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 3hjb_1_B DATA FIRST_RESID 0 DATA SEQUENCE AMLKNINPTQ TQAWKALTAH FESAQDMDLK ALFAQDSERF AKYSARFGQD DATA SEQUENCE ILVDYSKNLV NAETMQHLFA LAKETDLQSA ITAMFKGEAI NQTEDRAVLH DATA SEQUENCE TALRNRSNSP VLVNGEDVMP AVNAVLAKMK AFSERVIGGE WKGFTGKAIT DATA SEQUENCE DVVNIGIGGS DLGPYMVTEA LVPYKNHLTV HFVSNVDGTH MAETLKNVDP DATA SEQUENCE ETTLFLVASK TFTTQETMTN AHTARDWFLK AAGDEAHVAK HFAALSTNGK DATA SEQUENCE AVAEFGIDTD NMFEFWDWVG GRYSLWSAIG LSIILSIGYD NFVELLAGAH DATA SEQUENCE EMDQHFVNTP FESNIPVILA LIGIWYNNFH GAESEAILPY DQYLHRFAAY DATA SEQUENCE FQQGNMESNG KYVDRNGNPV TYQTGPIIWG EPGTNGQHAF YQLIHQGTKL DATA SEQUENCE IPCDFIAPAV SHNLVGDHHQ KLMSNFFAQT EALAFGKSAQ AVQAELEKAG DATA SEQUENCE KSAAEIAALV PFKVFEGNRP TNSILVKQIT PRTLGNLIAM YEHKIFVQGV DATA SEQUENCE IWNIFSFDQW GVELGKQLAN QILPELADSA AVTSHDSSTN GLINAFKAFR DATA SEQUENCE A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.622 177.584 0.063 0.000 1.274 0 A CA 0.000 52.075 52.037 0.063 0.000 0.836 0 A CB 0.000 19.051 19.000 0.085 0.000 0.831 1 M N 0.679 120.319 119.600 0.066 0.000 2.254 1 M HA 0.013 4.483 4.480 -0.017 0.000 0.265 1 M C 0.883 177.236 176.300 0.087 0.000 1.066 1 M CA 1.172 56.512 55.300 0.067 0.000 1.123 1 M CB -1.044 31.594 32.600 0.063 0.000 1.388 1 M HN 0.682 nan 8.290 nan 0.000 0.425 2 L N 2.547 123.838 121.223 0.113 0.000 2.418 2 L HA 0.132 4.462 4.340 -0.017 0.000 0.274 2 L C 0.152 177.078 176.870 0.095 0.000 1.135 2 L CA 0.201 55.119 54.840 0.129 0.000 0.870 2 L CB 0.135 42.304 42.059 0.183 0.000 1.154 2 L HN -0.068 nan 8.230 nan 0.000 0.462 3 K N 3.725 124.165 120.400 0.067 0.000 2.109 3 K HA 0.398 4.708 4.320 -0.017 0.000 0.243 3 K C -0.382 176.229 176.600 0.018 0.000 1.006 3 K CA -0.524 55.789 56.287 0.043 0.000 0.917 3 K CB 0.596 33.116 32.500 0.033 0.000 1.081 3 K HN 0.492 nan 8.250 nan 0.000 0.468 4 N N 1.079 119.782 118.700 0.004 0.000 2.644 4 N HA 0.275 5.004 4.740 -0.017 0.000 0.313 4 N C -0.606 174.887 175.510 -0.027 0.000 1.863 4 N CA -0.193 52.841 53.050 -0.027 0.000 0.918 4 N CB 0.077 38.550 38.487 -0.023 0.000 1.320 4 N HN 0.389 nan 8.380 nan 0.000 0.490 5 I N 0.746 121.300 120.570 -0.027 0.000 2.471 5 I HA 0.036 4.196 4.170 -0.017 0.000 0.286 5 I C 0.835 176.913 176.117 -0.065 0.000 1.079 5 I CA -0.417 60.863 61.300 -0.034 0.000 1.398 5 I CB 0.457 38.444 38.000 -0.020 0.000 1.403 5 I HN 0.085 nan 8.210 nan 0.000 0.530 6 N N 10.076 128.729 118.700 -0.079 0.000 2.416 6 N HA 0.090 4.820 4.740 -0.017 0.000 0.265 6 N C -1.513 173.840 175.510 -0.262 0.000 1.195 6 N CA -1.947 51.021 53.050 -0.136 0.000 0.943 6 N CB 1.115 39.546 38.487 -0.093 0.000 1.115 6 N HN 0.321 nan 8.380 nan 0.000 0.481 7 P HA -0.127 nan 4.420 nan 0.000 0.220 7 P C 0.937 177.774 177.300 -0.771 0.000 1.148 7 P CA 1.348 64.147 63.100 -0.500 0.000 0.803 7 P CB -0.071 31.253 31.700 -0.626 0.000 0.782 8 T N -3.760 110.147 114.554 -1.078 0.000 3.072 8 T HA -0.046 4.294 4.350 -0.017 0.000 0.266 8 T C 1.622 176.101 174.700 -0.369 0.000 1.127 8 T CA 0.726 62.167 62.100 -1.098 0.000 1.107 8 T CB -0.578 67.828 68.868 -0.769 0.000 0.910 8 T HN 0.034 nan 8.240 nan 0.000 0.513 9 Q N 2.072 121.734 119.800 -0.230 0.000 2.319 9 Q HA 0.155 4.485 4.340 -0.017 0.000 0.202 9 Q C 1.093 177.086 176.000 -0.012 0.000 0.896 9 Q CA 0.352 56.108 55.803 -0.077 0.000 0.942 9 Q CB 0.127 28.827 28.738 -0.064 0.000 1.083 9 Q HN 0.817 nan 8.270 nan 0.000 0.510 10 T N -2.487 112.071 114.554 0.007 0.000 2.899 10 T HA 0.170 4.510 4.350 -0.017 0.000 0.295 10 T C 1.181 175.951 174.700 0.117 0.000 1.033 10 T CA -0.394 61.747 62.100 0.068 0.000 1.084 10 T CB 1.422 70.348 68.868 0.095 0.000 0.979 10 T HN 0.047 nan 8.240 nan 0.000 0.532 11 Q N 1.035 120.888 119.800 0.088 0.000 2.124 11 Q HA -0.085 4.245 4.340 -0.017 0.000 0.202 11 Q C 2.643 178.692 176.000 0.081 0.000 0.977 11 Q CA 1.424 57.273 55.803 0.078 0.000 0.850 11 Q CB -0.483 28.287 28.738 0.054 0.000 0.901 11 Q HN 0.941 nan 8.270 nan 0.000 0.429 12 A N 0.800 123.681 122.820 0.103 0.000 1.902 12 A HA -0.196 4.114 4.320 -0.017 0.000 0.217 12 A C 1.728 179.373 177.584 0.102 0.000 1.181 12 A CA 0.965 53.050 52.037 0.081 0.000 0.623 12 A CB -0.990 18.079 19.000 0.114 0.000 0.818 12 A HN 0.651 nan 8.150 nan 0.000 0.443 13 W N 1.054 122.373 121.300 0.031 0.000 2.381 13 W HA -0.134 4.515 4.660 -0.018 0.000 0.301 13 W C 1.782 178.371 176.519 0.116 0.000 1.205 13 W CA 1.931 59.352 57.345 0.127 0.000 1.285 13 W CB -0.239 29.299 29.460 0.130 0.000 1.133 13 W HN 0.357 nan 8.180 nan 0.000 0.521 14 K N 0.124 120.709 120.400 0.309 0.000 2.097 14 K HA -0.136 4.173 4.320 -0.017 0.000 0.206 14 K C 2.280 178.900 176.600 0.032 0.000 1.049 14 K CA 1.587 57.986 56.287 0.188 0.000 0.933 14 K CB -0.498 32.088 32.500 0.143 0.000 0.717 14 K HN 0.044 nan 8.250 nan 0.000 0.442 15 A N 1.325 124.086 122.820 -0.100 0.000 1.930 15 A HA -0.111 4.198 4.320 -0.017 0.000 0.217 15 A C 2.108 179.441 177.584 -0.419 0.000 1.175 15 A CA 1.163 52.981 52.037 -0.365 0.000 0.627 15 A CB -0.554 18.035 19.000 -0.684 0.000 0.815 15 A HN 0.146 nan 8.150 nan 0.000 0.443 16 L N -0.772 120.235 121.223 -0.360 0.000 2.046 16 L HA -0.156 4.173 4.340 -0.017 0.000 0.208 16 L C 2.797 179.563 176.870 -0.173 0.000 1.077 16 L CA 1.717 56.317 54.840 -0.400 0.000 0.747 16 L CB -0.777 40.721 42.059 -0.935 0.000 0.896 16 L HN 0.337 nan 8.230 nan 0.000 0.432 17 T N -0.190 114.373 114.554 0.016 0.000 2.708 17 T HA -0.202 4.137 4.350 -0.017 0.000 0.266 17 T C 1.997 176.817 174.700 0.200 0.000 1.037 17 T CA 1.418 63.660 62.100 0.237 0.000 1.146 17 T CB -0.264 68.754 68.868 0.249 0.000 0.865 17 T HN 0.456 nan 8.240 nan 0.000 0.435 18 A N 1.021 123.913 122.820 0.120 0.000 1.902 18 A HA -0.166 4.144 4.320 -0.017 0.000 0.217 18 A C 2.054 179.737 177.584 0.164 0.000 1.181 18 A CA 2.198 54.304 52.037 0.115 0.000 0.623 18 A CB -0.911 18.127 19.000 0.063 0.000 0.818 18 A HN 0.649 nan 8.150 nan 0.000 0.443 19 H N -1.537 117.576 119.070 0.071 0.000 2.353 19 H HA -0.122 4.424 4.556 -0.016 0.000 0.300 19 H C 1.636 177.104 175.328 0.234 0.000 1.090 19 H CA 1.906 58.035 56.048 0.135 0.000 1.327 19 H CB -0.492 29.350 29.762 0.134 0.000 1.383 19 H HN 0.431 nan 8.280 nan 0.000 0.508 20 F N 1.277 121.276 119.950 0.082 0.000 2.134 20 F HA -0.112 4.404 4.527 -0.018 0.000 0.299 20 F C 2.460 178.218 175.800 -0.070 