.000 -0.920 0.000 0.954 99 Q CA 0.727 56.163 55.803 -0.612 0.000 0.885 99 Q CB -0.144 28.222 28.738 -0.620 0.000 0.963 99 Q HN 0.543 nan 8.270 nan 0.000 0.471 100 W N 1.833 122.722 121.300 -0.684 0.000 2.409 100 W HA 0.008 4.669 4.660 0.002 0.000 0.299 100 W C 2.004 178.365 176.519 -0.263 0.000 1.203 100 W CA 0.334 57.383 57.345 -0.492 0.000 1.298 100 W CB -0.436 28.866 29.460 -0.263 0.000 1.127 100 W HN 0.057 nan 8.180 nan 0.000 0.528 101 K N 0.295 120.715 120.400 0.032 0.000 1.987 101 K HA -0.214 4.107 4.320 0.002 0.000 0.216 101 K C 2.114 178.728 176.600 0.024 0.000 1.051 101 K CA 2.377 58.683 56.287 0.032 0.000 0.942 101 K CB -0.483 32.026 32.500 0.015 0.000 0.722 101 K HN -0.157 nan 8.250 nan 0.000 0.444 102 E N 0.029 120.215 120.200 -0.023 0.000 2.108 102 E HA -0.199 4.152 4.350 0.002 0.000 0.203 102 E C 1.741 178.458 176.600 0.194 0.000 1.022 102 E CA 1.618 58.046 56.400 0.046 0.000 0.823 102 E CB -0.449 29.255 29.700 0.007 0.000 0.744 102 E HN 0.322 nan 8.360 nan 0.000 0.456 103 F N -0.627 119.343 119.950 0.033 0.000 2.722 103 F HA 0.232 4.760 4.527 0.002 0.000 0.298 103 F C 2.113 177.920 175.800 0.011 0.000 1.175 103 F CA 0.822 58.820 58.000 -0.003 0.000 1.462 103 F CB -0.770 38.181 39.000 -0.081 0.000 1.111 103 F HN 0.345 nan 8.300 nan 0.000 0.592 104 G N 0.065 108.982 108.800 0.195 0.000 2.134 104 G HA2 -0.246 3.715 3.960 0.002 0.000 0.209 104 G HA3 -0.246 3.715 3.960 0.002 0.000 0.209 104 G C 0.247 175.217 174.900 0.116 0.000 0.993 104 G CA -0.239 44.944 45.100 0.138 0.000 0.669 104 G HN 0.254 nan 8.290 nan 0.000 0.519 105 L N 0.653 121.933 121.223 0.095 0.000 2.483 105 L HA 0.187 4.528 4.340 0.002 0.000 0.275 105 L C 1.547 178.464 176.870 0.078 0.000 1.220 105 L CA 0.006 54.897 54.840 0.084 0.000 0.833 105 L CB 0.312 42.410 42.059 0.066 0.000 1.102 105 L HN 0.118 nan 8.230 nan 0.000 0.490 106 D N 0.234 120.675 120.400 0.068 0.000 2.123 106 D HA -0.041 4.600 4.640 0.002 0.000 0.200 106 D C 0.240 176.575 176.300 0.058 0.000 0.976 106 D CA 1.191 55.224 54.000 0.055 0.000 0.831 106 D CB 0.245 41.068 40.800 0.039 0.000 0.974 106 D HN 0.587 nan 8.370 nan 0.000 0.469 107 S N -0.049 115.690 115.700 0.065 0.000 2.548 107 S HA 0.540 5.010 4.470 0.002 0.000 0.276 107 S C -0.622 174.035 174.600 0.094 0.000 1.129 107 S CA -0.969 57.274 58.200 0.071 0.000 0.931 107 S CB 2.783 66.021 63.200 0.064 0.000 1.068 107 S HN -0.091 nan 8.310 nan 0.000 0.480 108 V N 2.112 122.087 119.914 0.102 0.000 2.380 108 V HA 0.502 4.623 4.120 0.002 0.000 0.286 108 V C -0.682 175.469 176.094 0.096 0.000 1.015 108 V CA -0.556 61.825 62.300 0.135 0.000 0.834 108 V CB 1.154 33.075 31.823 0.162 0.000 1.009 108 V HN 0.806 nan 8.190 nan 0.000 0.428 109 E N 3.599 123.858 120.200 0.099 0.000 2.242 109 E HA 0.578 4.929 4.350 0.002 0.000 0.275 109 E C -0.518 176.130 176.600 0.080 0.000 1.002 109 E CA -0.573 55.882 56.400 0.092 0.000 0.841 109 E CB 2.136 31.906 29.700 0.117 0.000 1.109 109 E HN 0.524 nan 8.360 nan 0.000 0.394 110 L N 1.310 122.592 121.223 0.099 0.000 2.326 110 L HA 0.563 4.904 4.340 0.002 0.000 0.278 110 L C 0.112 177.092 176.870 0.184 0.000 1.092 110 L CA -0.804 54.125 54.840 0.149 0.000 0.810 110 L CB 1.144 43.329 42.059 0.210 0.000 1.153 110 L HN 0.420 nan 8.230 nan 0.000 0.439 111 A N 3.175 126.100 122.820 0.175 0.000 2.343 111 A HA 0.610 4.931 4.320 0.002 0.000 0.308 111 A C -0.772 176.765 177.584 -0.078 0.000 1.092 111 A CA -0.618 51.450 52.037 0.050 0.000 0.751 111 A CB 0.722 19.860 19.000 0.230 0.000 1.203 111 A HN 0.848 nan 8.150 nan 0.000 0.452 112 H N 0.407 119.252 119.070 -0.374 0.000 2.621 112 H HA 0.816 5.372 4.556 0.002 0.000 0.360 112 H C -1.929 172.871 175.328 -0.880 0.000 1.163 112 H CA -0.717 55.034 56.048 -0.494 0.000 1.194 112 H CB 1.353 30.880 29.762 -0.393 0.000 1.649 112 H HN 0.531 nan 8.280 nan 0.000 0.532 113 Y N -0.491 119.771 120.300 -0.063 0.000 2.588 113 Y HA 0.239 4.790 4.550 0.001 0.000 0.343 113 Y C -0.767 175.096 175.900 -0.060 0.000 1.065 113 Y CA -1.033 57.029 58.100 -0.063 0.000 1.038 113 Y CB 2.140 40.566 38.460 -0.057 0.000 1.297 113 Y HN 0.589 nan 8.280 nan 0.000 0.467 114 D N 2.464 122.927 120.400 0.105 0.000 2.454 114 D HA 0.450 5.091 4.640 0.002 0.000 0.247 114 D C -0.848 175.463 176.300 0.018 0.000 1.129 114 D CA -0.078 53.941 54.000 0.031 0.000 0.877 114 D CB 1.598 42.407 40.800 0.014 0.000 1.082 114 D HN 0.392 nan 8.370 nan 0.000 0.537 115 V N -0.569 119.346 119.914 0.002 0.000 3.046 115 V HA 0.562 4.683 4.120 0.002 0.000 0.316 115 V C -0.223 175.861 176.094 -0.017 0.000 1.104 115 V CA -1.218 61.072 62.300 -0.015 0.000 1.006 115 V CB 2.160 33.968 31.823 -0.025 0.000 1.058 115 V HN 0.255 nan 8.190 nan 0.000 0.440 116 L N 2.535 123.766 121.223 0.013 0.000 2.385 116 L HA 0.442 4.783 4.340 0.002 0.000 0.281 116 L C -0.218 176.707 176.870 0.091 0.000 1.106 116 L CA 0.650 55.532 54.840 0.071 0.000 0.856 116 L CB -0.464 41.678 42.059 0.138 0.000 1.186 116 L HN 0.692 nan 8.230 nan 0.000 0.453 117 L N 3.253 124.386 121.223 -0.149 0.000 2.687 117 L HA 0.702 5.043 4.340 0.002 0.000 0.252 117 L C 0.043 176.534 176.870 -0.630 0.000 1.115 117 L CA -0.819 53.677 54.840 -0.573 0.000 0.893 117 L CB 1.509 43.026 42.059 -0.904 0.000 1.670 117 L HN 0.634 nan 8.230 nan 0.000 0.531 118 S N -1.085 114.039 115.700 -0.960 0.000 2.584 118 S HA 0.594 5.065 4.470 0.002 0.000 0.280 118 S C -1.796 172.484 174.600 -0.533 0.000 1.162 118 S CA -0.494 57.337 58.200 -0.615 0.000 0.951 118 S CB 0.678 63.414 63.200 -0.773 0.000 1.108 118 S HN 0.377 nan 8.310 nan 0.000 0.464 119 Y N 2.086 122.356 120.300 -0.050 0.000 2.609 119 Y HA 0.663 5.214 4.550 0.002 0.000 0.342 119 Y C -2.573 173.109 175.900 -0.363 0.000 1.058 119 Y CA -2.165 55.790 58.100 -0.242 0.000 1.055 119 Y CB 1.562 39.934 38.460 -0.147 0.000 1.292 119 Y HN 0.436 nan 8.280 nan 0.000 0.476 120 P HA 0.094 nan 4.420 nan 0.000 0.290 120 P C -0.664 176.597 177.300 -0.065 0.000 1.276 120 P CA -0.536 62.424 63.100 -0.232 0.000 0.808 120 P CB 0.671 32.184 31.700 -0.312 0.000 0.966 121 N N 2.546 121.251 118.700 0.008 0.000 2.412 121 N HA -0.067 4.674 4.740 0.002 0.000 0.279 121 N C 1.126 176.645 175.510 0.016 0.000 1.287 121 N CA 0.419 53.484 53.050 0.024 0.000 0.948 121 N CB 0.324 38.844 38.487 0.056 0.000 1.255 121 N HN 0.013 nan 8.380 nan 0.000 0.485 122 K N 1.687 122.078 120.400 -0.015 0.000 2.015 122 K HA -0.162 4.159 4.320 0.002 0.000 0.216 122 K C 1.920 178.524 176.600 0.006 0.000 1.052 122 K CA 2.240 58.517 56.287 -0.016 0.000 0.937 122 K CB -1.201 31.275 32.500 -0.041 0.000 0.719 122 K HN 0.899 nan 8.250 nan 0.000 0.446 123 T N -2.273 112.284 114.554 0.004 0.000 3.163 123 T HA -0.095 4.256 4.350 0.002 0.000 0.260 123 T C 0.468 175.190 174.700 0.037 0.000 1.156 123 T CA 1.217 63.325 62.100 0.013 0.000 1.072 123 T CB -0.540 68.328 68.868 0.000 0.000 0.937 123 T HN 0.432 nan 8.240 nan 0.000 0.528 124 H N 0.001 119.110 119.070 0.065 0.000 2.696 124 H HA 0.464 5.021 4.556 0.002 0.000 0.221 124 H C -3.114 172.343 175.328 0.215 0.000 1.399 124 H CA -1.930 54.191 56.048 0.121 0.000 1.408 124 H CB 0.061 29.857 29.762 0.056 0.000 1.853 124 H HN 0.262 nan 8.280 nan 0.000 0.546 125 P HA -0.101 nan 4.420 nan 0.000 0.264 125 P C -0.167 177.226 177.300 0.156 0.000 1.156 125 P CA 0.749 63.950 63.100 0.168 0.000 0.756 125 P CB 0.392 32.200 31.700 0.180 0.000 0.764 126 N N 2.546 121.293 118.700 0.079 0.000 2.499 126 N HA 0.364 5.105 4.740 0.002 0.000 0.281 126 N C -0.212 175.192 175.510 -0.177 0.000 1.098 126 N CA 0.078 53.055 53.050 -0.122 0.000 0.979 126 N CB 0.878 39.321 38.487 -0.075 0.000 1.121 126 N HN 0.473 nan 8.380 nan 0.000 0.466 127 Y N -1.412 118.674 120.300 -0.356 0.000 2.713 127 Y HA 0.573 5.123 4.550 0.001 0.000 0.335 127 Y C -1.691 174.065 175.900 -0.240 0.000 1.222 127 Y CA -1.271 56.605 58.100 -0.373 0.000 1.061 127 Y CB 0.766 39.064 38.460 -0.270 0.000 1.314 127 Y HN 0.274 nan 8.280 nan 0.000 0.453 128 I N 2.183 122.832 120.570 0.130 0.000 2.441 128 I HA 0.606 4.777 4.170 0.002 0.000 0.295 128 I C -0.444 175.854 176.117 0.302 0.000 0.994 128 I CA -0.888 60.526 61.300 0.189 0.000 1.144 128 I CB 1.937 40.035 38.000 0.163 0.000 1.314 128 I HN 0.619 nan 8.210 nan 0.000 0.445 129 S N 5.461 121.357 115.700 0.326 0.000 2.568 129 S HA 0.666 5.137 4.470 0.002 0.000 0.302 129 S C -0.289 174.492 174.600 0.301 0.000 1.082 129 S CA -0.614 57.760 58.200 0.290 0.000 1.009 129 S CB 1.967 65.387 63.200 0.368 0.000 1.069 129 S HN 0.350 nan 8.310 nan 0.000 0.500 130 I N 2.955 123.708 120.570 0.305 0.000 2.488 130 I HA 0.505 4.676 4.170 0.002 0.000 0.299 130 I C -0.502 175.740 176.117 0.208 0.000 0.984 130 I CA -0.775 60.685 61.300 0.267 0.000 1.250 130 I CB 1.185 39.311 38.000 0.210 0.000 1.389 130 I HN 0.541 nan 8.210 nan 0.000 0.488 131 I N 1.904 122.595 120.570 0.202 0.000 2.478 131 I HA 0.445 4.616 4.170 0.002 0.000 0.287 131 I C -0.340 175.863 176.117 0.144 0.000 1.042 131 I CA -0.935 60.462 61.300 0.161 0.000 1.067 131 I CB 1.535 39.629 38.000 0.155 0.000 1.233 131 I HN 0.549 nan 8.210 nan 0.000 0.431 132 N N 3.707 122.474 118.700 0.112 0.000 2.263 132 N HA 0.144 4.885 4.740 0.002 0.000 0.239 132 N C 1.270 176.834 175.510 0.090 0.000 1.317 132 N CA 0.594 53.702 53.050 0.097 0.000 0.909 132 N CB 0.129 38.661 38.487 0.075 0.000 1.171 132 N HN 0.785 nan 8.380 nan 0.000 0.492 133 E N -1.321 118.925 120.200 0.077 0.000 2.172 133 E HA -0.248 4.103 4.350 0.002 0.000 0.213 133 E C 1.209 177.844 176.600 0.057 0.000 1.051 133 E CA 2.653 59.090 56.400 0.063 0.000 0.860 133 E CB -2.063 nan 29.700 nan 0.000 0.755 133 E HN 0.972 nan 8.360 nan 0.000 0.462 134 D N -0.930 119.503 120.400 0.054 0.000 3.068 134 D HA 0.496 5.137 4.640 0.002 0.000 0.327 134 D C 1.082 177.418 176.300 0.059 0.000 1.361 134 D CA 0.556 54.586 54.000 0.051 0.000 0.877 134 D CB -0.743 nan 40.800 nan 0.000 1.088 134 D HN 1.170 nan 8.370 nan 0.000 0.489 135 G N 0.006 108.849 108.800 0.072 0.000 2.451 135 G HA2 0.004 3.965 3.960 0.002 0.000 0.296 135 G HA3 0.004 3.965 3.960 0.002 0.000 0.296 135 G C 0.553 175.504 174.900 0.085 0.000 0.922 135 G CA 0.717 45.869 45.100 0.087 0.000 1.074 135 G HN 1.414 nan 8.290 nan 0.000 0.509 136 N N 0.182 118.927 118.700 0.075 0.000 2.447 136 N HA 0.403 5.144 4.740 0.002 0.000 0.263 136 N C 0.396 175.957 175.510 0.086 0.000 1.226 136 N CA 0.591 53.681 53.050 0.068 0.000 0.906 136 N CB 0.213 nan 38.487 nan 0.000 1.060 136 N HN 0.662 nan 8.380 nan 0.000 0.468 137 E N 1.704 121.955 120.200 0.085 0.000 1.858 137 E HA 0.127 4.478 4.350 0.002 0.000 0.267 137 E C 0.490 177.125 176.600 0.059 0.000 1.215 137 E CA -0.110 56.344 56.400 0.090 0.000 0.952 137 E CB 0.062 29.813 29.700 0.086 0.000 1.058 137 E HN 0.710 nan 8.360 nan 0.000 0.407 138 I N 2.239 122.861 120.570 0.087 0.000 2.133 138 I HA -0.169 4.002 4.170 0.002 0.000 0.238 138 I C 0.864 177.057 176.117 0.125 0.000 1.074 138 I CA 1.074 62.427 61.300 0.088 0.000 1.342 138 I CB 0.078 38.132 38.000 0.090 0.000 1.053 138 I HN 0.354 nan 8.210 nan 0.000 0.404 139 F N 1.510 121.448 119.950 -0.020 0.000 2.520 139 F HA 0.485 5.013 4.527 0.002 0.000 0.322 139 F C -0.519 175.263 175.800 -0.031 0.000 1.103 139 F CA -0.885 57.093 58.000 -0.037 0.000 0.926 139 F CB 0.897 39.870 39.000 -0.045 0.000 1.154 139 F HN -0.091 nan 8.300 nan 0.000 0.453 140 N N 2.052 120.132 118.700 -1.033 0.000 2.380 140 N HA 0.413 5.154 4.740 0.002 0.000 0.290 140 N C -0.980 173.830 175.510 -1.166 0.000 1.236 140 N CA -0.513 52.014 53.050 -0.872 0.000 0.780 140 N CB 1.994 40.070 38.487 -0.686 0.000 1.438 140 N HN 0.648 nan 8.380 nan 0.000 0.491 141 T N -2.102 112.136 114.554 -0.527 0.000 2.881 141 T HA 0.415 4.766 4.350 0.002 0.000 0.278 141 T C 0.759 175.338 174.700 -0.201 0.000 0.982 141 T CA -0.598 61.353 62.100 -0.249 0.000 0.989 141 T CB 0.729 69.620 68.868 0.039 0.000 1.058 141 T HN 0.253 nan 8.240 nan 0.000 0.529 142 S N 0.028 115.663 115.700 -0.108 0.000 2.572 142 S HA 0.128 4.598 4.470 0.002 0.000 0.262 142 S C 1.075 175.614 174.600 -0.103 0.000 1.375 142 S CA -0.466 57.633 58.200 -0.168 0.000 0.996 142 S CB -0.177 62.915 63.200 -0.181 0.000 0.892 142 S HN 0.614 nan 8.310 nan 0.000 0.562 143 L N 0.593 121.736 121.223 -0.133 0.000 2.858 143 L HA 0.396 4.736 4.340 0.002 0.000 0.251 143 L C -0.430 176.600 176.870 0.267 0.000 1.149 143 L CA -0.012 54.895 54.840 0.112 0.000 0.955 143 L CB -0.095 42.081 42.059 0.196 0.000 1.289 143 L HN 0.673 nan 8.230 nan 0.000 0.542 144 F N -2.387 117.587 119.950 0.039 0.000 2.770 144 F HA 0.497 5.024 4.527 0.001 0.000 0.313 144 F C -1.009 174.808 175.800 0.028 0.000 1.154 144 F CA -1.506 56.512 58.000 0.030 0.000 0.923 144 F CB 0.738 39.754 39.000 0.027 0.000 1.301 144 F HN -0.200 nan 8.300 nan 0.000 0.449 145 E N 2.549 122.817 120.200 0.113 0.000 2.313 145 E HA 0.323 4.674 4.350 0.002 0.000 0.276 145 E C -2.576 174.167 176.600 0.239 0.000 1.031 145 E CA -2.030 54.391 56.400 0.034 0.000 0.857 145 E CB 0.314 29.979 29.700 -0.059 0.000 1.040 145 E HN 0.290 nan 8.360 nan 0.000 0.408 146 P HA -0.025 nan 4.420 nan 0.000 0.255 146 P C -2.446 175.095 177.300 0.401 0.000 1.173 146 P CA -0.777 62.535 63.100 0.354 0.000 0.780 146 P CB -0.450 31.421 31.700 0.285 0.000 0.758 147 P HA 0.116 nan 4.420 nan 0.000 0.269 147 P C -2.074 175.478 177.300 0.420 0.000 1.209 147 P CA -1.124 62.164 63.100 0.313 0.000 0.776 147 P CB -0.830 31.041 31.700 0.285 0.000 0.876 148 P HA 0.109 nan 4.420 nan 0.000 0.269 148 P C -2.427 175.157 177.300 0.474 0.000 1.215 148 P CA -1.249 62.193 63.100 0.569 0.000 0.780 148 P CB -1.064 31.019 31.700 0.639 0.000 0.898 149 P HA -0.040 nan 4.420 nan 0.000 0.257 149 P C 0.986 178.461 177.300 0.292 0.000 1.153 149 P CA 1.712 64.966 63.100 0.258 0.000 0.762 149 P CB -0.639 31.157 31.700 0.160 0.000 0.743 150 G N 2.220 111.128 108.800 0.180 0.000 2.134 150 G HA2 -0.243 3.717 3.960 0.002 0.000 0.209 150 G HA3 -0.243 3.717 3.960 0.002 0.000 0.209 150 G C -0.073 174.710 174.900 -0.195 0.000 0.993 150 G CA -0.468 44.618 45.100 -0.023 0.000 0.669 150 G HN 0.525 nan 8.290 nan 0.000 0.519 151 Y N -0.976 119.373 120.300 0.083 0.000 2.734 151 Y HA 0.502 5.053 4.550 0.001 0.000 0.251 151 Y C 1.669 177.641 175.900 0.121 0.000 1.049 151 Y CA 0.719 58.877 58.100 0.096 0.000 1.103 151 Y CB -0.194 38.340 38.460 0.123 0.000 1.201 151 Y HN 0.283 nan 8.280 nan 0.000 0.618 152 E N 0.953 121.270 120.200 0.195 0.000 2.021 152 E HA -0.311 4.040 4.350 0.002 0.000 0.200 152 E C 1.875 178.540 176.600 0.108 0.000 1.015 152 E CA 2.340 58.816 56.400 0.126 0.000 0.824 152 E CB -1.384 nan 29.700 nan 0.000 0.762 152 E HN 0.631 nan 8.360 nan 0.000 0.454 153 N N -0.205 118.544 118.700 0.083 0.000 1.200 153 N HA -0.179 4.562 4.740 0.002 0.000 0.113 153 N C 2.302 177.893 175.510 0.135 0.000 0.317 153 N CA 3.734 56.830 53.050 0.078 0.000 0.854 153 N CB -1.887 nan 38.487 nan 0.000 0.794 153 N HN 2.045 nan 8.380 nan 0.000 1.352 154 V N 0.063 120.132 119.914 0.259 0.000 4.843 154 V HA 0.092 4.213 4.120 0.002 0.000 0.220 154 V C 1.814 178.001 176.094 0.156 0.000 0.965 154 V CA 2.697 65.203 62.300 0.343 0.000 0.875 154 V CB -1.887 nan 31.823 nan 0.000 0.537 154 V HN 1.645 nan 8.190 nan 0.000 0.371 155 S N 1.851 117.617 115.700 0.111 0.000 2.362 155 S HA 0.028 4.499 4.470 0.002 0.000 0.221 155 S C 0.711 175.317 174.600 0.009 0.000 1.032 155 S CA 1.386 59.614 58.200 0.046 0.000 0.973 155 S CB 0.220 63.441 63.200 0.035 0.000 0.849 155 S HN 0.903 nan 8.310 nan 0.000 0.465 156 D N 0.419 120.817 120.400 -0.003 0.000 2.354 156 D HA 0.353 4.993 4.640 0.002 0.000 0.230 156 D C -1.380 174.885 176.300 -0.059 0.000 1.361 156 D CA -0.126 53.855 54.000 -0.031 0.000 0.992 156 D CB 1.105 41.882 40.800 -0.038 0.000 1.409 156 D HN 0.322 nan 8.370 nan 0.000 0.573 157 I N 1.619 122.148 120.570 -0.068 0.000 2.396 157 I HA 0.084 4.255 4.170 0.002 0.000 0.289 157 I C 1.008 177.107 176.117 -0.031 0.000 1.056 157 I CA -0.551 60.685 61.300 -0.106 0.000 1.365 157 I CB 1.281 39.228 38.000 -0.089 0.000 1.407 157 I HN 0.016 nan 8.210 nan 0.000 0.509 158 V N 10.102 130.025 119.914 0.015 0.000 2.694 158 V HA 0.032 4.153 4.120 0.002 0.000 0.306 158 V C -1.566 174.585 176.094 0.095 0.000 1.054 158 V CA -0.955 61.396 62.300 0.085 0.000 1.161 158 V CB 0.582 32.548 31.823 0.237 0.000 0.916 158 V HN 0.613 nan 8.190 nan 0.000 0.490 159 P HA 0.225 nan 4.420 nan 0.000 0.269 159 P C -2.690 174.721 177.300 0.185 0.000 1.215 159 P CA -1.424 61.759 63.100 0.138 0.000 0.780 159 P CB -0.286 31.500 31.700 0.143 0.000 0.898 160 P HA 0.074 nan 4.420 nan 0.000 0.267 160 P C -0.613 176.798 177.300 0.184 0.000 1.195 160 P CA 0.862 63.976 63.100 0.024 0.000 0.773 160 P CB -0.064 31.590 31.700 -0.076 0.000 0.837 161 F N -2.324 117.451 119.950 -0.292 0.000 2.793 161 F HA 0.407 4.935 4.527 0.002 0.000 0.316 161 F C -1.490 174.130 175.800 -0.301 0.000 1.147 161 F CA -0.962 56.891 58.000 -0.245 0.000 0.930 161 F CB 0.436 39.407 39.000 -0.048 0.000 1.277 161 F HN -0.015 nan 8.300 nan 0.000 0.443 162 S N 2.266 117.774 115.700 -0.320 0.000 2.430 162 S HA 0.684 5.155 4.470 0.002 0.000 0.289 162 S C 0.222 174.673 174.600 -0.249 0.000 1.143 162 S CA -0.182 57.795 58.200 -0.372 0.000 1.067 162 S CB 0.919 64.041 63.200 -0.129 0.000 0.964 162 S HN 0.948 nan 8.310 nan 0.000 0.485 163 A N 2.571 125.111 122.820 -0.467 0.000 2.520 163 A HA 0.459 4.780 4.320 0.002 0.000 0.235 163 A C 0.371 178.065 177.584 0.183 0.000 1.065 163 A CA -0.037 51.954 52.037 -0.077 0.000 0.764 163 A CB -0.774 18.168 19.000 -0.097 0.000 1.002 163 A HN 0.966 nan 8.150 nan 0.000 0.502 164 F N 0.172 120.263 119.950 0.235 0.000 3.048 164 F HA -0.212 4.316 4.527 0.002 0.000 0.287 164 F C 1.230 177.093 175.800 0.105 0.000 0.796 164 F CA 1.074 59.163 58.000 0.148 0.000 1.111 164 F CB -2.114 36.953 39.000 0.112 0.000 1.320 164 F HN 0.589 nan 8.300 nan 0.000 0.430 165 S N 2.120 117.961 115.700 0.236 0.000 2.552 165 S HA 0.267 4.738 4.470 0.002 0.000 0.289 165 S C -1.351 173.334 174.600 0.142 0.000 1.304 165 S CA -1.110 57.186 58.200 0.161 0.000 1.063 165 S CB 0.592 63.873 63.200 0.136 0.000 0.848 165 S HN 0.080 nan 8.310 nan 0.000 0.499 166 P HA 0.060 nan 4.420 nan 0.000 0.269 166 P C -0.545 176.800 177.300 0.074 0.000 1.215 166 P CA -0.176 62.977 63.100 0.087 0.000 0.780 166 P CB 0.327 32.063 31.700 0.061 0.000 0.898 167 Q N -0.003 119.843 119.800 0.076 0.000 2.395 167 Q HA 0.476 4.817 4.340 0.002 0.000 0.271 167 Q C 0.573 176.602 176.000 0.049 0.000 1.026 167 Q CA 0.904 56.752 55.803 0.077 0.000 0.900 167 Q CB 0.325 29.124 28.738 0.102 0.000 1.266 167 Q HN 0.777 nan 8.270 nan 0.000 0.430 168 G N 0.965 109.782 108.800 0.028 0.000 2.322 168 G HA2 0.405 4.366 3.960 0.002 0.000 0.295 168 G HA3 0.405 4.366 3.960 0.002 0.000 0.295 168 G C -1.229 173.622 174.900 -0.082 0.000 1.369 168 G CA -0.815 44.279 45.100 -0.010 0.000 0.821 168 G HN 0.508 nan 8.290 nan 0.000 0.536 169 M N 1.389 120.924 119.600 -0.109 0.000 4.568 169 M HA 0.231 4.712 4.480 0.002 0.000 0.533 169 M C -2.859 173.333 176.300 -0.181 0.000 2.143 169 M CA -0.980 54.181 55.300 -0.232 0.000 0.483 169 M CB 1.688 34.138 32.600 -0.249 0.000 1.438 169 M HN 0.373 nan 8.290 nan 0.000 0.591 170 P HA 0.344 nan 4.420 nan 0.000 0.276 170 P C -0.984 176.281 177.300 -0.059 0.000 1.252 170 P CA 0.085 63.144 63.100 -0.069 0.000 0.802 170 P CB 1.166 32.843 31.700 -0.037 0.000 1.035 171 E N -0.297 119.887 120.200 -0.027 0.000 2.312 171 E HA 0.706 5.057 4.350 0.002 0.000 0.267 171 E C -0.077 176.526 176.600 0.004 0.000 0.894 171 E CA -0.972 55.427 56.400 -0.001 0.000 0.773 171 E CB 2.207 31.913 29.700 0.009 0.000 1.241 171 E HN 0.759 nan 8.360 nan 0.000 0.432 172 G N 1.322 110.126 108.800 0.007 0.000 2.404 172 G HA2 0.088 4.049 3.960 0.002 0.000 0.253 172 G HA3 0.088 4.049 3.960 0.002 0.000 0.253 172 G C -1.796 173.078 174.900 -0.044 0.000 1.253 172 G CA -0.755 44.341 45.100 -0.007 0.000 0.917 172 G HN 0.406 nan 8.290 nan 0.000 0.480 173 D N 0.984 121.342 120.400 -0.071 0.000 2.440 173 D HA 0.519 5.160 4.640 0.002 0.000 0.239 173 D C 0.177 176.378 176.300 -0.165 0.000 1.084 173 D CA -0.408 53.494 54.000 -0.164 0.000 0.843 173 D CB 1.867 42.590 40.800 -0.127 0.000 1.097 173 D HN 0.225 nan 8.370 nan 0.000 0.531 174 L N 2.062 123.131 121.223 -0.257 0.000 2.628 174 L HA -0.064 4.277 4.340 0.002 0.000 0.292 174 L C -0.103 176.720 176.870 -0.078 0.000 1.250 174 L CA 0.758 55.514 54.840 -0.141 0.000 0.892 174 L CB 0.258 42.220 42.059 -0.163 0.000 1.138 174 L HN 0.160 nan 8.230 nan 0.000 0.502 175 V N 5.085 125.004 119.914 0.007 0.000 2.487 175 V HA 0.273 4.394 4.120 0.002 0.000 0.298 175 V C -0.615 175.549 176.094 0.116 0.000 1.028 175 V CA -0.873 61.461 62.300 0.056 0.000 0.860 175 V CB 1.556 33.406 31.823 0.045 0.000 0.991 175 V HN 0.563 nan 8.190 nan 0.000 0.427 176 Y N 5.357 125.684 120.300 0.045 0.000 2.320 176 Y HA 0.549 5.100 4.550 0.001 0.000 0.324 176 Y C 0.652 176.589 175.900 0.061 0.000 1.190 176 Y CA -0.025 58.113 58.100 0.064 0.000 1.215 176 Y CB 1.876 40.414 38.460 0.129 0.000 1.221 176 Y HN 0.389 nan 8.280 nan 0.000 0.486 177 V N 1.202 120.573 119.914 -0.904 0.000 3.509 177 V HA 0.310 4.431 4.120 0.002 0.000 0.286 177 V C 0.313 175.599 176.094 -1.347 0.000 1.618 177 V CA 0.445 62.234 62.300 -0.851 0.000 1.088 177 V CB -0.712 30.674 31.823 -0.728 0.000 0.909 177 V HN 0.949 nan 8.190 nan 0.000 0.429 178 N N 1.180 118.772 118.700 -1.847 0.000 1.736 178 N HA -0.289 4.452 4.740 0.002 0.000 0.186 178 N C 0.382 175.328 175.510 -0.939 0.000 0.790 178 N CA 2.469 54.581 53.050 -1.564 0.000 1.247 178 N CB -1.537 35.687 38.487 -2.105 0.000 1.496 178 N HN 0.374 nan 8.380 nan 0.000 0.424 179 Y N 1.280 121.242 120.300 -0.563 0.000 2.482 179 Y HA 0.565 5.116 4.550 0.002 0.000 0.270 179 Y C 1.599 177.380 175.900 -0.199 0.000 1.152 179 Y CA 1.356 59.285 58.100 -0.286 0.000 1.292 179 Y CB -0.298 38.048 38.460 -0.190 0.000 1.070 179 Y HN 0.655 nan 8.280 nan 0.000 0.528 180 A N 0.460 123.192 122.820 -0.146 0.000 2.872 180 A HA -0.285 4.036 4.320 0.002 0.000 0.273 180 A C 0.634 178.375 177.584 0.262 0.000 1.442 180 A CA 0.651 52.745 52.037 0.095 0.000 0.801 180 A CB -2.195 16.914 19.000 0.182 0.000 1.031 180 A HN 0.457 nan 8.150 nan 0.000 0.582 181 R N -0.926 119.657 120.500 0.138 0.000 2.615 181 R HA 0.449 4.790 4.340 0.002 