0.000 1.097 20 F CA 1.853 59.831 58.000 -0.036 0.000 1.264 20 F CB -0.288 38.645 39.000 -0.111 0.000 1.001 20 F HN 0.286 nan 8.300 nan 0.000 0.479 21 E N 0.429 120.661 120.200 0.054 0.000 2.085 21 E HA -0.207 4.133 4.350 -0.017 0.000 0.194 21 E C 2.060 178.592 176.600 -0.114 0.000 0.994 21 E CA 2.039 58.421 56.400 -0.030 0.000 0.801 21 E CB -0.494 29.248 29.700 0.071 0.000 0.743 21 E HN 0.412 nan 8.360 nan 0.000 0.453 22 S N -1.496 114.166 115.700 -0.064 0.000 2.524 22 S HA 0.347 4.807 4.470 -0.017 0.000 0.216 22 S C 1.386 175.939 174.600 -0.078 0.000 0.987 22 S CA 0.218 58.393 58.200 -0.041 0.000 0.909 22 S CB 0.774 63.995 63.200 0.035 0.000 0.781 22 S HN 0.332 nan 8.310 nan 0.000 0.521 23 A N 1.293 124.006 122.820 -0.178 0.000 2.661 23 A HA 0.293 4.603 4.320 -0.017 0.000 0.278 23 A C 1.690 179.134 177.584 -0.233 0.000 1.090 23 A CA 0.069 52.004 52.037 -0.170 0.000 0.969 23 A CB -0.146 18.755 19.000 -0.166 0.000 1.240 23 A HN 0.503 nan 8.150 nan 0.000 0.578 24 Q N 0.027 119.542 119.800 -0.475 0.000 2.297 24 Q HA -0.173 4.157 4.340 -0.017 0.000 0.208 24 Q C -0.135 175.734 176.000 -0.218 0.000 0.981 24 Q CA 1.546 56.950 55.803 -0.666 0.000 0.876 24 Q CB -0.398 27.514 28.738 -1.377 0.000 0.921 24 Q HN 0.384 nan 8.270 nan 0.000 0.446 25 D N 0.470 120.788 120.400 -0.136 0.000 2.325 25 D HA 0.109 4.738 4.640 -0.017 0.000 0.225 25 D C 0.266 176.583 176.300 0.028 0.000 1.096 25 D CA -0.024 53.957 54.000 -0.031 0.000 0.844 25 D CB -0.064 40.714 40.800 -0.037 0.000 0.925 25 D HN 0.345 nan 8.370 nan 0.000 0.513 26 M N 1.353 120.984 119.600 0.051 0.000 2.240 26 M HA -0.129 4.340 4.480 -0.017 0.000 0.346 26 M C -0.347 176.018 176.300 0.108 0.000 1.236 26 M CA 0.880 56.234 55.300 0.090 0.000 0.986 26 M CB 0.328 33.011 32.600 0.139 0.000 1.786 26 M HN -0.184 nan 8.290 nan 0.000 0.457 27 D N 3.414 123.876 120.400 0.103 0.000 2.502 27 D HA 0.289 4.919 4.640 -0.017 0.000 0.249 27 D C 0.633 177.029 176.300 0.161 0.000 1.092 27 D CA -0.566 53.505 54.000 0.118 0.000 0.839 27 D CB 1.140 42.002 40.800 0.104 0.000 1.264 27 D HN 0.676 nan 8.370 nan 0.000 0.511 28 L N 3.423 124.758 121.223 0.187 0.000 2.046 28 L HA -0.108 4.222 4.340 -0.017 0.000 0.208 28 L C 2.400 179.594 176.870 0.541 0.000 1.077 28 L CA 1.018 56.044 54.840 0.310 0.000 0.747 28 L CB -0.298 41.840 42.059 0.133 0.000 0.896 28 L HN 0.554 nan 8.230 nan 0.000 0.432 29 K N 0.367 121.048 120.400 0.469 0.000 2.063 29 K HA -0.224 4.085 4.320 -0.017 0.000 0.208 29 K C 2.106 178.845 176.600 0.232 0.000 1.048 29 K CA 1.522 58.034 56.287 0.376 0.000 0.928 29 K CB -0.105 32.538 32.500 0.237 0.000 0.713 29 K HN 0.281 nan 8.250 nan 0.000 0.442 30 A N 1.246 124.175 122.820 0.182 0.000 1.898 30 A HA -0.090 4.220 4.320 -0.017 0.000 0.216 30 A C 2.128 179.779 177.584 0.111 0.000 1.181 30 A CA 1.186 53.293 52.037 0.117 0.000 0.620 30 A CB -0.560 18.492 19.000 0.086 0.000 0.819 30 A HN 0.322 nan 8.150 nan 0.000 0.442 31 L N -2.074 119.227 121.223 0.130 0.000 2.042 31 L HA -0.190 4.140 4.340 -0.017 0.000 0.210 31 L C 2.485 179.331 176.870 -0.040 0.000 1.076 31 L CA 1.463 56.313 54.840 0.018 0.000 0.749 31 L CB -0.560 41.473 42.059 -0.043 0.000 0.893 31 L HN 0.400 nan 8.230 nan 0.000 0.432 32 F N -0.372 119.621 119.950 0.072 0.000 2.206 32 F HA -0.114 4.403 4.527 -0.016 0.000 0.298 32 F C 2.583 178.379 175.800 -0.006 0.000 1.090 32 F CA 1.006 59.033 58.000 0.045 0.000 1.323 32 F CB -0.532 38.506 39.000 0.064 0.000 1.028 32 F HN -0.015 nan 8.300 nan 0.000 0.492 33 A N -0.432 122.474 122.820 0.144 0.000 1.933 33 A HA -0.224 4.085 4.320 -0.017 0.000 0.218 33 A C 1.987 179.594 177.584 0.038 0.000 1.175 33 A CA 1.595 53.667 52.037 0.059 0.000 0.628 33 A CB -0.657 18.365 19.000 0.037 0.000 0.814 33 A HN 0.471 nan 8.150 nan 0.000 0.444 34 Q N -1.442 118.377 119.800 0.032 0.000 2.425 34 Q HA 0.044 4.374 4.340 -0.017 0.000 0.204 34 Q C -0.629 175.373 176.000 0.003 0.000 0.933 34 Q CA 0.503 56.315 55.803 0.014 0.000 0.939 34 Q CB 0.379 29.125 28.738 0.013 0.000 1.044 34 Q HN 0.547 nan 8.270 nan 0.000 0.513 35 D N -0.792 119.604 120.400 -0.005 0.000 2.375 35 D HA 0.045 4.675 4.640 -0.017 0.000 0.241 35 D C 0.400 176.703 176.300 0.005 0.000 1.361 35 D CA -0.194 53.800 54.000 -0.010 0.000 0.995 35 D CB 0.993 41.773 40.800 -0.033 0.000 1.312 35 D HN -0.025 nan 8.370 nan 0.000 0.576 36 S N 2.491 118.208 115.700 0.028 0.000 2.469 36 S HA -0.104 4.356 4.470 -0.017 0.000 0.238 36 S C 0.960 175.603 174.600 0.072 0.000 0.998 36 S CA 0.602 58.833 58.200 0.052 0.000 0.957 36 S CB 0.066 63.289 63.200 0.038 0.000 0.764 36 S HN 0.415 nan 8.310 nan 0.000 0.514 37 E N 0.874 121.106 120.200 0.053 0.000 2.419 37 E HA 0.197 4.537 4.350 -0.017 0.000 0.190 37 E C 1.557 178.200 176.600 0.071 0.000 1.040 37 E CA -0.189 56.251 56.400 0.067 0.000 0.900 37 E CB -0.008 29.714 29.700 0.037 0.000 1.054 37 E HN 0.628 nan 8.360 nan 0.000 0.462 38 R N 0.106 120.627 120.500 0.034 0.000 2.083 38 R HA -0.164 4.165 4.340 -0.017 0.000 0.237 38 R C 2.079 178.429 176.300 0.084 0.000 1.137 38 R CA 1.299 57.377 56.100 -0.038 0.000 0.951 38 R CB -0.287 29.723 30.300 -0.484 0.000 0.851 38 R HN 0.162 nan 8.270 nan 0.000 0.434 39 F N 1.037 121.016 119.950 0.047 0.000 2.095 39 F HA -0.158 4.359 4.527 -0.017 0.000 0.298 39 F C 2.058 177.883 175.800 0.042 0.000 1.104 39 F CA 1.653 59.711 58.000 0.096 0.000 1.232 39 F CB -0.589 38.500 39.000 0.148 0.000 0.987 39 F HN 0.113 nan 8.300 nan 0.000 0.475 40 A N 0.278 123.066 122.820 -0.054 0.000 1.933 40 A HA -0.205 4.105 4.320 -0.017 0.000 0.218 40 A C 2.219 179.666 177.584 -0.228 0.000 1.175 40 A CA 1.931 53.853 52.037 -0.191 0.000 0.628 40 A CB -0.670 18.335 19.000 0.008 0.000 0.814 40 A HN 0.526 nan 8.150 nan 0.000 0.444 41 K N -2.138 118.178 120.400 -0.139 0.000 2.228 41 K HA 0.001 4.310 4.320 -0.017 0.000 0.202 41 K C -0.174 176.167 176.600 -0.432 0.000 1.051 41 K CA 0.787 56.944 56.287 -0.217 0.000 0.960 41 K CB 0.014 32.423 32.500 -0.151 0.000 0.743 41 K HN 0.597 nan 8.250 nan 0.000 0.458 42 Y N 0.773 120.818 120.300 -0.425 0.000 2.722 42 Y HA 0.172 4.713 4.550 -0.015 0.000 0.314 42 Y C -0.225 174.863 175.900 -1.354 0.000 1.008 42 Y CA -0.745 56.844 58.100 -0.852 0.000 1.294 42 Y CB 0.547 38.673 38.460 -0.557 0.000 1.231 42 Y HN -0.102 nan 8.280 nan 0.000 0.558 43 S N -0.213 115.024 115.700 -0.771 0.000 