0.000 0.270 181 R C 1.725 178.120 176.300 0.158 0.000 1.081 181 R CA 0.167 56.341 56.100 0.124 0.000 1.154 181 R CB 0.198 30.547 30.300 0.081 0.000 1.063 181 R HN 0.354 nan 8.270 nan 0.000 0.519 182 T N 1.734 116.293 114.554 0.010 0.000 2.649 182 T HA -0.225 4.126 4.350 0.002 0.000 0.268 182 T C 1.635 176.179 174.700 -0.261 0.000 1.036 182 T CA 2.095 64.073 62.100 -0.203 0.000 1.157 182 T CB -0.148 68.475 68.868 -0.408 0.000 0.861 182 T HN 0.695 nan 8.240 nan 0.000 0.445 183 E N 1.241 121.418 120.200 -0.039 0.000 2.072 183 E HA -0.168 4.183 4.350 0.002 0.000 0.191 183 E C 1.637 178.392 176.600 0.258 0.000 0.985 183 E CA 1.359 57.859 56.400 0.167 0.000 0.801 183 E CB -0.565 29.287 29.700 0.253 0.000 0.750 183 E HN 0.434 nan 8.360 nan 0.000 0.452 184 D N 1.049 121.560 120.400 0.185 0.000 2.126 184 D HA -0.185 4.456 4.640 0.002 0.000 0.190 184 D C 1.926 178.329 176.300 0.173 0.000 1.001 184 D CA 1.263 55.374 54.000 0.185 0.000 0.841 184 D CB -0.768 39.863 40.800 -0.283 0.000 0.949 184 D HN 0.236 nan 8.370 nan 0.000 0.446 185 F N 0.034 120.026 119.950 0.070 0.000 2.171 185 F HA -0.155 4.373 4.527 0.001 0.000 0.300 185 F C 2.289 178.220 175.800 0.218 0.000 1.090 185 F CA 0.552 58.601 58.000 0.082 0.000 1.293 185 F CB -0.320 38.658 39.000 -0.038 0.000 1.013 185 F HN -0.125 nan 8.300 nan 0.000 0.486 186 F N 0.676 120.802 119.950 0.292 0.000 2.046 186 F HA -0.234 4.294 4.527 0.002 0.000 0.297 186 F C 2.440 178.323 175.800 0.139 0.000 1.123 186 F CA 1.389 59.498 58.000 0.182 0.000 1.199 186 F CB -1.357 37.728 39.000 0.142 0.000 0.972 186 F HN -0.160 nan 8.300 nan 0.000 0.474 187 K N 0.352 120.976 120.400 0.374 0.000 2.034 187 K HA -0.215 4.106 4.320 0.002 0.000 0.214 187 K C 2.061 178.731 176.600 0.116 0.000 1.051 187 K CA 1.219 57.624 56.287 0.198 0.000 0.931 187 K CB -0.998 31.635 32.500 0.221 0.000 0.715 187 K HN 0.119 nan 8.250 nan 0.000 0.446 188 L N 0.375 121.703 121.223 0.174 0.000 2.012 188 L HA -0.177 4.164 4.340 0.002 0.000 0.210 188 L C 2.483 179.417 176.870 0.106 0.000 1.073 188 L CA 2.668 57.569 54.840 0.102 0.000 0.748 188 L CB -0.830 41.295 42.059 0.110 0.000 0.891 188 L HN 0.488 nan 8.230 nan 0.000 0.431 189 E N -1.175 119.132 120.200 0.178 0.000 2.340 189 E HA 0.002 4.353 4.350 0.002 0.000 0.198 189 E C 2.197 178.868 176.600 0.120 0.000 0.961 189 E CA 0.565 57.061 56.400 0.160 0.000 0.905 189 E CB -0.350 29.483 29.700 0.221 0.000 0.884 189 E HN 0.545 nan 8.360 nan 0.000 0.491 190 R N 0.134 120.710 120.500 0.125 0.000 2.140 190 R HA 0.086 4.427 4.340 0.002 0.000 0.213 190 R C 1.002 177.315 176.300 0.021 0.000 1.059 190 R CA 1.269 57.398 56.100 0.050 0.000 1.000 190 R CB 0.253 30.548 30.300 -0.008 0.000 0.910 190 R HN 0.353 nan 8.270 nan 0.000 0.455 191 D N 0.445 120.858 120.400 0.023 0.000 2.733 191 D HA 0.040 4.681 4.640 0.002 0.000 0.262 191 D C 1.887 178.176 176.300 -0.018 0.000 1.497 191 D CA 0.440 54.434 54.000 -0.010 0.000 1.101 191 D CB -0.635 40.149 40.800 -0.026 0.000 1.014 191 D HN -0.099 nan 8.370 nan 0.000 0.319 192 M N 0.660 120.234 119.600 -0.043 0.000 2.164 192 M HA -0.283 4.198 4.480 0.002 0.000 0.251 192 M C 1.555 177.853 176.300 -0.005 0.000 1.087 192 M CA 2.702 57.977 55.300 -0.041 0.000 1.071 192 M CB -1.403 31.152 32.600 -0.076 0.000 1.347 192 M HN 0.288 nan 8.290 nan 0.000 0.399 193 K N -1.398 119.013 120.400 0.018 0.000 3.274 193 K HA -0.100 4.221 4.320 0.002 0.000 0.300 193 K C -0.006 176.616 176.600 0.036 0.000 1.230 193 K CA 1.447 57.753 56.287 0.032 0.000 0.884 193 K CB -3.181 29.331 32.500 0.020 0.000 1.242 193 K HN 0.831 nan 8.250 nan 0.000 0.467 194 I N 0.710 121.301 120.570 0.035 0.000 2.634 194 I HA 0.650 4.821 4.170 0.002 0.000 0.284 194 I C 0.469 176.625 176.117 0.065 0.000 1.124 194 I CA -0.126 61.198 61.300 0.041 0.000 1.417 194 I CB 1.119 39.139 38.000 0.034 0.000 1.396 194 I HN 0.680 nan 8.210 nan 0.000 0.571 195 N N 4.011 122.749 118.700 0.064 0.000 2.446 195 N HA 0.275 5.016 4.740 0.002 0.000 0.265 195 N C 0.275 175.835 175.510 0.085 0.000 0.975 195 N CA -0.458 52.638 53.050 0.078 0.000 0.928 195 N CB 1.494 40.018 38.487 0.060 0.000 1.160 195 N HN 0.720 nan 8.380 nan 0.000 0.495 196 C N 1.367 120.738 119.300 0.120 0.000 2.500 196 C HA 0.074 4.535 4.460 0.002 0.000 0.273 196 C C 1.607 176.653 174.990 0.093 0.000 1.428 196 C CA -0.031 59.062 59.018 0.125 0.000 1.766 196 C CB -1.549 26.319 27.740 0.215 0.000 1.817 196 C HN 0.798 nan 8.230 nan 0.000 0.543 197 S N 0.457 116.203 115.700 0.078 0.000 2.559 197 S HA 0.325 4.796 4.470 0.002 0.000 0.282 197 S C 1.493 176.120 174.600 0.044 0.000 1.336 197 S CA 1.071 59.305 58.200 0.056 0.000 1.037 197 S CB 0.216 63.444 63.200 0.048 0.000 0.853 197 S HN 1.325 nan 8.310 nan 0.000 0.523 198 G N 2.643 111.464 108.800 0.035 0.000 2.284 198 G HA2 -0.311 3.650 3.960 0.002 0.000 0.268 198 G HA3 -0.311 3.650 3.960 0.002 0.000 0.268 198 G C 0.154 175.068 174.900 0.024 0.000 0.980 198 G CA 1.281 46.396 45.100 0.026 0.000 0.631 198 G HN 0.875 nan 8.290 nan 0.000 0.548 199 K N -0.281 120.139 120.400 0.033 0.000 2.240 199 K HA 0.774 5.095 4.320 0.002 0.000 0.237 199 K C 0.633 177.249 176.600 0.027 0.000 1.027 199 K CA -0.667 55.634 56.287 0.024 0.000 0.937 199 K CB 0.930 33.444 32.500 0.025 0.000 1.171 199 K HN 0.160 nan 8.250 nan 0.000 0.479 200 I N 1.501 122.080 120.570 0.016 0.000 2.378 200 I HA 0.216 4.387 4.170 0.002 0.000 0.291 200 I C -0.645 175.495 176.117 0.038 0.000 0.992 200 I CA -1.059 60.256 61.300 0.026 0.000 1.154 200 I CB 1.640 39.650 38.000 0.016 0.000 1.315 200 I HN 0.209 nan 8.210 nan 0.000 0.448 201 V N 8.241 128.190 119.914 0.058 0.000 2.465 201 V HA 0.447 4.568 4.120 0.002 0.000 0.279 201 V C -0.395 175.740 176.094 0.068 0.000 1.045 201 V CA -0.318 62.021 62.300 0.064 0.000 0.938 201 V CB 1.677 33.556 31.823 0.094 0.000 0.986 201 V HN 0.638 nan 8.190 nan 0.000 0.467 202 I N 7.145 127.771 120.570 0.095 0.000 2.404 202 I HA 0.861 5.032 4.170 0.002 0.000 0.293 202 I C -0.067 176.135 176.117 0.142 0.000 0.992 202 I CA 0.029 61.418 61.300 0.148 0.000 1.149 202 I CB 1.360 39.485 38.000 0.208 0.000 1.315 202 I HN 0.884 nan 8.210 nan 0.000 0.446 203 A N 6.902 129.766 122.820 0.073 0.000 2.530 203 A HA 0.857 5.178 4.320 0.002 0.000 0.288 203 A C -1.236 176.259 177.584 -0.150 0.000 1.172 203 A CA -0.961 51.040 52.037 -0.060 0.000 0.733 203 A CB 1.468 20.385 19.000 -0.138 0.000 1.320 203 A HN 0.791 nan 8.150 nan 0.000 0.419 204 R N 0.183 120.532 120.500 -0.252 0.000 2.514 204 R HA 0.622 4.963 4.340 0.002 0.000 0.301 204 R C -1.158 175.115 176.300 -0.044 0.000 0.962 204 R CA -0.541 55.302 56.100 -0.429 0.000 0.882 204 R CB 0.749 30.706 30.300 -0.572 0.000 1.143 204 R HN 0.675 nan 8.270 nan 0.000 0.452 205 Y N 1.614 121.891 120.300 -0.038 0.000 2.641 205 Y HA 0.158 4.708 4.550 0.001 0.000 0.351 205 Y C 1.486 177.583 175.900 0.328 0.000 1.269 205 Y CA 1.560 59.741 58.100 0.135 0.000 1.485 205 Y CB 0.545 39.050 38.460 0.076 0.000 1.364 205 Y HN 1.032 nan 8.280 nan 0.000 0.651 206 G N 0.916 110.004 108.800 0.480 0.000 2.587 206 G HA2 0.044 4.005 3.960 0.002 0.000 0.686 206 G HA3 0.044 4.005 3.960 0.002 0.000 0.686 206 G C -0.346 174.535 174.900 -0.032 0.000 1.236 206 G CA -0.351 44.872 45.100 0.205 0.000 0.820 206 G HN 0.675 nan 8.290 nan 0.000 0.645 207 K N -2.648 117.690 120.400 -0.103 0.000 8.125 207 K HA -0.229 4.092 4.320 0.002 0.000 0.489 207 K C 1.028 177.689 176.600 0.101 0.000 0.360 207 K CA 3.588 59.798 56.287 -0.128 0.000 1.963 207 K CB -1.846 30.324 32.500 -0.549 0.000 0.652 207 K HN 2.408 nan 8.250 nan 0.000 0.914 208 V N -2.122 117.830 119.914 0.063 0.000 3.102 208 V HA 0.722 4.843 4.120 0.002 0.000 0.312 208 V C -0.101 176.007 176.094 0.023 0.000 1.135 208 V CA -0.716 61.605 62.300 0.034 0.000 1.022 208 V CB 1.686 33.498 31.823 -0.017 0.000 1.056 208 V HN 0.338 nan 8.190 nan 0.000 0.436 209 F N 3.972 123.679 119.950 -0.405 0.000 2.612 209 F HA 0.250 4.778 4.527 0.002 0.000 0.389 209 F C 1.927 177.589 175.800 -0.230 0.000 1.055 209 F CA 0.539 58.132 58.000 -0.678 0.000 1.232 209 F CB 0.754 39.178 39.000 -0.959 0.000 1.044 209 F HN 0.880 nan 8.300 nan 0.000 0.560 210 R N 3.604 123.675 120.500 -0.714 0.000 2.170 210 R HA -0.145 4.196 4.340 0.002 0.000 0.242 210 R C 1.804 177.705 176.300 -0.664 0.000 1.145 210 R CA 1.546 57.344 56.100 -0.504 0.000 0.984 210 R CB -1.313 28.855 30.300 -0.221 0.000 0.869 210 R HN 0.779 nan 8.270 nan 0.000 0.455 211 G N 0.769 108.766 108.800 -1.338 0.000 2.422 211 G HA2 -0.258 3.703 3.960 0.002 0.000 0.218 211 G HA3 -0.258 3.703 3.960 0.002 0.000 0.218 211 G C 0.929 175.746 174.900 -0.139 0.000 1.140 211 G CA 0.801 45.590 45.100 -0.517 0.000 0.775 211 G HN 0.428 nan 8.290 nan 0.000 0.545 212 N N 0.600 119.253 118.700 -0.078 0.000 2.104 212 N HA -0.079 4.662 4.740 0.002 0.000 0.190 212 N C 2.157 177.635 175.510 -0.055 0.000 1.024 212 N CA 1.491 54.525 53.050 -0.028 0.000 0.853 212 N CB -0.104 38.384 38.487 0.001 0.000 1.008 212 N HN 0.360 nan 8.380 nan 0.000 0.424 213 K N 0.213 120.576 120.400 -0.062 0.000 2.002 213 K HA -0.039 4.282 4.320 0.002 0.000 0.209 213 K C 1.883 178.472 176.600 -0.019 0.000 1.048 213 K CA 1.138 57.428 56.287 0.005 0.000 0.930 213 K CB -0.461 32.050 32.500 0.018 0.000 0.714 213 K HN -0.024 nan 8.250 nan 0.000 0.438 214 V N 2.370 122.249 119.914 -0.059 0.000 2.469 214 V HA -0.265 3.855 4.120 0.002 0.000 0.251 214 V C 2.432 178.487 176.094 -0.065 0.000 1.064 214 V CA 1.698 63.968 62.300 -0.050 0.000 1.066 214 V CB -0.528 31.259 31.823 -0.060 0.000 0.667 214 V HN 0.351 nan 8.190 nan 0.000 0.461 215 K N 0.167 120.520 120.400 -0.079 0.000 2.031 215 K HA -0.179 4.142 4.320 0.002 0.000 0.205 215 K C 2.056 178.558 176.600 -0.163 0.000 1.049 215 K CA 1.563 57.794 56.287 -0.092 0.000 0.939 215 K CB -0.140 32.318 32.500 -0.070 0.000 0.717 215 K HN 0.431 nan 8.250 nan 0.000 0.438 216 N N 1.279 119.843 118.700 -0.227 0.000 2.007 216 N HA -0.197 4.544 4.740 0.002 0.000 0.197 216 N C 1.788 176.864 175.510 -0.723 0.000 1.050 216 N CA 1.912 54.651 53.050 -0.519 0.000 0.856 216 N CB -0.838 37.302 38.487 -0.579 0.000 1.050 216 N HN 0.305 nan 8.380 nan 0.000 0.423 217 A N 0.946 123.503 122.820 -0.439 0.000 1.915 217 A HA -0.303 4.017 4.320 0.002 0.000 0.220 217 A C 2.190 179.706 177.584 -0.115 0.000 1.198 217 A CA 2.089 54.060 52.037 -0.110 0.000 0.647 217 A CB -0.999 18.092 19.000 0.152 0.000 0.825 217 A HN 0.451 nan 8.150 nan 0.000 0.456 218 Q N -0.838 118.900 119.800 -0.104 0.000 2.045 218 Q HA -0.196 4.145 4.340 0.002 0.000 0.206 218 Q C 2.156 178.102 176.000 -0.091 0.000 0.991 218 Q CA 1.815 57.576 55.803 -0.070 0.000 0.851 218 Q CB -0.329 28.374 28.738 -0.059 0.000 0.911 218 Q HN 0.719 nan 8.270 nan 0.000 0.418 219 L N -0.072 121.061 121.223 -0.149 0.000 2.021 219 L HA -0.229 4.112 4.340 0.002 0.000 0.215 219 L C 1.838 178.644 176.870 -0.107 0.000 1.074 219 L CA 1.128 55.888 54.840 -0.132 0.000 0.760 219 L CB -0.471 41.484 42.059 -0.173 0.000 0.889 219 L HN 0.195 nan 8.230 nan 0.000 0.433 220 A N -0.086 122.634 122.820 -0.167 0.000 2.324 220 A HA 0.319 4.640 4.320 0.002 0.000 0.240 220 A C 1.664 179.267 177.584 0.032 0.000 1.347 220 A CA 0.612 52.624 52.037 -0.042 0.000 1.036 220 A CB -1.279 17.721 19.000 -0.001 0.000 0.917 220 A HN 0.609 nan 8.150 nan 0.000 0.519 221 G N -1.443 107.361 108.800 0.008 0.000 2.205 221 G HA2 -0.076 3.885 3.960 0.002 0.000 0.269 221 G HA3 -0.076 3.885 3.960 0.002 0.000 0.269 221 G C 0.708 175.629 174.900 0.034 0.000 0.977 221 G CA 0.682 45.796 45.100 0.023 0.000 0.652 221 G HN 1.779 nan 8.290 nan 0.000 0.539 222 A N -0.452 122.395 122.820 0.046 0.000 2.475 222 A HA 0.539 4.860 4.320 0.002 0.000 0.239 222 A C 1.395 178.998 177.584 0.032 0.000 1.087 222 A CA 1.616 53.686 52.037 0.055 0.000 0.779 222 A CB 0.307 19.357 19.000 0.085 0.000 1.036 222 A HN 1.675 nan 8.150 nan 0.000 0.506 223 K N -0.265 120.152 120.400 0.029 0.000 2.447 223 K HA 0.531 4.852 4.320 0.002 0.000 0.205 223 K C 0.363 176.971 176.600 0.014 0.000 1.059 223 K CA 0.462 56.760 56.287 0.017 0.000 1.065 223 K CB -0.184 32.323 32.500 0.011 0.000 0.885 223 K HN 2.322 nan 8.250 nan 0.000 0.545 224 G N -0.345 108.469 108.800 0.023 0.000 2.579 224 G HA2 0.499 4.460 3.960 0.002 0.000 0.292 224 G HA3 0.499 4.460 3.960 0.002 0.000 0.292 224 G C -1.879 173.043 174.900 0.036 0.000 1.484 224 G CA -0.303 44.810 45.100 0.023 0.000 0.813 224 G HN 0.360 nan 8.290 nan 0.000 0.515 225 V N 0.577 120.513 119.914 0.037 0.000 2.808 225 V HA 0.599 4.720 4.120 0.002 0.000 0.308 225 V C -0.657 175.462 176.094 0.041 0.000 1.099 225 V CA -0.584 61.738 62.300 0.038 0.000 0.920 225 V CB 1.887 33.723 31.823 0.022 0.000 1.014 225 V HN 0.724 nan 8.190 nan 0.000 0.425 226 I N 4.956 125.555 120.570 0.047 0.000 2.418 226 I HA 0.501 4.672 4.170 0.002 0.000 0.287 226 I C -0.695 175.421 176.117 -0.001 0.000 1.008 226 I CA -0.392 60.944 61.300 0.061 0.000 1.104 226 I CB 1.740 39.809 38.000 0.115 0.000 1.264 226 I HN 0.367 nan 8.210 nan 0.000 0.438 227 L N 6.939 128.085 121.223 -0.128 0.000 2.343 227 L HA 0.540 4.881 4.340 0.002 0.000 0.275 227 L C -0.613 176.107 176.870 -0.249 0.000 1.056 227 L CA -0.610 54.008 54.840 -0.370 0.000 0.804 227 L CB 0.874 42.417 42.059 -0.859 0.000 1.203 227 L HN 0.531 nan 8.230 nan 0.000 0.440 228 Y N -0.765 119.352 120.300 -0.306 0.000 2.644 228 Y HA 0.742 5.293 4.550 0.002 0.000 0.338 228 Y C -0.964 174.950 175.900 0.023 0.000 1.119 228 Y CA -1.236 56.798 58.100 -0.111 0.000 1.060 228 Y CB 1.485 39.967 38.460 0.035 0.000 1.294 228 Y HN 0.391 nan 8.280 nan 0.000 0.472 229 S N 2.331 118.166 115.700 0.224 0.000 2.433 229 S HA 0.215 4.686 4.470 0.002 0.000 0.310 229 S C -1.373 173.565 174.600 0.564 0.000 1.097 229 S CA -0.747 57.579 58.200 0.209 0.000 1.103 229 S CB 0.809 63.957 63.200 -0.087 0.000 0.992 229 S HN 0.676 nan 8.310 nan 0.000 0.469 230 D N 2.833 123.530 120.400 0.496 0.000 2.198 230 D HA 0.286 4.927 4.640 0.002 0.000 0.245 230 D C -1.793 174.798 176.300 0.485 0.000 1.079 230 D CA -2.279 52.093 54.000 0.621 0.000 0.854 230 D CB 1.760 42.844 40.800 0.475 0.000 1.148 230 D HN 0.077 nan 8.370 nan 0.000 0.456 231 P HA -0.171 nan 4.420 nan 0.000 0.218 231 P C 1.078 178.495 177.300 0.196 0.000 1.146 231 P CA 1.481 64.660 63.100 0.131 0.000 0.820 231 P CB 0.096 31.601 31.700 -0.324 0.000 0.778 232 A N 0.315 123.227 122.820 0.154 0.000 1.954 232 A HA -0.277 4.044 4.320 0.002 0.000 0.222 232 A C 1.898 179.542 177.584 0.101 0.000 1.199 232 A CA 2.533 54.638 52.037 0.113 0.000 0.657 232 A CB -1.212 17.840 19.000 0.087 0.000 0.823 232 A HN 0.228 nan 8.150 nan 0.000 0.463 233 D N -3.487 116.980 120.400 0.112 0.000 2.423 233 D HA 0.111 4.752 4.640 0.002 0.000 0.212 233 D C 0.291 176.373 176.300 -0.365 0.000 1.060 233 D CA 0.503 54.416 54.000 -0.144 0.000 0.872 233 D CB 0.086 40.737 40.800 -0.248 0.000 1.012 233 D HN 0.632 nan 8.370 nan 0.000 0.503 234 Y N -0.557 119.881 120.300 0.231 0.000 2.660 234 Y HA 0.272 4.823 4.550 0.002 0.000 0.254 234 Y C -0.195 175.848 175.900 0.239 0.000 1.176 234 Y CA -0.480 57.764 58.100 0.239 0.000 1.195 234 Y CB 0.427 39.052 38.460 0.275 0.000 1.190 234 Y HN -0.206 nan 8.280 nan 0.000 0.535 235 F N 1.447 121.484 119.950 0.145 0.000 2.451 235 F HA 0.687 5.215 4.527 0.001 0.000 0.367 235 F C 0.296 176.081 175.800 -0.025 0.000 1.100 235 F CA -1.447 56.588 58.000 0.058 0.000 1.171 235 F CB 0.255 39.261 39.000 0.010 0.000 1.405 235 F HN -0.030 nan 8.300 nan 0.000 0.482 236 A N 6.341 129.031 122.820 -0.216 0.000 2.522 236 A HA 0.325 4.646 4.320 0.002 0.000 0.256 236 A C -2.379 175.143 177.584 -0.103 0.000 1.086 236 A CA -1.079 50.868 52.037 -0.151 0.000 0.763 236 A CB -0.602 18.215 19.000 -0.305 0.000 1.024 236 A HN 0.463 nan 8.150 nan 0.000 0.502 237 P HA 0.158 nan 4.420 nan 0.000 0.263 237 P C 1.239 178.531 177.300 -0.013 0.000 1.175 237 P CA 1.934 65.079 63.100 0.075 0.000 0.761 237 P CB 0.570 32.295 31.700 0.042 0.000 0.794 238 G N 1.202 110.012 108.800 0.016 0.000 2.245 238 G HA2 -0.256 3.705 3.960 0.002 0.000 0.264 238 G HA3 -0.256 3.705 3.960 0.002 0.000 0.264 238 G C 0.230 175.053 174.900 -0.129 0.000 0.985 238 G CA 0.209 45.287 45.100 -0.037 0.000 0.625 238 G HN 0.698 nan 8.290 nan 0.000 0.536 239 V N 0.684 120.427 119.914 -0.286 0.000 2.644 239 V HA 0.815 4.936 4.120 0.002 0.000 0.295 239 V C 0.611 176.434 176.094 -0.451 0.000 1.053 239 V CA 0.672 62.649 62.300 -0.538 0.000 0.987 239 V CB 1.185 32.309 31.823 -1.165 0.000 1.006 239 V HN 1.120 nan 8.190 nan 0.000 0.472 240 K N 3.474 123.634 120.400 -0.400 0.000 2.098 240 K HA 0.672 4.993 4.320 0.002 0.000 0.261 240 K C 0.351 176.795 176.600 -0.261 0.000 0.987 240 K CA 0.017 56.187 56.287 -0.195 0.000 0.916 240 K CB 0.928 33.362 32.500 -0.110 0.000 1.039 240 K HN 0.960 nan 8.250 nan 0.000 0.455 241 S N 0.363 116.037 115.700 -0.044 0.000 2.559 241 S HA 0.113 4.584 4.470 0.002 0.000 0.282 241 S C 0.121 174.684 174.600 -0.062 0.000 1.336 241 S CA -0.189 57.989 58.200 -0.037 0.000 1.037 241 S CB -0.167 63.086 63.200 0.087 0.000 0.853 241 S HN 0.508 nan 8.310 nan 0.000 0.523 242 Y N 4.036 124.243 120.300 -0.155 0.000 2.683 242 Y HA 0.119 4.670 4.550 0.001 0.000 0.340 242 Y C -1.385 174.456 175.900 -0.100 0.000 1.245 242 Y CA -1.348 56.704 58.100 -0.081 0.000 1.485 242 Y CB 0.441 38.832 38.460 -0.114 0.000 1.328 242 Y HN 0.450 nan 8.280 nan 0.000 0.603 243 P HA -0.008 nan 4.420 nan 0.000 0.249 243 P C -0.145 176.982 177.300 -0.288 0.000 1.241 243 P CA 1.010 63.543 63.100 -0.946 0.000 0.781 243 P CB 0.452 31.837 31.700 -0.525 0.000 1.088 244 D N -1.027 119.313 120.400 -0.099 0.000 2.422 244 D HA 0.115 4.756 4.640 0.002 0.000 0.218 244 D C 1.389 177.637 176.300 -0.086 0.000 1.047 244 D CA 0.677 54.705 54.000 0.046 0.000 0.885 244 D CB 0.625 41.427 40.800 0.004 0.000 1.035 244 D HN 0.163 nan 8.370 nan 0.000 0.502 245 G N -0.122 108.448 108.800 -0.383 0.000 3.212 245 G HA2 0.331 4.292 3.960 0.002 0.000 0.188 245 G HA3 0.331 4.292 3.960 0.002 0.000 0.188 245 G C -0.378 174.038 174.900 -0.806 0.000 1.254 245 G CA -0.510 44.052 45.100 -0.897 0.000 0.957 245 G HN 0.175 nan 8.290 nan 0.000 0.596 246 W N 0.023 120.985 121.300 -0.562 0.000 2.702 246 W HA 0.422 5.083 4.660 0.001 0.000 0.369 246 W C -0.344 176.120 176.519 -0.092 0.000 0.987 246 W CA -0.856 56.388 57.345 -0.169 0.000 1.702 246 W CB -0.407 29.025 29.460 -0.047 0.000 1.138 246 W HN 0.073 nan 8.180 nan 0.000 0.552 247 N N 2.335 120.798 118.700 -0.395 0.000 2.508 247 N HA 0.087 4.828 4.740 0.002 0.000 0.264 247 N C -0.494 174.962 175.510 -0.091 0.000 1.216 247 N CA -0.203 52.567 53.050 -0.467 0.000 0.943 247 N CB 1.876 39.529 38.487 -1.390 0.000 1.113 247 N HN 0.013 nan 8.380 nan 0.000 0.447 248 L N 4.265 125.541 121.223 0.087 0.000 2.418 248 L HA 0.288 4.629 4.340 0.002 0.000 0.274 248 L C -2.212 174.786 176.870 0.213 0.000 1.135 248 L CA -0.935 54.019 54.840 0.189 0.000 0.870 248 L CB 0.279 42.503 42.059 0.275 0.000 1.154 248 L HN 0.404 nan 8.230 nan 0.000 0.462 249 P HA 0.119 nan 4.420 nan 0.000 0.269 249 P C 0.492 177.514 177.300 -0.464 0.000 1.217 249 P CA 0.035 63.093 63.100 -0.071 0.000 0.783 249 P CB 0.522 32.120 31.700 -0.171 0.000 0.898 250 G N 0.852 109.103 108.800 -0.916 0.000 2.744 250 G HA2 -0.058 3.903 3.960 0.002 0.000 0.211 250 G HA3 -0.058 3.903 3.960 0.002 0.000 0.211 250 G C 1.475 175.688 174.900 -1.144 0.000 1.143 250 G CA 0.598 44.542 45.100 -1.927 0.000 0.788 250 G HN 0.625 nan 8.290 nan 0.000 0.534 251 G N 0.372 108.832 108.800 -0.567 0.000 2.430 251 G HA2 0.310 4.271 3.960 0.002 0.000 0.216 251 G HA3 0.310 4.271 3.960 0.002 0.000 0.216 251 G C 0.953 175.806 174.900 -0.078 0.000 1.146 251 G CA 0.605 45.603 45.100 -0.169 0.000 0.793 251 G HN 0.591 nan 8.290 nan 0.000 0.537 252 G N -0.988 107.810 108.800 -0.004 0.000 2.537 252 G HA2 0.463 4.424 3.960 0.002 0.000 0.273 252 G HA3 0.463 4.424 3.960 0.002 0.000 0.273 252 G C -1.362 173.504 174.900 -0.058 0.000 1.189 252 G CA -0.225 44.916 45.100 0.068 0.000 0.881 252 G HN 0.351 nan 8.290 nan 0.000 0.535 253 V N 0.672 120.540 119.914 -0.076 0.000 2.655 253 V HA 0.237 4.358 4.120 0.002 0.000 0.301 253 V C -0.162 175.842 176.094 -0.150 0.000 1.082 253 V CA -0.789 61.458 62.300 -0.089 0.000 0.899 253 V CB 1.607 33.374 31.823 -0.094 0.000 1.014 253 V HN 0.894 nan 8.190 nan 0.000 0.429 254 Q N 4.927 124.647 119.800 -0.135 0.000 2.300 254 Q HA 0.274 4.615 4.340 0.002 0.000 0.262 254 Q C 0.210 175.982 176.000 -0.379 0.000 1.109 254 Q CA -0.154 55.446 55.803 -0.338 0.000 0.905 254 Q CB 0.495 28.840 28.738 -0.654 0.000 1.280 254 Q HN 0.616 nan 8.270 nan 0.000 0.426 255 R N 1.861 122.017 120.500 -0.572 0.000 2.774 255 R HA 0.585 4.926 4.340 0.002 0.000 0.269 255 R C -0.015 175.641 176.300 -1.073 0.000 1.068 255 R CA 0.766 56.270 56.100 -0.993 0.000 1.180 255 R CB 0.886 30.295 30.300 -1.485 0.000 1.077 255 R HN 0.880 nan 8.270 nan 0.000 0.513 256 G N 0.421 108.456 108.800 -1.275 0.000 2.358 256 G HA2 0.026 3.987 3.960 0.002 0.000 0.303 256 G HA3 0.026 3.987 3.960 0.002 0.000 0.303 256 G C -1.833 172.869 174.900 -0.330 0.000 1.537 256 G CA -0.945 43.817 45.100 -0.563 0.000 0.928 256 G HN 0.712 nan 8.290 nan 0.000 0.656 257 N N -1.506 117.210 118.700 0.027 0.000 2.482 257 N HA 0.690 5.431 4.740 0.002 0.000 0.279 257 N C 0.757 176.310 175.510 0.072 0.000 1.182 257 N CA -0.494 52.619 53.050 0.105 0.000 0.969 257 N CB 1.321 39.980 38.487 0.287 0.000 1.201 257 N HN 0.874 nan 8.380 nan 0.000 0.523 258 I N -1.399 119.238 120.570 0.110 0.000 3.994 258 I HA 0.351 4.522 4.170 0.002 0.000 0.323 258 I C -0.550 175.591 176.117 0.039 0.000 1.501 258 I CA -0.536 60.750 61.300 -0.023 0.000 1.112 258 I CB -0.002 37.968 38.000 -0.051 0.000 1.254 258 I HN 0.271 nan 8.210 nan 0.000 0.495 259 L N 1.807 123.088 121.223 0.098 0.000 2.452 259 L HA 0.268 4.609 4.340 0.002 0.000 0.267 259 L C 0.359 177.270 176.870 0.068 0.000 1.188 259 L CA 0.161 54.994 54.840 -0.012 0.000 0.821 259 L CB 0.365 42.306 42.059 -0.197 0.000 1.102 259 L HN 0.328 nan 8.230 nan 0.000 0.470 260 N N 3.227 121.925 118.700 -0.003 0.000 3.044 260 N HA 0.209 4.949 4.740 0.002 0.000 0.254 260 N C 0.599 176.068 175.510 -0.068 0.000 1.253 260 N CA -0.096 52.958 53.050 0.006 0.000 0.944 260 N CB 1.076 39.563 38.487 -0.001 0.000 1.217 260 N HN 0.541 nan 8.380 nan 0.000 0.498 261 L N 0.542 121.703 121.223 -0.104 0.000 2.341 261 L HA 0.061 4.402 4.340 0.002 0.000 0.214 261 L C 0.526 177.288 176.870 -0.180 0.000 1.115 261 L CA 0.144 54.891 54.840 -0.155 0.000 0.820 261 L CB -0.151 41.795 42.059 -0.189 0.000 0.944 261 L HN 0.367 nan 8.230 nan 0.000 0.452 262 N N 0.479 119.069 118.700 -0.185 0.000 2.714 262 N HA -0.210 4.531 4.740 0.002 0.000 0.250 262 N C 0.862 175.957 175.510 -0.693 0.000 1.117 262 N CA 1.056 53.916 53.050 -0.316 0.000 0.719 262 N CB -1.162 37.165 38.487 -0.267 0.000 1.081 262 N HN 0.610 nan 8.380 nan 0.000 0.557 263 G N -2.679 105.866 108.800 -0.425 0.000 2.184 263 G HA2 -0.163 3.798 3.960 0.002 0.000 0.206 263 G HA3 -0.163 3.798 3.960 0.002 0.000 0.206 263 G C 0.879 175.532 174.900 -0.411 0.000 0.995 263 G CA 0.755 45.620 45.100 -0.393 0.000 0.651 263 G HN 0.985 nan 8.290 nan 0.000 0.511 264 A N 0.051 122.631 122.820 -0.400 0.000 2.123 264 A HA 0.584 4.905 4.320 0.002 0.000 0.214 264 A C 2.478 179.737 177.584 -0.542 0.000 1.152 264 A CA 2.047 53.702 52.037 -0.637 0.000 0.728 264 A CB -0.475 18.315 19.000 -0.349 0.000 0.814 264 A HN 2.612 nan 8.150 nan 0.000 0.464 265 G N 0.029 108.596 108.800 -0.388 0.000 2.542 265 G HA2 -0.210 3.751 3.960 0.002 0.000 0.235 265 G HA3 -0.210 3.751 3.960 0.002 0.000 0.235 265 G C -0.235 174.512 174.900 -0.255 0.000 1.286 265 G CA 0.121 45.025 45.100 -0.326 0.000 0.904 265 G HN 1.044 nan 8.290 nan 0.000 0.577 266 D N 1.873 122.142 120.400 -0.218 0.000 2.581 266 D HA 0.230 4.870 4.640 0.002 0.000 0.238 266 D C -0.027 176.174 176.300 -0.164 0.000 1.145 266 D CA -0.102 53.806 54.000 -0.154 0.000 0.866 266 D CB 0.763 41.486 40.800 -0.129 0.000 1.151 266 D HN 0.196 nan 8.370 nan 0.000 0.500 267 P HA -0.144 nan 4.420 nan 0.000 0.223 267 P C 1.143 178.381 177.300 -0.103 0.000 1.144 267 P CA 0.991 63.998 63.100 -0.155 0.000 0.783 267 P CB 0.142 31.725 31.700 -0.195 0.000 0.771 268 L N -1.088 120.083 121.223 -0.086 0.000 2.513 268 L HA 0.103 4.444 4.340 0.002 0.000 0.222 268 L C 0.969 177.804 176.870 -0.058 0.000 1.096 268 L CA 0.986 55.784 54.840 -0.070 0.000 0.857 268 L CB -0.375 41.644 42.059 -0.068 0.000 1.026 268 L HN 0.034 nan 8.230 nan 0.000 0.469 269 T N -2.767 111.749 114.554 -0.063 0.000 3.630 269 T HA 0.349 4.700 4.350 0.002 0.000 0.238 269 T C -2.765 171.897 174.700 -0.064 0.000 1.195 269 T CA -1.713 60.373 62.100 -0.023 0.000 1.433 269 T CB 0.346 69.197 68.868 -0.029 0.000 0.940 269 T HN -0.233 nan 8.240 nan 0.000 0.641 270 P HA 0.402 nan 4.420 nan 0.000 0.266 270 P C 1.273 178.484 177.300 -0.147 0.000 1.215 270 P CA 1.076 64.066 63.100 -0.182 0.000 0.763 270 P CB 0.596 32.300 31.700 0.006 0.000 0.806 271 G N 2.067 110.603 108.800 -0.439 0.000 2.313 271 G HA2 -0.203 3.758 3.960 0.002 0.000 0.215 271 G HA3 -0.203 3.758 3.960 0.002 0.000 0.215 271 G C -0.458 173.874 174.900 -0.945 0.000 1.023 271 G CA -0.382 44.359 45.100 -0.598 0.000 0.626 271 G HN 0.471 nan 8.290 nan 0.000 0.503 272 Y N 1.003 121.235 120.300 -0.113 0.000 2.602 272 Y HA 0.651 5.202 4.550 0.001 0.000 0.342 272 Y C -2.326 173.488 175.900 -0.144 0.000 1.029 272 Y CA -2.615 55.426 58.100 -0.099 0.000 1.080 272 Y CB 1.465 39.899 38.460 -0.044 0.000 1.284 272 Y HN -0.041 nan 8.280 nan 0.000 0.485 273 P HA 0.147 nan 4.420 nan 0.000 0.271 273 P C -0.785 176.498 177.300 -0.027 0.000 1.218 273 P CA -0.258 62.810 63.100 -0.053 0.000 0.780 273 P CB 0.660 32.375 31.700 0.024 0.000 0.901 274 A N 2.157 124.974 122.820 -0.005 0.000 3.168 274 A HA 0.205 4.526 4.320 0.002 0.000 0.260 274 A C 0.549 178.176 177.584 0.071 0.000 1.598 274 A CA -0.373 51.672 52.037 0.013 0.000 1.285 274 A CB -1.608 17.390 19.000 -0.002 0.000 1.149 274 A HN 0.633 nan 8.150 nan 0.000 0.630 275 N N -0.463 118.202 118.700 -0.059 0.000 2.374 275 N HA 0.113 4.854 4.740 0.002 0.000 0.284 275 N C 0.737 176.134 175.510 -0.189 0.000 1.280 275 N CA -0.332 52.628 53.050 -0.150 0.000 0.963 275 N CB 0.278 38.601 38.487 -0.274 0.000 1.141 275 N HN 0.235 nan 8.380 nan 0.000 0.565 276 E N -0.523 119.612 120.200 -0.110 0.000 2.097 276 E HA -0.254 4.097 4.350 0.002 0.000 0.196 276 E C 1.355 177.972 176.600 0.028 0.000 1.000 276 E CA 1.837 58.249 56.400 0.020 0.000 0.804 276 E CB -0.665 29.126 29.700 0.152 0.000 0.740 276 E HN 0.869 nan 8.360 nan 0.000 0.454 277 Y N -0.303 120.024 120.300 0.045 0.000 2.457 277 Y HA 0.616 5.167 4.550 0.002 0.000 0.263 277 Y C 0.876 176.810 175.900 0.058 0.000 1.164 277 Y CA -0.320 57.806 58.100 0.044 0.000 1.274 277 Y CB -0.198 38.281 38.460 0.032 0.000 1.097 277 Y HN -0.143 nan 8.280 nan 0.000 0.523 278 A N 1.424 124.089 122.820 -0.259 0.000 2.548 278 A HA -0.016 4.305 4.320 0.002 0.000 0.247 278 A C -0.649 176.956 177.584 0.036 0.000 1.067 278 A CA -0.246 51.707 52.037 -0.140 0.000 0.757 278 A CB -0.722 18.181 19.000 -0.161 0.000 0.996 278 A HN 0.539 nan 8.150 nan 0.000 0.504 279 Y N 3.237 123.513 120.300 -0.039 0.000 2.425 279 Y HA 0.362 4.913 4.550 0.002 0.000 0.331 279 Y C 0.709 176.596 175.900 -0.022 0.000 1.157 279 Y CA 0.331 58.418 58.100 -0.021 0.000 1.372 279 Y CB 0.489 38.932 38.460 -0.028 0.000 1.253 279 Y HN 0.684 nan 8.280 nan 0.000 0.536 280 R N 5.709 125.877 120.500 -0.554 0.000 2.637 280 R HA 0.509 4.850 4.340 0.002 0.000 0.291 280 R C -0.439 175.558 176.300 -0.504 0.000 0.963 280 R CA -1.140 54.734 56.100 -0.377 0.000 0.901 280 R CB 1.930 32.101 30.300 -0.215 0.000 1.160 280 R HN 0.690 nan 8.270 nan 0.000 0.457 281 R N 0.226 120.574 120.500 -0.253 0.000 2.707 281 R HA 0.157 4.498 4.340 0.002 0.000 0.270 281 R C 0.653 176.872 176.300 -0.134 0.000 1.083 281 R CA -0.091 55.909 56.100 -0.166 0.000 1.182 281 R CB 0.383 30.646 30.300 -0.061 0.000 1.084 281 R HN 0.765 nan 8.270 nan 0.000 0.528 282 G N 0.089 108.840 108.800 -0.081 0.000 2.380 282 G HA2 0.070 4.031 3.960 0.002 0.000 0.242 282 G HA3 0.070 4.031 3.960 0.002 0.000 0.242 282 G C 1.258 176.138 174.900 -0.033 0.000 1.298 282 G CA -0.590 44.480 45.100 -0.050 0.000 0.878 282 G HN 0.405 nan 8.290 nan 0.000 0.542 283 I N 2.507 123.064 120.570 -0.022 0.000 2.181 283 I HA -0.345 3.826 4.170 0.002 0.000 0.247 283 I C 3.324 179.440 176.117 -0.000 0.000 1.081 283 I CA 1.934 63.233 61.300 -0.002 0.000 1.340 283 I CB -1.459 36.552 38.000 0.019 0.000 1.036 283 I HN 0.824 nan 8.210 nan 0.000 0.417 284 A N -0.145 122.675 122.820 0.000 0.000 1.986 284 A HA -0.250 4.071 4.320 0.002 0.000 0.220 284 A C 1.817 179.399 177.584 -0.003 0.000 1.171 284 A CA 2.122 54.160 52.037 0.002 0.000 0.640 284 A CB -0.532 18.470 19.000 0.004 0.000 0.811 284 A HN 0.681 nan 8.150 nan 0.000 0.451 285 E N -0.042 120.153 120.200 -0.008 0.000 2.437 285 E HA 0.519 4.870 4.350 0.002 0.000 0.195 285 E C 0.418 177.007 176.600 -0.018 0.000 1.029 285 E CA 0.356 56.751 56.400 -0.008 0.000 0.948 285 E CB -0.162 29.539 29.700 0.001 0.000 1.082 285 E HN 0.558 nan 8.360 nan 0.000 0.456 286 A N 0.562 123.367 122.820 -0.026 0.000 2.555 286 A HA 0.112 4.433 4.320 0.002 0.000 0.233 286 A C 0.339 177.888 177.584 -0.057 0.000 1.060 286 A CA -0.240 51.770 52.037 -0.044 0.000 0.759 286 A CB 0.388 19.361 19.000 -0.044 0.000 0.995 286 A HN 0.135 nan 8.150 nan 0.000 0.506 287 V N 2.247 122.115 119.914 -0.077 0.000 2.427 287 V HA 0.484 4.605 4.120 0.002 0.000 0.268 287 V C 1.317 177.341 176.094 -0.117 0.000 1.046 287 V CA 1.287 63.539 62.300 -0.080 0.000 0.970 287 V CB 0.092 31.872 31.823 -0.072 0.000 1.001 287 V HN 1.966 nan 8.190 nan 0.000 0.476 288 G N 4.876 113.619 108.800 -0.094 0.000 2.171 288 G HA2 -0.189 3.772 3.960 0.002 0.000 0.238 288 G HA3 -0.189 3.772 3.960 0.002 0.000 0.238 288 G C -0.135 174.700 174.900 -0.108 0.000 1.039 288 G CA -0.298 44.743 45.100 -0.099 0.000 0.759 288 G HN 0.554 nan 8.290 nan 0.000 0.501 289 L N 1.514 122.688 121.223 -0.082 0.000 2.305 289 L HA 0.381 4.722 4.340 0.002 0.000 0.281 289 L C -0.907 175.954 176.870 -0.016 0.000 1.085 289 L CA -1.700 53.111 54.840 -0.049 0.000 0.813 289 L CB 0.864 42.915 42.059 -0.013 0.000 1.157 289 L HN 0.093 nan 8.230 nan 0.000 0.436 290 P HA 0.121 nan 4.420 nan 0.000 0.274 290 P C -0.139 177.173 177.300 0.020 0.000 1.246 290 P CA -0.426 62.680 63.100 0.010 0.000 0.795 290 P CB 1.118 32.832 31.700 0.023 0.000 1.006 291 S N -0.547 115.160 115.700 0.012 0.000 2.559 291 S HA 0.249 4.720 4.470 0.002 0.000 0.226 291 S C 0.858 175.469 174.600 0.017 0.000 1.000 291 S CA -0.465 57.745 58.200 0.017 0.000 0.948 291 S CB -0.635 62.570 63.200 0.009 0.000 0.870 291 S HN 0.556 nan 8.310 nan 0.000 0.497 292 I N -0.707 119.873 120.570 0.017 0.000 2.474 292 I HA 0.666 4.837 4.170 0.002 0.000 0.294 292 I C -3.131 173.002 176.117 0.026 0.000 1.005 292 I CA -3.002 58.308 61.300 0.017 0.000 1.113 292 I CB 2.178 40.186 38.000 0.012 0.000 1.289 292 I HN -0.253 nan 8.210 nan 0.000 0.436 293 P HA 0.226 nan 4.420 nan 0.000 0.271 293 P C -0.756 176.568 177.300 0.040 0.000 1.218 293 P CA -0.131 62.989 63.100 0.034 0.000 0.780 293 P CB 1.735 33.441 31.700 0.009 0.000 0.901 294 V N 2.400 122.351 119.914 0.061 0.000 3.007 294 V HA 0.528 4.649 4.120 0.002 0.000 0.311 294 V C -0.747 175.418 176.094 0.119 0.000 1.120 294 V CA -0.417 61.917 62.300 0.057 0.000 0.980 294 V CB 2.060 33.892 31.823 0.016 0.000 1.033 294 V HN 0.803 nan 8.190 nan 0.000 0.429 295 H N 3.500 122.560 119.070 -0.018 0.000 3.112 295 H HA 0.639 5.196 4.556 0.002 0.000 0.347 295 H C -3.165 172.146 175.328 -0.028 0.000 1.188 295 H CA -0.917 55.127 56.048 -0.008 0.000 1.240 295 H CB 3.318 33.089 29.762 0.015 0.000 1.920 295 H HN 0.505 nan 8.280 nan 0.000 0.535 296 P HA 0.399 nan 4.420 nan 0.000 0.298 296 P C -1.111 176.116 177.300 -0.121 0.000 1.334 296 P CA -0.743 62.210 63.100 -0.245 0.000 0.942 296 P CB 2.062 33.645 31.700 -0.194 0.000 1.162 297 I N -1.711 118.870 120.570 0.018 0.000 2.969 297 I HA 0.792 4.963 4.170 0.002 0.000 0.307 297 I C 0.120 176.288 176.117 0.085 0.000 1.149 297 I CA -1.301 60.046 61.300 0.078 0.000 1.008 297 I CB 2.154 40.243 38.000 0.149 0.000 1.232 297 I HN 0.325 nan 8.210 nan 0.000 0.435 298 G N 1.726 110.533 108.800 0.012 0.000 2.651 298 G HA2 0.158 4.119 3.960 0.002 0.000 0.260 298 G HA3 0.158 4.119 3.960 0.002 0.000 0.260 298 G C 0.130 175.015 174.900 -0.025 0.000 1.216 298 G CA -0.230 44.809 45.100 -0.103 0.000 0.913 298 G HN 0.889 nan 8.290 nan 0.000 0.535 299 Y N -2.194 118.148 120.300 0.070 0.000 2.516 299 Y HA 0.061 4.612 4.550 0.002 0.000 0.291 299 Y C 2.173 178.142 175.900 0.116 0.000 1.131 299 Y CA 0.097 58.251 58.100 0.090 0.000 1.281 299 Y CB -0.441 38.111 38.460 0.153 0.000 1.013 299 Y HN 0.346 nan 8.280 nan 0.000 0.554 300 Y N 1.851 122.233 120.300 0.136 0.000 2.036 300 Y HA -0.233 4.318 4.550 0.001 0.000 0.273 300 Y C 2.095 178.033 175.900 0.063 0.000 1.135 300 Y CA 1.054 59.215 58.100 0.101 0.000 1.106 300 Y CB -1.230 37.269 38.460 0.064 0.000 0.976 300 Y HN 0.193 nan 8.280 nan 0.000 0.483 301 D N -0.245 120.321 120.400 0.277 0.000 2.149 301 D HA -0.171 4.470 4.640 0.002 0.000 0.198 301 D C 2.243 178.602 176.300 0.100 0.000 0.990 301 D CA 1.388 55.572 54.000 0.307 0.000 0.839 301 D CB -0.728 40.280 40.800 0.346 0.000 0.948 301 D HN 0.298 nan 8.370 nan 0.000 0.460 302 A N 0.970 123.806 122.820 0.027 0.000 1.852 302 A HA -0.367 3.954 4.320 0.002 0.000 0.217 302 A C 2.171 179.609 177.584 -0.243 0.000 1.215 302 A CA 2.646 54.561 52.037 -0.202 0.000 0.641 302 A CB -1.212 17.488 19.000 -0.500 0.000 0.838 302 A HN 0.288 nan 8.150 nan 0.000 0.450 303 Q N -0.722 118.966 119.800 -0.186 0.000 2.165 303 Q HA -0.291 4.050 4.340 0.002 0.000 0.215 303 Q C 2.138 177.974 176.000 -0.273 0.000 1.010 303 Q CA 3.246 58.923 55.803 -0.210 0.000 0.896 303 Q CB -0.252 28.426 28.738 -0.100 0.000 0.956 303 Q HN 0.478 nan 8.270 nan 0.000 0.413 304 K N -1.313 118.899 120.400 -0.313 0.000 2.209 304 K HA -0.042 4.279 4.320 0.002 0.000 0.204 304 K C 1.986 178.306 176.600 -0.466 0.000 1.048 304 K CA 1.206 57.165 56.287 -0.546 0.000 0.940 304 K CB -0.456 31.409 32.500 -1.058 0.000 0.729 304 K HN 0.300 nan 8.250 nan 0.000 0.451 305 L N -0.110 120.954 121.223 -0.265 0.000 2.298 305 L HA 0.276 4.617 4.340 0.002 0.000 0.209 305 L C 2.315 179.153 176.870 -0.052 0.000 1.084 305 L CA 0.763 55.552 54.840 -0.085 0.000 0.816 305 L CB -1.132 40.948 42.059 0.036 0.000 0.967 305 L HN 0.329 nan 8.230 nan 0.000 0.460 306 L N 0.352 121.466 121.223 -0.182 0.000 2.093 306 L HA -0.179 4.161 4.340 0.002 0.000 0.208 306 L C 2.935 179.676 176.870 -0.214 0.000 1.085 306 L CA 1.998 56.702 54.840 -0.227 0.000 0.755 306 L CB -0.695 41.124 42.059 -0.398 0.000 0.904 306 L HN 0.578 nan 8.230 nan 0.000 0.435 307 E N 1.270 121.317 120.200 -0.255 0.000 2.130 307 E HA -0.274 4.077 4.350 0.002 0.000 0.196 307 E C 1.381 177.847 176.600 -0.224 0.000 0.998 307 E CA 1.438 57.681 56.400 -0.261 0.000 0.806 307 E CB -0.201 29.322 29.700 -0.293 0.000 0.738 307 E HN 0.426 nan 8.360 nan 0.000 0.459 308 K N 0.115 120.369 120.400 -0.243 0.000 2.546 308 K HA 0.133 4.454 4.320 0.002 0.000 0.198 308 K C 0.069 176.795 176.600 0.210 0.000 1.028 308 K CA -0.281 55.891 56.287 -0.191 0.000 1.150 308 K CB 0.142 32.189 32.500 -0.756 0.000 0.876 308 K HN 0.156 nan 8.250 nan 0.000 0.508 309 M N 1.806 121.483 119.600 0.130 0.000 2.364 309 M HA 0.034 4.515 4.480 0.002 0.000 0.342 309 M C 1.019 177.389 176.300 0.118 0.000 1.601 309 M CA 0.086 55.467 55.300 0.135 0.000 1.156 309 M CB -0.126 32.491 32.600 0.028 0.000 1.912 309 M HN 0.247 nan 8.290 nan 0.000 0.460 310 G N 2.843 111.723 108.800 0.134 0.000 2.441 310 G HA2 0.422 4.383 3.960 0.002 0.000 0.258 310 G HA3 0.422 4.383 3.960 0.002 0.000 0.258 310 G C 0.691 175.632 174.900 0.069 0.000 1.487 310 G CA -0.070 45.092 45.100 0.103 0.000 1.058 310 G HN 0.967 nan 8.290 nan 0.000 0.552 311 G N -0.874 107.960 108.800 0.056 0.000 2.596 311 G HA2 -0.197 3.764 3.960 0.002 0.000 0.334 311 G HA3 -0.197 3.764 3.960 0.002 0.000 0.334 311 G C 0.800 175.725 174.900 0.042 0.000 1.351 311 G CA 0.854 45.981 45.100 0.044 0.000 0.965 311 G HN 1.440 nan 8.290 nan 0.000 0.533 312 S N 0.008 115.729 115.700 0.034 0.000 2.606 312 S HA 0.541 5.012 4.470 0.002 0.000 0.257 312 S C 0.949 175.565 174.600 0.028 0.000 1.327 312 S CA 0.062 58.272 58.200 0.018 0.000 0.984 312 S CB 1.055 64.249 63.200 -0.011 0.000 0.941 312 S HN 1.699 nan 8.310 nan 0.000 0.576 313 A N 2.066 124.892 122.820 0.009 0.000 2.366 313 A HA 0.497 4.818 4.320 0.002 0.000 0.249 313 A C -2.337 175.251 177.584 0.007 0.000 1.084 313 A CA -1.496 50.554 52.037 0.022 0.000 0.794 313 A CB -0.715 18.290 19.000 0.008 0.000 1.034 313 A HN 0.542 nan 8.150 nan 0.000 0.491 314 P HA 0.066 nan 4.420 nan 0.000 0.265 314 P C -2.103 175.116 177.300 -0.134 0.000 1.193 314 P CA -0.848 62.280 63.100 0.047 0.000 0.765 314 P CB 0.086 31.905 31.700 0.199 0.000 0.823 315 P HA -0.075 nan 4.420 nan 0.000 0.242 315 P C -0.238 176.893 177.300 -0.282 0.000 1.197 315 P CA 1.030 63.902 63.100 -0.380 0.000 0.765 315 P CB 0.072 31.405 31.700 -0.612 0.000 0.936 316 D N -3.646 116.630 120.400 -0.207 0.000 2.995 316 D HA -0.072 4.569 4.640 0.002 0.000 0.303 316 D C 0.674 177.019 176.300 0.076 0.000 1.226 316 D CA -0.105 53.871 54.000 -0.040 0.000 0.727 316 D CB -0.486 40.293 40.800 -0.036 0.000 1.263 316 D HN -0.246 nan 8.370 nan 0.000 0.442 317 S N -0.345 115.399 115.700 0.073 0.000 2.442 317 S HA -0.183 4.288 4.470 0.002 0.000 0.236 317 S C 1.900 176.566 174.600 0.109 0.000 1.007 317 S CA 1.719 59.967 58.200 0.080 0.000 0.965 317 S CB -0.969 62.264 63.200 0.056 0.000 0.773 317 S HN 0.895 nan 8.310 nan 0.000 0.504 318 S N 0.174 115.974 115.700 0.168 0.000 2.400 318 S HA -0.105 4.366 4.470 0.002 0.000 0.232 318 S C 1.136 175.874 174.600 0.230 0.000 1.025 318 S CA 0.767 59.093 58.200 0.210 0.000 0.993 318 S CB -1.090 62.266 63.200 0.259 0.000 0.808 318 S HN 0.748 nan 8.310 nan 0.000 0.478 319 W N 2.765 124.042 121.300 -0.039 0.000 3.310 319 W HA 0.430 5.091 4.660 0.001 0.000 0.259 319 W C 1.260 177.666 176.519 -0.188 0.000 1.324 319 W CA -0.037 57.269 57.345 -0.066 0.000 1.636 319 W CB -0.917 28.558 29.460 0.026 0.000 1.104 319 W HN 0.466 nan 8.180 nan 0.000 0.722 320 R N 0.397 120.797 120.500 -0.166 0.000 2.451 320 R HA 0.711 5.052 4.340 0.002 0.000 0.307 320 R C 0.348 176.229 176.300 -0.699 0.000 0.965 320 R CA -0.067 55.628 56.100 -0.675 0.000 0.865 320 R CB 0.071 30.243 30.300 -0.213 0.000 1.174 320 R HN 0.085 nan 8.270 nan 0.000 0.455 321 G N -0.230 107.845 108.800 -1.208 0.000 2.508 321 G HA2 0.373 4.334 3.960 0.002 0.000 0.278 321 G HA3 0.373 4.334 3.960 0.002 0.000 0.278 321 G C 0.549 175.495 174.900 0.076 0.000 1.389 321 G CA 0.327 45.272 45.100 -0.258 0.000 1.050 321 G HN 0.702 nan 8.290 nan 0.000 0.522 322 S N -0.296 115.495 115.700 0.152 0.000 2.679 322 S HA 0.199 4.670 4.470 0.002 0.000 0.233 322 S C 0.131 174.793 174.600 0.102 0.000 0.951 322 S CA -0.430 57.836 58.200 0.109 0.000 0.973 322 S CB -0.183 63.017 63.200 -0.001 0.000 0.778 322 S HN 0.155 nan 8.310 nan 0.000 0.477 323 L N 2.699 124.062 121.223 0.234 0.000 2.380 323 L HA 0.185 4.526 4.340 0.002 0.000 0.273 323 L C 0.490 177.319 176.870 -0.068 0.000 1.138 323 L CA -0.057 54.784 54.840 0.002 0.000 0.832 323 L CB 0.249 42.248 42.059 -0.100 0.000 1.124 323 L HN -0.110 nan 8.230 nan 0.000 0.454 324 K N 3.377 123.716 120.400 -0.102 0.000 2.054 324 K HA 0.436 4.757 4.320 0.002 0.000 0.242 324 K C -0.211 176.278 176.600 -0.184 0.000 1.157 324 K CA -0.258 55.967 56.287 -0.103 0.000 1.079 324 K CB -1.186 31.264 32.500 -0.083 0.000 1.331 324 K HN 0.512 nan 8.250 nan 0.000 0.317 325 V N -1.866 117.884 119.914 -0.273 0.000 3.253 325 V HA 0.496 4.616 4.120 0.002 0.000 0.300 325 V C -2.490 173.429 176.094 -0.292 0.000 1.398 325 V CA -2.009 60.086 62.300 -0.341 0.000 1.067 325 V CB 1.878 33.373 31.823 -0.547 0.000 1.102 325 V HN 0.268 nan 8.190 nan 0.000 0.455 326 P HA 0.134 nan 4.420 nan 0.000 0.229 326 P C -0.083 177.239 177.300 0.037 0.000 1.160 326 P CA 0.594 63.663 63.100 -0.052 0.000 0.777 326 P CB -0.315 31.366 31.700 -0.031 0.000 0.814 327 Y N -1.252 118.991 120.300 -0.096 0.000 3.225 327 Y HA -0.216 4.335 4.550 0.002 0.000 0.211 327 Y C -0.051 175.834 175.900 -0.025 0.000 1.223 327 Y CA -0.232 57.770 58.100 -0.163 0.000 1.284 327 Y CB -3.106 35.305 38.460 -0.081 0.000 1.367 327 Y HN 0.116 nan 8.280 nan 0.000 0.566 328 N N 0.382 119.122 118.700 0.067 0.000 2.442 328 N HA 0.160 4.901 4.740 0.002 0.000 0.265 328 N C 1.318 176.950 175.510 0.203 0.000 1.138 328 N CA 0.235 53.359 53.050 0.123 0.000 0.956 328 N CB 1.503 40.034 38.487 0.074 0.000 1.067 328 N HN 0.118 nan 8.380 nan 0.000 0.474 329 V N 2.138 122.215 119.914 0.272 0.000 2.277 329 V HA -0.240 3.881 4.120 0.002 0.000 0.253 329 V C 1.660 177.867 176.094 0.188 0.000 1.067 329 V CA 2.329 64.811 62.300 0.302 0.000 1.047 329 V CB -1.351 30.578 31.823 0.175 0.000 0.649 329 V HN 1.036 nan 8.190 nan 0.000 0.447 330 G N -0.821 108.045 108.800 0.110 0.000 2.443 330 G HA2 -0.117 3.843 3.960 0.002 0.000 0.209 330 G HA3 -0.117 3.843 3.960 0.002 0.000 0.209 330 G C -2.465 172.460 174.900 0.042 0.000 1.176 330 G CA -0.186 44.951 45.100 0.063 0.000 1.074 330 G HN 0.373 nan 8.290 nan 0.000 0.577 331 P HA 0.432 nan 4.420 nan 0.000 0.338 331 P C 1.241 178.517 177.300 -0.038 0.000 1.428 331 P CA 1.596 64.692 63.100 -0.007 0.000 0.867 331 P CB -0.681 31.011 31.700 -0.012 0.000 2.125 332 G N -1.027 107.715 108.800 -0.097 0.000 3.085 332 G HA2 -0.231 3.730 3.960 0.002 0.000 0.455 332 G HA3 -0.231 3.730 3.960 0.002 0.000 0.455 332 G C -0.670 174.133 174.900 -0.161 0.000 1.592 332 G CA -0.474 44.553 45.100 -0.122 0.000 1.083 332 G HN 0.322 nan 8.290 nan 0.000 0.574 333 F N 0.930 120.918 119.950 0.063 0.000 2.410 333 F HA 0.442 4.969 4.527 0.001 0.000 0.348 333 F C 1.801 177.666 175.800 0.110 0.000 1.106 333 F CA 0.280 58.326 58.000 0.075 0.000 1.163 333 F CB 1.355 40.419 39.000 0.106 0.000 1.129 333 F HN 0.836 nan 8.300 nan 0.000 0.516 338 S N 0.925 116.759 115.700 0.224 0.000 2.343 338 S HA -0.409 4.062 4.470 0.002 0.000 0.324 338 S C 1.660 176.414 174.600 0.258 0.000 1.144 338 S CA 3.409 61.740 58.200 0.218 0.000 1.548 338 S CB -0.695 62.569 63.200 0.107 0.000 1.368 338 S HN 0.679 nan 8.310 nan 0.000 0.477 339 T N 0.184 114.854 114.554 0.193 0.000 13.863 339 T HA -0.214 4.137 4.350 0.002 0.000 0.418 339 T C -0.043 174.785 174.700 0.212 0.000 1.448 339 T CA 1.334 63.532 62.100 0.164 0.000 2.353 339 T CB -1.171 67.773 68.868 0.127 0.000 2.764 339 T HN 0.885 nan 8.240 nan 0.000 0.396 340 Q N 1.927 121.911 119.800 0.307 0.000 2.256 340 Q HA 0.719 5.059 4.340 0.002 0.000 0.232 340 Q C -0.529 175.811 176.000 0.567 0.000 0.965 340 Q CA -0.561 55.432 55.803 0.318 0.000 0.908 340 Q CB 1.443 30.256 28.738 0.125 0.000 1.209 340 Q HN 0.268 nan 8.270 nan 0.000 0.489 341 K N -0.050 120.616 120.400 0.444 0.000 2.509 341 K HA 0.562 4.883 4.320 0.002 0.000 0.266 341 K C -1.180 175.587 176.600 0.278 0.000 0.987 341 K CA -0.789 55.661 56.287 0.272 0.000 0.868 341 K CB 2.270 34.858 32.500 0.146 0.000 1.421 341 K HN 0.465 nan 8.250 nan 0.000 0.444 342 V N 1.471 121.473 119.914 0.147 0.000 2.612 342 V HA 0.590 4.711 4.120 0.002 0.000 0.301 342 V C -0.135 176.024 176.094 0.108 0.000 1.046 342 V CA -0.622 61.770 62.300 0.153 0.000 0.946 342 V CB 1.607 33.494 31.823 0.106 0.000 1.003 342 V HN 0.671 nan 8.190 nan 0.000 0.459 343 K N 3.963 124.443 120.400 0.133 0.000 2.535 343 K HA 0.603 4.923 4.320 0.002 0.000 0.250 343 K C -1.182 175.447 176.600 0.048 0.000 0.948 343 K CA -0.566 55.756 56.287 0.057 0.000 0.796 343 K CB 1.747 34.295 32.500 0.081 0.000 1.216 343 K HN 0.657 nan 8.250 nan 0.000 0.432 344 M N 2.574 122.112 119.600 -0.104 0.000 2.444 344 M HA 0.319 4.800 4.480 0.002 0.000 0.319 344 M C -0.322 175.745 176.300 -0.388 0.000 1.183 344 M CA -0.485 54.744 55.300 -0.118 0.000 1.032 344 M CB 1.252 33.793 32.600 -0.098 0.000 1.569 344 M HN 0.455 nan 8.290 nan 0.000 0.468 345 H N 3.185 121.927 119.070 -0.547 0.000 2.716 345 H HA 0.373 4.930 4.556 0.001 0.000 0.260 345 H C -1.228 173.608 175.328 -0.820 0.000 1.280 345 H CA -0.476 55.136 56.048 -0.726 0.000 1.506 345 H CB 0.800 29.919 29.762 -1.072 0.000 1.514 345 H HN 0.364 nan 8.280 nan 0.000 0.502 346 I N 2.534 122.754 120.570 -0.582 0.000 2.362 346 I HA 0.155 4.326 4.170 0.002 0.000 0.289 346 I C 0.394 176.334 