2.579 43 S HA 0.956 5.416 4.470 -0.017 0.000 0.272 43 S C -0.936 173.600 174.600 -0.107 0.000 1.141 43 S CA -0.772 57.135 58.200 -0.489 0.000 0.843 43 S CB 2.174 64.937 63.200 -0.728 0.000 1.122 43 S HN 0.257 nan 8.310 nan 0.000 0.468 44 A N 1.640 124.518 122.820 0.097 0.000 2.515 44 A HA 0.886 5.196 4.320 -0.017 0.000 0.298 44 A C -0.989 176.673 177.584 0.131 0.000 1.059 44 A CA -0.974 51.153 52.037 0.150 0.000 0.698 44 A CB 1.392 20.551 19.000 0.265 0.000 1.289 44 A HN 0.682 nan 8.150 nan 0.000 0.404 45 R N 0.643 121.211 120.500 0.113 0.000 2.460 45 R HA 0.502 4.832 4.340 -0.017 0.000 0.303 45 R C -1.788 174.593 176.300 0.135 0.000 0.968 45 R CA -0.345 55.824 56.100 0.115 0.000 0.889 45 R CB 1.401 31.743 30.300 0.069 0.000 1.123 45 R HN 0.659 nan 8.270 nan 0.000 0.455 46 F N 1.695 121.637 119.950 -0.015 0.000 2.427 46 F HA 0.436 4.953 4.527 -0.017 0.000 0.348 46 F C 0.804 176.588 175.800 -0.027 0.000 1.125 46 F CA 0.432 58.388 58.000 -0.074 0.000 0.989 46 F CB 1.113 40.021 39.000 -0.153 0.000 1.165 46 F HN 0.868 nan 8.300 nan 0.000 0.442 47 G N 5.315 113.704 108.800 -0.686 0.000 2.578 47 G HA2 -0.333 3.617 3.960 -0.017 0.000 0.275 47 G HA3 -0.333 3.617 3.960 -0.017 0.000 0.275 47 G C 0.417 175.228 174.900 -0.148 0.000 1.271 47 G CA 0.553 45.386 45.100 -0.444 0.000 0.941 47 G HN 0.724 nan 8.290 nan 0.000 0.564 48 Q N -0.309 119.445 119.800 -0.078 0.000 2.408 48 Q HA 0.138 4.468 4.340 -0.017 0.000 0.205 48 Q C 0.852 176.871 176.000 0.032 0.000 0.919 48 Q CA 0.946 56.741 55.803 -0.014 0.000 0.932 48 Q CB 0.420 29.153 28.738 -0.009 0.000 1.058 48 Q HN 0.530 nan 8.270 nan 0.000 0.517 49 D N -0.356 120.079 120.400 0.058 0.000 2.469 49 D HA 0.245 4.875 4.640 -0.017 0.000 0.213 49 D C -0.183 176.192 176.300 0.126 0.000 1.135 49 D CA 0.253 54.306 54.000 0.089 0.000 0.834 49 D CB 1.251 42.103 40.800 0.087 0.000 1.009 49 D HN 0.107 nan 8.370 nan 0.000 0.507 50 I N 1.206 121.873 120.570 0.162 0.000 2.533 50 I HA 0.290 4.450 4.170 -0.017 0.000 0.290 50 I C -1.295 174.930 176.117 0.180 0.000 1.056 50 I CA -1.154 60.255 61.300 0.182 0.000 1.057 50 I CB 2.812 40.947 38.000 0.226 0.000 1.240 50 I HN -0.265 nan 8.210 nan 0.000 0.423 51 L N 7.815 129.146 121.223 0.180 0.000 2.333 51 L HA 0.622 4.952 4.340 -0.017 0.000 0.280 51 L C -1.156 175.841 176.870 0.211 0.000 1.004 51 L CA -0.402 54.556 54.840 0.197 0.000 0.820 51 L CB 1.783 43.984 42.059 0.236 0.000 1.247 51 L HN 0.323 nan 8.230 nan 0.000 0.416 52 V N 4.496 124.532 119.914 0.203 0.000 2.313 52 V HA 0.372 4.481 4.120 -0.017 0.000 0.278 52 V C -0.744 175.510 176.094 0.267 0.000 1.017 52 V CA -0.535 61.904 62.300 0.232 0.000 0.823 52 V CB 1.181 33.127 31.823 0.205 0.000 1.010 52 V HN 0.752 nan 8.190 nan 0.000 0.443 53 D N 4.304 124.869 120.400 0.275 0.000 2.373 53 D HA 0.254 4.884 4.640 -0.017 0.000 0.227 53 D C 0.051 176.509 176.300 0.263 0.000 1.091 53 D CA -0.470 53.666 54.000 0.226 0.000 0.840 53 D CB 1.072 42.093 40.800 0.369 0.000 1.060 53 D HN 0.628 nan 8.370 nan 0.000 0.502 54 Y N 1.470 121.884 120.300 0.191 0.000 2.681 54 Y HA 0.241 4.780 4.550 -0.018 0.000 0.267 54 Y C 1.496 177.525 175.900 0.215 0.000 1.166 54 Y CA -0.273 57.945 58.100 0.197 0.000 1.209 54 Y CB -0.298 38.271 38.460 0.182 0.000 1.161 54 Y HN 0.217 nan 8.280 nan 0.000 0.534 55 S N 0.296 116.047 115.700 0.084 0.000 2.461 55 S HA -0.027 4.433 4.470 -0.017 0.000 0.228 55 S C 1.019 175.740 174.600 0.201 0.000 1.005 55 S CA 0.219 58.458 58.200 0.064 0.000 0.942 55 S CB -0.284 63.031 63.200 0.192 0.000 0.776 55 S HN 0.495 nan 8.310 nan 0.000 0.514 56 K N 2.039 122.590 120.400 0.252 0.000 2.911 56 K HA 0.278 4.588 4.320 -0.017 0.000 0.239 56 K C -0.479 176.197 176.600 0.127 0.000 1.090 56 K CA -0.170 56.222 56.287 0.176 0.000 1.225 56 K CB -0.154 32.328 32.500 -0.029 0.000 1.087 56 K HN 0.355 nan 8.250 nan 0.000 0.464 57 N N 0.895 119.699 118.700 0.173 0.000 2.384 57 N HA 0.252 4.982 4.740 -0.017 0.000 0.301 57 N C -0.087 175.555 175.510 0.221 0.000 1.133 57 N CA -0.541 52.665 53.050 0.260 0.000 0.853 57 N CB 1.525 40.212 38.487 0.334 0.000 1.241 57 N HN 0.049 nan 8.380 nan 0.000 0.502 58 L N 1.810 123.248 121.223 0.359 0.000 2.533 58 L HA 0.181 4.511 4.340 -0.017 0.000 0.239 58 L C -0.033 177.058 176.870 0.369 0.000 1.376 58 L CA -0.402 54.647 54.840 0.350 0.000 1.240 58 L CB -0.787 41.524 42.059 0.419 0.000 1.487 58 L HN 0.184 nan 8.230 nan 0.000 0.419 59 V N -1.813 118.180 119.914 0.132 0.000 2.925 59 V HA 0.730 4.839 4.120 -0.017 0.000 0.311 59 V C -0.695 175.371 176.094 -0.047 0.000 1.104 59 V CA -0.776 61.518 62.300 -0.010 0.000 0.954 59 V CB 2.104 33.887 31.823 -0.066 0.000 1.022 59 V HN 0.464 nan 8.190 nan 0.000 0.427 60 N N 2.805 121.502 118.700 -0.004 0.000 3.091 60 N HA 0.740 5.470 4.740 -0.017 0.000 0.329 60 N C 0.847 176.398 175.510 0.068 0.000 1.430 60 N CA -0.273 52.795 53.050 0.029 0.000 0.755 60 N CB 1.233 39.740 38.487 0.033 0.000 1.626 60 N HN 0.896 nan 8.380 nan 0.000 0.614 61 A N -0.452 122.413 122.820 0.075 0.000 1.940 61 A HA -0.207 4.102 4.320 -0.017 0.000 0.219 61 A C 1.882 179.370 177.584 -0.161 0.000 1.176 61 A CA 1.979 54.020 52.037 0.005 0.000 0.631 61 A CB -1.109 17.887 19.000 -0.007 0.000 0.814 61 A HN 0.872 nan 8.150 nan 0.000 0.446 62 E N -0.493 119.556 120.200 -0.253 0.000 2.051 62 E HA -0.164 4.176 4.350 -0.017 0.000 0.192 62 E C 1.954 178.091 176.600 -0.772 0.000 0.991 62 E CA 1.752 57.819 56.400 -0.553 0.000 0.799 62 E CB -0.238 29.119 29.700 -0.572 0.000 0.748 62 E HN 0.574 nan 8.360 nan 0.000 0.449 63 T N 1.328 115.525 114.554 -0.594 0.000 2.684 63 T HA -0.191 4.148 4.350 -0.017 0.000 0.267 63 T C 1.831 176.215 174.700 -0.528 0.000 1.036 63 T CA 1.650 63.389 62.100 -0.602 0.000 1.148 63 T CB -0.125 68.406 68.868 -0.561 0.000 0.863 63 T HN 0.177 nan 8.240 nan 0.000 0.436 64 M N 1.245 120.625 119.600 -0.367 0.000 2.132 64 M HA -0.054 4.416 4.480 -0.017 0.000 0.263 64 M C 2.433 178.558 176.300 -0.292 0.000 1.065 64 M CA 1.296 56.374 55.300 -0.370 0.000 1.122 64 M CB -1.353 31.182 32.600 -0.108 0.000 1.365 64 M HN 0.371 nan 8.290 nan 0.000 0.411 65 Q N -0.263 119.406 119.800 -0.218 0.000 2.061 65 Q HA -0.221 4.109 4.340 -0.017 0.000 0.204 65 Q C 2.011 177.929 176.000 -0.137 0.000 0.984 65 Q CA 1.642 57.359 55.803 -0.143 0.000 0.846 65 Q CB -0.061 28.501 28.738 -0.292 0.000 0.902 65 Q HN 0.522 nan 8.270 nan 0.000 0.421 66 H N 0.117 119.062 119.070 -0.210 0.000 2.389 66 H HA -0.067 4.480 4.556 -0.016 0.000 0.299 66 H C 2.195 177.407 175.328 -0.194 0.000 1.081 66 H CA 1.226 57.157 56.048 -0.196 0.000 1.345 66 H CB -0.198 29.398 29.762 -0.278 0.000 1.393 66 H HN 0.298 nan 8.280 nan 0.000 0.520 67 L N -0.393 120.703 121.223 -0.211 0.000 2.017 67 L HA -0.162 4.168 4.340 -0.017 0.000 0.208 67 L C 2.320 179.068 176.870 -0.204 0.000 1.073 67 L CA 1.013 55.679 54.840 -0.291 0.000 0.745 67 L CB -0.469 41.284 42.059 -0.509 0.000 0.894 67 L HN 0.087 nan 8.230 nan 0.000 0.432 68 F N 0.040 119.972 119.950 -0.030 0.000 2.171 68 F HA -0.160 4.358 4.527 -0.015 0.000 0.300 68 F C 2.592 178.437 175.800 0.076 0.000 1.090 68 F CA 0.947 58.969 58.000 0.036 0.000 1.293 68 F CB -1.115 37.910 39.000 0.042 0.000 1.013 68 F HN 0.008 nan 8.300 nan 0.000 0.486 69 A N -0.072 122.871 122.820 0.206 0.000 1.933 69 A HA -0.159 4.150 4.320 -0.017 0.000 0.218 69 A C 2.157 179.824 177.584 0.138 0.000 1.175 69 A CA 1.488 53.618 52.037 0.156 0.000 0.628 69 A CB -1.053 18.026 19.000 0.130 0.000 0.814 69 A HN 0.344 nan 8.150 nan 0.000 0.444 70 L N -0.227 121.064 121.223 0.114 0.000 2.046 70 L HA -0.057 4.273 4.340 -0.017 0.000 0.208 70 L C 2.656 179.587 176.870 0.103 0.000 1.077 70 L CA 2.176 57.087 54.840 0.118 0.000 0.747 70 L CB -0.820 41.311 42.059 0.120 0.000 0.896 70 L HN 0.335 nan 8.230 nan 0.000 0.432 71 A N -0.556 122.320 122.820 0.093 0.000 1.902 71 A HA -0.245 4.065 4.320 -0.017 0.000 0.217 71 A C 2.325 180.030 177.584 0.201 0.000 1.181 71 A CA 2.099 54.172 52.037 0.059 0.000 0.623 71 A CB -0.501 18.457 19.000 -0.070 0.000 0.818 71 A HN 0.534 nan 8.150 nan 0.000 0.443 72 K N -0.765 119.798 120.400 0.271 0.000 2.103 72 K HA -0.090 4.219 4.320 -0.017 0.000 0.204 72 K C 2.011 178.689 176.600 0.130 0.000 1.052 72 K CA 1.292 57.715 56.287 0.227 0.000 0.945 72 K CB -0.074 32.526 32.500 0.168 0.000 0.722 72 K HN 0.639 nan 8.250 nan 0.000 0.443 73 E N 0.572 120.838 120.200 0.110 0.000 2.274 73 E HA -0.110 4.230 4.350 -0.017 0.000 0.194 73 E C 1.058 177.695 176.600 0.061 0.000 0.996 73 E CA 1.294 57.740 56.400 0.078 0.000 0.840 73 E CB 0.245 29.993 29.700 0.080 0.000 0.772 73 E HN 0.344 nan 8.360 nan 0.000 0.491 74 T N -2.128 112.464 114.554 0.063 0.000 3.122 74 T HA 0.026 4.366 4.350 -0.017 0.000 0.250 74 T C 0.390 175.115 174.700 0.043 0.000 1.067 74 T CA 0.278 62.398 62.100 0.034 0.000 0.966 74 T CB 0.203 69.076 68.868 0.009 0.000 1.002 74 T HN 0.034 nan 8.240 nan 0.000 0.542 75 D N 0.175 120.619 120.400 0.073 0.000 2.699 75 D HA -0.139 4.491 4.640 -0.017 0.000 0.239 75 D C 0.642 177.004 176.300 0.104 0.000 1.136 75 D CA 0.361 54.412 54.000 0.084 0.000 0.668 75 D CB -1.562 39.272 40.800 0.057 0.000 1.060 75 D HN 0.435 nan 8.370 nan 0.000 0.429 76 L N 0.932 122.237 121.223 0.136 0.000 2.042 76 L HA -0.158 4.172 4.340 -0.017 0.000 0.210 76 L C 2.315 179.317 176.870 0.220 0.000 1.076 76 L CA 2.554 57.469 54.840 0.125 0.000 0.749 76 L CB -0.511 41.547 42.059 -0.000 0.000 0.893 76 L HN 0.271 nan 8.230 nan 0.000 0.432 77 Q N -0.623 119.362 119.800 0.310 0.000 2.135 77 Q HA -0.166 4.164 4.340 -0.017 0.000 0.204 77 Q C 2.259 178.315 176.000 0.094 0.000 0.981 77 Q CA 2.196 58.110 55.803 0.186 0.000 0.856 77 Q CB -0.391 28.373 28.738 0.044 0.000 0.902 77 Q HN 0.597 nan 8.270 nan 0.000 0.425 78 S N -0.128 115.626 115.700 0.090 0.000 2.382 78 S HA -0.105 4.355 4.470 -0.017 0.000 0.228 78 S C 1.859 176.534 174.600 0.125 0.000 1.027 78 S CA 0.898 59.143 58.200 0.076 0.000 0.991 78 S CB -0.490 62.747 63.200 0.063 0.000 0.823 78 S HN 0.597 nan 8.310 nan 0.000 0.469 79 A N 1.472 124.396 122.820 0.174 0.000 1.898 79 A HA -0.011 4.298 4.320 -0.017 0.000 0.216 79 A C 2.039 179.892 177.584 0.448 0.000 1.181 79 A CA 1.044 53.252 52.037 0.286 0.000 0.620 79 A CB -0.662 18.471 19.000 0.221 0.000 0.819 79 A HN 0.475 nan 8.150 nan 0.000 0.442 80 I N -0.362 120.439 120.570 0.385 0.000 2.163 80 I HA -0.254 3.905 4.170 -0.017 0.000 0.243 80 I C 2.615 178.839 176.117 0.178 0.000 1.085 80 I CA 1.859 63.325 61.300 0.276 0.000 1.347 80 I CB -0.779 37.190 38.000 -0.051 0.000 1.044 80 I HN 0.258 nan 8.210 nan 0.000 0.408 81 T N 0.848 115.451 114.554 0.081 0.000 2.720 81 T HA -0.203 4.136 4.350 -0.017 0.000 0.268 81 T C 2.053 176.805 174.700 0.087 0.000 1.037 81 T CA 1.533 63.658 62.100 0.043 0.000 1.144 81 T CB -0.394 68.473 68.868 -0.001 0.000 0.864 81 T HN 0.500 nan 8.240 nan 0.000 0.444 82 A N 1.431 124.317 122.820 0.111 0.000 1.908 82 A HA -0.103 4.207 4.320 -0.017 0.000 0.218 82 A C 2.326 179.942 177.584 0.055 0.000 1.181 82 A CA 2.006 54.099 52.037 0.093 0.000 0.627 82 A CB -0.765 18.317 19.000 0.136 0.000 0.818 82 A HN 0.546 nan 8.150 nan 0.000 0.445 83 M N -1.743 117.894 119.600 0.062 0.000 2.067 83 M HA -0.131 4.339 4.480 -0.017 0.000 0.260 83 M C 1.873 178.030 176.300 -0.239 0.000 1.069 83 M CA 2.088 57.297 55.300 -0.152 0.000 1.117 83 M CB -0.275 32.079 32.600 -0.410 0.000 1.334 83 M HN 0.332 nan 8.290 nan 0.000 0.407 84 F N 1.040 120.865 119.950 -0.209 0.000 2.216 84 F HA -0.169 4.349 4.527 -0.016 0.000 0.300 84 F C 2.323 178.013 175.800 -0.183 0.000 1.085 84 F CA 1.803 59.680 58.000 -0.205 0.000 1.326 84 F CB -0.429 38.468 39.000 -0.173 0.000 1.027 84 F HN 0.301 nan 8.300 nan 0.000 0.497 85 K N -0.040 120.371 120.400 0.019 0.000 2.487 85 K HA 0.292 4.602 4.320 -0.017 0.000 0.192 85 K C 1.281 177.817 176.600 -0.107 0.000 1.027 85 K CA 0.899 57.162 56.287 -0.040 0.000 1.054 85 K CB -0.002 32.486 32.500 -0.020 0.000 0.824 85 K HN 0.228 nan 8.250 nan 0.000 0.510 86 G N 1.714 110.420 108.800 -0.156 0.000 2.141 86 G HA2 -0.317 3.633 3.960 -0.017 0.000 0.231 86 G HA3 -0.317 3.633 3.960 -0.017 0.000 0.231 86 G C -0.307 174.522 174.900 -0.120 0.000 0.984 86 G CA 0.217 45.194 45.100 -0.204 0.000 0.660 86 G HN 0.595 nan 8.290 nan 0.000 0.525 87 E N 0.502 120.665 120.200 -0.062 0.000 2.415 87 E HA 0.483 4.823 4.350 -0.017 0.000 0.262 87 E C 1.096 177.698 176.600 0.004 0.000 1.038 87 E CA 0.118 56.512 56.400 -0.009 0.000 0.921 87 E CB 0.505 30.222 29.700 0.029 0.000 0.950 87 E HN 0.824 nan 8.360 nan 0.000 0.438 88 A N 6.024 128.864 122.820 0.033 0.000 3.048 88 A HA 0.104 4.414 4.320 -0.017 0.000 0.264 88 A C 1.170 178.812 177.584 0.097 0.000 1.796 88 A CA -0.182 51.889 52.037 0.056 0.000 1.445 88 A CB -1.175 17.861 19.000 0.060 0.000 1.074 88 A HN 0.712 nan 8.150 nan 0.000 0.621 89 I N -1.703 118.939 120.570 0.119 0.000 2.830 89 I HA -0.038 4.121 4.170 -0.017 0.000 0.263 89 I C 0.902 177.194 176.117 0.292 0.000 1.230 89 I CA 0.553 61.990 61.300 0.229 0.000 1.480 89 I CB -0.174 37.992 38.000 0.277 0.000 1.095 89 I HN 0.400 nan 8.210 nan 0.000 0.455 90 N N 2.431 121.244 118.700 0.190 0.000 2.807 90 N HA 0.061 4.791 4.740 -0.017 0.000 0.259 90 N C 0.735 176.234 175.510 -0.019 0.000 1.149 90 N CA 0.184 53.322 53.050 0.146 0.000 1.042 90 N CB 0.376 38.971 38.487 0.180 0.000 1.367 90 N HN 0.469 nan 8.380 nan 0.000 0.516 91 Q N -0.060 119.615 119.800 -0.208 0.000 2.172 91 Q HA -0.096 4.233 4.340 -0.017 0.000 0.200 91 Q C 1.557 177.434 176.000 -0.205 0.000 0.964 91 Q CA 1.700 57.391 55.803 -0.185 0.000 0.855 91 Q CB 0.094 28.773 28.738 -0.098 0.000 0.918 91 Q HN 0.720 nan 8.270 nan 0.000 0.444 92 T N -1.644 112.701 114.554 -0.349 0.000 2.951 92 T HA -0.086 4.254 4.350 -0.017 0.000 0.268 92 T C 1.346 176.159 174.700 0.189 0.000 1.073 92 T CA 1.040 63.117 62.100 -0.039 0.000 1.134 92 T CB 0.033 68.994 68.868 0.155 0.000 0.884 92 T HN 0.254 nan 8.240 nan 0.000 0.479 93 E N 0.566 120.852 120.200 0.143 0.000 2.498 93 E HA 0.128 4.467 4.350 -0.017 0.000 0.203 93 E C -0.167 176.494 176.600 0.102 0.000 1.013 93 E CA -0.015 56.482 56.400 0.161 0.000 0.927 93 E CB 0.214 29.969 29.700 0.091 0.000 1.012 93 E HN 0.400 nan 8.360 nan 0.000 0.482 94 D N 1.687 122.128 120.400 0.069 0.000 2.812 94 D HA -0.191 4.439 4.640 -0.017 0.000 0.237 94 D C -0.955 175.396 176.300 0.085 0.000 1.162 94 D CA 0.864 54.903 54.000 0.066 0.000 0.740 94 D CB -0.700 40.138 40.800 0.065 0.000 1.000 94 D HN 0.141 nan 8.370 nan 0.000 0.416 95 R N -0.182 120.374 120.500 0.094 0.000 2.771 95 R HA 0.836 5.166 4.340 -0.017 0.000 0.274 95 R C 0.002 176.370 176.300 0.114 0.000 0.987 95 R CA -0.490 55.686 56.100 0.128 0.000 0.908 95 R CB 1.579 31.968 30.300 0.148 0.000 1.213 95 R HN 0.149 nan 8.270 nan 0.000 0.468 96 A N 1.155 124.052 122.820 0.127 0.000 2.327 96 A HA 0.476 4.786 4.320 -0.017 0.000 0.255 96 A C -0.377 177.239 177.584 0.053 0.000 1.099 96 A CA -0.282 51.776 52.037 0.035 0.000 0.801 96 A CB 0.644 19.596 19.000 -0.080 0.000 1.062 96 A HN 0.357 nan 8.150 nan 0.000 0.496 97 V N 1.214 121.051 119.914 -0.129 0.000 2.380 97 V HA 0.286 4.396 4.120 -0.017 0.000 0.272 97 V C -0.317 175.546 176.094 -0.385 0.000 1.011 97 V CA 0.142 62.279 62.300 -0.271 0.000 0.826 97 V CB 0.530 31.931 31.823 -0.703 0.000 1.040 97 V HN 0.706 nan 8.190 nan 0.000 0.441 98 L N 4.500 125.639 121.223 -0.141 0.000 3.255 98 L HA 0.284 4.614 4.340 -0.017 0.000 0.293 98 L C 1.938 178.784 176.870 -0.041 0.000 1.302 98 L CA -0.254 54.403 54.840 -0.305 0.000 0.977 98 L CB 0.083 41.737 42.059 -0.675 0.000 1.390 98 L HN 0.798 nan 8.230 nan 0.000 0.588 99 H N -1.555 117.547 119.070 0.053 0.000 2.457 99 H HA -0.151 4.394 4.556 -0.017 0.000 0.297 99 H C 1.814 177.103 175.328 -0.066 0.000 1.092 99 H CA 1.730 57.855 56.048 0.130 0.000 1.309 99 H CB -0.847 29.028 29.762 0.188 0.000 1.382 99 H HN 0.447 nan 8.280 nan 0.000 0.535 100 T N -0.965 113.287 114.554 -0.503 0.000 2.833 100 T HA 0.050 4.390 4.350 -0.017 0.000 0.269 100 T C 2.341 176.937 174.700 -0.172 0.000 1.054 100 T CA 1.143 63.018 62.100 -0.376 0.000 1.135 100 T CB -0.547 67.910 68.868 -0.686 0.000 0.869 100 T HN 0.495 nan 8.240 nan 0.000 0.466 101 A N 1.559 124.270 122.820 -0.182 0.000 1.969 101 A HA 0.240 4.550 4.320 -0.017 0.000 0.218 101 A C 2.382 179.988 177.584 0.037 0.000 1.169 101 A CA 0.920 52.886 52.037 -0.118 0.000 0.635 101 A CB -0.834 17.983 19.000 -0.305 0.000 0.810 101 A HN 0.552 nan 8.150 nan 0.000 0.445 102 L N -0.298 121.026 121.223 0.169 0.000 2.127 102 L HA -0.157 4.173 4.340 -0.017 0.000 0.211 102 L C 2.352 179.330 176.870 0.180 0.000 1.089 102 L CA 1.557 56.573 54.840 0.293 0.000 0.757 102 L CB -0.331 41.992 42.059 0.440 0.000 0.899 102 L HN 0.559 nan 8.230 nan 0.000 0.434 103 R N -0.739 119.787 120.500 0.043 0.000 2.586 103 R HA 0.090 4.420 4.340 -0.017 0.000 0.336 103 R C 0.198 176.424 176.300 -0.124 0.000 1.060 103 R CA -0.209 55.871 56.100 -0.033 0.000 1.079 103 R CB -0.661 29.553 30.300 -0.143 0.000 1.317 103 R HN 0.031 nan 8.270 nan 0.000 0.568 104 N N 2.318 120.949 118.700 -0.115 0.000 2.819 104 N HA 0.007 4.737 4.740 -0.017 0.000 0.284 104 N C 0.540 175.811 175.510 -0.398 0.000 1.196 104 N CA -0.174 52.728 53.050 -0.246 0.000 1.114 104 N CB 0.487 38.936 38.487 -0.063 0.000 1.437 104 N HN 0.071 nan 8.380 nan 0.000 0.518 105 R N 0.730 120.776 120.500 -0.758 0.000 2.152 105 R HA -0.006 4.324 4.340 -0.017 0.000 0.232 105 R C 1.227 177.383 176.300 -0.240 0.000 1.117 105 R CA 0.599 56.461 56.100 -0.396 0.000 0.981 105 R CB -0.712 29.406 30.300 -0.303 0.000 0.870 105 R HN 0.389 nan 8.270 nan 0.000 0.451 106 S N 0.787 116.332 115.700 -0.259 0.000 2.481 106 S HA -0.050 4.409 4.470 -0.017 0.000 0.231 106 S C 0.457 175.049 174.600 -0.012 0.000 0.996 106 S CA 0.554 58.752 58.200 -0.003 0.000 0.942 106 S CB -0.251 63.045 63.200 0.160 0.000 0.768 106 S HN 0.477 nan 8.310 nan 0.000 0.520 107 N N 0.818 119.491 118.700 -0.046 0.000 2.753 107 N HA -0.157 4.573 4.740 -0.017 0.000 0.251 107 N C -0.338 175.166 175.510 -0.011 0.000 1.097 107 N CA 0.316 53.352 53.050 -0.023 0.000 0.786 107 N CB -1.316 37.167 38.487 -0.007 0.000 1.137 107 N HN 0.523 nan 8.380 nan 0.000 0.566 108 S N 0.088 115.788 115.700 -0.000 0.000 2.560 108 S HA 0.319 4.779 4.470 -0.017 0.000 0.284 108 S C -2.225 172.362 174.600 -0.022 0.000 1.327 108 S CA -1.058 57.141 58.200 -0.002 0.000 1.055 108 S CB 1.000 64.208 63.200 0.013 0.000 0.868 108 S HN -0.049 nan 8.310 nan 0.000 0.506 109 P HA 0.253 nan 4.420 nan 0.000 0.268 109 P C -1.087 176.170 177.300 -0.072 0.000 1.205 109 P CA -0.356 62.713 63.100 -0.051 0.000 0.771 109 P CB 0.466 32.140 31.700 -0.044 0.000 0.858 110 V N 4.696 124.541 119.914 -0.115 0.000 2.409 110 V HA 0.285 4.395 4.120 -0.017 0.000 0.290 110 V C 0.009 175.984 176.094 -0.197 0.000 1.017 110 V CA -0.477 61.723 62.300 -0.167 0.000 0.841 110 V CB 1.142 32.822 31.823 -0.238 0.000 1.003 110 V HN 0.350 nan 8.190 nan 0.000 0.426 111 L N 5.200 126.326 121.223 -0.162 0.000 2.307 111 L HA 0.701 5.030 4.340 -0.017 0.000 0.282 111 L C -0.568 176.199 176.870 -0.172 0.000 1.051 111 L CA -0.742 54.012 54.840 -0.143 0.000 0.804 111 L CB 1.786 43.791 42.059 -0.089 0.000 1.197 111 L HN 0.327 nan 8.230 nan 0.000 0.431 112 V N 3.114 122.935 119.914 -0.155 0.000 2.443 112 V HA 0.288 4.397 4.120 -0.017 0.000 0.293 112 V C -0.152 175.912 176.094 -0.050 0.000 1.021 112 V CA -0.710 61.514 62.300 -0.128 0.000 0.848 112 V CB 1.380 33.102 31.823 -0.168 0.000 0.998 112 V HN 0.897 nan 8.190 nan 0.000 0.424 113 N N 3.971 122.654 118.700 -0.029 0.000 2.735 113 N HA -0.209 4.520 4.740 -0.017 0.000 0.248 113 N C 1.180 176.683 175.510 -0.012 0.000 1.083 113 N CA 1.483 54.529 53.050 -0.006 0.000 0.703 113 N CB -1.065 37.432 38.487 0.016 0.000 1.005 113 N HN 1.577 nan 8.380 nan 0.000 0.550 114 G N -1.369 107.415 108.800 -0.027 0.000 2.162 114 G HA2 -0.318 3.631 3.960 -0.017 0.000 0.260 114 G HA3 -0.318 3.631 3.960 -0.017 0.000 0.260 114 G C -0.334 174.549 174.900 -0.028 0.000 0.976 114 G CA 0.743 45.828 45.100 -0.025 0.000 0.655 114 G HN 0.466 nan 8.290 nan 0.000 0.533 115 E N 0.559 120.737 120.200 -0.035 0.000 2.210 115 E HA 0.364 4.704 4.350 -0.017 0.000 0.266 115 E C -0.953 175.609 176.600 -0.064 0.000 0.883 115 E CA -0.854 55.525 56.400 -0.035 0.000 0.761 115 E CB 1.687 31.378 29.700 -0.015 0.000 1.156 115 E HN 0.193 nan 8.360 nan 0.000 0.412 116 D N 1.844 122.207 120.400 -0.062 0.000 2.417 116 D HA -0.018 4.612 4.640 -0.017 0.000 0.250 116 D C 1.105 177.344 176.300 -0.102 0.000 1.166 116 D CA -0.048 53.901 54.000 -0.086 0.000 0.881 116 D CB 1.080 41.844 40.800 -0.060 0.000 1.164 116 D HN 0.240 nan 8.370 nan 0.000 0.467 117 V N 2.193 122.006 119.914 -0.167 0.000 3.541 117 V HA -0.047 4.063 4.120 -0.017 0.000 0.267 117 V C 1.900 177.894 176.094 -0.166 0.000 1.213 117 V CA 0.171 62.353 62.300 -0.197 0.000 1.149 117 V CB -0.337 31.287 31.823 -0.333 0.000 0.822 117 V HN 0.430 nan 8.190 nan 0.000 0.462 118 M N 0.920 120.450 119.600 -0.117 0.000 2.159 118 M HA 0.037 4.506 4.480 -0.017 0.000 0.263 118 M C 0.110 176.402 176.300 -0.014 0.000 1.063 118 M CA 1.490 56.754 55.300 -0.060 0.000 1.110 118 M CB -2.527 30.046 32.600 -0.044 0.000 1.374 118 M HN 0.346 nan 8.290 nan 0.000 0.411 119 P HA -0.063 nan 4.420 nan 0.000 0.216 119 P C 1.368 178.703 177.300 0.058 0.000 1.150 119 P CA 1.903 65.019 63.100 0.027 0.000 0.837 119 P CB -0.175 31.537 31.700 0.021 0.000 0.786 120 A N -0.641 122.194 122.820 0.025 0.000 1.898 120 A HA -0.138 4.172 4.320 -0.017 0.000 0.216 120 A C 2.340 180.041 177.584 0.194 0.000 1.181 120 A CA 1.654 53.751 52.037 0.101 0.000 0.620 120 A CB -1.678 17.312 19.000 -0.016 0.000 0.819 120 A HN 0.007 nan 8.150 nan 0.000 0.442 121 V N 0.884 120.812 119.914 0.023 0.000 2.255 121 V HA -0.339 3.770 4.120 -0.017 0.000 0.247 121 V C 2.166 178.437 176.094 0.294 0.000 1.051 121 V CA 2.465 64.900 62.300 0.224 0.000 1.018 121 V CB -1.164 30.743 31.823 0.140 0.000 0.641 121 V HN 0.673 nan 8.190 nan 0.000 0.445 122 N N 0.032 118.845 118.700 0.189 0.000 2.244 122 N HA -0.088 4.642 4.740 -0.017 0.000 0.183 122 N C 1.856 177.477 175.510 0.184 0.000 1.016 122 N CA 1.039 54.198 53.050 0.181 0.000 0.866 122 N CB -0.278 38.282 38.487 0.122 0.000 0.980 122 N HN 0.497 nan 8.380 nan 0.000 0.430 123 A N 0.641 123.572 122.820 0.185 0.000 1.930 123 A HA -0.070 4.239 4.320 -0.017 0.000 0.217 123 A C 2.330 180.032 177.584 0.196 0.000 1.175 123 A CA 1.054 53.191 52.037 0.166 0.000 0.627 123 A CB -0.578 18.515 19.000 0.154 0.000 0.815 123 A HN 0.090 nan 8.150 nan 0.000 0.443 124 V N 0.081 120.163 119.914 0.280 0.000 2.358 124 V HA -0.219 3.890 4.120 -0.017 0.000 0.246 124 V C 2.538 178.784 176.094 0.254 0.000 1.047 124 V CA 1.726 64.198 62.300 0.286 0.000 1.035 124 V CB -0.811 31.219 31.823 0.345 0.000 0.658 124 V HN 0.553 nan 8.190 nan 0.000 0.452 125 L N 0.308 121.696 121.223 0.275 0.000 2.012 125 L HA -0.215 4.114 4.340 -0.017 0.000 0.210 125 L C 2.757 179.664 176.870 0.061 0.000 1.073 125 L CA 1.798 56.799 54.840 0.269 0.000 0.748 125 L CB -0.810 41.486 42.059 0.395 0.000 0.891 125 L HN 0.376 nan 8.230 nan 0.000 0.431 126 A N -0.218 122.644 122.820 0.071 0.000 1.933 126 A HA -0.257 4.053 4.320 -0.017 0.000 0.218 126 A C 2.397 179.976 177.584 -0.008 0.000 1.175 126 A CA 1.966 53.995 52.037 -0.013 0.000 0.628 126 A CB -0.442 18.588 19.000 0.049 0.000 0.814 126 A HN 0.341 nan 8.150 nan 0.000 0.444 127 K N -0.889 119.563 120.400 0.088 0.000 2.057 127 K HA -0.070 4.239 4.320 -0.017 0.000 0.206 127 K C 2.074 178.812 176.600 0.231 0.000 1.050 127 K CA 1.550 57.936 56.287 0.164 0.000 0.935 127 K CB -0.232 32.379 32.500 0.184 0.000 0.715 127 K HN 0.510 nan 8.250 nan 0.000 0.439 128 M N 0.640 120.317 119.600 0.128 0.000 2.132 128 M HA -0.153 4.316 4.480 -0.017 0.000 0.263 128 M C 2.326 178.553 176.300 -0.122 0.000 1.065 128 M CA 1.463 56.728 55.300 -0.059 0.000 1.122 128 M CB -0.245 32.240 32.600 -0.191 0.000 1.365 128 M HN 0.114 nan 8.290 nan 0.000 0.411 129 K N 0.912 121.096 120.400 -0.360 0.000 2.009 129 K HA -0.181 4.128 4.320 -0.017 0.000 0.210 129 K C 1.965 178.469 176.600 -0.159 0.000 1.049 129 K CA 1.761 57.738 56.287 -0.517 0.000 0.929 129 K CB -0.147 31.793 32.500 -0.934 0.000 0.714 129 K HN 0.254 nan 8.250 nan 0.000 0.440 130 A N 0.797 123.582 122.820 -0.059 0.000 1.877 130 A HA -0.173 4.137 4.320 -0.017 0.000 0.216 130 A C 2.044 179.690 177.584 0.104 0.000 1.186 130 A CA 1.510 53.570 52.037 0.039 0.000 0.620 130 A CB -0.889 18.159 19.000 0.079 0.000 0.822 130 A HN 0.555 nan 8.150 nan 0.000 0.443 131 F N 2.017 121.970 119.950 0.006 0.000 2.102 131 F HA -0.210 4.306 4.527 -0.017 0.000 0.298 131 F C 2.790 178.527 175.800 -0.104 0.000 1.105 131 F CA 2.108 60.105 58.000 -0.005 0.000 1.239 131 F CB -0.455 38.577 39.000 0.054 0.000 0.991 131 F HN 0.323 nan 8.300 nan 0.000 0.474 132 S N -0.338 115.294 115.700 -0.114 0.000 2.382 132 S HA -0.241 4.219 4.470 -0.017 0.000 0.228 132 S C 1.823 176.311 174.600 -0.186 0.000 1.027 132 S CA 1.477 59.543 58.200 -0.224 0.000 0.991 132 S CB -0.890 62.248 63.200 -0.104 0.000 0.823 132 S HN 0.657 nan 8.310 nan 0.000 0.469 133 E N 1.221 121.364 120.200 -0.095 0.000 2.077 133 E HA -0.089 4.251 4.350 -0.017 0.000 0.193 133 E C 2.510 179.080 176.600 -0.051 0.000 0.989 133 E CA 1.085 57.458 56.400 -0.043 0.000 0.800 133 E CB -0.143 29.555 