176.117 -0.295 0.000 0.994 346 I CA -0.391 60.688 61.300 -0.369 0.000 1.158 346 I CB 1.022 38.960 38.000 -0.104 0.000 1.315 346 I HN 0.674 nan 8.210 nan 0.000 0.451 347 H N 2.121 121.203 119.070 0.019 0.000 2.665 347 H HA 0.278 4.835 4.556 0.002 0.000 0.248 347 H C 0.346 175.691 175.328 0.027 0.000 1.175 347 H CA -0.301 55.758 56.048 0.019 0.000 0.952 347 H CB 0.861 30.632 29.762 0.015 0.000 1.883 347 H HN 0.446 nan 8.280 nan 0.000 0.623 348 S N 1.457 117.231 115.700 0.123 0.000 2.593 348 S HA 0.228 4.699 4.470 0.002 0.000 0.269 348 S C 0.777 175.430 174.600 0.088 0.000 1.334 348 S CA -0.318 57.932 58.200 0.083 0.000 1.015 348 S CB 1.173 64.427 63.200 0.091 0.000 0.912 348 S HN 0.537 nan 8.310 nan 0.000 0.541 349 T N 0.083 114.680 114.554 0.072 0.000 2.887 349 T HA 0.529 4.880 4.350 0.002 0.000 0.288 349 T C -0.893 173.841 174.700 0.056 0.000 1.021 349 T CA -1.101 61.042 62.100 0.072 0.000 1.000 349 T CB 0.876 69.785 68.868 0.067 0.000 1.034 349 T HN 0.372 nan 8.240 nan 0.000 0.467 350 N N 2.116 120.850 118.700 0.057 0.000 2.456 350 N HA 0.494 5.235 4.740 0.002 0.000 0.288 350 N C -0.729 174.808 175.510 0.045 0.000 1.059 350 N CA -0.621 52.452 53.050 0.039 0.000 0.946 350 N CB 1.404 39.963 38.487 0.121 0.000 1.150 350 N HN 0.899 nan 8.380 nan 0.000 0.479 351 E N -0.884 119.330 120.200 0.023 0.000 2.347 351 E HA 0.230 4.581 4.350 0.002 0.000 0.285 351 E C -1.175 175.440 176.600 0.024 0.000 0.925 351 E CA -0.886 55.539 56.400 0.043 0.000 0.779 351 E CB 0.867 30.611 29.700 0.073 0.000 1.233 351 E HN 0.006 nan 8.360 nan 0.000 0.414 352 V N 2.903 122.827 119.914 0.016 0.000 2.506 352 V HA 0.035 4.156 4.120 0.002 0.000 0.296 352 V C -0.123 175.973 176.094 0.004 0.000 1.004 352 V CA 1.002 63.303 62.300 0.002 0.000 1.150 352 V CB 0.110 31.930 31.823 -0.006 0.000 0.911 352 V HN 0.791 nan 8.190 nan 0.000 0.476 353 T N 5.849 120.398 114.554 -0.008 0.000 2.906 353 T HA 0.512 4.863 4.350 0.002 0.000 0.295 353 T C -0.259 174.426 174.700 -0.026 0.000 1.075 353 T CA -0.762 61.337 62.100 -0.001 0.000 1.005 353 T CB 1.914 70.799 68.868 0.028 0.000 1.136 353 T HN 0.730 nan 8.240 nan 0.000 0.498 354 R N 1.795 122.274 120.500 -0.036 0.000 2.486 354 R HA 0.778 5.119 4.340 0.002 0.000 0.286 354 R C -0.702 175.492 176.300 -0.177 0.000 0.999 354 R CA -0.602 55.428 56.100 -0.118 0.000 0.993 354 R CB 0.447 30.649 30.300 -0.163 0.000 1.084 354 R HN 0.743 nan 8.270 nan 0.000 0.487 355 I N -0.485 119.900 120.570 -0.310 0.000 2.969 355 I HA 0.508 4.679 4.170 0.002 0.000 0.307 355 I C -1.791 174.115 176.117 -0.352 0.000 1.149 355 I CA -1.193 60.003 61.300 -0.172 0.000 1.008 355 I CB 2.333 40.349 38.000 0.026 0.000 1.232 355 I HN 0.565 nan 8.210 nan 0.000 0.435 356 Y N 2.003 122.433 120.300 0.216 0.000 2.331 356 Y HA 0.490 5.041 4.550 0.001 0.000 0.326 356 Y C -0.533 175.465 175.900 0.163 0.000 1.020 356 Y CA -0.722 57.499 58.100 0.202 0.000 1.136 356 Y CB 1.639 40.211 38.460 0.187 0.000 1.157 356 Y HN 0.501 nan 8.280 nan 0.000 0.444 357 N N 1.775 120.664 118.700 0.315 0.000 2.473 357 N HA 0.517 5.257 4.740 0.002 0.000 0.291 357 N C -1.070 174.485 175.510 0.075 0.000 1.083 357 N CA -0.493 52.694 53.050 0.228 0.000 0.951 357 N CB 2.177 40.871 38.487 0.345 0.000 1.164 357 N HN 0.280 nan 8.380 nan 0.000 0.480 358 V N 3.350 123.216 119.914 -0.080 0.000 2.370 358 V HA 0.450 4.571 4.120 0.002 0.000 0.283 358 V C 0.061 176.105 176.094 -0.084 0.000 1.023 358 V CA -0.656 61.569 62.300 -0.124 0.000 0.857 358 V CB 1.085 32.711 31.823 -0.329 0.000 0.985 358 V HN 0.428 nan 8.190 nan 0.000 0.443 359 I N 4.208 124.772 120.570 -0.010 0.000 2.389 359 I HA 0.609 4.780 4.170 0.002 0.000 0.288 359 I C 0.504 176.697 176.117 0.126 0.000 0.999 359 I CA -0.130 61.159 61.300 -0.019 0.000 1.129 359 I CB 1.651 39.580 38.000 -0.120 0.000 1.288 359 I HN 0.705 nan 8.210 nan 0.000 0.444 360 G N 4.229 113.135 108.800 0.177 0.000 2.557 360 G HA2 0.533 4.494 3.960 0.002 0.000 0.310 360 G HA3 0.533 4.494 3.960 0.002 0.000 0.310 360 G C -0.470 174.467 174.900 0.061 0.000 1.328 360 G CA -0.259 44.948 45.100 0.179 0.000 0.945 360 G HN 0.490 nan 8.290 nan 0.000 0.494 361 T N 2.074 116.647 114.554 0.031 0.000 2.817 361 T HA 0.356 4.706 4.350 0.002 0.000 0.293 361 T C -0.343 174.355 174.700 -0.002 0.000 0.964 361 T CA -0.123 61.955 62.100 -0.037 0.000 1.085 361 T CB 1.548 70.408 68.868 -0.013 0.000 0.921 361 T HN 0.366 nan 8.240 nan 0.000 0.502 362 L N 4.145 125.328 121.223 -0.067 0.000 2.324 362 L HA 0.461 4.802 4.340 0.002 0.000 0.274 362 L C 0.223 177.039 176.870 -0.091 0.000 1.012 362 L CA -0.627 54.194 54.840 -0.032 0.000 0.859 362 L CB 0.748 42.819 42.059 0.020 0.000 1.224 362 L HN 0.515 nan 8.230 nan 0.000 0.429 363 R N 2.751 123.218 120.500 -0.055 0.000 2.623 363 R HA 0.440 4.780 4.340 0.002 0.000 0.271 363 R C 0.333 176.567 176.300 -0.110 0.000 1.043 363 R CA 0.452 56.518 56.100 -0.057 0.000 1.083 363 R CB 0.531 30.816 30.300 -0.025 0.000 0.974 363 R HN 0.886 nan 8.270 nan 0.000 0.436 364 G N 0.902 109.642 108.800 -0.100 0.000 2.572 364 G HA2 0.376 4.337 3.960 0.002 0.000 0.261 364 G HA3 0.376 4.337 3.960 0.002 0.000 0.261 364 G C 0.117 174.936 174.900 -0.135 0.000 1.197 364 G CA 0.043 45.056 45.100 -0.145 0.000 0.870 364 G HN 0.754 nan 8.290 nan 0.000 0.548 365 A N -0.078 122.643 122.820 -0.166 0.000 1.999 365 A HA 0.349 4.670 4.320 0.002 0.000 0.200 365 A C 2.142 179.664 177.584 -0.104 0.000 1.363 365 A CA 0.967 52.920 52.037 -0.141 0.000 0.844 365 A CB -0.031 18.857 19.000 -0.186 0.000 0.954 365 A HN 0.487 nan 8.150 nan 0.000 0.481 366 V N 0.316 120.162 119.914 -0.113 0.000 2.374 366 V HA 0.012 4.133 4.120 0.002 0.000 0.241 366 V C 0.781 176.833 176.094 -0.071 0.000 1.034 366 V CA 1.293 63.543 62.300 -0.082 0.000 1.037 366 V CB -0.392 31.383 31.823 -0.081 0.000 0.682 366 V HN 0.543 nan 8.190 nan 0.000 0.463 367 E N 0.871 121.020 120.200 -0.084 0.000 3.786 367 E HA 0.195 4.546 4.350 0.002 0.000 0.215 367 E C -2.038 174.515 176.600 -0.078 0.000 1.188 367 E CA -1.491 54.862 56.400 -0.078 0.000 1.248 367 E CB 0.927 30.576 29.700 -0.086 0.000 1.260 367 E HN 0.412 nan 8.360 nan 0.000 0.426 368 P HA -0.188 nan 4.420 nan 0.000 0.227 368 P C 0.373 177.667 177.300 -0.009 0.000 1.145 368 P CA 1.274 64.359 63.100 -0.025 0.000 0.769 368 P CB 0.152 31.845 31.700 -0.011 0.000 0.769 369 D N -2.049 118.296 120.400 -0.092 0.000 2.462 369 D HA 0.057 4.698 4.640 0.002 0.000 0.221 369 D C 0.281 176.351 176.300 -0.384 0.000 1.173 369 D CA -0.269 53.602 54.000 -0.214 0.000 0.831 369 D CB 0.101 40.819 40.800 -0.136 0.000 1.001 369 D HN -0.093 nan 8.370 nan 0.000 0.499 370 R N 0.847 121.179 120.500 -0.279 0.000 2.437 370 R HA 0.326 4.667 4.340 0.002 0.000 0.310 370 R C -1.140 175.092 176.300 -0.114 0.000 0.955 370 R CA -0.760 55.186 56.100 -0.257 0.000 0.851 370 R CB 0.763 30.974 30.300 -0.148 0.000 1.161 370 R HN 0.024 nan 8.270 nan 0.000 0.446 371 Y N 1.365 121.654 120.300 -0.018 0.000 2.342 371 Y HA 0.329 4.880 4.550 0.002 0.000 0.338 371 Y C 0.463 176.350 175.900 -0.021 0.000 0.965 371 Y CA -1.068 57.025 58.100 -0.011 0.000 1.159 371 Y CB 1.352 39.853 38.460 0.067 0.000 1.157 371 Y HN 0.098 nan 8.280 nan 0.000 0.486 372 V N 6.107 126.056 119.914 0.060 0.000 2.427 372 V HA 0.436 4.557 4.120 0.002 0.000 0.286 372 V C -0.031 175.992 176.094 -0.118 0.000 1.034 372 V CA -0.720 61.566 62.300 -0.024 0.000 0.893 372 V CB 1.448 33.217 31.823 -0.091 0.000 0.982 372 V HN 0.565 nan 8.190 nan 0.000 0.452 373 I N 5.674 126.200 120.570 -0.073 0.000 2.418 373 I HA 0.415 4.586 4.170 0.002 0.000 0.287 373 I C -0.962 175.003 176.117 -0.252 0.000 1.008 373 I CA -0.640 60.576 61.300 -0.140 0.000 1.104 373 I CB 1.940 39.978 38.000 0.063 0.000 1.264 373 I HN 0.393 nan 8.210 nan 0.000 0.438 374 L N 6.534 127.590 121.223 -0.278 0.000 2.305 374 L HA 0.865 5.206 4.340 0.002 0.000 0.284 374 L C -0.137 176.638 176.870 -0.158 0.000 1.013 374 L CA 0.167 54.886 54.840 -0.201 0.000 0.819 374 L CB 1.343 43.419 42.059 0.029 0.000 1.227 374 L HN 0.628 nan 8.230 nan 0.000 0.417 375 G N 2.388 111.070 108.800 -0.196 0.000 2.667 375 G HA2 0.748 4.709 3.960 0.002 0.000 0.298 375 G HA3 0.748 4.709 3.960 0.002 0.000 0.298 375 G C -1.142 173.856 174.900 0.162 0.000 1.377 375 G CA -0.224 44.849 45.100 -0.044 0.000 0.964 375 G HN 0.932 nan 8.290 nan 0.000 0.493 376 G N -0.342 108.509 108.800 0.085 0.000 2.660 376 G HA2 0.656 4.617 3.960 0.002 0.000 0.290 376 G HA3 0.656 4.617 3.960 0.002 0.000 0.290 376 G C -1.117 173.959 174.900 0.292 0.000 1.432 376 G CA -0.710 44.563 45.100 0.288 0.000 0.807 376 G HN 1.213 nan 8.290 nan 0.000 0.485 377 H N -1.616 117.622 119.070 0.279 0.000 2.508 377 H HA 0.739 5.295 4.556 0.001 0.000 0.344 377 H C 0.949 176.322 175.328 0.074 0.000 1.192 377 H CA -0.845 55.347 56.048 0.240 0.000 1.290 377 H CB 1.957 31.875 29.762 0.260 0.000 1.571 377 H HN 0.535 nan 8.280 nan 0.000 0.555 378 R N 0.443 120.998 120.500 0.092 0.000 2.369 378 R HA 0.027 4.368 4.340 0.002 0.000 0.210 378 R C -0.607 175.658 176.300 -0.058 0.000 0.881 378 R CA -0.013 56.013 56.100 -0.123 0.000 1.031 378 R CB 0.357 30.539 30.300 -0.198 0.000 1.184 378 R HN 0.909 nan 8.270 nan 0.000 0.581 379 D N 1.254 121.732 120.400 0.129 0.000 2.304 379 D HA 0.119 4.760 4.640 0.002 0.000 0.247 379 D C -0.679 175.682 176.300 0.102 0.000 1.089 379 D CA -0.199 53.866 54.000 0.108 0.000 0.910 379 D CB 1.745 42.613 40.800 0.113 0.000 1.199 379 D HN 0.143 nan 8.370 nan 0.000 0.426 380 S N 0.022 115.742 115.700 0.033 0.000 2.599 380 S HA 0.348 4.819 4.470 0.002 0.000 0.294 380 S C 0.283 174.805 174.600 -0.131 0.000 1.094 380 S CA -1.022 57.178 58.200 0.001 0.000 0.931 380 S CB 1.197 64.463 63.200 0.110 0.000 1.093 380 S HN 0.696 nan 8.310 nan 0.000 0.488 381 W N 0.349 121.589 121.300 -0.100 0.000 2.441 381 W HA 0.138 4.799 4.660 0.001 0.000 0.302 381 W C 1.422 177.857 176.519 -0.140 0.000 1.191 381 W CA 0.643 57.886 57.345 -0.170 0.000 1.327 381 W CB -0.056 29.192 29.460 -0.354 0.000 1.128 381 W HN 0.461 nan 8.180 nan 0.000 0.522 382 V N -1.996 117.957 119.914 0.064 0.000 5.812 382 V HA 0.101 4.221 4.120 0.002 0.000 0.138 382 V C 0.944 176.864 176.094 -0.291 0.000 1.053 382 V CA -0.159 62.020 62.300 -0.202 0.000 1.322 382 V CB -0.753 30.901 31.823 -0.282 0.000 2.412 382 V HN -0.183 nan 8.190 nan 0.000 0.316 383 F N 1.561 121.533 119.950 0.037 0.000 2.293 383 F HA 0.362 4.890 4.527 0.001 0.000 0.297 383 F C 1.899 177.781 175.800 0.137 0.000 1.089 383 F CA 1.120 59.165 58.000 0.075 0.000 1.377 383 F CB -0.740 38.281 39.000 0.036 0.000 1.051 383 F HN 0.588 nan 8.300 nan 0.000 0.511 384 G N 0.281 109.240 108.800 0.266 0.000 2.246 384 G HA2 -0.239 3.722 3.960 0.002 0.000 0.273 384 G HA3 -0.239 3.722 3.960 0.002 0.000 0.273 384 G C 1.333 176.374 174.900 0.236 0.000 1.055 384 G CA 0.237 45.477 45.100 0.233 0.000 0.851 384 G HN 0.713 nan 8.290 nan 0.000 0.500 385 G N -0.281 108.664 108.800 0.241 0.000 2.440 385 G HA2 -0.098 3.863 3.960 0.002 0.000 0.218 385 G HA3 -0.098 3.863 3.960 0.002 0.000 0.218 385 G C 1.721 176.714 174.900 0.154 0.000 1.154 385 G CA 1.417 46.646 45.100 0.214 0.000 0.767 385 G HN 0.614 nan 8.290 nan 0.000 0.552 386 I N -0.040 120.601 120.570 0.118 0.000 2.272 386 I HA 0.065 4.236 4.170 0.002 0.000 0.235 386 I C 0.453 176.661 176.117 0.152 0.000 1.071 386 I CA 0.515 61.844 61.300 0.048 0.000 1.374 386 I CB 0.030 37.956 38.000 -0.123 0.000 1.121 386 I HN 0.063 nan 8.210 nan 0.000 0.420 387 D N 1.723 122.292 120.400 0.281 0.000 2.412 387 D HA 0.153 4.794 4.640 0.002 0.000 0.224 387 D C -1.983 174.462 176.300 0.240 0.000 1.093 387 D CA -2.394 51.799 54.000 0.322 0.000 0.850 387 D CB 1.513 42.642 40.800 0.549 0.000 1.046 387 D HN 0.014 nan 8.370 nan 0.000 0.507 388 P HA 0.025 nan 4.420 nan 0.000 0.268 388 P C 0.801 178.075 177.300 -0.042 0.000 1.248 388 P CA 0.096 63.100 63.100 -0.160 0.000 0.851 388 P CB 0.671 31.924 31.700 -0.745 0.000 1.238 389 Q N 0.756 120.589 119.800 0.055 0.000 2.364 389 Q HA -0.066 4.275 4.340 0.002 0.000 0.209 389 Q C 2.036 178.185 176.000 0.248 0.000 0.977 389 Q CA 1.589 57.480 55.803 0.147 0.000 0.885 389 Q CB -1.028 27.852 28.738 0.236 0.000 0.941 389 Q HN 0.415 nan 8.270 nan 0.000 0.464 390 S N -0.477 115.346 115.700 0.206 0.000 2.428 390 S HA -0.026 4.445 4.470 0.002 0.000 0.230 390 S C 1.943 176.659 174.600 0.192 0.000 1.014 390 S CA 0.874 59.235 58.200 0.269 0.000 0.957 390 S CB -0.307 63.011 63.200 0.197 0.000 0.784 390 S HN 0.376 nan 8.310 nan 0.000 0.499 391 G N 1.574 110.443 108.800 0.115 0.000 2.424 391 G HA2 0.176 4.137 3.960 0.002 0.000 0.214 391 G HA3 0.176 4.137 3.960 0.002 0.000 0.214 391 G C 1.766 176.759 174.900 0.156 0.000 1.202 391 G CA 0.687 45.849 45.100 0.103 0.000 0.793 391 G HN 0.755 nan 8.290 nan 0.000 0.534 392 A N 1.468 124.360 122.820 0.120 0.000 1.896 392 A HA -0.036 4.285 4.320 0.002 0.000 0.220 392 A C 2.832 180.637 177.584 0.369 0.000 1.206 392 A CA 3.098 55.217 52.037 0.136 0.000 0.647 392 A CB -1.114 17.833 19.000 -0.087 0.000 0.828 392 A HN 1.027 nan 8.150 nan 0.000 0.455 393 A N -1.066 122.041 122.820 0.479 0.000 1.908 393 A HA -0.036 4.285 4.320 0.002 0.000 0.218 393 A C 2.277 180.131 177.584 0.450 0.000 1.181 393 A CA 1.993 54.345 52.037 0.525 0.000 0.627 393 A CB -1.015 18.275 19.000 0.483 0.000 0.818 393 A HN 0.505 nan 8.150 nan 0.000 0.445 394 V N -0.447 119.683 119.914 0.361 0.000 2.343 394 V HA -0.228 3.893 4.120 0.002 0.000 0.247 394 V C 2.594 178.842 176.094 0.256 0.000 1.051 394 V CA 1.899 64.372 62.300 0.288 0.000 1.036 394 V CB -0.687 31.262 31.823 0.210 0.000 0.654 394 V HN 0.384 nan 8.190 nan 0.000 0.451 395 V N -0.487 119.584 119.914 0.262 0.000 2.252 395 V HA -0.355 3.766 4.120 0.002 0.000 0.249 395 V C 2.382 178.628 176.094 0.254 0.000 1.056 395 V CA 2.605 65.052 62.300 0.244 0.000 1.022 395 V CB -0.896 31.096 31.823 0.282 0.000 0.641 395 V HN 0.607 nan 8.190 nan 0.000 0.445 396 H N 0.034 119.232 119.070 0.214 0.000 2.319 396 H HA -0.212 4.345 4.556 0.002 0.000 0.297 396 H C 2.278 177.596 175.328 -0.018 0.000 1.097 396 H CA 2.294 58.413 56.048 0.118 0.000 1.285 396 H CB -0.092 29.539 29.762 -0.218 0.000 1.368 396 H HN 0.529 nan 8.280 nan 0.000 0.495 397 E N 0.375 120.687 120.200 0.187 0.000 2.072 397 E HA -0.099 4.252 4.350 0.002 0.000 0.191 397 E C 2.285 178.878 176.600 -0.012 0.000 0.985 397 E CA 1.391 57.890 56.400 0.165 0.000 0.801 397 E CB -0.430 29.434 29.700 0.273 0.000 0.750 397 E HN 0.565 nan 8.360 nan 0.000 0.452 398 I N 0.059 120.658 120.570 0.048 0.000 2.113 398 I HA -0.326 3.845 4.170 0.002 0.000 0.242 398 I C 2.293 178.436 176.117 0.044 0.000 1.064 398 I CA 1.251 62.604 61.300 0.089 0.000 1.320 398 I CB -0.701 37.442 38.000 0.237 0.000 1.028 398 I HN 0.076 nan 8.210 nan 0.000 0.406 399 V N 0.939 120.731 119.914 -0.204 0.000 2.233 399 V HA -0.321 3.800 4.120 0.002 0.000 0.247 399 V C 2.736 178.725 176.094 -0.176 0.000 1.050 399 V CA 2.253 64.258 62.300 -0.491 0.000 1.010 399 V CB -0.810 30.468 31.823 -0.909 0.000 0.637 399 V HN 0.435 nan 8.190 nan 0.000 0.444 400 R N -0.027 120.337 120.500 -0.227 0.000 2.113 400 R HA -0.260 4.081 4.340 0.002 0.000 0.244 400 R C 2.612 178.758 176.300 -0.256 0.000 1.142 400 R CA 2.294 58.081 56.100 -0.523 0.000 0.953 400 R CB -0.629 28.975 30.300 -1.160 0.000 0.860 400 R HN 0.526 nan 8.270 nan 0.000 0.438 401 S N -0.526 115.046 115.700 -0.213 0.000 2.370 401 S HA -0.161 4.310 4.470 0.002 0.000 0.226 401 S C 1.792 176.371 174.600 -0.036 0.000 1.033 401 S CA 1.348 59.423 58.200 -0.209 0.000 1.011 401 S CB -0.353 62.602 63.200 -0.409 0.000 0.852 401 S HN 0.393 nan 8.310 nan 0.000 0.457 402 F N 1.915 121.970 119.950 0.176 0.000 2.051 402 F HA 0.097 4.625 4.527 0.001 0.000 0.296 402 F C 2.805 178.713 175.800 0.181 0.000 1.122 402 F CA 1.258 59.405 58.000 0.246 0.000 1.201 402 F CB -1.324 37.830 39.000 0.256 0.000 0.978 402 F HN 0.356 nan 8.300 nan 0.000 0.472 403 G N -1.368 107.600 108.800 0.281 0.000 2.532 403 G HA2 -0.260 3.701 3.960 0.002 0.000 0.222 403 G HA3 -0.260 3.701 3.960 0.002 0.000 0.222 403 G C 1.693 176.691 174.900 0.163 0.000 1.102 403 G CA 1.658 46.881 45.100 0.206 0.000 0.742 403 G HN 0.340 nan 8.290 nan 0.000 0.577 404 T N 1.181 115.794 114.554 0.097 0.000 2.668 404 T HA -0.020 4.331 4.350 0.002 0.000 0.262 404 T C 2.438 177.196 174.700 0.095 0.000 1.045 404 T CA 1.018 63.146 62.100 0.047 0.000 1.152 404 T CB -0.249 68.590 68.868 -0.048 0.000 0.864 404 T HN 0.210 nan 8.240 nan 0.000 0.419 405 L N 1.095 122.386 121.223 0.113 0.000 2.127 405 L HA -0.125 4.216 4.340 0.002 0.000 0.211 405 L C 2.767 179.850 176.870 0.355 0.000 1.089 405 L CA 1.265 56.197 54.840 0.152 0.000 0.757 405 L CB -0.745 41.281 42.059 -0.055 0.000 0.899 405 L HN 0.193 nan 8.230 nan 0.000 0.434 406 K N 1.533 122.176 120.400 0.405 0.000 1.991 406 K HA -0.223 4.097 4.320 0.002 0.000 0.212 406 K C 2.092 178.833 176.600 0.234 0.000 1.049 406 K CA 1.740 58.251 56.287 0.374 0.000 0.932 406 K CB -0.088 32.592 32.500 0.301 0.000 0.717 406 K HN 0.185 nan 8.250 nan 0.000 0.441 407 K N 0.672 121.178 120.400 0.176 0.000 2.059 407 K HA -0.162 4.159 4.320 0.002 0.000 0.212 407 K C 1.924 178.593 176.600 0.114 0.000 1.050 407 K CA 2.192 58.553 56.287 0.124 0.000 0.927 407 K CB -0.129 32.429 32.500 0.097 0.000 0.714 407 K HN 0.131 nan 8.250 nan 0.000 0.447 408 E N -0.862 119.412 120.200 0.123 0.000 2.510 408 E HA -0.041 4.310 4.350 0.002 0.000 0.202 408 E C 1.131 177.816 176.600 0.143 0.000 1.072 408 E CA 0.573 57.038 56.400 0.109 0.000 0.883 408 E CB -0.369 29.383 29.700 0.087 0.000 0.818 408 E HN 0.671 nan 8.360 nan 0.000 0.548 409 G N -0.453 108.449 108.800 0.169 0.000 2.159 409 G HA2 -0.277 3.684 3.960 0.002 0.000 0.227 409 G HA3 -0.277 3.684 3.960 0.002 0.000 0.227 409 G C -0.085 174.941 174.900 0.211 0.000 0.986 409 G CA -0.031 45.161 45.100 0.154 0.000 0.651 409 G HN 0.495 nan 8.290 nan 0.000 0.523 410 W N 1.223 122.566 121.300 0.072 0.000 2.283 410 W HA 0.801 5.462 4.660 0.001 0.000 0.341 410 W C 0.384 176.955 176.519 0.087 0.000 1.206 410 W CA -0.737 56.658 57.345 0.084 0.000 1.294 410 W CB 0.720 30.249 29.460 0.115 0.000 1.154 410 W HN 0.143 nan 8.180 nan 0.000 0.613 411 R N 3.497 123.361 120.500 -1.061 0.000 2.668 411 R HA 0.347 4.688 4.340 0.002 0.000 0.272 411 R C -2.543 172.741 176.300 -1.694 0.000 1.019 411 R CA -1.850 53.591 56.100 -1.099 0.000 0.894 411 R CB 2.165 32.171 30.300 -0.490 0.000 1.228 411 R HN 0.206 nan 8.270 nan 0.000 0.460 412 P HA 0.145 nan 4.420 nan 0.000 0.277 412 P C -0.072 176.955 177.300 -0.455 0.000 1.240 412 P CA -0.473 62.157 63.100 -0.784 0.000 0.798 412 P CB 0.815 32.244 31.700 -0.452 0.000 0.979 413 R N 1.400 121.712 120.500 -0.313 0.000 2.091 413 R HA -0.087 4.254 4.340 0.002 0.000 0.238 413 R C 0.504 176.695 176.300 -0.183 0.000 1.136 413 R CA 1.443 57.417 56.100 -0.211 0.000 0.959 413 R CB 0.129 30.338 30.300 -0.151 0.000 0.856 413 R HN 0.501 nan 8.270 nan 0.000 0.437 414 R N -0.689 119.698 120.500 -0.188 0.000 2.782 414 R HA 0.258 4.599 4.340 0.002 0.000 0.258 414 R C -0.535 175.676 176.300 -0.148 0.000 1.055 414 R CA -0.634 55.378 56.100 -0.147 0.000 1.065 414 R CB 1.374 31.597 30.300 -0.128 0.000 1.172 414 R HN -0.090 nan 8.270 nan 0.000 0.510 415 T N 1.962 116.473 114.554 -0.072 0.000 2.832 415 T HA 0.316 4.667 4.350 0.002 0.000 0.296 415 T C 0.260 174.884 174.700 -0.127 0.000 0.968 415 T CA -0.089 61.978 62.100 -0.056 0.000 1.107 415 T CB 0.177 69.114 68.868 0.115 0.000 0.916 415 T HN 0.232 nan 8.240 nan 0.000 0.517 416 I N 3.684 124.079 120.570 -0.291 0.000 2.437 416 I HA 0.471 4.642 4.170 0.002 0.000 0.298 416 I C -0.240 175.446 176.117 -0.718 0.000 0.984 416 I CA -0.818 60.168 61.300 -0.524 0.000 1.214 416 I CB 1.267 38.807 38.000 -0.767 0.000 1.365 416 I HN 0.293 nan 8.210 nan 0.000 0.469 417 L N 5.301 126.062 121.223 -0.769 0.000 2.362 417 L HA 0.578 4.919 4.340 0.002 0.000 0.271 417 L C -1.383 174.960 176.870 -0.877 0.000 1.002 417 L CA -0.598 53.851 54.840 -0.653 0.000 0.818 417 L CB 1.827 43.691 42.059 -0.324 0.000 1.298 417 L HN 0.401 nan 8.230 nan 0.000 0.420 418 F N 1.359 121.135 119.950 -0.289 0.000 2.539 418 F HA 0.638 5.166 4.527 0.001 0.000 0.328 418 F C 0.173 175.827 175.800 -0.244 0.000 1.148 418 F CA -0.641 57.141 58.000 -0.364 0.000 0.940 418 F CB 1.862 40.423 39.000 -0.732 0.000 1.194 418 F HN 0.379 nan 8.300 nan 0.000 0.438 419 A N 1.728 124.404 122.820 -0.241 0.000 2.318 419 A HA 0.648 4.969 4.320 0.002 0.000 0.324 419 A C -0.325 176.973 177.584 -0.477 0.000 1.170 419 A CA -0.706 50.961 52.037 -0.616 0.000 0.810 419 A CB 1.278 19.245 19.000 -1.721 0.000 1.198 419 A HN 0.589 nan 8.150 nan 0.000 0.484 420 S N 2.752 118.276 115.700 -0.293 0.000 2.411 420 S HA 0.424 4.895 4.470 0.002 0.000 0.294 420 S C -0.551 173.905 174.600 -0.240 0.000 1.115 420 S CA -0.411 57.617 58.200 -0.286 0.000 1.071 420 S CB -0.232 62.748 63.200 -0.367 0.000 0.967 420 S HN 0.526 nan 8.310 nan 0.000 0.488 421 W N 3.009 124.366 121.300 0.096 0.000 2.237 421 W HA 0.397 5.058 4.660 0.001 0.000 0.335 421 W C 0.673 177.261 176.519 0.114 0.000 1.230 421 W CA -0.782 56.634 57.345 0.119 0.000 1.253 421 W CB 0.540 30.108 29.460 0.181 0.000 1.129 421 W HN 0.496 nan 8.180 nan 0.000 0.590 422 D N 0.029 120.685 120.400 0.426 0.000 2.299 422 D HA 0.389 5.030 4.640 0.002 0.000 0.243 422 D C 0.020 176.442 176.300 0.204 0.000 0.982 422 D CA -0.005 54.157 54.000 0.270 0.000 0.924 422 D CB 1.723 42.671 40.800 0.246 0.000 1.238 422 D HN 0.567 nan 8.370 nan 0.000 0.484 423 A N 2.044 124.956 122.820 0.154 0.000 2.745 423 A HA -0.218 4.103 4.320 0.002 0.000 0.296 423 A C 1.409 179.044 177.584 0.085 0.000 1.500 423 A CA 1.293 53.409 52.037 0.131 0.000 0.766 423 A CB -1.712 17.332 19.000 0.074 0.000 1.030 423 A HN 0.650 nan 8.150 nan 0.000 0.489 424 E N 0.059 120.246 120.200 -0.021 0.000 2.047 424 E HA -0.190 4.161 4.350 0.002 0.000 0.191 424 E C 1.578 178.060 176.600 -0.197 0.000 0.987 424 E CA 1.392 57.672 56.400 -0.200 0.000 0.799 424 E CB -0.066 29.242 29.700 -0.654 0.000 0.752 424 E HN 0.780 nan 8.360 nan 0.000 0.449 425 E N -0.311 119.706 120.200 -0.306 0.000 2.267 425 E HA -0.159 4.192 4.350 0.002 0.000 0.197 425 E C 1.274 177.708 176.600 -0.278 0.000 0.998 425 E CA 0.675 56.829 56.400 -0.411 0.000 0.830 425 E CB -0.271 