29.700 -0.003 0.000 0.746 133 E HN 0.579 nan 8.360 nan 0.000 0.452 134 R N 0.321 120.778 120.500 -0.073 0.000 2.075 134 R HA -0.089 4.241 4.340 -0.017 0.000 0.232 134 R C 2.423 178.690 176.300 -0.055 0.000 1.126 134 R CA 1.046 57.140 56.100 -0.010 0.000 0.963 134 R CB -0.255 30.102 30.300 0.096 0.000 0.858 134 R HN 0.043 nan 8.270 nan 0.000 0.435 135 V N 1.260 120.989 119.914 -0.307 0.000 2.283 135 V HA -0.199 3.910 4.120 -0.017 0.000 0.243 135 V C 2.240 178.252 176.094 -0.136 0.000 1.039 135 V CA 1.673 63.766 62.300 -0.346 0.000 1.016 135 V CB -0.347 31.043 31.823 -0.721 0.000 0.650 135 V HN 0.232 nan 8.190 nan 0.000 0.449 136 I N 1.000 121.495 120.570 -0.124 0.000 2.226 136 I HA -0.147 4.012 4.170 -0.017 0.000 0.245 136 I C 2.450 178.655 176.117 0.146 0.000 1.100 136 I CA 1.759 63.061 61.300 0.004 0.000 1.374 136 I CB -0.787 37.196 38.000 -0.029 0.000 1.057 136 I HN 0.419 nan 8.210 nan 0.000 0.413 137 G N -0.476 108.359 108.800 0.057 0.000 2.650 137 G HA2 0.150 4.099 3.960 -0.017 0.000 0.214 137 G HA3 0.150 4.099 3.960 -0.017 0.000 0.214 137 G C 1.401 176.325 174.900 0.040 0.000 1.136 137 G CA 0.651 45.782 45.100 0.050 0.000 0.789 137 G HN 0.594 nan 8.290 nan 0.000 0.536 138 G N -0.095 108.740 108.800 0.059 0.000 2.175 138 G HA2 -0.259 3.690 3.960 -0.017 0.000 0.244 138 G HA3 -0.259 3.690 3.960 -0.017 0.000 0.244 138 G C 0.917 175.853 174.900 0.061 0.000 0.982 138 G CA 0.757 45.891 45.100 0.056 0.000 0.641 138 G HN 0.452 nan 8.290 nan 0.000 0.527 139 E N -0.841 119.399 120.200 0.067 0.000 2.150 139 E HA 0.015 4.354 4.350 -0.017 0.000 0.193 139 E C 1.261 177.916 176.600 0.092 0.000 0.985 139 E CA 0.756 57.194 56.400 0.064 0.000 0.814 139 E CB 0.039 29.777 29.700 0.063 0.000 0.752 139 E HN 0.594 nan 8.360 nan 0.000 0.466 140 W N 2.644 123.904 121.300 -0.068 0.000 2.419 140 W HA 0.133 4.783 4.660 -0.017 0.000 0.312 140 W C -0.581 175.902 176.519 -0.060 0.000 1.323 140 W CA -0.210 57.091 57.345 -0.074 0.000 1.293 140 W CB 0.320 29.685 29.460 -0.158 0.000 1.324 140 W HN -0.189 nan 8.180 nan 0.000 0.512 141 K N 4.445 124.724 120.400 -0.202 0.000 2.156 141 K HA 0.480 4.790 4.320 -0.017 0.000 0.254 141 K C 0.559 177.078 176.600 -0.136 0.000 0.950 141 K CA -0.581 55.650 56.287 -0.093 0.000 0.849 141 K CB 1.458 33.900 32.500 -0.097 0.000 1.100 141 K HN 0.606 nan 8.250 nan 0.000 0.434 142 G N 0.634 109.446 108.800 0.020 0.000 2.611 142 G HA2 0.145 4.095 3.960 -0.017 0.000 0.273 142 G HA3 0.145 4.095 3.960 -0.017 0.000 0.273 142 G C 0.746 175.775 174.900 0.215 0.000 1.305 142 G CA -0.486 44.688 45.100 0.122 0.000 1.010 142 G HN 0.623 nan 8.290 nan 0.000 0.509 143 F N -1.337 118.885 119.950 0.454 0.000 2.408 143 F HA 0.024 4.541 4.527 -0.017 0.000 0.300 143 F C 2.060 177.822 175.800 -0.064 0.000 1.090 143 F CA 1.261 59.312 58.000 0.086 0.000 1.427 143 F CB -0.377 38.547 39.000 -0.126 0.000 1.070 143 F HN 0.323 nan 8.300 nan 0.000 0.549 144 T N -3.466 110.713 114.554 -0.624 0.000 3.092 144 T HA 0.510 4.850 4.350 -0.017 0.000 0.258 144 T C 1.425 175.992 174.700 -0.221 0.000 1.031 144 T CA 0.181 61.982 62.100 -0.498 0.000 0.925 144 T CB -0.012 68.463 68.868 -0.655 0.000 1.036 144 T HN 0.853 nan 8.240 nan 0.000 0.544 145 G N 1.372 110.093 108.800 -0.132 0.000 2.141 145 G HA2 -0.207 3.743 3.960 -0.017 0.000 0.242 145 G HA3 -0.207 3.743 3.960 -0.017 0.000 0.242 145 G C -0.160 174.709 174.900 -0.052 0.000 0.982 145 G CA -0.097 44.958 45.100 -0.075 0.000 0.662 145 G HN 0.664 nan 8.290 nan 0.000 0.527 146 K N 0.335 120.710 120.400 -0.042 0.000 2.118 146 K HA 0.744 5.053 4.320 -0.017 0.000 0.254 146 K C 0.715 177.339 176.600 0.039 0.000 0.961 146 K CA -0.135 56.148 56.287 -0.007 0.000 0.876 146 K CB 1.691 34.185 32.500 -0.010 0.000 1.077 146 K HN 0.477 nan 8.250 nan 0.000 0.440 147 A N 2.609 125.455 122.820 0.043 0.000 2.425 147 A HA 0.189 4.499 4.320 -0.017 0.000 0.242 147 A C 0.190 177.837 177.584 0.104 0.000 1.077 147 A CA -0.412 51.671 52.037 0.077 0.000 0.781 147 A CB 0.026 19.059 19.000 0.055 0.000 1.020 147 A HN 0.532 nan 8.150 nan 0.000 0.494 148 I N 2.028 122.671 120.570 0.122 0.000 2.588 148 I HA 0.092 4.252 4.170 -0.017 0.000 0.283 148 I C 1.597 177.769 176.117 0.093 0.000 1.119 148 I CA 0.986 62.344 61.300 0.096 0.000 1.419 148 I CB 0.644 38.660 38.000 0.027 0.000 1.394 148 I HN 0.881 nan 8.210 nan 0.000 0.562 149 T N 0.357 114.955 114.554 0.074 0.000 2.955 149 T HA 0.259 4.598 4.350 -0.017 0.000 0.251 149 T C 0.177 174.886 174.700 0.016 0.000 1.002 149 T CA -0.187 61.960 62.100 0.079 0.000 0.970 149 T CB 0.239 69.164 68.868 0.095 0.000 1.091 149 T HN 0.482 nan 8.240 nan 0.000 0.495 150 D N 0.334 120.729 120.400 -0.009 0.000 2.738 150 D HA 0.640 5.270 4.640 -0.017 0.000 0.237 150 D C -1.512 174.708 176.300 -0.133 0.000 1.123 150 D CA -0.500 53.487 54.000 -0.022 0.000 0.856 150 D CB 2.838 43.653 40.800 0.025 0.000 1.552 150 D HN 0.044 nan 8.370 nan 0.000 0.480 151 V N 1.925 121.751 119.914 -0.146 0.000 2.540 151 V HA 0.512 4.621 4.120 -0.017 0.000 0.302 151 V C -0.562 175.360 176.094 -0.287 0.000 1.035 151 V CA -0.755 61.388 62.300 -0.262 0.000 0.873 151 V CB 1.885 33.553 31.823 -0.259 0.000 0.992 151 V HN 0.361 nan 8.190 nan 0.000 0.428 152 V N 4.067 123.716 119.914 -0.441 0.000 2.350 152 V HA 0.380 4.489 4.120 -0.017 0.000 0.285 152 V C -0.079 175.834 176.094 -0.302 0.000 1.014 152 V CA -0.724 61.337 62.300 -0.398 0.000 0.831 152 V CB 1.577 33.103 31.823 -0.495 0.000 1.000 152 V HN 0.919 nan 8.190 nan 0.000 0.433 153 N N 4.464 122.915 118.700 -0.415 0.000 2.472 153 N HA 0.517 5.246 4.740 -0.017 0.000 0.277 153 N C -0.866 174.562 175.510 -0.137 0.000 1.081 153 N CA -0.213 52.665 53.050 -0.286 0.000 0.973 153 N CB 0.779 39.017 38.487 -0.415 0.000 1.105 153 N HN 0.633 nan 8.380 nan 0.000 0.470 154 I N 2.543 123.083 120.570 -0.049 0.000 2.382 154 I HA 0.624 4.783 4.170 -0.017 0.000 0.286 154 I C 0.527 176.629 176.117 -0.026 0.000 1.002 154 I CA -0.594 60.685 61.300 -0.034 0.000 1.135 154 I CB 1.540 39.525 38.000 -0.026 0.000 1.288 154 I HN 0.601 nan 8.210 nan 0.000 0.448 155 G N 6.422 115.217 108.800 -0.008 0.000 2.489 155 G HA2 0.614 4.564 3.960 -0.017 0.000 0.291 155 G HA3 0.614 4.564 3.960 -0.017 0.000 0.291 155 G C -1.506 173.401 174.900 0.011 0.000 1.487 155 G CA -0.675 44.425 45.100 -0.000 0.000 0.795 155 G HN 0.660 