28.733 29.700 -1.160 0.000 0.751 425 E HN 0.335 nan 8.360 nan 0.000 0.491 426 F N -0.224 119.673 119.950 -0.089 0.000 2.668 426 F HA 0.318 4.846 4.527 0.001 0.000 0.297 426 F C 1.183 177.072 175.800 0.148 0.000 1.124 426 F CA 0.206 58.285 58.000 0.132 0.000 1.353 426 F CB 0.922 39.994 39.000 0.121 0.000 0.992 426 F HN 0.004 nan 8.300 nan 0.000 0.524 427 G N 0.089 108.985 108.800 0.160 0.000 2.157 427 G HA2 -0.166 3.795 3.960 0.002 0.000 0.118 427 G HA3 -0.166 3.795 3.960 0.002 0.000 0.118 427 G C 0.423 175.284 174.900 -0.064 0.000 1.032 427 G CA -0.318 44.806 45.100 0.039 0.000 0.697 427 G HN 0.323 nan 8.290 nan 0.000 0.495 428 L N -1.532 119.646 121.223 -0.075 0.000 4.291 428 L HA -0.257 4.084 4.340 0.002 0.000 0.413 428 L C 2.219 178.980 176.870 -0.181 0.000 1.162 428 L CA 0.865 55.611 54.840 -0.156 0.000 0.961 428 L CB -1.794 40.139 42.059 -0.209 0.000 2.095 428 L HN 0.431 nan 8.230 nan 0.000 0.838 429 L N -0.623 120.536 121.223 -0.108 0.000 2.046 429 L HA -0.124 4.216 4.340 0.002 0.000 0.208 429 L C 2.540 179.308 176.870 -0.170 0.000 1.077 429 L CA 1.981 56.741 54.840 -0.133 0.000 0.747 429 L CB -0.713 41.318 42.059 -0.047 0.000 0.896 429 L HN 0.563 nan 8.230 nan 0.000 0.432 430 G N 0.462 109.210 108.800 -0.087 0.000 2.484 430 G HA2 -0.305 3.656 3.960 0.002 0.000 0.215 430 G HA3 -0.305 3.656 3.960 0.002 0.000 0.215 430 G C 1.818 176.635 174.900 -0.139 0.000 1.219 430 G CA 1.186 46.286 45.100 0.001 0.000 0.791 430 G HN 0.487 nan 8.290 nan 0.000 0.550 431 S N 0.149 115.565 115.700 -0.474 0.000 2.383 431 S HA -0.164 4.307 4.470 0.002 0.000 0.229 431 S C 2.240 176.457 174.600 -0.639 0.000 1.030 431 S CA 2.303 59.815 58.200 -1.147 0.000 1.002 431 S CB -0.995 61.294 63.200 -1.519 0.000 0.829 431 S HN 0.311 nan 8.310 nan 0.000 0.467 432 T N 2.436 116.688 114.554 -0.503 0.000 2.643 432 T HA -0.065 4.286 4.350 0.002 0.000 0.264 432 T C 1.838 176.275 174.700 -0.439 0.000 1.045 432 T CA 1.535 63.350 62.100 -0.474 0.000 1.155 432 T CB -0.460 68.158 68.868 -0.417 0.000 0.863 432 T HN 0.437 nan 8.240 nan 0.000 0.420 433 E N 0.088 120.009 120.200 -0.464 0.000 2.118 433 E HA -0.160 4.191 4.350 0.002 0.000 0.195 433 E C 1.829 178.128 176.600 -0.503 0.000 0.992 433 E CA 0.946 56.994 56.400 -0.586 0.000 0.804 433 E CB -0.394 28.738 29.700 -0.947 0.000 0.741 433 E HN 0.656 nan 8.360 nan 0.000 0.458 434 W N 1.520 122.522 121.300 -0.497 0.000 2.358 434 W HA -0.144 4.517 4.660 0.001 0.000 0.303 434 W C 2.469 178.920 176.519 -0.113 0.000 1.208 434 W CA 2.317 59.596 57.345 -0.110 0.000 1.274 434 W CB -0.302 29.273 29.460 0.192 0.000 1.138 434 W HN 0.069 nan 8.180 nan 0.000 0.515 435 A N 0.066 122.760 122.820 -0.209 0.000 1.902 435 A HA -0.218 4.103 4.320 0.002 0.000 0.217 435 A C 1.803 179.167 177.584 -0.368 0.000 1.181 435 A CA 1.833 53.642 52.037 -0.381 0.000 0.623 435 A CB -0.839 17.794 19.000 -0.612 0.000 0.818 435 A HN 0.454 nan 8.150 nan 0.000 0.443 436 E N -0.753 119.237 120.200 -0.350 0.000 2.204 436 E HA -0.218 4.133 4.350 0.002 0.000 0.195 436 E C 1.946 178.408 176.600 -0.230 0.000 0.990 436 E CA 1.250 57.471 56.400 -0.300 0.000 0.821 436 E CB -0.068 29.438 29.700 -0.324 0.000 0.750 436 E HN 0.844 nan 8.360 nan 0.000 0.477 437 E N 0.470 120.522 120.200 -0.248 0.000 2.170 437 E HA -0.051 4.300 4.350 0.002 0.000 0.191 437 E C 1.162 177.621 176.600 -0.235 0.000 0.981 437 E CA 0.565 56.858 56.400 -0.178 0.000 0.830 437 E CB 0.339 29.977 29.700 -0.104 0.000 0.775 437 E HN 0.093 nan 8.360 nan 0.000 0.470 438 N N 0.050 118.515 118.700 -0.392 0.000 2.235 438 N HA -0.002 4.739 4.740 0.002 0.000 0.231 438 N C 1.128 176.498 175.510 -0.233 0.000 1.177 438 N CA 0.501 53.320 53.050 -0.386 0.000 0.874 438 N CB 1.052 39.049 38.487 -0.817 0.000 1.097 438 N HN 0.099 nan 8.380 nan 0.000 0.518 439 S N 1.286 116.872 115.700 -0.191 0.000 2.387 439 S HA -0.165 4.306 4.470 0.002 0.000 0.230 439 S C 1.934 176.511 174.600 -0.039 0.000 1.035 439 S CA 0.812 58.940 58.200 -0.120 0.000 1.014 439 S CB -0.134 62.987 63.200 -0.130 0.000 0.836 439 S HN 0.243 nan 8.310 nan 0.000 0.466 440 R N 0.922 121.405 120.500 -0.029 0.000 2.075 440 R HA 0.181 4.522 4.340 0.002 0.000 0.232 440 R C 2.443 178.771 176.300 0.048 0.000 1.126 440 R CA 1.576 57.683 56.100 0.012 0.000 0.963 440 R CB -0.607 29.699 30.300 0.010 0.000 0.858 440 R HN 0.422 nan 8.270 nan 0.000 0.435 441 L N 0.308 121.563 121.223 0.054 0.000 2.093 441 L HA -0.134 4.206 4.340 0.002 0.000 0.208 441 L C 2.228 179.228 176.870 0.216 0.000 1.085 441 L CA 0.971 55.898 54.840 0.145 0.000 0.755 441 L CB -0.383 41.791 42.059 0.191 0.000 0.904 441 L HN 0.206 nan 8.230 nan 0.000 0.435 442 L N -0.197 121.132 121.223 0.176 0.000 2.027 442 L HA -0.216 4.125 4.340 0.002 0.000 0.206 442 L C 2.767 179.749 176.870 0.188 0.000 1.074 442 L CA 1.449 56.431 54.840 0.237 0.000 0.745 442 L CB -0.497 41.679 42.059 0.194 0.000 0.898 442 L HN 0.428 nan 8.230 nan 0.000 0.433 443 Q N -0.804 119.078 119.800 0.136 0.000 2.378 443 Q HA -0.091 4.250 4.340 0.002 0.000 0.205 443 Q C 1.153 177.284 176.000 0.218 0.000 0.954 443 Q CA 0.694 56.593 55.803 0.160 0.000 0.901 443 Q CB -0.078 28.736 28.738 0.127 0.000 0.981 443 Q HN 0.421 nan 8.270 nan 0.000 0.483 444 E N 0.915 121.216 120.200 0.169 0.000 2.479 444 E HA 0.088 4.438 4.350 0.002 0.000 0.193 444 E C 0.867 177.495 176.600 0.045 0.000 1.049 444 E CA 0.184 56.713 56.400 0.215 0.000 0.870 444 E CB 0.490 30.290 29.700 0.166 0.000 0.944 444 E HN 0.461 nan 8.360 nan 0.000 0.492 445 R N -0.502 119.978 120.500 -0.033 0.000 2.591 445 R HA 0.157 4.498 4.340 0.002 0.000 0.288 445 R C 0.835 177.047 176.300 -0.147 0.000 0.947 445 R CA 0.201 56.166 56.100 -0.225 0.000 1.085 445 R CB 0.976 30.961 30.300 -0.526 0.000 1.618 445 R HN -0.081 nan 8.270 nan 0.000 0.524 446 G N 0.916 109.749 108.800 0.056 0.000 2.358 446 G HA2 0.312 4.273 3.960 0.002 0.000 0.273 446 G HA3 0.312 4.273 3.960 0.002 0.000 0.273 446 G C 0.792 175.764 174.900 0.119 0.000 1.215 446 G CA -0.362 44.855 45.100 0.195 0.000 0.910 446 G HN -0.097 nan 8.290 nan 0.000 0.467 447 V N 2.533 122.527 119.914 0.134 0.000 2.341 447 V HA 0.463 4.584 4.120 0.002 0.000 0.240 447 V C 1.470 177.731 176.094 0.279 0.000 1.035 447 V CA 1.972 64.360 62.300 0.148 0.000 1.033 447 V CB -0.438 31.426 31.823 0.069 0.000 0.678 447 V HN 1.011 nan 8.190 nan 0.000 0.464 448 A N -1.606 121.368 122.820 0.256 0.000 2.608 448 A HA 0.679 5.000 4.320 0.002 0.000 0.292 448 A C -2.141 175.587 177.584 0.241 0.000 1.066 448 A CA -0.369 51.839 52.037 0.285 0.000 0.676 448 A CB 1.170 20.365 19.000 0.325 0.000 1.277 448 A HN 0.216 nan 8.150 nan 0.000 0.413 449 Y N 2.333 122.691 120.300 0.096 0.000 2.331 449 Y HA 0.661 5.212 4.550 0.001 0.000 0.334 449 Y C -1.023 174.887 175.900 0.017 0.000 0.960 449 Y CA -1.128 56.972 58.100 -0.001 0.000 1.130 449 Y CB 1.059 39.472 38.460 -0.080 0.000 1.164 449 Y HN 0.542 nan 8.280 nan 0.000 0.458 450 I N 5.380 125.645 120.570 -0.508 0.000 2.377 450 I HA 0.269 4.440 4.170 0.002 0.000 0.293 450 I C -0.244 175.486 176.117 -0.644 0.000 0.987 450 I CA -0.807 60.255 61.300 -0.396 0.000 1.185 450 I CB 1.165 39.059 38.000 -0.176 0.000 1.341 450 I HN 0.675 nan 8.210 nan 0.000 0.455 451 N N 3.842 122.376 118.700 -0.278 0.000 2.495 451 N HA 0.665 5.406 4.740 0.002 0.000 0.280 451 N C -0.434 175.106 175.510 0.049 0.000 1.168 451 N CA -0.299 52.743 53.050 -0.012 0.000 0.978 451 N CB 1.516 40.214 38.487 0.352 0.000 1.191 451 N HN 0.734 nan 8.380 nan 0.000 0.497 452 A N 1.547 124.453 122.820 0.144 0.000 3.415 452 A HA 0.203 4.524 4.320 0.002 0.000 0.244 452 A C -0.310 177.364 177.584 0.151 0.000 0.988 452 A CA -0.613 51.496 52.037 0.120 0.000 0.991 452 A CB -0.259 18.798 19.000 0.096 0.000 1.240 452 A HN 0.659 nan 8.150 nan 0.000 0.541 453 D N 0.589 121.105 120.400 0.194 0.000 2.342 453 D HA 0.265 4.906 4.640 0.002 0.000 0.284 453 D C 0.766 177.127 176.300 0.102 0.000 1.198 453 D CA -0.012 54.093 54.000 0.174 0.000 1.061 453 D CB 0.540 41.526 40.800 0.310 0.000 1.130 453 D HN 0.284 nan 8.370 nan 0.000 0.541 454 S N -0.974 114.793 115.700 0.112 0.000 2.561 454 S HA 0.029 4.500 4.470 0.002 0.000 0.294 454 S C 1.237 175.826 174.600 -0.019 0.000 1.294 454 S CA -0.091 58.138 58.200 0.048 0.000 1.055 454 S CB 0.639 63.885 63.200 0.076 0.000 0.819 454 S HN 0.371 nan 8.310 nan 0.000 0.503 455 S N 1.345 116.983 115.700 -0.103 0.000 2.441 455 S HA 0.199 4.670 4.470 0.002 0.000 0.224 455 S C 0.848 175.341 174.600 -0.178 0.000 1.043 455 S CA 0.005 58.112 58.200 -0.155 0.000 0.948 455 S CB -0.209 62.818 63.200 -0.288 0.000 0.810 455 S HN 0.798 nan 8.310 nan 0.000 0.504 456 I N 0.610 121.028 120.570 -0.253 0.000 2.608 456 I HA 0.593 4.764 4.170 0.002 0.000 0.295 456 I C -0.685 175.262 176.117 -0.284 0.000 1.049 456 I CA -0.765 60.408 61.300 -0.211 0.000 1.063 456 I CB 2.245 40.096 38.000 -0.249 0.000 1.248 456 I HN 0.158 nan 8.210 nan 0.000 0.424 457 E N 3.836 123.904 120.200 -0.220 0.000 3.521 457 E HA 0.601 4.952 4.350 0.002 0.000 0.183 457 E C -0.092 176.452 176.600 -0.093 0.000 0.981 457 E CA -0.620 55.577 56.400 -0.337 0.000 1.349 457 E CB 0.793 30.379 29.700 -0.190 0.000 1.102 457 E HN 1.162 nan 8.360 nan 0.000 0.449 458 G N 1.851 110.675 108.800 0.041 0.000 2.352 458 G HA2 0.110 4.071 3.960 0.002 0.000 0.302 458 G HA3 0.110 4.071 3.960 0.002 0.000 0.302 458 G C -1.249 173.569 174.900 -0.137 0.000 1.370 458 G CA -0.298 44.758 45.100 -0.074 0.000 0.918 458 G HN 0.177 nan 8.290 nan 0.000 0.610 459 N N -1.540 117.025 118.700 -0.226 0.000 2.475 459 N HA 0.150 4.890 4.740 0.002 0.000 0.272 459 N C 0.130 175.566 175.510 -0.123 0.000 1.482 459 N CA -0.254 52.508 53.050 -0.481 0.000 0.863 459 N CB 0.091 38.050 38.487 -0.881 0.000 1.400 459 N HN 0.532 nan 8.380 nan 0.000 0.489 460 Y N 0.561 120.828 120.300 -0.054 0.000 2.464 460 Y HA 0.444 4.995 4.550 0.002 0.000 0.288 460 Y C 0.032 175.938 175.900 0.010 0.000 1.133 460 Y CA 0.602 58.695 58.100 -0.011 0.000 1.223 460 Y CB 0.604 39.026 38.460 -0.064 0.000 1.187 460 Y HN 0.095 nan 8.280 nan 0.000 0.539 461 T N -0.564 113.753 114.554 -0.395 0.000 2.739 461 T HA 0.370 4.721 4.350 0.002 0.000 0.303 461 T C -1.885 172.022 174.700 -1.321 0.000 1.389 461 T CA -0.650 60.972 62.100 -0.797 0.000 1.001 461 T CB 0.455 68.906 68.868 -0.696 0.000 1.436 461 T HN 0.002 nan 8.240 nan 0.000 0.500 462 L N 2.483 122.893 121.223 -1.355 0.000 2.483 462 L HA 0.581 4.922 4.340 0.002 0.000 0.275 462 L C 0.356 176.769 176.870 -0.762 0.000 1.220 462 L CA 0.554 54.678 54.840 -1.194 0.000 0.833 462 L CB 0.360 41.619 42.059 -1.334 0.000 1.102 462 L HN 0.640 nan 8.230 nan 0.000 0.490 463 R N 2.859 123.000 120.500 -0.599 0.000 2.510 463 R HA 0.634 4.975 4.340 0.002 0.000 0.294 463 R C -2.206 173.919 176.300 -0.292 0.000 1.056 463 R CA -0.554 55.354 56.100 -0.319 0.000 0.918 463 R CB 1.377 31.540 30.300 -0.228 0.000 1.187 463 R HN 0.472 nan 8.270 nan 0.000 0.437 464 V N 4.091 123.891 119.914 -0.190 0.000 2.540 464 V HA 0.432 4.553 4.120 0.002 0.000 0.302 464 V C -0.957 175.083 176.094 -0.089 0.000 1.035 464 V CA -0.804 61.397 62.300 -0.166 0.000 0.873 464 V CB 2.097 33.812 31.823 -0.180 0.000 0.992 464 V HN 0.759 nan 8.190 nan 0.000 0.428 465 D N 3.421 123.733 120.400 -0.147 0.000 2.362 465 D HA 0.788 5.428 4.640 0.002 0.000 0.247 465 D C -0.385 175.755 176.300 -0.266 0.000 1.050 465 D CA -0.107 53.780 54.000 -0.189 0.000 0.839 465 D CB 2.089 42.739 40.800 -0.250 0.000 1.283 465 D HN 0.886 nan 8.370 nan 0.000 0.477 466 C N -0.996 118.150 119.300 -0.256 0.000 3.249 466 C HA 0.697 5.158 4.460 0.002 0.000 0.350 466 C C -0.066 174.685 174.990 -0.398 0.000 1.431 466 C CA -0.874 57.945 59.018 -0.331 0.000 1.209 466 C CB 1.251 28.903 27.740 -0.147 0.000 1.546 466 C HN 0.561 nan 8.230 nan 0.000 0.450 467 T N 1.200 115.477 114.554 -0.461 0.000 2.897 467 T HA 0.467 4.818 4.350 0.002 0.000 0.294 467 T C -1.435 172.910 174.700 -0.593 0.000 1.004 467 T CA -0.644 61.182 62.100 -0.455 0.000 1.106 467 T CB 0.780 69.534 68.868 -0.190 0.000 0.949 467 T HN 0.645 nan 8.240 nan 0.000 0.520 468 P HA -0.074 nan 4.420 nan 0.000 0.218 468 P C 1.186 177.917 177.300 -0.950 0.000 1.147 468 P CA 1.089 63.227 63.100 -1.603 0.000 0.827 468 P CB -0.032 30.797 31.700 -1.451 0.000 0.778 469 L N -2.689 118.238 121.223 -0.493 0.000 2.622 469 L HA 0.021 4.362 4.340 0.002 0.000 0.233 469 L C 1.982 178.848 176.870 -0.007 0.000 1.156 469 L CA 0.846 55.586 54.840 -0.167 0.000 0.866 469 L CB -0.527 41.367 42.059 -0.275 0.000 0.980 469 L HN 0.072 nan 8.230 nan 0.000 0.448 470 M N -2.971 116.580 119.600 -0.082 0.000 2.292 470 M HA 0.063 4.544 4.480 0.002 0.000 0.286 470 M C 1.376 177.764 176.300 0.146 0.000 1.002 470 M CA -0.079 55.283 55.300 0.105 0.000 1.029 470 M CB 0.525 33.182 32.600 0.094 0.000 1.537 470 M HN 0.020 nan 8.290 nan 0.000 0.543 471 Y N 0.393 120.645 120.300 -0.081 0.000 2.102 471 Y HA -0.260 4.291 4.550 0.001 0.000 0.280 471 Y C 2.668 178.383 175.900 -0.308 0.000 1.178 471 Y CA 1.404 59.372 58.100 -0.221 0.000 1.146 471 Y CB -1.488 36.828 38.460 -0.241 0.000 0.968 471 Y HN 0.196 nan 8.280 nan 0.000 0.504 472 S N 0.060 115.782 115.700 0.038 0.000 2.356 472 S HA -0.164 4.307 4.470 0.002 0.000 0.223 472 S C 2.188 176.838 174.600 0.084 0.000 1.032 472 S CA 1.228 59.447 58.200 0.031 0.000 1.005 472 S CB -0.786 62.470 63.200 0.093 0.000 0.867 472 S HN 0.472 nan 8.310 nan 0.000 0.449 473 L N 1.339 122.632 121.223 0.117 0.000 2.079 473 L HA -0.036 4.305 4.340 0.002 0.000 0.210 473 L C 2.092 179.055 176.870 0.155 0.000 1.081 473 L CA 1.479 56.398 54.840 0.131 0.000 0.752 473 L CB -0.409 41.733 42.059 0.137 0.000 0.896 473 L HN 0.104 nan 8.230 nan 0.000 0.433 474 V N -0.007 120.005 119.914 0.163 0.000 2.323 474 V HA -0.275 3.846 4.120 0.002 0.000 0.244 474 V C 2.378 178.711 176.094 0.399 0.000 1.041 474 V CA 2.119 64.556 62.300 0.229 0.000 1.025 474 V CB -0.765 31.189 31.823 0.218 0.000 0.656 474 V HN 0.644 nan 8.190 nan 0.000 0.451 475 H N 0.131 119.390 119.070 0.315 0.000 2.289 475 H HA -0.212 4.345 4.556 0.001 0.000 0.296 475 H C 2.331 177.765 175.328 0.177 0.000 1.091 475 H CA 1.627 57.876 56.048 0.336 0.000 1.274 475 H CB -0.153 29.753 29.762 0.240 0.000 1.364 475 H HN 0.387 nan 8.280 nan 0.000 0.490 476 N N 0.740 119.577 118.700 0.229 0.000 2.094 476 N HA -0.150 4.591 4.740 0.002 0.000 0.191 476 N C 1.949 177.541 175.510 0.137 0.000 1.023 476 N CA 0.930 54.057 53.050 0.129 0.000 0.857 476 N CB -0.449 38.099 38.487 0.102 0.000 1.013 476 N HN 0.214 nan 8.380 nan 0.000 0.426 477 L N 0.714 122.036 121.223 0.166 0.000 2.109 477 L HA -0.053 4.288 4.340 0.002 0.000 0.207 477 L C 2.199 179.159 176.870 0.151 0.000 1.086 477 L CA 1.725 56.649 54.840 0.140 0.000 0.760 477 L CB -1.216 40.924 42.059 0.135 0.000 0.910 477 L HN 0.360 nan 8.230 nan 0.000 0.437 478 T N -3.675 111.013 114.554 0.222 0.000 2.904 478 T HA -0.171 4.180 4.350 0.002 0.000 0.267 478 T C 1.877 176.730 174.700 0.254 0.000 1.059 478 T CA 1.147 63.392 62.100 0.241 0.000 1.137 478 T CB -0.485 68.600 68.868 0.362 0.000 0.879 478 T HN 0.323 nan 8.240 nan 0.000 0.467 479 K N 1.007 121.554 120.400 0.246 0.000 2.281 479 K HA -0.023 4.297 4.320 0.002 0.000 0.203 479 K C 1.757 178.410 176.600 0.089 0.000 1.046 479 K CA 1.011 57.379 56.287 0.135 0.000 0.938 479 K CB 0.022 32.510 32.500 -0.020 0.000 0.737 479 K HN 0.463 nan 8.250 nan 0.000 0.458 480 E N 0.446 120.697 120.200 0.085 0.000 2.451 480 E HA 0.142 4.493 4.350 0.002 0.000 0.194 480 E C -0.259 176.369 176.600 0.047 0.000 1.027 480 E CA 0.155 56.587 56.400 0.054 0.000 0.914 480 E CB 0.353 30.079 29.700 0.044 0.000 1.054 480 E HN 0.220 nan 8.360 nan 0.000 0.461 481 L N 0.586 121.848 121.223 0.065 0.000 2.388 481 L HA 0.400 4.741 4.340 0.002 0.000 0.264 481 L C -0.031 176.869 176.870 0.050 0.000 0.998 481 L CA -0.912 53.954 54.840 0.044 0.000 0.817 481 L CB 2.347 44.434 42.059 0.046 0.000 1.338 481 L HN -0.279 nan 8.230 nan 0.000 0.414 482 K N 1.329 121.744 120.400 0.025 0.000 2.339 482 K HA 0.190 4.511 4.320 0.002 0.000 0.286 482 K C 0.057 176.677 176.600 0.033 0.000 1.050 482 K CA -0.096 56.209 56.287 0.030 0.000 0.956 482 K CB 1.362 33.864 32.500 0.003 0.000 0.990 482 K HN 0.494 nan 8.250 nan 0.000 0.475 483 S N 3.327 119.064 115.700 0.062 0.000 2.560 483 S HA 0.107 4.578 4.470 0.002 0.000 0.284 483 S C -1.743 172.865 174.600 0.013 0.000 1.327 483 S CA -0.992 57.238 58.200 0.049 0.000 1.055 483 S CB 0.423 63.653 63.200 0.050 0.000 0.868 483 S HN 0.480 nan 8.310 nan 0.000 0.506 484 P HA 0.363 nan 4.420 nan 0.000 0.289 484 P C -1.188 176.019 177.300 -0.156 0.000 1.599 484 P CA -0.388 62.608 63.100 -0.172 0.000 1.239 484 P CB 0.035 31.506 31.700 -0.382 0.000 1.581 485 D N 0.386 120.809 120.400 0.039 0.000 2.390 485 D HA 0.055 4.695 4.640 0.002 0.000 0.249 485 D C 0.284 176.723 176.300 0.231 0.000 1.144 485 D CA 0.249 54.353 54.000 0.174 0.000 0.880 485 D CB 0.455 41.319 40.800 0.107 0.000 1.182 485 D HN -0.087 nan 8.370 nan 0.000 0.451 486 E N 0.902 121.230 120.200 0.213 0.000 2.868 486 E HA 0.314 4.665 4.350 0.002 0.000 0.246 486 E C 1.520 178.275 176.600 0.260 0.000 0.962 486 E CA 0.560 57.071 56.400 0.185 0.000 0.955 486 E CB -0.026 29.773 29.700 0.166 0.000 0.903 486 E HN 0.780 nan 8.360 nan 0.000 0.524 487 G N 1.779 110.683 108.800 0.174 0.000 2.175 487 G HA2 -0.316 3.645 3.960 0.002 0.000 0.244 487 G HA3 -0.316 3.645 3.960 0.002 0.000 0.244 487 G C 0.456 175.305 174.900 -0.085 0.000 0.982 487 G CA 0.161 45.300 45.100 0.067 0.000 0.641 487 G HN 0.625 nan 8.290 nan 0.000 0.527 488 F N 1.633 121.607 119.950 0.039 0.000 2.781 488 F HA 0.274 4.802 4.527 0.002 0.000 0.322 488 F C 1.112 176.925 175.800 0.022 0.000 1.108 488 F CA -0.158 57.863 58.000 0.035 0.000 1.179 488 F CB 0.452 39.480 39.000 0.047 0.000 1.072 488 F HN 0.168 nan 8.300 nan 0.000 0.545 489 E N 1.355 121.654 120.200 0.165 0.000 2.829 489 E HA 0.017 4.367 4.350 0.002 0.000 0.264 489 E C 1.198 177.837 176.600 0.065 0.000 0.922 489 E CA 1.210 57.658 56.400 0.079 0.000 0.960 489 E CB 0.145 29.868 29.700 0.038 0.000 0.918 489 E HN 0.511 nan 8.360 nan 0.000 0.497 490 G N 2.877 111.710 108.800 0.055 0.000 2.579 490 G HA2 -0.320 3.641 3.960 0.002 0.000 0.222 490 G HA3 -0.320 3.641 3.960 0.002 0.000 0.222 490 G C 0.164 175.106 174.900 0.071 0.000 1.201 490 G CA 0.340 45.466 45.100 0.044 0.000 0.710 490 G HN 0.708 nan 8.290 nan 0.000 0.516 491 K N 1.121 121.595 120.400 0.123 0.000 2.126 491 K HA 0.698 5.019 4.320 0.002 0.000 0.257 491 K C 1.027 177.725 176.600 0.164 0.000 1.007 491 K CA 0.103 56.489 56.287 0.165 0.000 0.928 491 K CB 1.386 34.037 32.500 0.252 0.000 1.013 491 K HN 1.475 nan 8.250 nan 0.000 0.473 492 S N 0.562 116.352 115.700 0.150 0.000 2.584 492 S HA 0.052 4.523 4.470 0.002 0.000 0.270 492 S C 1.194 175.884 174.600 0.150 0.000 1.346 492 S CA -0.391 57.894 58.200 0.141 0.000 1.018 492 S CB 0.290 63.582 63.200 0.154 0.000 0.899 492 S HN 0.597 nan 8.310 nan 0.000 0.542 493 L N 2.363 123.666 121.223 0.133 0.000 2.131 493 L HA 0.009 4.350 4.340 0.002 0.000 0.210 493 L C 2.007 178.994 176.870 0.195 0.000 1.092 493 L CA 1.813 56.726 54.840 0.121 0.000 0.759 493 L CB -1.527 40.588 42.059 0.093 0.000 0.903 493 L HN 0.911 nan 8.230 nan 0.000 0.435 494 Y N 0.945 121.334 120.300 0.148 0.000 2.128 494 Y HA -0.281 4.270 4.550 0.002 0.000 0.284 494 Y C 2.537 178.470 175.900 0.054 0.000 1.154 494 Y CA 3.144 61.341 58.100 0.161 0.000 1.149 494 Y CB -0.650 37.861 38.460 0.085 0.000 0.976 494 Y HN 0.384 nan 8.280 nan 0.000 0.505 495 E N 0.181 120.520 120.200 0.232 0.000 2.021 495 E HA -0.284 4.067 4.350 0.002 0.000 0.200 495 E C 2.209 178.811 176.600 0.004 0.000 1.015 495 E CA 2.549 59.041 56.400 0.154 0.000 0.824 495 E CB -1.543 28.296 29.700 0.232 0.000 0.762 495 E HN 0.684 nan 8.360 nan 0.000 0.454 496 S N -0.569 115.066 115.700 -0.108 0.000 2.383 496 S HA -0.176 4.295 4.470 0.002 0.000 0.229 496 S C 1.991 176.365 174.600 -0.376 0.000 1.030 496 S CA 1.542 59.368 58.200 -0.624 0.000 1.002 496 S CB -0.655 61.988 63.200 -0.928 0.000 0.829 496 S HN 0.780 nan 8.310 nan 0.000 0.467 497 W N 2.964 124.013 121.300 -0.420 0.000 2.409 497 W HA 0.025 4.686 4.660 0.002 0.000 0.299 497 W C 2.126 178.386 176.519 -0.432 0.000 1.203 497 W CA 1.462 58.544 57.345 -0.437 0.000 1.298 497 W CB -1.162 28.067 29.460 -0.386 0.000 1.127 497 W HN 0.252 nan 8.180 nan 0.000 0.528 498 T N 1.274 115.456 114.554 -0.620 0.000 2.708 498 T HA -0.202 4.148 4.350 0.002 0.000 0.266 498 T C 2.200 176.660 174.700 -0.400 0.000 1.037 498 T CA 3.160 64.818 62.100 -0.737 0.000 1.146 498 T CB -0.864 67.550 68.868 -0.756 0.000 0.865 498 T HN 0.238 nan 8.240 nan 0.000 0.435 499 K N 1.756 122.021 120.400 -0.224 0.000 2.044 499 K HA -0.120 4.201 4.320 0.002 0.000 0.210 499 K C 2.043 178.579 176.600 -0.107 0.000 1.049 499 K CA 1.953 58.192 56.287 -0.080 0.000 0.927 499 K CB -0.807 31.762 32.500 0.115 0.000 0.713 499 K HN 0.425 nan 8.250 nan 0.000 0.443 500 K N -0.703 119.578 120.400 -0.200 0.000 2.459 500 K HA 0.104 4.425 4.320 0.002 0.000 0.193 500 K C 0.467 176.956 176.600 -0.184 0.000 1.030 500 K CA 0.701 56.861 56.287 -0.212 0.000 1.026 500 K CB 0.345 32.550 32.500 -0.492 0.000 0.809 500 K HN 0.267 nan 8.250 nan 0.000 0.504 501 S N 1.020 116.589 115.700 -0.218 0.000 2.645 501 S HA 0.172 4.643 4.470 0.002 0.000 0.168 501 S C -2.935 171.499 174.600 -0.277 0.000 0.988 501 S CA -1.037 57.040 58.200 -0.204 0.000 1.132 501 S CB 0.430 63.520 63.200 -0.183 0.000 1.691 501 S HN -0.058 nan 8.310 nan 0.000 0.457 502 P HA 0.322 nan 4.420 nan 0.000 0.290 502 P C -0.134 177.048 177.300 -0.197 0.000 1.275 502 P CA -0.277 62.672 63.100 -0.252 0.000 0.841 502 P CB 1.506 33.102 31.700 -0.173 0.000 1.042 503 S N 3.382 118.948 115.700 -0.224 0.000 2.549 503 S HA 0.130 4.601 4.470 0.002 0.000 0.286 503 S C -1.347 173.195 174.600 -0.096 0.000 1.314 503 S CA -0.539 57.563 58.200 -0.163 0.000 1.062 503 S CB -0.417 62.681 63.200 -0.170 0.000 0.865 503 S HN 0.246 nan 8.310 nan 0.000 0.498 504 P HA -0.075 nan 4.420 nan 0.000 0.211 504 P C 1.779 179.068 177.300 -0.019 0.000 1.181 504 P CA 2.348 65.432 63.100 -0.027 0.000 0.929 504 P CB -0.494 31.204 31.700 -0.004 0.000 0.789 505 E N -1.192 119.002 120.200 -0.010 0.000 2.413 505 E HA -0.061 4.290 4.350 0.002 0.000 0.206 505 E C 0.864 177.457 176.600 -0.011 0.000 1.047 505 E CA 1.405 57.806 56.400 0.001 0.000 0.859 505 E CB -2.106 nan 29.700 nan 0.000 0.771 505 E HN 0.438 nan 8.360 nan 0.000 0.527 506 F N -3.156 116.773 119.950 -0.034 0.000 2.183 506 F HA 0.175 4.703 4.527 0.002 0.000 0.318 506 F C 1.794 177.573 175.800 -0.034 0.000 0.517 506 F CA 0.773 58.753 58.000 -0.034 0.000 0.912 506 F CB -1.541 nan 39.000 nan 0.000 4.135 506 F HN 1.072 nan 8.300 nan 0.000 0.137 507 S N 0.073 115.757 115.700 -0.027 0.000 2.289 507 S HA 0.530 5.001 4.470 0.002 0.000 0.193 507 S C 2.446 177.010 174.600 -0.061 0.000 1.002 507 S CA 0.955 59.135 58.200 -0.033 0.000 0.951 507 S CB -0.825 nan 63.200 nan 0.000 0.920 507 S HN 2.649 nan 8.310 nan 0.000 0.502 508 G N 1.683 110.455 108.800 -0.048 0.000 3.574 508 G HA2 0.488 4.449 3.960 0.002 0.000 0.262 508 G HA3 0.488 4.449 3.960 0.002 0.000 0.262 508 G C -0.103 174.736 174.900 -0.101 0.000 1.231 508 G CA -0.165 44.901 45.100 -0.056 0.000 1.608 508 G HN 0.283 nan 8.290 nan 0.000 0.628 509 M N 1.514 120.994 119.600 -0.200 0.000 2.263 509 M HA 0.339 4.820 4.480 0.002 0.000 0.295 509 M C -2.727 173.261 176.300 -0.520 0.000 1.028 509 M CA -2.873 52.237 55.300 -0.316 0.000 0.921 509 M CB 2.536 35.029 32.600 -0.178 0.000 1.601 509 M HN -0.086 nan 8.290 nan 0.000 0.440 510 P HA 0.127 nan 4.420 nan 0.000 0.269 510 P C -0.449 176.392 177.300 -0.765 0.000 1.209 510 P CA -0.225 62.126 63.100 -1.247 0.000 0.776 510 P CB 0.891 31.038 31.700 -2.588 0.000 0.876 511 R N 3.148 123.336 120.500 -0.519 0.000 2.543 511 R HA 0.383 4.724 4.340 0.002 0.000 0.277 511 R C -0.563 175.681 176.300 -0.094 0.000 1.074 511 R CA -0.206 55.753 56.100 -0.236 0.000 1.076 511 R CB -0.002 30.215 30.300 -0.138 0.000 0.993 511 R HN 0.474 nan 8.270 nan 0.000 0.459 512 I N 1.968 122.485 120.570 -0.088 0.000 2.582 512 I HA 0.208 4.379 4.170 0.002 0.000 0.292 512 I C -0.329 175.767 176.117 -0.034 0.000 1.066 512 I CA -0.720 60.574 61.300 -0.010 0.000 1.053 512 I CB 2.475 40.413 38.000 -0.103 0.000 1.241 512 I HN 0.598 nan 8.210 nan 0.000 0.421 513 S N 4.025 119.713 115.700 -0.021 0.000 2.690 513 S HA 0.472 4.943 4.470 0.002 0.000 0.291 513 S C 0.001 174.561 174.600 -0.068 0.000 1.138 513 S CA -0.866 57.317 58.200 -0.028 0.000 1.013 513 S CB 1.532 64.714 63.200 -0.030 0.000 1.053 513 S HN 0.401 nan 8.310 nan 0.000 0.539 514 K N 0.504 120.868 120.400 -0.060 0.000 2.202 514 K HA 0.316 4.636 4.320 0.002 0.000 0.238 514 K C -0.642 175.784 176.600 -0.289 0.000 1.070 514 K CA -0.052 56.123 56.287 -0.186 0.000 0.859 514 K CB 0.146 32.607 32.500 -0.065 0.000 1.140 514 K HN 0.405 nan 8.250 nan 0.000 0.515 515 L N 0.408 121.376 121.223 -0.424 0.000 2.356 515 L HA 0.310 4.651 4.340 0.002 0.000 0.277 515 L C 0.491 177.316 176.870 -0.075 0.000 0.996 515 L CA -0.459 54.169 54.840 -0.353 0.000 0.822 515 L CB 1.883 43.508 42.059 -0.722 0.000 1.256 515 L HN 0.859 nan 8.230 nan 0.000 0.413 516 G N 1.128 109.981 108.800 0.089 0.000 3.441 516 G HA2 0.439 4.400 3.960 0.002 0.000 0.195 516 G HA3 0.439 4.400 3.960 0.002 0.000 0.195 516 G C -0.219 174.751 174.900 0.115 0.000 1.633 516 G CA 0.217 45.342 45.100 0.041 0.000 0.895 516 G HN 0.507 nan 8.290 nan 0.000 0.654 517 S N -3.154 112.546 115.700 0.001 0.000 3.081 517 S HA 0.566 5.037 4.470 0.002 0.000 0.316 517 S C 0.714 175.272 174.600 -0.070 0.000 1.089 517 S CA 0.705 58.823 58.200 -0.137 0.000 0.897 517 S CB 0.879 63.962 63.200 -0.196 0.000 1.358 517 S HN 2.206 nan 8.310 nan 0.000 0.678 518 G N 1.068 109.764 108.800 -0.174 0.000 2.163 518 G HA2 -0.064 3.897 3.960 0.002 0.000 0.213 518 G HA3 -0.064 3.897 3.960 0.002 0.000 0.213 518 G C -0.157 174.762 174.900 0.032 0.000 0.991 518 G CA 0.281 45.409 45.100 0.047 0.000 0.653 518 G HN 0.833 nan 8.290 nan 0.000 0.518 519 N N -1.302 117.282 118.700 -0.194 0.000 3.465 519 N HA 0.115 4.856 4.740 0.002 0.000 0.244 519 N C -0.770 174.563 175.510 -0.296 0.000 1.454 519 N CA -0.166 52.832 53.050 -0.087 0.000 0.865 519 N CB 0.240 38.840 38.487 0.189 0.000 1.439 519 N HN -0.167 nan 8.380 nan 0.000 0.480 520 D N 0.325 120.737 120.400 0.020 0.000 2.371 520 D HA 0.002 4.643 4.640 0.002 0.000 0.221 520 D C 1.541 177.862 176.300 0.035 0.000 0.986 520 D CA 0.641 54.643 54.000 0.003 0.000 0.899 520 D CB -0.108 40.803 40.800 0.186 0.000 0.902 520 D HN 0.445 nan 8.370 nan 0.000 0.530 521 F N 0.537 120.638 119.950 0.251 0.000 2.604 521 F HA 0.130 4.658 4.527 0.002 0.000 0.298 521 F C 1.874 177.762 175.800 0.146 0.000 1.131 521 F CA 0.151 58.264 58.000 0.189 0.000 1.457 521 F CB -0.519 38.694 39.000 0.354 0.000 1.095 521 F HN -0.160 nan 8.300 nan 0.000 0.574 522 E N 1.238 121.106 120.200 -0.553 0.000 2.077 522 E HA -0.201 4.150 4.350 0.002 0.000 0.193 522 E C 2.300 178.864 176.600 -0.060 0.000 0.989 522 E CA 1.504 57.713 56.400 -0.319 0.000 0.800 522 E CB -0.339 29.124 29.700 -0.396 0.000 0.746 522 E HN 0.368 nan 8.360 nan 0.000 0.452 523 V N 0.296 120.079 119.914 -0.219 0.000 2.332 523 V HA -0.251 3.870 4.120 0.002 0.000 0.248 523 V C 1.984 177.948 176.094 -0.216 0.000 1.055 523 V CA 1.974 64.081 62.300 -0.322 0.000 1.038 523 V CB -0.539 30.919 31.823 -0.608 0.000 0.651 523 V HN 0.315 nan 8.190 nan 0.000 0.450 524 F N -1.176 118.732 119.950 -0.070 0.000 2.234 524 F HA -0.072 4.455 4.527 0.001 0.000 0.299 524 F C 1.958 177.878 175.800 0.200 0.000 1.087 524 F CA 2.083 60.087 58.000 0.007 0.000 1.340 524 F CB -0.517 38.369 39.000 -0.190 0.000 1.031 524 F HN 0.279 nan 8.300 nan 0.000 0.500 525 F N 0.315 120.427 119.950 0.269 0.000 2.315 525 F HA 0.017 4.544 4.527 0.001 0.000 0.284 525 F C 2.346 178.283 175.800 0.227 0.000 1.049 525 F CA 0.920 59.070 58.000 0.250 0.000 1.323 525 F CB -0.490 38.657 39.000 0.246 0.000 1.113 525 F HN -0.253 nan 8.300 nan 0.000 0.544 526 Q N 0.110 120.045 119.800 0.224 0.000 2.187 526 Q HA -0.086 4.255 4.340 0.002 0.000 0.199 526 Q C 2.237 178.318 176.000 0.135 0.000 0.957 526 Q CA 1.106 56.984 55.803 0.125 0.000 0.857 526 Q CB -0.286 28.548 28.738 0.160 0.000 0.929 526 Q HN 0.423 nan 8.270 nan 0.000 0.453 527 R N 0.058 120.618 120.500 0.101 0.000 2.103 527 R HA 0.153 4.494 4.340 0.002 0.000 0.212 527 R C 2.164 178.480 176.300 0.026 0.000 1.107 527 R CA 0.190 56.330 56.100 0.066 0.000 1.025 527 R CB 0.298 30.607 30.300 0.015 0.000 0.929 527 R HN 0.154 nan 8.270 nan 0.000 0.456 528 L N -0.815 120.421 121.223 0.021 0.000 2.307 528 L HA 0.248 4.589 4.340 0.002 0.000 0.211 528 L C 1.100 178.014 176.870 0.074 0.000 1.099 528 L CA 0.737 55.600 54.840 0.039 0.000 0.816 528 L CB 0.194 42.277 42.059 0.041 0.000 0.952 528 L HN 0.567 nan 8.230 nan 0.000 0.455 529 G N 1.278 110.126 108.800 0.080 0.000 2.137 529 G HA2 -0.259 3.702 3.960 0.002 0.000 0.237 529 G HA3 -0.259 3.702 3.960 0.002 0.000 0.237 529 G C 0.150 175.153 174.900 0.171 0.000 1.002 529 G CA -0.263 44.878 45.100 0.069 0.000 0.702 529 G HN 0.263 nan 8.290 nan 0.000 0.515 530 I N 1.433 122.159 120.570 0.261 0.000 2.416 530 I HA 0.445 4.616 4.170 0.002 0.000 0.288 530 I C 1.306 177.676 176.117 0.422 0.000 1.051 530 I CA -0.197 61.294 61.300 0.318 0.000 1.375 530 I CB 1.302 39.527 38.000 0.375 0.000 1.407 530 I HN 0.345 nan 8.210 nan 0.000 0.516 531 A N 5.644 128.647 122.820 0.305 0.000 2.553 531 A HA 0.220 4.540 4.320 0.002 0.000 0.258 531 A C 0.258 177.990 177.584 0.246 0.000 1.069 531 A CA 0.408 52.598 52.037 0.255 0.000 0.767 531 A CB -0.193 18.739 19.000 -0.113 0.000 0.997 531 A HN 0.704 nan 8.150 nan 0.000 0.512 532 S N 0.736 116.520 115.700 0.141 0.000 2.568 532 S HA 0.901 5.372 4.470 0.002 0.000 0.302 532 S C 0.310 174.778 174.600 -0.220 0.000 1.082 532 S CA 0.032 58.248 58.200 0.027 0.000 1.009 532 S CB 2.028 65.278 63.200 0.083 0.000 1.069 532 S HN 1.486 nan 8.310 nan 0.000 0.500 533 G N 0.965 109.678 108.800 -0.144 0.000 2.646 533 G HA2 0.707 4.668 3.960 0.002 0.000 0.291 533 G HA3 0.707 4.668 3.960 0.002 0.000 0.291 533 G C -1.814 172.975 174.900 -0.184 0.000 1.445 533 G CA -0.931 44.033 45.100 -0.225 0.000 0.814 533 G HN 0.755 nan 8.290 nan 0.000 0.495 534 R N -0.910 119.469 120.500 -0.202 0.000 2.739 534 R HA 0.872 5.213 4.340 0.002 0.000 0.271 534 R C -1.385 174.835 176.300 -0.135 0.000 1.010 534 R CA -0.838 55.179 56.100 -0.138 0.000 0.897 534 R CB 1.825 32.045 30.300 -0.132 0.000 1.236 534 R HN 1.541 nan 8.270 nan 0.000 0.466 535 A N 1.918 124.673 122.820 -0.108 0.000 2.520 535 A HA 0.800 5.121 4.320 0.002 0.000 0.298 535 A C -1.274 176.241 177.584 -0.114 0.000 1.051 535 A CA -0.870 51.076 52.037 -0.151 0.000 0.690 535 A CB 1.807 20.699 19.000 -0.181 0.000 1.281 535 A HN 0.959 nan 8.150 nan 0.000 0.402 536 R N 0.808 121.215 120.500 -0.154 0.000 2.712 536 R HA 0.355 4.696 4.340 0.002 0.000 0.272 536 R C -2.179 174.043 176.300 -0.131 0.000 1.032 536 R CA -0.686 55.356 56.100 -0.096 0.000 0.874 536 R CB 0.172 30.430 30.300 -0.071 0.000 1.256 536 R HN 0.565 nan 8.270 nan 0.000 0.468 537 Y N 0.048 120.235 120.300 -0.188 0.000 2.304 537 Y HA 0.454 5.005 4.550 0.001 0.000 0.328 537 Y C 0.645 176.434 175.900 -0.185 0.000 1.123 537 Y CA 0.863 58.846 58.100 -0.196 0.000 1.218 537 Y CB 1.830 40.172 38.460 -0.197 0.000 1.207 537 Y HN 0.700 nan 8.280 nan 0.000 0.495 538 T N 3.582 118.045 114.554 -0.151 0.000 2.910 538 T HA 0.389 4.739 4.350 0.002 0.000 0.287 538 T C -1.010 173.678 174.700 -0.021 0.000 1.050 538 T CA -1.059 60.983 62.100 -0.097 0.000 1.011 538 T CB 0.790 69.580 68.868 -0.130 0.000 1.195 538 T HN 0.620 nan 8.240 nan 0.000 0.540 539 K N 2.074 122.465 120.400 -0.014 0.000 2.126 539 K HA 0.347 4.668 4.320 0.002 0.000 0.257 539 K C 0.607 177.257 176.600 0.084 0.000 1.007 539 K CA -0.774 55.515 56.287 0.004 0.000 0.928 539 K CB 0.478 32.959 32.500 -0.032 0.000 1.013 539 K HN 0.457 nan 8.250 nan 0.000 0.473 547 S N 0.679 116.396 115.700 0.028 0.000 2.419 547 S HA 0.256 4.727 4.470 0.002 0.000 0.233 547 S C 1.204 175.760 174.600 -0.074 0.000 1.016 547 S CA 1.336 59.525 58.200 -0.018 0.000 0.974 547 S CB -0.515 62.579 63.200 -0.177 0.000 0.786 547 S HN 0.773 nan 8.310 nan 0.000 0.492 548 G N 0.585 109.261 108.800 -0.205 0.000 2.582 548 G HA2 -0.135 3.826 3.960 0.002 0.000 0.222 548 G HA3 -0.135 3.826 3.960 0.002 0.000 0.222 548 G C -0.593 174.266 174.900 -0.068 0.000 1.311 548 G CA -0.404 44.480 45.100 -0.360 0.000 0.915 548 G HN 0.544 nan 8.290 nan 0.000 0.528 549 Y N -1.851 118.448 120.300 -0.002 0.000 2.488 549 Y HA 0.755 5.306 4.550 0.002 0.000 0.325 549 Y C -1.305 174.812 175.900 0.361 0.000 1.204 549 Y CA -1.888 56.303 58.100 0.151 0.000 1.229 549 Y CB 0.603 39.134 38.460 0.118 0.000 1.274 549 Y HN 0.328 nan 8.280 nan 0.000 0.493 550 P HA -0.144 nan 4.420 nan 0.000 0.215 550 P C 0.764 178.289 177.300 0.374 0.000 1.157 550 P CA 1.626 65.055 63.100 0.549 0.000 0.868 550 P CB 0.203 32.169 31.700 0.443 0.000 0.788 551 L N -2.418 119.046 121.223 0.402 0.000 2.672 551 L HA 0.122 4.463 4.340 0.002 0.000 0.236 551 L C 0.649 177.611 176.870 0.153 0.000 1.186 551 L CA -0.752 54.264 54.840 0.292 0.000 0.977 551 L CB -1.156 41.109 42.059 0.344 0.000 1.203 551 L HN -0.030 nan 8.230 nan 0.000 0.448 552 Y N 1.713 121.811 120.300 -0.337 0.000 2.650 552 Y HA -0.080 4.471 4.550 0.002 0.000 0.331 552 Y C 1.006 176.770 175.900 -0.225 0.000 1.165 552 Y CA 0.031 57.755 58.100 -0.628 0.000 1.473 552 Y CB -0.571 37.201 38.460 -1.146 0.000 1.224 552 Y HN 0.231 nan 8.280 nan 0.000 0.533 553 H N 2.885 121.607 119.070 -0.581 0.000 2.826 553 H HA -0.178 4.379 4.556 0.002 0.000 0.306 553 H C -0.245 174.851 175.328 -0.387 0.000 1.235 553 H CA 0.362 56.081 56.048 -0.549 0.000 1.150 553 H CB -1.188 27.984 29.762 -0.984 0.000 1.409 553 H HN 0.658 nan 8.280 nan 0.000 0.420 554 S N -1.610 114.025 115.700 -0.108 0.000 2.661 554 S HA 0.426 4.897 4.470 0.002 0.000 0.285 554 S C 0.750 175.248 174.600 -0.170 0.000 1.138 554 S CA -0.354 57.754 58.200 -0.153 0.000 0.855 554 S CB 2.128 65.269 63.200 -0.098 0.000 1.136 554 S HN 0.028 nan 8.310 nan 0.000 0.484 555 V N 1.009 120.709 119.914 -0.357 0.000 2.688 555 V HA -0.108 4.013 4.120 0.002 0.000 0.256 555 V C 1.339 177.237 176.094 -0.326 0.000 1.084 555 V CA 1.729 63.807 62.300 -0.369 0.000 1.103 555 V CB -1.172 30.387 31.823 -0.440 0.000 0.688 555 V HN 0.850 nan 8.190 nan 0.000 0.480 556 Y N 0.173 120.459 120.300 -0.023 0.000 2.516 556 Y HA 0.172 4.723 4.550 0.001 0.000 0.291 556 Y C 1.501 177.229 175.900 -0.287 0.000 1.131 556 Y CA -0.368 57.595 58.100 -0.228 0.000 1.281 556 Y CB -0.404 37.905 38.460 -0.251 0.000 1.013 556 Y HN 0.307 nan 8.280 nan 0.000 0.554 557 E N 2.023 122.255 120.200 0.053 0.000 2.311 557 E HA 0.024 4.375 4.350 0.002 0.000 0.247 557 E C 0.266 176.937 176.600 0.117 0.000 1.215 557 E CA 0.296 56.762 56.400 0.111 0.000 0.957 557 E CB -0.055 29.762 29.700 0.196 0.000 1.020 557 E HN 0.273 nan 8.360 nan 0.000 0.461 558 T N -0.642 113.953 114.554 0.068 0.000 2.901 558 T HA 0.110 4.461 4.350 0.002 0.000 0.293 558 T C 0.746 175.565 174.700 0.198 0.000 1.084 558 T CA -0.843 61.334 62.100 0.128 0.000 1.008 558 T CB 0.870 69.787 68.868 0.083 0.000 1.170 558 T HN 0.404 nan 8.240 nan 0.000 0.509 559 Y N 1.584 121.970 120.300 0.143 0.000 2.096 559 Y HA -0.270 4.281 4.550 0.001 0.000 0.278 559 Y C 2.167 178.188 175.900 0.201 0.000 1.192 559 Y CA 2.629 60.833 58.100 0.173 0.000 1.143 559 Y CB -0.404 38.148 38.460 0.154 0.000 0.963 559 Y HN 0.858 nan 8.280 nan 0.000 0.505 560 E N 0.225 120.645 120.200 0.366 0.000 2.049 560 E HA -0.257 4.094 4.350 0.002 0.000 0.198 560 E C 2.022 178.722 176.600 0.167 0.000 1.007 560 E CA 1.492 58.059 56.400 0.278 0.000 0.809 560 E CB -0.793 29.166 29.700 0.433 0.000 0.749 560 E HN 0.500 nan 8.360 nan 0.000 0.450 561 L N 0.188 121.593 121.223 0.304 0.000 2.064 561 L HA -0.236 4.105 4.340 0.002 0.000 0.216 561 L C 1.986 178.982 176.870 0.211 0.000 1.077 561 L CA 1.651 56.708 54.840 0.362 0.000 0.766 561 L CB -0.442 41.726 42.059 0.182 0.000 0.890 561 L HN 0.074 nan 8.230 nan 0.000 0.435 562 V N -0.973 118.927 119.914 -0.024 0.000 2.302 562 V HA -0.211 3.910 4.120 0.002 0.000 0.243 562 V C 2.452 178.411 176.094 -0.226 0.000 1.036 562 V CA 1.680 63.900 62.300 -0.133 0.000 1.020 562 V CB -0.823 30.855 31.823 -0.241 0.000 0.657 562 V HN 0.533 nan 8.190 nan 0.000 0.453 563 E N 0.642 120.633 120.200 -0.350 0.000 2.049 563 E HA -0.294 4.057 4.350 0.002 0.000 0.198 563 E C 2.238 178.743 176.600 -0.160 0.000 1.007 563 E CA 1.940 58.208 56.400 -0.220 0.000 0.809 563 E CB -0.022 29.588 29.700 -0.150 0.000 0.749 563 E HN 0.592 nan 8.360 nan 0.000 0.450 564 K N -0.697 119.548 120.400 -0.258 0.000 1.980 564 K HA -0.099 4.222 4.320 0.002 0.000 0.208 564 K C 2.031 178.398 176.600 -0.389 0.000 1.043 564 K CA 1.729 57.740 56.287 -0.461 0.000 0.938 564 K CB -0.201 31.731 32.500 -0.946 0.000 0.724 564 K HN 0.133 nan 8.250 nan 0.000 0.438 565 F N -1.308 118.728 119.950 0.145 0.000 2.446 565 F HA 0.078 4.606 4.527 0.001 0.000 0.292 565 F C 1.941 177.668 175.800 -0.121 0.000 1.096 565 F CA 0.355 58.406 58.000 0.085 0.000 1.438 565 F CB -0.568 38.575 39.000 0.238 0.000 1.107 565 F HN -0.012 nan 8.300 nan 0.000 0.546 566 Y N -0.396 119.872 120.300 -0.053 0.000 2.230 566 Y HA 0.069 4.620 4.550 0.001 0.000 0.294 566 Y C 0.575 176.367 175.900 -0.180 0.000 1.120 566 Y CA 0.861 58.843 58.100 -0.197 0.000 1.129 566 Y CB 0.228 38.536 38.460 -0.253 0.000 1.040 566 Y HN -0.137 nan 8.280 nan 0.000 0.519 567 D N -1.202 119.164 120.400 -0.056 0.000 2.714 567 D HA 0.213 4.854 4.640 0.002 0.000 0.264 567 D C -2.512 173.602 176.300 -0.310 0.000 1.231 567 D CA -1.957 51.988 54.000 -0.092 0.000 0.802 567 D CB 0.829 41.587 40.800 -0.070 0.000 1.319 567 D HN -0.098 nan 8.370 nan 0.000 0.528 568 P HA -0.121 nan 4.420 nan 0.000 0.215 568 P C 1.632 178.974 177.300 0.070 0.000 1.157 568 P CA 0.821 63.900 63.100 -0.037 0.000 0.868 568 P CB 0.205 31.913 31.700 0.013 0.000 0.788 569 M N -2.699 116.922 119.600 0.034 0.000 2.296 569 M HA 0.054 4.535 4.480 0.002 0.000 0.265 569 M C 0.540 176.971 176.300 0.219 0.000 1.064 569 M CA 0.661 56.009 55.300 0.080 0.000 1.109 569 M CB -1.596 30.991 32.600 -0.021 0.000 1.396 569 M HN -0.122 nan 8.290 nan 0.000 0.430 570 F N -0.768 119.147 119.950 -0.058 0.000 2.988 570 F HA -0.386 4.142 4.527 0.001 0.000 0.287 570 F C 1.459 177.223 175.800 -0.061 0.000 0.781 570 F CA 0.977 58.936 58.000 -0.068 0.000 1.221 570 F CB -1.801 37.122 39.000 -0.129 0.000 1.392 570 F HN 0.287 nan 8.300 nan 0.000 0.425 571 K N -0.881 119.472 120.400 -0.078 0.000 2.243 571 K HA -0.054 4.267 4.320 0.002 0.000 0.201 571 K C 1.340 177.721 176.600 -0.365 0.000 1.051 571 K CA 1.584 57.728 56.287 -0.238 0.000 0.970 571 K CB -0.335 31.939 32.500 -0.377 0.000 0.755 571 K HN 0.420 nan 8.250 nan 0.000 0.465 572 Y N 1.467 121.653 120.300 -0.191 0.000 2.286 572 Y HA -0.059 4.492 4.550 0.002 0.000 0.293 572 Y C 2.277 178.058 175.900 -0.198 0.000 1.124 572 Y CA 1.261 59.136 58.100 -0.374 0.000 1.178 572 Y CB -0.606 37.544 38.460 -0.515 0.000 1.010 572 Y HN 0.148 nan 8.280 nan 0.000 0.536 573 H N -0.543 118.521 119.070 -0.010 0.000 2.289 573 H HA -0.207 4.350 4.556 0.001 0.000 0.296 573 H C 2.089 177.441 175.328 0.039 0.000 1.091 573 H CA 2.108 58.183 56.048 0.045 0.000 1.274 573 H CB -0.614 29.233 29.762 0.142 0.000 1.364 573 H HN 0.275 nan 8.280 nan 0.000 0.490 574 L N -0.233 121.077 121.223 0.146 0.000 2.291 574 L HA -0.080 4.261 4.340 0.002 0.000 0.214 574 L C 1.970 178.837 176.870 -0.005 0.000 1.120 574 L CA 1.306 56.179 54.840 0.056 0.000 0.799 574 L CB -0.327 41.742 42.059 0.018 0.000 0.925 574 L HN 0.175 nan 8.230 nan 0.000 0.446 575 T N -1.098 113.435 114.554 -0.034 0.000 2.701 575 T HA -0.136 4.215 4.350 0.002 0.000 0.263 575 T C 1.888 176.603 174.700 0.025 0.000 1.040 575 T CA 1.700 63.789 62.100 -0.018 0.000 1.147 575 T CB -0.202 68.653 68.868 -0.023 0.000 0.865 575 T HN 0.191 nan 8.240 nan 0.000 0.426 576 V N 2.030 121.967 119.914 0.039 0.000 2.332 576 V HA -0.200 3.921 4.120 0.002 0.000 0.248 576 V C 2.873 178.991 176.094 0.040 0.000 1.055 576 V CA 1.705 64.026 62.300 0.036 0.000 1.038 576 V CB -1.259 30.569 31.823 0.009 0.000 0.651 576 V HN 0.533 nan 8.190 nan 0.000 0.450 577 A N -1.135 121.717 122.820 0.053 0.000 2.139 577 A HA -0.296 4.025 4.320 0.002 0.000 0.221 577 A C 2.175 179.793 177.584 0.057 0.000 1.159 577 A CA 2.080 54.158 52.037 0.069 0.000 0.662 577 A CB -0.375 18.664 19.000 0.064 0.000 0.796 577 A HN 0.695 nan 8.150 nan 0.000 0.463 578 Q N -1.205 118.615 119.800 0.033 0.000 2.304 578 Q HA 0.022 4.362 4.340 0.002 0.000 0.204 578 Q C 2.108 178.156 176.000 0.079 0.000 0.936 578 Q CA 0.921 56.747 55.803 0.038 0.000 0.878 578 Q CB -0.086 28.648 28.738 -0.008 0.000 0.983 578 Q HN 0.470 nan 8.270 nan 0.000 0.516 579 V N 1.332 121.273 119.914 0.046 0.000 2.233 579 V HA -0.326 3.795 4.120 0.002 0.000 0.247 579 V C 2.185 178.317 176.094 0.065 0.000 1.050 579 V CA 2.054 64.373 62.300 0.032 0.000 1.010 579 V CB -0.656 31.143 31.823 -0.039 0.000 0.637 579 V HN 0.267 nan 8.190 nan 0.000 0.444 580 R N 0.350 120.889 120.500 0.064 0.000 2.122 580 R HA -0.173 4.168 4.340 0.002 0.000 0.236 580 R C 2.491 178.898 176.300 0.177 0.000 1.129 580 R CA 2.000 58.156 56.100 0.094 0.000 0.925 580 R CB -1.152 29.201 30.300 0.087 0.000 0.850 580 R HN 0.599 nan 8.270 nan 0.000 0.431 581 G N -0.710 108.253 108.800 0.272 0.000 2.443 581 G HA2 -0.175 3.785 3.960 0.002 0.000 0.219 581 G HA3 -0.175 3.785 3.960 0.002 0.000 0.219 581 G C 1.421 176.553 174.900 0.386 0.000 1.131 581 G CA 0.767 46.144 45.100 0.461 0.000 0.775 581 G HN 0.484 nan 8.290 nan 0.000 0.547 582 G N 0.893 109.889 108.800 0.325 0.000 2.414 582 G HA2 -0.183 3.778 3.960 0.002 0.000 0.215 582 G HA3 -0.183 3.778 3.960 0.002 0.000 0.215 582 G C 1.848 176.877 174.900 0.215 0.000 1.188 582 G CA 0.984 46.231 45.100 0.245 0.000 0.783 582 G HN 0.403 nan 8.290 nan 0.000 0.537 583 M N -0.073 119.624 119.600 0.162 0.000 2.080 583 M HA -0.085 4.396 4.480 0.002 0.000 0.260 583 M C 2.708 179.081 176.300 0.123 0.000 1.068 583 M CA 1.033 56.410 55.300 0.128 0.000 1.109 583 M CB -0.430 32.223 32.600 0.089 0.000 1.342 583 M HN 0.110 nan 8.290 nan 0.000 0.405 584 V N 0.038 120.034 119.914 0.136 0.000 2.231 584 V HA -0.324 3.797 4.120 0.002 0.000 0.248 584 V C 2.105 178.262 176.094 0.105 0.000 1.054 584 V CA 2.365 64.725 62.300 0.099 0.000 1.015 584 V CB -0.815 31.093 31.823 0.142 0.000 0.638 584 V HN 0.423 nan 8.190 nan 0.000 0.444 585 F N 0.751 120.726 119.950 0.042 0.000 2.087 585 F HA -0.247 4.281 4.527 0.001 0.000 0.299 585 F C 2.558 178.380 175.800 0.038 0.000 1.100 585 F CA 2.288 60.303 58.000 0.025 0.000 1.226 585 F CB -0.186 38.693 39.000 -0.201 0.000 0.983 585 F HN 0.133 nan 8.300 nan 0.000 0.479 586 E N 0.571 120.893 120.200 0.202 0.000 2.031 586 E HA -0.203 4.148 4.350 0.002 0.000 0.193 586 E C 2.476 179.046 176.600 -0.050 0.000 0.994 586 E CA 1.529 57.990 56.400 0.102 0.000 0.800 586 E CB -0.838 28.942 29.700 0.133 0.000 0.752 586 E HN 0.464 nan 8.360 nan 0.000 0.447 587 L N 0.209 121.406 121.223 -0.043 0.000 2.079 587 L HA -0.188 4.153 4.340 0.002 0.000 0.210 587 L C 2.301 179.087 176.870 -0.139 0.000 1.081 587 L CA 1.269 56.050 54.840 -0.098 0.000 0.752 587 L CB -0.399 41.641 42.059 -0.032 0.000 0.896 587 L HN 0.067 nan 8.230 nan 0.000 0.433 588 A N -1.265 121.456 122.820 -0.165 0.000 2.169 588 A HA -0.095 4.226 4.320 0.002 0.000 0.212 588 A C 1.765 179.206 177.584 -0.239 0.000 1.153 588 A CA 1.427 53.340 52.037 -0.208 0.000 0.756 588 A CB -0.269 18.581 19.000 -0.250 0.000 0.813 588 A HN 0.478 nan 8.150 nan 0.000 0.471 589 N N -1.780 116.761 118.700 -0.265 0.000 2.149 589 N HA 0.043 4.783 4.740 0.002 0.000 0.229 589 N C 0.407 175.824 175.510 -0.155 0.000 1.284 589 N CA 0.612 53.502 53.050 -0.266 0.000 0.864 589 N CB 0.656 38.840 38.487 -0.506 0.000 1.169 589 N HN 0.227 nan 8.380 nan 0.000 0.478 590 S N 0.012 115.637 115.700 -0.125 0.000 2.564 590 S HA 0.156 4.627 4.470 0.002 0.000 0.278 590 S C 1.474 176.039 174.600 -0.057 0.000 1.333 590 S CA -0.436 57.729 58.200 -0.059 0.000 1.048 590 S CB 0.429 63.604 63.200 -0.042 0.000 0.900 590 S HN 0.224 nan 8.310 nan 0.000 0.505 591 I N 3.442 123.995 120.570 -0.028 0.000 2.226 591 I HA -0.038 4.133 4.170 0.002 0.000 0.245 591 I C 0.492 176.606 176.117 -0.004 0.000 1.100 591 I CA 0.888 62.177 61.300 -0.017 0.000 1.374 591 I CB 0.047 38.043 38.000 -0.008 0.000 1.057 591 I HN 0.437 nan 8.210 nan 0.000 0.413 592 V N 1.791 121.704 119.914 -0.002 0.000 2.513 592 V HA 0.258 4.379 4.120 0.002 0.000 0.299 592 V C 0.071 176.130 176.094 -0.057 0.000 1.035 592 V CA -0.930 61.381 62.300 0.018 0.000 0.889 592 V CB 1.858 33.720 31.823 0.066 0.000 0.988 592 V HN 0.037 nan 8.190 nan 0.000 0.440 593 L N 6.283 127.437 121.223 -0.115 0.000 2.540 593 L HA 0.116 4.457 4.340 0.002 0.000 0.276 593 L C -1.435 175.256 176.870 -0.298 0.000 1.212 593 L CA -1.028 53.616 54.840 -0.327 0.000 0.893 593 L CB 0.371 42.125 42.059 -0.510 0.000 1.138 593 L HN 0.516 nan 8.230 nan 0.000 0.491 594 P HA -0.093 nan 4.420 nan 0.000 0.261 594 P C -0.641 176.696 177.300 0.061 0.000 1.288 594 P CA 0.783 63.812 63.100 -0.119 0.000 0.751 594 P CB -0.214 31.434 31.700 -0.087 0.000 1.103 595 F N 0.173 120.183 119.950 0.101 0.000 2.394 595 F HA 0.316 4.843 4.527 0.002 0.000 0.340 595 F C 0.993 176.873 175.800 0.133 0.000 1.105 595 F CA -1.766 56.302 58.000 0.112 0.000 1.124 595 F CB 0.466 39.544 39.000 0.131 0.000 1.145 595 F HN -0.244 nan 8.300 nan 0.000 0.505 596 D N 2.200 122.789 120.400 0.316 0.000 2.460 596 D HA 0.153 4.794 4.640 0.002 0.000 0.232 596 D C 0.939 177.391 176.300 0.254 0.000 1.079 596 D CA -0.314 53.834 54.000 0.248 0.000 0.864 596 D CB 0.948 41.855 40.800 0.179 0.000 1.048 596 D HN 0.685 nan 8.370 nan 0.000 0.523 597 C N 3.024 122.505 119.300 0.302 0.000 2.430 597 C HA 0.091 4.552 4.460 0.002 0.000 0.288 597 C C 2.083 177.283 174.990 0.349 0.000 1.448 597 C CA -0.088 59.121 59.018 0.319 0.000 1.784 597 C CB -0.804 27.059 27.740 0.206 0.000 1.776 597 C HN 0.527 nan 8.230 nan 0.000 0.547 598 R N 0.853 121.515 120.500 0.270 0.000 2.119 598 R HA -0.024 4.317 4.340 0.002 0.000 0.222 598 R C 1.741 178.174 176.300 0.222 0.000 1.088 598 R CA 1.391 57.639 56.100 0.246 0.000 0.984 598 R CB -0.246 30.166 30.300 0.188 0.000 0.884 598 R HN 0.558 nan 8.270 nan 0.000 0.447 599 D N -0.276 120.223 120.400 0.165 0.000 2.218 599 D HA -0.194 4.447 4.640 0.002 0.000 0.204 599 D C 1.336 177.654 176.300 0.031 0.000 0.976 599 D CA 1.202 55.254 54.000 0.087 0.000 0.853 599 D CB 0.001 40.799 40.800 -0.002 0.000 0.939 599 D HN 0.207 nan 8.370 nan 0.000 0.481 600 Y N 1.258 121.577 120.300 0.032 0.000 2.286 600 Y HA 0.013 4.563 4.550 0.001 0.000 0.293 600 Y C 2.392 178.243 175.900 -0.081 0.000 1.124 600 Y CA 0.634 58.709 58.100 -0.042 0.000 1.178 600 Y CB -0.352 38.153 38.460 0.075 0.000 1.010 600 Y HN -0.081 nan 8.280 nan 0.000 0.536 601 A N -1.102 121.918 122.820 0.333 0.000 1.972 601 A HA -0.105 4.216 4.320 0.002 0.000 0.219 601 A C 2.394 180.054 177.584 0.127 0.000 1.169 601 A CA 1.570 53.783 52.037 0.292 0.000 0.635 601 A CB -1.170 18.100 19.000 0.450 0.000 0.810 601 A HN 0.235 nan 8.150 nan 0.000 0.446 602 V N 0.049 120.024 119.914 0.101 0.000 2.220 602 V HA -0.281 3.840 4.120 0.002 0.000 0.242 602 V C 2.746 178.792 176.094 -0.079 0.000 1.041 602 V CA 2.297 64.620 62.300 0.038 0.000 0.990 602 V CB -0.953 30.910 31.823 0.068 0.000 0.634 602 V HN 0.652 nan 8.190 nan 0.000 0.452 603 V N -0.673 119.135 119.914 -0.176 0.000 2.370 603 V HA -0.305 3.816 4.120 0.002 0.000 0.252 603 V C 2.190 177.776 176.094 -0.846 0.000 1.068 603 V CA 2.416 64.397 62.300 -0.530 0.000 1.061 603 V CB -0.869 30.593 31.823 -0.600 0.000 0.656 603 V HN 0.513 nan 8.190 nan 0.000 0.455 604 L N 0.197 121.145 121.223 -0.459 0.000 2.042 604 L HA -0.199 4.142 4.340 0.002 0.000 0.210 604 L C 2.985 179.798 176.870 -0.095 0.000 1.076 604 L CA 2.506 57.174 54.840 -0.287 0.000 0.749 604 L CB -0.581 41.353 42.059 -0.208 0.000 0.893 604 L HN 0.496 nan 8.230 nan 0.000 0.432 605 R N 0.299 120.765 120.500 -0.057 0.000 2.092 605 R HA -0.126 4.215 4.340 0.002 0.000 0.231 605 R C 2.216 178.557 176.300 0.067 0.000 1.119 605 R CA 1.585 57.712 56.100 0.044 0.000 0.970 605 R CB -0.595 29.755 30.300 0.084 0.000 0.864 605 R HN -0.108 nan 8.270 nan 0.000 0.440 606 K N -0.196 120.198 120.400 -0.010 0.000 2.009 606 K HA -0.114 4.207 4.320 0.002 0.000 0.210 606 K C 2.181 178.904 176.600 0.204 0.000 1.049 606 K CA 1.745 58.070 56.287 0.062 0.000 0.929 606 K CB -0.888 31.614 32.500 0.004 0.000 0.714 606 K HN 0.399 nan 8.250 nan 0.000 0.440 607 Y N 0.415 120.760 120.300 0.076 0.000 2.256 607 Y HA -0.043 4.508 4.550 0.002 0.000 0.288 607 Y C 2.585 178.644 175.900 0.266 0.000 1.155 607 Y CA 0.358 58.516 58.100 0.097 0.000 1.203 607 Y CB -1.409 36.970 38.460 -0.134 0.000 0.980 607 Y HN 0.229 nan 8.280 nan 0.000 0.530 608 A N 0.104 123.148 122.820 0.372 0.000 1.898 608 A HA -0.149 4.172 4.320 0.002 0.000 0.216 608 A C 2.016 179.651 177.584 0.084 0.000 1.181 608 A CA 1.716 53.799 52.037 0.077 0.000 0.620 608 A CB -0.604 18.239 19.000 -0.260 0.000 0.819 608 A HN 0.312 nan 8.150 nan 0.000 0.442 609 D N -0.210 120.321 120.400 0.218 0.000 2.092 609 D HA -0.138 4.503 4.640 0.002 0.000 0.193 609 D C 2.081 178.531 176.300 0.251 0.000 0.994 609 D CA 1.823 55.985 54.000 0.271 0.000 0.828 609 D CB -0.521 40.411 40.800 0.221 0.000 0.963 609 D HN 0.329 nan 8.370 nan 0.000 0.450 610 K N 0.594 121.134 120.400 0.234 0.000 2.059 610 K HA -0.201 4.120 4.320 0.002 0.000 0.212 610 K C 2.189 178.905 176.600 0.193 0.000 1.050 610 K CA 1.108 57.524 56.287 0.216 0.000 0.927 610 K CB -0.970 31.665 32.500 0.224 0.000 0.714 610 K HN 0.231 nan 8.250 nan 0.000 0.447 611 I N -0.215 120.465 120.570 0.183 0.000 2.439 611 I HA 0.021 4.192 4.170 0.002 0.000 0.251 611 I C 1.990 178.057 176.117 -0.082 0.000 1.139 611 I CA 1.275 62.656 61.300 0.134 0.000 1.438 611 I CB -0.491 37.620 38.000 0.184 0.000 1.085 611 I HN 0.523 nan 8.210 nan 0.000 0.427 612 Y N 0.799 120.921 120.300 -0.296 0.000 2.133 612 Y HA -0.235 4.316 4.550 0.002 0.000 0.287 612 Y C 2.634 178.465 175.900 -0.116 0.000 1.134 612 Y CA 2.046 59.854 58.100 -0.486 0.000 1.133 612 Y CB -0.614 37.710 38.460 -0.227 0.000 0.987 612 Y HN 0.163 nan 8.280 nan 0.000 0.502 613 S N 0.934 116.683 115.700 0.082 0.000 2.380 613 S HA -0.277 4.194 4.470 0.002 0.000 0.229 613 S C 1.997 176.602 174.600 0.008 0.000 1.043 613 S CA 2.004 60.239 58.200 0.059 0.000 1.038 613 S CB -0.709 62.578 63.200 0.145 0.000 0.872 613 S HN 0.536 nan 8.310 nan 0.000 0.456 614 I N 0.841 121.439 120.570 0.046 0.000 2.286 614 I HA -0.166 4.005 4.170 0.002 0.000 0.248 614 I C 2.665 178.867 176.117 0.140 0.000 1.115 614 I CA 1.142 62.502 61.300 0.100 0.000 1.392 614 I CB -0.338 37.737 38.000 0.125 0.000 1.065 614 I HN 0.298 nan 8.210 nan 0.000 0.418 615 S N 0.510 116.256 115.700 0.077 0.000 2.387 615 S HA -0.123 4.347 4.470 0.002 0.000 0.226 615 S C 2.141 176.900 174.600 0.265 0.000 1.026 615 S CA 0.941 59.285 58.200 0.241 0.000 0.972 615 S CB -0.008 63.389 63.200 0.329 0.000 0.814 615 S HN 0.228 nan 8.310 nan 0.000 0.477 616 M N 1.488 121.081 119.600 -0.012 0.000 2.260 616 M HA -0.065 4.416 4.480 0.002 0.000 0.261 616 M C 1.741 178.074 176.300 0.055 0.000 1.066 616 M CA 1.120 56.407 55.300 -0.022 0.000 1.082 616 M CB -1.076 31.451 32.600 -0.121 0.000 1.388 616 M HN 0.251 nan 8.290 nan 0.000 0.419 617 K N 0.390 120.834 120.400 0.074 0.000 2.304 617 K HA -0.152 4.169 4.320 0.002 0.000 0.204 617 K C 0.380 176.863 176.600 -0.195 0.000 1.044 617 K CA 1.101 57.342 56.287 -0.078 0.000 0.932 617 K CB -0.568 31.835 32.500 -0.162 0.000 0.735 617 K HN 0.647 nan 8.250 nan 0.000 0.468 618 H N -0.513 118.605 119.070 0.080 0.000 2.336 618 H HA 0.154 4.711 4.556 0.001 0.000 0.230 618 H C -1.999 173.283 175.328 -0.076 0.000 1.426 618 H CA -1.589 54.489 56.048 0.051 0.000 1.359 618 H CB 0.967 30.848 29.762 0.199 0.000 1.555 618 H HN -0.013 nan 8.280 nan 0.000 0.512 619 P HA -0.132 nan 4.420 nan 0.000 0.229 619 P C 1.646 178.896 177.300 -0.083 0.000 1.160 619 P CA 0.684 63.767 63.100 -0.028 0.000 0.777 619 P CB 0.694 32.389 31.700 -0.008 0.000 0.814 620 Q N 1.781 121.535 119.800 -0.076 0.000 1.948 620 Q HA -0.207 4.133 4.340 0.002 0.000 0.205 620 Q C 2.005 177.879 176.000 -0.209 0.000 0.992 620 Q CA 2.164 57.901 55.803 -0.111 0.000 0.849 620 Q CB -1.089 27.603 28.738 -0.077 0.000 0.918 620 Q HN 0.127 nan 8.270 nan 0.000 0.421 621 E N -0.031 120.003 120.200 -0.278 0.000 2.065 621 E HA -0.236 4.115 4.350 0.002 0.000 0.201 621 E C 2.072 178.349 176.600 -0.539 0.000 1.016 621 E CA 1.910 58.000 56.400 -0.516 0.000 0.818 621 E CB -0.413 28.751 29.700 -0.894 0.000 0.749 621 E HN 0.383 nan 8.360 nan 0.000 0.453 622 M N 0.179 119.460 119.600 -0.531 0.000 2.192 622 M HA -0.285 4.196 4.480 0.002 0.000 0.259 622 M C 1.888 178.092 176.300 -0.160 0.000 1.071 622 M CA 1.659 56.782 55.300 -0.295 0.000 1.082 622 M CB -0.217 32.317 32.600 -0.110 0.000 1.373 622 M HN 0.053 nan 8.290 nan 0.000 0.408 623 K N -1.048 119.248 120.400 -0.174 0.000 2.067 623 K HA -0.010 4.311 4.320 0.002 0.000 0.203 623 K C 1.806 178.287 176.600 -0.199 0.000 1.048 623 K CA 1.524 57.731 56.287 -0.133 0.000 0.954 623 K CB -0.265 32.167 32.500 -0.113 0.000 0.737 623 K HN 0.219 nan 8.250 nan 0.000 0.444 624 T N 0.478 114.832 114.554 -0.333 0.000 2.822 624 T HA -0.163 4.188 4.350 0.002 0.000 0.270 624 T C 0.755 175.101 174.700 -0.590 0.000 1.064 624 T CA 1.443 63.228 62.100 -0.525 0.000 1.131 624 T CB -0.172 68.207 68.868 -0.815 0.000 0.858 624 T HN 0.232 nan 8.240 nan 0.000 0.483 625 Y N 0.102 120.313 120.300 -0.149 0.000 2.588 625 Y HA 0.345 4.896 4.550 0.002 0.000 0.247 625 Y C 0.978 176.843 175.900 -0.059 0.000 1.157 625 Y CA -0.961 57.084 58.100 -0.092 0.000 1.215 625 Y CB -0.089 38.323 38.460 -0.080 0.000 1.245 625 Y HN 0.013 nan 8.280 nan 0.000 0.534 626 S N -0.142 115.577 115.700 0.033 0.000 3.711 626 S HA -0.137 4.334 4.470 0.002 0.000 0.374 626 S C -0.224 174.406 174.600 0.050 0.000 0.969 626 S CA 0.243 58.462 58.200 0.031 0.000 1.198 626 S CB -2.248 60.969 63.200 0.028 0.000 0.903 626 S HN 0.129 nan 8.310 nan 0.000 0.493 627 V N 1.917 121.863 119.914 0.053 0.000 2.356 627 V HA 0.511 4.632 4.120 0.002 0.000 0.258 627 V C 0.587 176.709 176.094 0.047 0.000 1.065 627 V CA 0.136 62.465 62.300 0.049 0.000 0.935 627 V CB 1.326 33.214 31.823 0.109 0.000 1.061 627 V HN 0.670 nan 8.190 nan 0.000 0.484 628 S N 4.495 120.189 115.700 -0.009 0.000 2.478 628 S HA 0.565 5.036 4.470 0.002 0.000 0.312 628 S C 0.029 174.651 174.600 0.037 0.000 1.094 628 S CA -0.564 57.688 58.200 0.086 0.000 1.081 628 S CB 0.651 63.906 63.200 0.092 0.000 1.007 628 S HN 0.491 nan 8.310 nan 0.000 0.475 629 F N 2.593 122.738 119.950 0.324 0.000 2.676 629 F HA 0.194 4.722 4.527 0.001 0.000 0.300 629 F C 1.266 177.314 175.800 0.413 0.000 1.160 629 F CA -0.279 57.949 58.000 0.379 0.000 1.401 629 F CB 0.165 39.541 39.000 0.626 0.000 1.037 629 F HN 0.517 nan 8.300 nan 0.000 0.522 630 D N -0.182 120.441 120.400 0.371 0.000 2.117 630 D HA -0.176 4.465 4.640 0.002 0.000 0.198 630 D C 2.415 178.887 176.300 0.286 0.000 0.982 630 D CA 1.751 55.941 54.000 0.316 0.000 0.828 630 D CB -0.516 40.390 40.800 0.177 0.000 0.967 630 D HN 0.234 nan 8.370 nan 0.000 0.464 631 S N 0.587 116.409 115.700 0.204 0.000 2.374 631 S HA -0.201 4.270 4.470 0.002 0.000 0.227 631 S C 1.928 176.609 174.600 0.134 0.000 1.037 631 S CA 0.777 59.073 58.200 0.160 0.000 1.024 631 S CB -0.623 62.663 63.200 0.143 0.000 0.861 631 S HN 0.174 nan 8.310 nan 0.000 0.456 632 L N 0.683 121.969 121.223 0.105 0.000 2.027 632 L HA 0.212 4.553 4.340 0.002 0.000 0.206 632 L C 2.141 178.955 176.870 -0.093 0.000 1.074 632 L CA 1.401 56.207 54.840 -0.057 0.000 0.745 632 L CB -1.200 40.748 42.059 -0.184 0.000 0.898 632 L HN 0.256 nan 8.230 nan 0.000 0.433 633 F N -0.795 119.224 119.950 0.114 0.000 2.102 633 F HA -0.203 4.325 4.527 0.002 0.000 0.298 633 F C 2.954 178.805 175.800 0.086 0.000 1.105 633 F CA 1.689 59.741 58.000 0.086 0.000 1.239 633 F CB -1.287 37.748 39.000 0.059 0.000 0.991 633 F HN 0.136 nan 8.300 nan 0.000 0.474 634 S N 0.027 115.888 115.700 0.269 0.000 2.359 634 S HA -0.279 4.192 4.470 0.002 0.000 0.222 634 S C 2.392 177.080 174.600 0.146 0.000 1.038 634 S CA 1.498 59.806 58.200 0.180 0.000 1.051 634 S CB -0.808 62.485 63.200 0.154 0.000 0.944 634 S HN 0.333 nan 8.310 nan 0.000 0.433 635 A N 0.672 123.569 122.820 0.128 0.000 1.903 635 A HA -0.118 4.203 4.320 0.002 0.000 0.219 635 A C 2.409 180.083 177.584 0.150 0.000 1.191 635 A CA 2.223 54.330 52.037 0.116 0.000 0.638 635 A CB -1.293 17.758 19.000 0.084 0.000 0.823 635 A HN 0.488 nan 8.150 nan 0.000 0.451 636 V N -0.153 119.838 119.914 0.128 0.000 2.427 636 V HA -0.242 3.879 4.120 0.002 0.000 0.248 636 V C 2.550 178.763 176.094 0.199 0.000 1.051 636 V CA 2.426 64.811 62.300 0.141 0.000 1.048 636 V CB -0.554 31.310 31.823 0.068 0.000 0.666 636 V HN 0.721 nan 8.190 nan 0.000 0.456 637 K N 0.183 120.692 120.400 0.182 0.000 2.002 637 K HA -0.219 4.102 4.320 0.002 0.000 0.209 637 K C 2.036 178.729 176.600 0.155 0.000 1.048 637 K CA 1.888 58.273 56.287 0.165 0.000 0.930 637 K CB -0.217 32.370 32.500 0.146 0.000 0.714 637 K HN 0.405 nan 8.250 nan 0.000 0.438 638 N N 0.333 119.118 118.700 0.142 0.000 2.137 638 N HA -0.209 4.532 4.740 0.002 0.000 0.190 638 N C 1.588 177.165 175.510 0.110 0.000 1.017 638 N CA 1.275 54.389 53.050 0.107 0.000 0.859 638 N CB -0.417 38.126 38.487 0.092 0.000 1.002 638 N HN 0.197 nan 8.380 nan 0.000 0.428 639 F N 1.841 121.816 119.950 0.040 0.000 2.031 639 F HA -0.203 4.325 4.527 0.002 0.000 0.295 639 F C 2.367 178.201 175.800 0.055 0.000 1.133 639 F CA 1.575 59.595 58.000 0.034 0.000 1.188 639 F CB -0.783 38.246 39.000 0.049 0.000 0.974 639 F HN -0.039 nan 8.300 nan 0.000 0.473 640 T N 0.081 114.849 114.554 0.357 0.000 2.624 640 T HA -0.336 4.015 4.350 0.002 0.000 0.266 640 T C 1.787 176.553 174.700 0.111 0.000 1.050 640 T CA 2.171 64.410 62.100 0.232 0.000 1.163 640 T CB -0.575 68.406 68.868 0.189 0.000 0.861 640 T HN 0.403 nan 8.240 nan 0.000 0.443 641 E N 0.094 120.343 120.200 0.081 0.000 2.077 641 E HA -0.071 4.280 4.350 0.002 0.000 0.193 641 E C 2.292 178.902 176.600 0.017 0.000 0.989 641 E CA 1.010 57.440 56.400 0.050 0.000 0.800 641 E CB -0.216 29.512 29.700 0.048 0.000 0.746 641 E HN 0.524 nan 8.360 nan 0.000 0.452 642 I N 0.613 121.157 120.570 -0.043 0.000 2.439 642 I HA -0.183 3.988 4.170 0.002 0.000 0.251 642 I C 2.475 178.562 176.117 -0.051 0.000 1.139 642 I CA 0.711 61.964 61.300 -0.079 0.000 1.438 642 I CB -0.338 37.559 38.000 -0.172 0.000 1.085 642 I HN 0.054 nan 8.210 nan 0.000 0.427 643 A N 0.095 122.855 122.820 -0.101 0.000 1.968 643 A HA -0.115 4.205 4.320 0.002 0.000 0.217 643 A C 2.489 180.153 177.584 0.134 0.000 1.169 643 A CA 1.498 53.543 52.037 0.013 0.000 0.638 643 A CB -0.478 18.513 19.000 -0.016 0.000 0.812 643 A HN 0.306 nan 8.150 nan 0.000 0.446 644 S N -0.217 115.540 115.700 0.095 0.000 2.378 644 S HA -0.208 4.263 4.470 0.002 0.000 0.221 644 S C 2.017 176.667 174.600 0.083 0.000 1.037 644 S CA 1.956 60.211 58.200 0.091 0.000 1.069 644 S CB -0.306 62.937 63.200 0.072 0.000 1.006 644 S HN 0.608 nan 8.310 nan 0.000 0.423 645 K N -0.166 120.276 120.400 0.070 0.000 2.077 645 K HA -0.198 4.123 4.320 0.002 0.000 0.213 645 K C 1.829 178.473 176.600 0.073 0.000 1.051 645 K CA 1.952 58.275 56.287 0.059 0.000 0.929 645 K CB -0.391 32.141 32.500 0.053 0.000 0.715 645 K HN 0.339 nan 8.250 nan 0.000 0.451 646 F N 1.378 121.318 119.950 -0.017 0.000 2.051 646 F HA -0.262 4.266 4.527 0.002 0.000 0.296 646 F C 2.393 178.208 175.800 0.025 0.000 1.122 646 F CA 2.075 60.067 58.000 -0.013 0.000 1.201 646 F CB -0.685 38.290 39.000 -0.040 0.000 0.978 646 F HN 0.064 nan 8.300 nan 0.000 0.472 647 S N -0.507 115.214 115.700 0.035 0.000 2.399 647 S HA -0.232 4.239 4.470 0.002 0.000 0.231 647 S C 1.876 176.441 174.600 -0.059 0.000 1.022 647 S CA 1.261 59.441 58.200 -0.034 0.000 0.983 647 S CB -0.884 62.382 63.200 0.111 0.000 0.803 647 S HN 0.600 nan 8.310 nan 0.000 0.480 648 E N 1.427 121.612 120.200 -0.024 0.000 2.086 648 E HA -0.188 4.163 4.350 0.002 0.000 0.200 648 E C 2.466 179.040 176.600 -0.043 0.000 1.012 648 E CA 1.498 57.887 56.400 -0.019 0.000 0.812 648 E CB -0.093 29.606 29.700 -0.001 0.000 0.743 648 E HN 0.567 nan 8.360 nan 0.000 0.453 649 R N -0.169 120.270 120.500 -0.103 0.000 2.115 649 R HA -0.083 4.258 4.340 0.002 0.000 0.226 649 R C 2.402 178.680 176.300 -0.036 0.000 1.100 649 R CA 0.520 56.564 56.100 -0.093 0.000 0.980 649 R CB -0.308 29.895 30.300 -0.161 0.000 0.875 649 R HN 0.140 nan 8.270 nan 0.000 0.445 650 L N 1.514 122.634 121.223 -0.171 0.000 2.046 650 L HA -0.210 4.131 4.340 0.002 0.000 0.208 650 L C 2.472 179.398 176.870 0.093 0.000 1.077 650 L CA 1.720 56.549 54.840 -0.018 0.000 0.747 650 L CB -0.552 41.382 42.059 -0.208 0.000 0.896 650 L HN -0.022 nan 8.230 nan 0.000 0.432 651 Q N -0.841 118.961 119.800 0.003 0.000 2.002 651 Q HA -0.194 4.147 4.340 0.002 0.000 0.204 651 Q C 1.056 177.025 176.000 -0.052 0.000 0.988 651 Q CA 1.706 57.493 55.803 -0.026 0.000 0.843 651 Q CB -0.990 27.738 28.738 -0.017 0.000 0.908 651 Q HN 0.639 nan 8.270 nan 0.000 0.420 652 D N 0.469 120.870 120.400 0.003 0.000 2.977 652 D HA 0.228 4.869 4.640 0.002 0.000 0.241 652 D C -0.502 175.844 176.300 0.077 0.000 1.206 652 D CA 0.034 54.041 54.000 0.011 0.000 0.902 652 D CB -1.042 39.776 40.800 0.031 0.000 1.131 652 D HN 0.444 nan 8.370 nan 0.000 0.447 653 F N -1.066 118.855 119.950 -0.049 0.000 2.607 653 F HA 0.289 4.817 4.527 0.002 0.000 0.322 653 F C -0.675 175.107 175.800 -0.031 0.000 1.176 653 F CA -2.018 55.957 58.000 -0.042 0.000 0.977 653 F CB 0.829 39.796 39.000 -0.055 0.000 1.242 653 F HN -0.246 nan 8.300 nan 0.000 0.465 654 D N 4.014 124.437 120.400 0.037 0.000 2.426 654 D HA 0.005 4.646 4.640 0.002 0.000 0.261 654 D C 0.734 176.988 176.300 -0.077 0.000 1.245 654 D CA 0.352 54.313 54.000 -0.065 0.000 0.917 654 D CB 1.135 41.937 40.800 0.003 0.000 1.123 654 D HN 0.759 nan 8.370 nan 0.000 0.508 655 K N 2.173 122.400 120.400 -0.287 0.000 2.520 655 K HA -0.123 4.198 4.320 0.002 0.000 0.197 655 K C 1.619 178.217 176.600 -0.004 0.000 1.043 655 K CA 0.519 56.695 56.287 -0.185 0.000 0.944 655 K CB 0.072 32.439 32.500 -0.221 0.000 0.770 655 K HN 0.342 nan 8.250 nan 0.000 0.480 656 S N 0.884 116.581 115.700 -0.005 0.000 2.406 656 S HA -0.079 4.392 4.470 0.002 0.000 0.228 656 S C 0.635 175.266 174.600 0.051 0.000 1.020 656 S CA 0.291 58.502 58.200 0.018 0.000 0.965 656 S CB -0.141 63.062 63.200 0.005 0.000 0.798 656 S HN 0.306 nan 8.310 nan 0.000 0.488 657 N N 2.094 120.847 118.700 0.088 0.000 2.410 657 N HA 0.113 4.854 4.740 0.002 0.000 0.281 657 N C -1.967 173.600 175.510 0.096 0.000 1.241 657 N CA -1.658 51.447 53.050 0.092 0.000 0.998 657 N CB 1.004 39.559 38.487 0.113 0.000 1.376 657 N HN 0.127 nan 8.380 nan 0.000 0.490 658 P HA -0.143 nan 4.420 nan 0.000 0.214 658 P C 1.564 178.882 177.300 0.030 0.000 1.162 658 P CA 0.667 63.795 63.100 0.047 0.000 0.879 658 P CB 0.252 31.966 31.700 0.023 0.000 0.786 659 I N -0.746 119.833 120.570 0.015 0.000 2.181 659 I HA -0.205 3.966 4.170 0.002 0.000 0.247 659 I C 2.265 178.369 176.117 -0.022 0.000 1.081 659 I CA 1.779 63.078 61.300 -0.001 0.000 1.340 659 I CB -1.503 36.496 38.000 -0.001 0.000 1.036 659 I HN -0.132 nan 8.210 nan 0.000 0.417 660 V N 0.340 120.240 119.914 -0.023 0.000 2.548 660 V HA -0.214 3.907 4.120 0.002 0.000 0.249 660 V C 2.382 178.342 176.094 -0.223 0.000 1.055 660 V CA 0.927 63.160 62.300 -0.113 0.000 1.065 660 V CB -0.514 31.252 31.823 -0.095 0.000 0.681 660 V HN 0.288 nan 8.190 nan 0.000 0.462 661 L N 1.078 122.270 121.223 -0.052 0.000 1.943 661 L HA -0.186 4.155 4.340 0.002 0.000 0.215 661 L C 2.617 179.464 176.870 -0.038 0.000 1.074 661 L CA 2.527 57.383 54.840 0.026 0.000 0.759 661 L CB -1.017 41.144 42.059 0.169 0.000 0.888 661 L HN 0.326 nan 8.230 nan 0.000 0.433 662 R N 0.075 120.568 120.500 -0.012 0.000 2.133 662 R HA -0.261 4.080 4.340 0.002 0.000 0.247 662 R C 2.335 178.623 176.300 -0.021 0.000 1.151 662 R CA 2.565 58.656 56.100 -0.016 0.000 0.971 662 R CB -0.982 29.312 30.300 -0.011 0.000 0.866 662 R HN 0.670 nan 8.270 nan 0.000 0.447 663 M N -1.022 118.551 119.600 -0.045 0.000 2.229 663 M HA -0.093 4.388 4.480 0.002 0.000 0.264 663 M C 1.307 177.598 176.300 -0.015 0.000 1.063 663 M CA 1.709 56.990 55.300 -0.031 0.000 1.114 663 M CB 0.059 32.625 32.600 -0.058 0.000 1.387 663 M HN 0.195 nan 8.290 nan 0.000 0.420 664 M N -0.285 119.272 119.600 -0.072 0.000 2.394 664 M HA 0.010 4.491 4.480 0.002 0.000 0.266 664 M C 1.277 177.650 176.300 0.122 0.000 1.098 664 M CA 0.822 56.123 55.300 0.003 0.000 1.149 664 M CB -0.912 31.557 32.600 -0.218 0.000 1.369 664 M HN 0.347 nan 8.290 nan 0.000 0.450 665 N N 1.125 119.857 118.700 0.053 0.000 2.354 665 N HA -0.101 4.639 4.740 0.002 0.000 0.179 665 N C 1.119 176.651 175.510 0.036 0.000 1.021 665 N CA 1.038 54.119 53.050 0.052 0.000 0.887 665 N CB -0.146 38.341 38.487 0.000 0.000 0.974 665 N HN 0.252 nan 8.380 nan 0.000 0.437 666 D N 1.016 121.437 120.400 0.034 0.000 2.084 666 D HA -0.090 4.551 4.640 0.002 0.000 0.196 666 D C 1.920 178.298 176.300 0.130 0.000 0.985 666 D CA 0.918 54.946 54.000 0.047 0.000 0.826 666 D CB -0.201 40.683 40.800 0.139 0.000 0.978 666 D HN 0.302 nan 8.370 nan 0.000 0.456 667 Q N -0.331 119.549 119.800 0.133 0.000 2.112 667 Q HA -0.169 4.172 4.340 0.002 0.000 0.206 667 Q C 1.969 177.986 176.000 0.028 0.000 0.987 667 Q CA 0.744 56.588 55.803 0.068 0.000 0.858 667 Q CB -0.057 28.709 28.738 0.047 0.000 0.905 667 Q HN 0.201 nan 8.270 nan 0.000 0.420 668 L N 0.310 121.616 121.223 0.139 0.000 2.005 668 L HA -0.145 4.196 4.340 0.002 0.000 0.207 668 L C 2.297 179.317 176.870 0.251 0.000 1.072 668 L CA 1.689 56.667 54.840 0.231 0.000 0.744 668 L CB -1.056 41.206 42.059 0.337 0.000 0.895 668 L HN 0.351 nan 8.230 nan 0.000 0.433 669 M N -1.563 118.133 119.600 0.160 0.000 2.065 669 M HA -0.285 4.196 4.480 0.002 0.000 0.259 669 M C 1.926 178.198 176.300 -0.046 0.000 1.069 669 M CA 2.026 57.364 55.300 0.064 0.000 1.110 669 M CB -0.271 32.212 32.600 -0.195 0.000 1.328 669 M HN 0.116 nan 8.290 nan 0.000 0.405 670 F N 0.435 120.416 119.950 0.052 0.000 2.771 670 F HA -0.051 4.477 4.527 0.001 0.000 0.299 670 F C 1.694 177.452 175.800 -0.070 0.000 1.177 670 F CA 0.273 58.266 58.000 -0.012 0.000 1.450 670 F CB -0.825 38.148 39.000 -0.046 0.000 1.114 670 F HN 0.246 nan 8.300 nan 0.000 0.587 671 L N 0.398 121.666 121.223 0.075 0.000 2.044 671 L HA -0.116 4.225 4.340 0.002 0.000 0.205 671 L C 2.289 179.110 176.870 -0.082 0.000 1.075 671 L CA 1.881 56.687 54.840 -0.056 0.000 0.747 671 L CB -0.914 41.117 42.059 -0.048 0.000 0.903 671 L HN 0.062 nan 8.230 nan 0.000 0.435 672 E N -0.082 120.158 120.200 0.067 0.000 2.118 672 E HA -0.283 4.068 4.350 0.002 0.000 0.195 672 E C 2.318 178.967 176.600 0.082 0.000 0.992 672 E CA 1.141 57.663 56.400 0.204 0.000 0.804 672 E CB -0.201 29.646 29.700 0.246 0.000 0.741 672 E HN 0.332 nan 8.360 nan 0.000 0.458 673 R N -0.423 120.115 120.500 0.062 0.000 2.249 673 R HA 0.000 4.341 4.340 0.002 0.000 0.230 673 R C 1.738 177.981 176.300 -0.096 0.000 1.121 673 R CA 1.147 57.276 56.100 0.047 0.000 0.997 673 R CB -0.384 30.039 30.300 0.206 0.000 0.867 673 R HN 0.252 nan 8.270 nan 0.000 0.465 674 A N -1.143 121.534 122.820 -0.239 0.000 2.123 674 A HA 0.028 4.349 4.320 0.002 0.000 0.214 674 A C 1.041 178.311 177.584 -0.522 0.000 1.152 674 A CA 0.426 52.220 52.037 -0.406 0.000 0.728 674 A CB -0.254 18.432 19.000 -0.524 0.000 0.814 674 A HN 0.293 nan 8.150 nan 0.000 0.464 675 F N 0.273 120.017 119.950 -0.344 0.000 2.731 675 F HA 0.253 4.781 4.527 0.002 0.000 0.304 675 F C 0.389 175.888 175.800 -0.503 0.000 1.133 675 F CA -0.397 57.301 58.000 -0.504 0.000 1.380 675 F CB 0.007 38.506 39.000 -0.836 0.000 1.079 675 F HN 0.026 nan 8.300 nan 0.000 0.550 676 I N 0.712 121.154 120.570 -0.214 0.000 2.365 676 I HA 0.102 4.273 4.170 0.002 0.000 0.291 676 I C 0.028 176.094 176.117 -0.086 0.000 1.004 676 I CA -0.367 60.849 61.300 -0.140 0.000 1.311 676 I CB 0.783 38.727 38.000 -0.093 0.000 1.401 676 I HN -0.056 nan 8.210 nan 0.000 0.491 677 D N 8.337 128.708 120.400 -0.049 0.000 2.280 677 D HA 0.281 4.922 4.640 0.002 0.000 0.236 677 D C -1.812 174.470 176.300 -0.030 0.000 1.082 677 D CA -1.689 52.296 54.000 -0.024 0.000 0.834 677 D CB 2.644 43.440 40.800 -0.007 0.000 1.100 677 D HN 0.180 nan 8.370 nan 0.000 0.486 678 P HA -0.038 nan 4.420 nan 0.000 0.218 678 P C 1.603 178.869 177.300 -0.056 0.000 1.149 678 P CA 0.664 63.740 63.100 -0.041 0.000 0.817 678 P CB 0.330 32.009 31.700 -0.035 0.000 0.785 679 L N -2.076 119.117 121.223 -0.050 0.000 2.456 679 L HA 0.029 4.370 4.340 0.002 0.000 0.224 679 L C 1.263 178.084 176.870 -0.080 0.000 1.148 679 L CA 0.481 55.283 54.840 -0.064 0.000 0.825 679 L CB -1.516 40.515 42.059 -0.047 0.000 0.937 679 L HN 0.120 nan 8.230 nan 0.000 0.450 680 G N 0.281 109.042 108.800 -0.065 0.000 2.915 680 G HA2 -0.281 3.680 3.960 0.002 0.000 0.337 680 G HA3 -0.281 3.680 3.960 0.002 0.000 0.337 680 G C -0.350 174.533 174.900 -0.028 0.000 1.477 680 G CA -0.608 44.460 45.100 -0.054 0.000 0.916 680 G HN 0.111 nan 8.290 nan 0.000 0.550 681 L N 1.083 122.310 121.223 0.006 0.000 2.464 681 L HA 0.388 4.729 4.340 0.002 0.000 0.264 681 L C -1.656 175.207 176.870 -0.012 0.000 1.199 681 L CA -1.719 53.131 54.840 0.016 0.000 0.818 681 L CB 0.472 42.563 42.059 0.053 0.000 1.102 681 L HN 0.345 nan 8.230 nan 0.000 0.473 682 P HA 0.049 nan 4.420 nan 0.000 0.267 682 P C -0.485 176.796 177.300 -0.032 0.000 1.209 682 P CA 0.345 63.430 63.100 -0.026 0.000 0.763 682 P CB 0.462 32.152 31.700 -0.016 0.000 0.816 683 D N 1.102 121.469 120.400 -0.055 0.000 2.653 683 D HA -0.182 4.459 4.640 0.002 0.000 0.184 683 D C -0.063 176.185 176.300 -0.087 0.000 0.993 683 D CA 1.286 55.248 54.000 -0.065 0.000 1.027 683 D CB -0.880 39.894 40.800 -0.044 0.000 1.089 683 D HN 0.563 nan 8.370 nan 0.000 0.447 684 R N 0.521 120.973 120.500 -0.080 0.000 2.477 684 R HA 0.275 4.616 4.340 0.002 0.000 0.285 684 R C -1.948 174.236 176.300 -0.193 0.000 1.415 684 R CA -1.408 54.615 56.100 -0.128 0.000 1.446 684 R CB 1.318 31.612 30.300 -0.010 0.000 1.110 684 R HN 0.004 nan 8.270 nan 0.000 0.590 685 P HA -0.160 nan 4.420 nan 0.000 0.220 685 P C 0.224 177.146 177.300 -0.630 0.000 1.144 685 P CA 1.290 64.074 63.100 -0.526 0.000 0.800 685 P CB 0.141 31.370 31.700 -0.784 0.000 0.772 686 F N -2.981 116.830 119.950 -0.231 0.000 2.639 686 F HA 0.221 4.749 4.527 0.002 0.000 0.300 686 F C 0.441 176.159 175.800 -0.137 0.000 1.109 686 F CA -0.394 57.464 58.000 -0.236 0.000 1.335 686 F CB -0.307 38.501 39.000 -0.321 0.000 1.014 686 F HN -0.196 nan 8.300 nan 0.000 0.537 687 Y N 1.084 121.387 120.300 0.004 0.000 2.464 687 Y HA 0.442 4.993 4.550 0.002 0.000 0.326 687 Y C 0.932 176.824 175.900 -0.013 0.000 0.969 687 Y CA -1.643 56.457 58.100 0.000 0.000 1.270 687 Y CB 0.664 39.114 38.460 -0.016 0.000 1.103 687 Y HN 0.095 nan 8.280 nan 0.000 0.491 688 R N -0.217 120.381 120.500 0.163 0.000 2.446 688 R HA 0.092 4.433 4.340 0.002 0.000 0.254 688 R C 0.106 176.434 176.300 0.046 0.000 0.918 688 R CA -0.348 55.792 56.100 0.067 0.000 1.069 688 R CB 0.690 31.004 30.300 0.022 0.000 1.194 688 R HN 0.407 nan 8.270 nan 0.000 0.534 689 H N 1.567 120.620 119.070 -0.028 0.000 3.004 689 H HA 0.029 4.586 4.556 0.002 0.000 0.316 689 H C 0.983 176.289 175.328 -0.037 0.000 1.014 689 H CA 0.438 56.447 56.048 -0.064 0.000 1.454 689 H CB 1.241 30.895 29.762 -0.180 0.000 1.472 689 H HN -0.162 nan 8.280 nan 0.000 0.571 690 V N 6.641 126.587 119.914 0.053 0.000 3.406 690 V HA -0.129 3.992 4.120 0.002 0.000 0.263 690 V C 1.955 178.097 176.094 0.080 0.000 1.172 690 V CA 0.532 62.885 62.300 0.088 0.000 1.140 690 V CB -0.123 31.749 31.823 0.082 0.000 0.784 690 V HN 0.653 nan 8.190 nan 0.000 0.467 691 I N -1.274 119.343 120.570 0.078 0.000 2.810 691 I HA 0.169 4.340 4.170 0.002 0.000 0.262 691 I C 0.435 176.150 176.117 -0.670 0.000 1.131 691 I CA 0.953 61.993 61.300 -0.434 0.000 1.453 691 I CB -0.296 37.339 38.000 -0.609 0.000 1.161 691 I HN 0.233 nan 8.210 nan 0.000 0.444 692 Y N 0.205 120.403 120.300 -0.170 0.000 2.477 692 Y HA 0.730 5.281 4.550 0.002 0.000 0.347 692 Y C 0.054 175.841 175.900 -0.188 0.000 0.981 692 Y CA -0.962 56.987 58.100 -0.251 0.000 1.033 692 Y CB 1.736 40.052 38.460 -0.239 0.000 1.245 692 Y HN -0.006 nan 8.280 nan 0.000 0.455 693 A N 2.309 125.089 122.820 -0.068 0.000 2.593 693 A HA 0.851 5.172 4.320 0.002 0.000 0.290 693 A C -3.181 174.242 177.584 -0.268 0.000 1.126 693 A CA -2.289 49.607 52.037 -0.234 0.000 0.695 693 A CB 1.374 20.213 19.000 -0.269 0.000 1.290 693 A HN 0.434 nan 8.150 nan 0.000 0.414 694 P HA 0.085 nan 4.420 nan 0.000 0.265 694 P C 0.034 177.165 177.300 -0.282 0.000 1.187 694 P CA 0.405 63.304 63.100 -0.334 0.000 0.766 694 P CB 0.573 32.023 31.700 -0.417 0.000 0.820 695 S N 2.380 117.928 115.700 -0.253 0.000 2.546 695 S HA -0.005 4.466 4.470 0.002 0.000 0.290 695 S C 1.310 175.727 174.600 -0.305 0.000 1.290 695 S CA -0.003 58.029 58.200 -0.279 0.000 1.069 695 S CB -0.271 62.788 63.200 -0.236 0.000 0.846 695 S HN 0.335 nan 8.310 nan 0.000 0.495 696 S N 3.575 119.018 115.700 -0.429 0.000 2.507 696 S HA -0.033 4.438 4.470 0.002 0.000 0.235 696 S C 1.003 175.265 174.600 -0.563 0.000 0.988 696 S CA 0.553 58.467 58.200 -0.477 0.000 0.944 696 S CB -0.312 62.559 63.200 -0.548 0.000 0.762 696 S HN 0.828 nan 8.310 nan 0.000 0.526 697 H N 0.012 118.975 119.070 -0.178 0.000 2.622 697 H HA 0.348 4.905 4.556 0.001 0.000 0.269 697 H C 0.213 175.465 175.328 -0.126 0.000 0.977 697 H CA 0.083 56.036 56.048 -0.157 0.000 1.179 697 H CB 0.216 29.874 29.762 -0.173 0.000 1.458 697 H HN 0.281 nan 8.280 nan 0.000 0.531 698 N N 0.742 119.381 118.700 -0.101 0.000 3.507 698 N HA -0.042 4.699 4.740 0.002 0.000 0.212 698 N C 0.437 175.794 175.510 -0.255 0.000 1.340 698 N CA -0.189 52.764 53.050 -0.161 0.000 0.844 698 N CB 0.902 39.283 38.487 -0.177 0.000 1.647 698 N HN 0.013 nan 8.380 nan 0.000 0.694 699 K N 1.976 122.215 120.400 -0.268 0.000 2.283 699 K HA -0.082 4.239 4.320 0.002 0.000 0.202 699 K C 0.334 176.764 176.600 -0.284 0.000 1.048 699 K CA 1.072 57.164 56.287 -0.325 0.000 0.948 699 K CB -0.019 32.195 32.500 -0.478 0.000 0.742 699 K HN 0.447 nan 8.250 nan 0.000 0.458 700 Y N 0.545 120.627 120.300 -0.364 0.000 2.373 700 Y HA 0.113 4.664 4.550 0.001 0.000 0.293 700 Y C 0.989 176.598 175.900 -0.484 0.000 1.129 700 Y CA 0.140 57.991 58.100 -0.414 0.000 1.226 700 Y CB -0.291 37.834 38.460 -0.558 0.000 1.000 700 Y HN 0.068 nan 8.280 nan 0.000 0.549 701 A N 0.153 122.707 122.820 -0.445 0.000 2.274 701 A HA 0.620 4.941 4.320 0.002 0.000 0.309 701 A C 0.750 178.259 177.584 -0.125 0.000 1.226 701 A CA -0.054 51.826 52.037 -0.262 0.000 0.853 701 A CB -0.007 18.804 19.000 -0.315 0.000 1.146 701 A HN 0.270 nan 8.150 nan 0.000 0.518 702 G N 0.980 109.755 108.800 -0.042 0.000 2.467 702 G HA2 0.489 4.450 3.960 0.002 0.000 0.257 702 G HA3 0.489 4.450 3.960 0.002 0.000 0.257 702 G C -0.302 174.539 174.900 -0.097 0.000 1.227 702 G CA -0.109 44.950 45.100 -0.068 0.000 0.835 702 G HN 0.845 nan 8.290 nan 0.000 0.556 703 E N -0.188 119.927 120.200 -0.143 0.000 2.312 703 E HA 0.581 4.932 4.350 0.002 0.000 0.267 703 E C -0.142 176.296 176.600 -0.270 0.000 0.894 703 E CA -0.757 55.495 56.400 -0.248 0.000 0.773 703 E CB 1.722 31.198 29.700 -0.373 0.000 1.241 703 E HN 0.564 nan 8.360 nan 0.000 0.432 704 S N 2.130 117.575 115.700 -0.425 0.000 2.593 704 S HA 0.508 4.979 4.470 0.002 0.000 0.297 704 S C -0.444 173.940 174.600 -0.359 0.000 1.112 704 S CA -0.633 57.166 58.200 -0.669 0.000 1.043 704 S CB 0.266 62.675 63.200 -1.318 0.000 1.054 704 S HN 0.601 nan 8.310 nan 0.000 0.516 705 F N 0.268 120.079 119.950 -0.232 0.000 2.783 705 F HA -0.092 4.436 4.527 0.002 0.000 0.222 705 F C -1.364 174.431 175.800 -0.009 0.000 1.028 705 F CA 0.234 58.190 58.000 -0.073 0.000 0.862 705 F CB -1.936 37.068 39.000 0.007 0.000 0.744 705 F HN 0.543 nan 8.300 nan 0.000 0.850 706 P HA -0.164 nan 4.420 nan 0.000 0.216 706 P C 1.905 179.279 177.300 0.123 0.000 1.150 706 P CA 1.991 65.118 63.100 0.046 0.000 0.837 706 P CB 0.012 31.686 31.700 -0.043 0.000 0.786 707 G N 0.378 109.252 108.800 0.124 0.000 2.440 707 G HA2 -0.215 3.746 3.960 0.002 0.000 0.218 707 G HA3 -0.215 3.746 3.960 0.002 0.000 0.218 707 G C 1.636 176.601 174.900 0.109 0.000 1.154 707 G CA 0.676 45.837 45.100 0.101 0.000 0.767 707 G HN 0.271 nan 8.290 nan 0.000 0.552 708 I N -1.450 119.216 120.570 0.160 0.000 2.494 708 I HA 0.025 4.196 4.170 0.002 0.000 0.250 708 I C 2.395 178.618 176.117 0.178 0.000 1.112 708 I CA 0.478 61.866 61.300 0.147 0.000 1.438 708 I CB -0.353 37.755 38.000 0.181 0.000 1.111 708 I HN 0.179 nan 8.210 nan 0.000 0.431 709 Y N 2.457 122.830 120.300 0.122 0.000 2.097 709 Y HA -0.337 4.214 4.550 0.001 0.000 0.282 709 Y C 2.175 178.152 175.900 0.128 0.000 1.152 709 Y CA 1.958 60.137 58.100 0.131 0.000 1.136 709 Y CB -0.218 38.310 38.460 0.114 0.000 0.975 709 Y HN 0.151 nan 8.280 nan 0.000 0.498 710 D N -0.134 120.459 120.400 0.321 0.000 2.265 710 D HA -0.149 4.492 4.640 0.002 0.000 0.208 710 D C 1.935 178.287 176.300 0.086 0.000 0.977 710 D CA 1.199 55.312 54.000 0.189 0.000 0.871 710 D CB -0.227 40.637 40.800 0.108 0.000 0.925 710 D HN 0.539 nan 8.370 nan 0.000 0.485 711 A N -0.295 122.536 122.820 0.018 0.000 1.956 711 A HA 0.093 4.414 4.320 0.002 0.000 0.212 711 A C 2.259 179.730 177.584 -0.188 0.000 1.188 711 A CA 0.065 52.056 52.037 -0.078 0.000 0.675 711 A CB -0.335 18.606 19.000 -0.098 0.000 0.845 711 A HN 0.143 nan 8.150 nan 0.000 0.455 712 L N -1.406 119.708 121.223 -0.182 0.000 2.056 712 L HA -0.024 4.317 4.340 0.002 0.000 0.207 712 L C 1.146 177.885 176.870 -0.218 0.000 1.078 712 L CA 0.173 54.833 54.840 -0.300 0.000 0.749 712 L CB -0.487 41.453 42.059 -0.198 0.000 0.901 712 L HN 0.410 nan 8.230 nan 0.000 0.433 713 F N 2.150 121.930 119.950 -0.284 0.000 2.594 713 F HA -0.231 4.297 4.527 0.001 0.000 0.384 713 F C 1.234 177.002 175.800 -0.053 0.000 1.060 713 F CA 0.717 58.615 58.000 -0.171 0.000 1.278 713 F CB -0.099 38.888 39.000 -0.022 0.000 0.977 713 F HN 0.203 nan 8.300 nan 0.000 0.576 714 D N 4.280 124.227 120.400 -0.754 0.000 2.733 714 D HA -0.308 4.333 4.640 0.002 0.000 0.232 714 D C 1.072 177.267 176.300 -0.175 0.000 1.161 714 D CA 1.248 54.972 54.000 -0.459 0.000 0.653 714 D CB -1.233 39.385 40.800 -0.303 0.000 1.052 714 D HN 0.665 nan 8.370 nan 0.000 0.424 715 I N -0.087 120.384 120.570 -0.166 0.000 2.353 715 I HA -0.234 3.937 4.170 0.002 0.000 0.248 715 I C 1.767 177.861 176.117 -0.037 0.000 1.119 715 I CA 1.106 62.300 61.300 -0.177 0.000 1.417 715 I CB 0.087 37.826 38.000 -0.435 0.000 1.078 715 I HN 0.054 nan 8.210 nan 0.000 0.421 716 E N 0.969 121.205 120.200 0.061 0.000 2.086 716 E HA -0.244 4.107 4.350 0.002 0.000 0.200 716 E C 2.012 178.624 176.600 0.019 0.000 1.012 716 E CA 1.838 58.293 56.400 0.092 0.000 0.812 716 E CB -0.835 28.909 29.700 0.073 0.000 0.743 716 E HN 0.402 nan 8.360 nan 0.000 0.453 717 S N 0.500 116.177 115.700 -0.038 0.000 2.584 717 S HA -0.054 4.417 4.470 0.002 0.000 0.240 717 S C 0.436 175.034 174.600 -0.003 0.000 0.975 717 S CA 0.539 58.718 58.200 -0.035 0.000 0.949 717 S CB -0.230 62.936 63.200 -0.056 0.000 0.761 717 S HN 0.187 nan 8.310 nan 0.000 0.536 718 K N 0.979 121.379 120.400 0.001 0.000 2.234 718 K HA 0.279 4.600 4.320 0.002 0.000 0.282 718 K C 0.923 177.536 176.600 0.022 0.000 1.039 718 K CA -0.357 55.931 56.287 0.002 0.000 0.928 718 K CB 1.348 33.829 32.500 -0.032 0.000 1.039 718 K HN -0.140 nan 8.250 nan 0.000 0.470 719 V N 1.143 121.070 119.914 0.020 0.000 2.278 719 V HA -0.233 3.887 4.120 0.002 0.000 0.251 719 V C 0.883 176.999 176.094 0.037 0.000 1.062 719 V CA 1.814 64.130 62.300 0.027 0.000 1.038 719 V CB -0.279 31.557 31.823 0.020 0.000 0.646 719 V HN 0.851 nan 8.190 nan 0.000 0.447 720 D N -0.996 119.420 120.400 0.027 0.000 2.458 720 D HA 0.230 4.871 4.640 0.002 0.000 0.258 720 D C -1.984 174.337 176.300 0.034 0.000 1.134 720 D CA -2.154 51.866 54.000 0.033 0.000 0.915 720 D CB 1.722 42.531 40.800 0.014 0.000 1.028 720 D HN 0.158 nan 8.370 nan 0.000 0.508 721 P HA -0.090 nan 4.420 nan 0.000 0.221 721 P C 1.417 178.729 177.300 0.020 0.000 1.150 721 P CA 0.579 63.775 63.100 0.160 0.000 0.800 721 P CB 0.368 32.244 31.700 0.294 0.000 0.787 722 S N -0.880 114.810 115.700 -0.016 0.000 2.387 722 S HA -0.128 4.343 4.470 0.002 0.000 0.226 722 S C 2.122 176.608 174.600 -0.189 0.000 1.026 722 S CA 1.207 59.278 58.200 -0.214 0.000 0.972 722 S CB -0.662 62.589 63.200 0.084 0.000 0.814 722 S HN -0.104 nan 8.310 nan 0.000 0.477 723 K N 0.750 121.098 120.400 -0.088 0.000 2.057 723 K HA 0.280 4.601 4.320 0.002 0.000 0.206 723 K C 2.571 179.099 176.600 -0.119 0.000 1.050 723 K CA 1.064 57.303 56.287 -0.080 0.000 0.935 723 K CB -1.272 31.200 32.500 -0.046 0.000 0.715 723 K HN 0.625 nan 8.250 nan 0.000 0.439 724 A N -0.557 122.176 122.820 -0.144 0.000 1.865 724 A HA -0.179 4.142 4.320 0.002 0.000 0.217 724 A C 2.105 179.476 177.584 -0.355 0.000 1.191 724 A CA 1.925 53.815 52.037 -0.246 0.000 0.623 724 A CB -1.049 17.776 19.000 -0.292 0.000 0.826 724 A HN 0.700 nan 8.150 nan 0.000 0.444 725 W N -0.244 120.869 121.300 -0.311 0.000 2.363 725 W HA 0.028 4.689 4.660 0.002 0.000 0.296 725 W C 2.543 178.898 176.519 -0.274 0.000 1.212 725 W CA 1.113 58.247 57.345 -0.352 0.000 1.260 725 W CB -0.640 28.462 29.460 -0.596 0.000 1.131 725 W HN 0.404 nan 8.180 nan 0.000 0.530 726 G N 0.124 108.860 108.800 -0.107 0.000 2.469 726 G HA2 -0.369 3.592 3.960 0.002 0.000 0.219 726 G HA3 -0.369 3.592 3.960 0.002 0.000 0.219 726 G C 1.291 176.154 174.900 -0.062 0.000 1.150 726 G CA 1.641 46.698 45.100 -0.072 0.000 0.763 726 G HN 0.281 nan 8.290 nan 0.000 0.561 727 E N 0.125 120.268 120.200 -0.095 0.000 2.112 727 E HA -0.026 4.325 4.350 0.002 0.000 0.190 727 E C 2.614 179.162 176.600 -0.087 0.000 0.979 727 E CA 0.684 57.036 56.400 -0.080 0.000 0.814 727 E CB -0.379 29.267 29.700 -0.090 0.000 0.762 727 E HN 0.167 nan 8.360 nan 0.000 0.460 728 V N 1.294 121.116 119.914 -0.152 0.000 2.317 728 V HA -0.349 3.772 4.120 0.002 0.000 0.251 728 V C 2.204 178.257 176.094 -0.067 0.000 1.065 728 V CA 2.413 64.632 62.300 -0.135 0.000 1.049 728 V CB -0.497 31.195 31.823 -0.219 0.000 0.651 728 V HN 0.284 nan 8.190 nan 0.000 0.450 729 K N -0.452 119.924 120.400 -0.039 0.000 2.001 729 K HA -0.172 4.149 4.320 0.002 0.000 0.208 729 K C 2.404 179.016 176.600 0.020 0.000 1.048 729 K CA 1.473 57.739 56.287 -0.034 0.000 0.932 729 K CB -0.309 32.181 32.500 -0.016 0.000 0.715 729 K HN 0.278 nan 8.250 nan 0.000 0.437 730 R N 1.075 121.597 120.500 0.038 0.000 2.115 730 R HA -0.230 4.111 4.340 0.002 0.000 0.239 730 R C 2.406 178.785 176.300 0.133 0.000 1.133 730 R CA 1.830 58.009 56.100 0.132 0.000 0.935 730 R CB -0.118 30.230 30.300 0.080 0.000 0.853 730 R HN 0.173 nan 8.270 nan 0.000 0.433 731 Q N 0.303 120.129 119.800 0.044 0.000 2.133 731 Q HA -0.213 4.128 4.340 0.002 0.000 0.208 731 Q C 2.154 178.158 176.000 0.007 0.000 0.991 731 Q CA 1.771 57.588 55.803 0.022 0.000 0.867 731 Q CB -0.352 28.395 28.738 0.015 0.000 0.911 731 Q HN 0.517 nan 8.270 nan 0.000 0.417 732 I N -0.455 120.107 120.570 -0.013 0.000 2.286 732 I HA -0.278 3.893 4.170 0.002 0.000 0.248 732 I C 2.223 178.343 176.117 0.005 0.000 1.115 732 I CA 1.256 62.519 61.300 -0.062 0.000 1.392 732 I CB -0.313 37.572 38.000 -0.192 0.000 1.065 732 I HN 0.195 nan 8.210 nan 0.000 0.418 733 Y N 0.569 120.840 120.300 -0.049 0.000 2.420 733 Y HA -0.008 4.543 4.550 0.002 0.000 0.292 733 Y C 2.086 178.019 175.900 0.054 0.000 1.119 733 Y CA 0.771 58.867 58.100 -0.007 0.000 1.229 733 Y CB -0.429 38.015 38.460 -0.026 0.000 1.026 733 Y HN -0.140 nan 8.280 nan 0.000 0.554 734 V N 1.035 120.722 119.914 -0.378 0.000 2.453 734 V HA -0.208 3.913 4.120 0.002 0.000 0.247 734 V C 2.759 178.813 176.094 -0.067 0.000 1.048 734 V CA 1.621 63.746 62.300 -0.292 0.000 1.049 734 V CB -1.428 30.306 31.823 -0.147 0.000 0.672 734 V HN 0.570 nan 8.190 nan 0.000 0.457 735 A N 0.317 123.110 122.820 -0.045 0.000 1.858 735 A HA -0.118 4.203 4.320 0.002 0.000 0.216 735 A C 2.476 180.056 177.584 -0.007 0.000 1.190 735 A CA 2.131 54.163 52.037 -0.008 0.000 0.617 735 A CB -0.963 17.906 19.000 -0.219 0.000 0.827 735 A HN 0.545 nan 8.150 nan 0.000 0.443 736 A N -0.709 122.094 122.820 -0.030 0.000 1.869 736 A HA -0.178 4.143 4.320 0.002 0.000 0.218 736 A C 2.118 179.735 177.584 0.055 0.000 1.203 736 A CA 2.006 54.056 52.037 0.022 0.000 0.638 736 A CB -0.965 18.079 19.000 0.073 0.000 0.831 736 A HN 0.990 nan 8.150 nan 0.000 0.450 737 F N 1.033 120.928 119.950 -0.092 0.000 2.216 737 F HA -0.100 4.428 4.527 0.001 0.000 0.300 737 F C 2.255 178.017 175.800 -0.065 0.000 1.085 737 F CA 2.199 60.146 58.000 -0.089 0.000 1.326 737 F CB -0.708 38.169 39.000 -0.205 0.000 1.027 737 F HN 0.169 nan 8.300 nan 0.000 0.497 738 T N -0.004 114.362 114.554 -0.313 0.000 2.904 738 T HA -0.082 4.268 4.350 0.002 0.000 0.267 738 T C 2.142 176.713 174.700 -0.214 0.000 1.059 738 T CA 1.338 63.212 62.100 -0.376 0.000 1.137 738 T CB -0.347 68.470 68.868 -0.085 0.000 0.879 738 T HN 0.146 nan 8.240 nan 0.000 0.467 739 V N 1.379 121.267 119.914 -0.043 0.000 2.453 739 V HA -0.127 3.994 4.120 0.002 0.000 0.247 739 V C 2.547 178.680 176.094 0.065 0.000 1.048 739 V CA 1.588 63.928 62.300 0.066 0.000 1.049 739 V CB -0.444 31.438 31.823 0.099 0.000 0.672 739 V HN 0.378 nan 8.190 nan 0.000 0.457 740 Q N 0.861 120.638 119.800 -0.039 0.000 2.049 740 Q HA -0.064 4.277 4.340 0.002 0.000 0.198 740 Q C 2.138 178.044 176.000 -0.158 0.000 0.971 740 Q CA 2.187 57.965 55.803 -0.041 0.000 0.833 740 Q CB -0.588 28.136 28.738 -0.023 0.000 0.896 740 Q HN 0.518 nan 8.270 nan 0.000 0.434 741 A N 0.682 123.278 122.820 -0.373 0.000 1.908 741 A HA -0.094 4.226 4.320 0.002 0.000 0.218 741 A C 2.329 179.708 177.584 -0.341 0.000 1.181 741 A CA 2.107 53.876 52.037 -0.447 0.000 0.627 741 A CB -1.339 17.151 19.000 -0.851 0.000 0.818 741 A HN 0.563 nan 8.150 nan 0.000 0.445 742 A N -0.068 122.536 122.820 -0.360 0.000 1.865 742 A HA 0.111 4.432 4.320 0.002 0.000 0.217 742 A C 2.572 180.001 177.584 -0.260 0.000 1.191 742 A CA 2.460 54.256 52.037 -0.403 0.000 0.623 742 A CB -1.289 17.326 19.000 -0.640 0.000 0.826 742 A HN 1.219 nan 8.150 nan 0.000 0.444 743 A N -0.025 122.723 122.820 -0.121 0.000 1.903 743 A HA -0.259 4.062 4.320 0.002 0.000 0.219 743 A C 1.769 179.181 177.584 -0.286 0.000 1.191 743 A CA 1.894 53.743 52.037 -0.314 0.000 0.638 743 A CB -0.723 18.191 19.000 -0.144 0.000 0.823 743 A HN 0.668 nan 8.150 nan 0.000 0.451 744 E N -0.480 119.602 120.200 -0.196 0.000 2.526 744 E HA -0.044 4.307 4.350 0.002 0.000 0.198 744 E C 1.634 178.130 176.600 -0.174 0.000 1.091 744 E CA 0.774 57.079 56.400 -0.158 0.000 0.880 744 E CB -0.262 29.371 29.700 -0.112 0.000 0.873 744 E HN 0.894 nan 8.360 nan 0.000 0.527 745 T N -2.085 112.332 114.554 -0.228 0.000 3.054 745 T HA 0.051 4.402 4.350 0.002 0.000 0.259 745 T C 1.737 176.295 174.700 -0.238 0.000 1.092 745 T CA 0.181 62.155 62.100 -0.211 0.000 1.121 745 T CB 0.022 68.760 68.868 -0.218 0.000 0.912 745 T HN 0.115 nan 8.240 nan 0.000 0.489 746 L N 1.058 122.086 121.223 -0.324 0.000 2.375 746 L HA 0.233 4.574 4.340 0.002 0.000 0.215 746 L C 1.388 178.166 176.870 -0.153 0.000 1.108 746 L CA -0.244 54.326 54.840 -0.449 0.000 0.830 746 L CB -0.323 41.358 42.059 -0.631 0.000 0.959 746 L HN 0.172 nan 8.230 nan 0.000 0.457 747 S N 0.268 115.902 115.700 -0.111 0.000 2.580 747 S HA -0.021 4.449 4.470 0.002 0.000 0.261 747 S C 0.344 174.951 174.600 0.011 0.000 1.366 747 S CA -0.316 57.866 58.200 -0.029 0.000 0.996 747 S CB 0.234 63.404 63.200 -0.050 0.000 0.902 747 S HN 0.191 nan 8.310 nan 0.000 0.566 748 E N 0.964 121.176 120.200 0.021 0.000 2.392 748 E HA 0.021 4.372 4.350 0.002 0.000 0.264 748 E C 1.153 177.754 176.600 0.002 0.000 1.024 748 E CA -0.104 56.309 56.400 0.022 0.000 0.903 748 E CB 0.479 30.186 29.700 0.013 0.000 0.963 748 E HN 0.528 nan 8.360 nan 0.000 0.432 749 V N -0.582 119.332 119.914 0.000 0.000 3.510 749 V HA 0.282 4.403 4.120 0.002 0.000 0.270 749 V C 0.463 176.548 176.094 -0.016 0.000 1.201 749 V CA 1.143 63.436 62.300 -0.013 0.000 1.166 749 V CB -0.756 31.060 31.823 -0.012 0.000 0.825 749 V HN 0.654 nan 8.190 nan 0.000 0.484 750 A N 0.000 122.813 122.820 -0.012 0.000 2.254 750 A HA 0.000 4.321 4.320 0.002 0.000 0.244 750 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 750 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 750 A HN 0.000 nan 8.150 nan 0.000 0.486