nan 8.290 nan 0.000 0.513 156 I N -1.324 119.246 120.570 0.001 0.000 2.846 156 I HA 0.878 5.038 4.170 -0.017 0.000 0.307 156 I C 1.056 177.163 176.117 -0.016 0.000 1.053 156 I CA -0.152 61.146 61.300 -0.002 0.000 1.050 156 I CB 1.932 39.927 38.000 -0.009 0.000 1.239 156 I HN 1.825 nan 8.210 nan 0.000 0.439 157 G N 3.408 112.190 108.800 -0.030 0.000 2.665 157 G HA2 -0.365 3.585 3.960 -0.017 0.000 0.326 157 G HA3 -0.365 3.585 3.960 -0.017 0.000 0.326 157 G C 0.920 175.775 174.900 -0.074 0.000 1.231 157 G CA 0.839 45.903 45.100 -0.061 0.000 0.992 157 G HN 1.483 nan 8.290 nan 0.000 0.549 158 G N -0.629 108.124 108.800 -0.080 0.000 2.470 158 G HA2 0.112 4.061 3.960 -0.017 0.000 0.220 158 G HA3 0.112 4.061 3.960 -0.017 0.000 0.220 158 G C 1.800 176.661 174.900 -0.064 0.000 1.121 158 G CA 1.908 46.955 45.100 -0.089 0.000 0.766 158 G HN 1.157 nan 8.290 nan 0.000 0.553 159 S N -0.582 115.096 115.700 -0.037 0.000 2.593 159 S HA 0.142 4.602 4.470 -0.017 0.000 0.217 159 S C 1.215 175.822 174.600 0.012 0.000 0.966 159 S CA 0.794 58.977 58.200 -0.028 0.000 0.914 159 S CB 0.273 63.471 63.200 -0.004 0.000 0.776 159 S HN 0.634 nan 8.310 nan 0.000 0.523 160 D N 0.470 120.875 120.400 0.008 0.000 2.871 160 D HA 0.191 4.821 4.640 -0.017 0.000 0.291 160 D C 1.592 177.875 176.300 -0.028 0.000 1.150 160 D CA -0.077 53.948 54.000 0.041 0.000 0.999 160 D CB -0.306 40.519 40.800 0.041 0.000 1.452 160 D HN 0.131 nan 8.370 nan 0.000 0.465 161 L N 0.622 121.829 121.223 -0.027 0.000 2.046 161 L HA 0.070 4.399 4.340 -0.017 0.000 0.208 161 L C 2.499 179.373 176.870 0.008 0.000 1.077 161 L CA 1.669 56.509 54.840 -0.001 0.000 0.747 161 L CB -0.687 41.349 42.059 -0.038 0.000 0.896 161 L HN 0.252 nan 8.230 nan 0.000 0.432 162 G N 0.270 109.087 108.800 0.028 0.000 2.434 162 G HA2 -0.160 3.790 3.960 -0.017 0.000 0.214 162 G HA3 -0.160 3.790 3.960 -0.017 0.000 0.214 162 G C -0.752 173.956 174.900 -0.320 0.000 1.202 162 G CA 0.603 45.587 45.100 -0.193 0.000 0.788 162 G HN 0.301 nan 8.290 nan 0.000 0.539 163 P HA -0.138 nan 4.420 nan 0.000 0.216 163 P C 1.399 178.387 177.300 -0.519 0.000 1.150 163 P CA 0.842 63.819 63.100 -0.205 0.000 0.837 163 P CB -0.091 31.651 31.700 0.070 0.000 0.786 164 Y N -0.132 119.564 120.300 -1.007 0.000 2.163 164 Y HA -0.146 4.394 4.550 -0.017 0.000 0.288 164 Y C 2.303 177.849 175.900 -0.590 0.000 1.136 164 Y CA 1.340 58.696 58.100 -1.240 0.000 1.147 164 Y CB -1.053 36.829 38.460 -0.963 0.000 0.987 164 Y HN -0.174 nan 8.280 nan 0.000 0.509 165 M N -0.665 118.621 119.600 -0.522 0.000 2.108 165 M HA -0.167 4.303 4.480 -0.017 0.000 0.261 165 M C 1.850 177.911 176.300 -0.398 0.000 1.066 165 M CA 1.768 56.767 55.300 -0.502 0.000 1.107 165 M CB -0.834 31.524 32.600 -0.403 0.000 1.356 165 M HN 0.202 nan 8.290 nan 0.000 0.406 166 V N 0.712 120.403 119.914 -0.371 0.000 2.379 166 V HA -0.226 3.883 4.120 -0.017 0.000 0.245 166 V C 2.628 178.602 176.094 -0.200 0.000 1.044 166 V CA 2.190 64.328 62.300 -0.269 0.000 1.036 166 V CB -1.400 30.256 31.823 -0.278 0.000 0.664 166 V HN 0.684 nan 8.190 nan 0.000 0.453 167 T N -2.176 112.264 114.554 -0.190 0.000 2.788 167 T HA -0.191 4.149 4.350 -0.017 0.000 0.268 167 T C 1.719 176.347 174.700 -0.120 0.000 1.044 167 T CA 1.329 63.374 62.100 -0.091 0.000 1.139 167 T CB -0.287 68.618 68.868 0.061 0.000 0.867 167 T HN 0.406 nan 8.240 nan 0.000 0.454 168 E N 1.811 121.880 120.200 -0.219 0.000 2.072 168 E HA 0.036 4.375 4.350 -0.017 0.000 0.191 168 E C 2.646 179.207 176.600 -0.066 0.000 0.985 168 E CA 1.320 57.633 56.400 -0.145 0.000 0.801 168 E CB -0.721 28.781 29.700 -0.329 0.000 0.750 168 E HN 0.697 nan 8.360 nan 0.000 0.452 169 A N 0.722 123.477 122.820 -0.109 0.000 2.019 169 A HA -0.076 4.234 4.320 -0.017 0.000 0.219 169 A C 1.954 179.445 177.584 -0.155 0.000 1.164 169 A CA 0.860 52.867 52.037 -0.050 0.000 0.644 169 A CB -0.259 18.711 19.000 -0.050 0.000 0.805 169 A HN 0.172 nan 8.150 nan 0.000 0.449 170 L N -0.361 120.754 121.223 -0.180 0.000 3.017 170 L HA 0.133 4.462 4.340 -0.017 0.000 0.255 170 L C 1.413 178.172 176.870 -0.186 0.000 1.247 170 L CA -0.361 54.395 54.840 -0.139 0.000 1.038 170 L CB 0.538 42.535 42.059 -0.103 0.000 1.380 170 L HN 0.088 nan 8.230 nan 0.000 0.548 171 V N 1.301 120.979 119.914 -0.393 0.000 2.370 171 V HA -0.211 3.899 4.120 -0.017 0.000 0.252 171 V C -0.171 175.697 176.094 -0.376 0.000 1.068 171 V CA 2.158 64.247 62.300 -0.352 0.000 1.061 171 V CB -1.039 30.597 31.823 -0.311 0.000 0.656 171 V HN 0.427 nan 8.190 nan 0.000 0.455 172 P HA -0.136 nan 4.420 nan 0.000 0.221 172 P C 0.844 177.806 177.300 -0.564 0.000 1.145 172 P CA 1.385 64.122 63.100 -0.605 0.000 0.795 172 P CB -0.110 30.968 31.700 -1.038 0.000 0.775 173 Y N -0.498 119.643 120.300 -0.265 0.000 2.468 173 Y HA 0.096 4.636 4.550 -0.017 0.000 0.268 173 Y C 1.296 177.132 175.900 -0.107 0.000 1.177 173 Y CA -0.530 57.480 58.100 -0.151 0.000 1.265 173 Y CB -0.443 37.936 38.460 -0.134 0.000 1.103 173 Y HN -0.046 nan 8.280 nan 0.000 0.522 174 K N 1.378 121.765 120.400 -0.021 0.000 2.168 174 K HA 0.192 4.502 4.320 -0.017 0.000 0.258 174 K C -0.094 176.490 176.600 -0.025 0.000 1.010 174 K CA -0.570 55.701 56.287 -0.027 0.000 0.929 174 K CB 0.684 33.151 32.500 -0.055 0.000 0.998 174 K HN 0.105 nan 8.250 nan 0.000 0.479 175 N N -0.163 118.514 118.700 -0.037 0.000 2.593 175 N HA -0.002 4.727 4.740 -0.017 0.000 0.304 175 N C 0.848 176.329 175.510 -0.049 0.000 1.296 175 N CA 0.052 53.087 53.050 -0.025 0.000 0.950 175 N CB -0.286 38.178 38.487 -0.038 0.000 1.127 175 N HN 0.846 nan 8.380 nan 0.000 0.587 176 H N -1.830 117.224 119.070 -0.026 0.000 2.524 176 H HA 0.250 4.795 4.556 -0.017 0.000 0.282 176 H C 0.133 175.443 175.328 -0.031 0.000 1.016 176 H CA 0.040 56.073 56.048 -0.025 0.000 1.270 176 H CB -0.278 29.473 29.762 -0.019 0.000 1.394 176 H HN 0.216 nan 8.280 nan 0.000 0.568 177 L N 1.656 122.520 121.223 -0.598 0.000 2.439 177 L HA 0.143 4.472 4.340 -0.017 0.000 0.269 177 L C 0.054 176.806 176.870 -0.196 0.000 1.179 177 L CA -0.101 54.501 54.840 -0.398 0.000 0.828 177 L CB 0.965 42.780 42.059 -0.407 0.000 1.106 177 L HN 0.279 nan 8.230 nan 0.000 0.467 178 T N 2.462 116.932 114.554 -0.140 0.000 2.749 178 T HA 0.326 4.666 4.350 -0.017 0.000 0.287 178 T C -0.349 174.198 174.700 -0.254 0.000 0.970 178 T CA -0.296 61.700 62.100 -0.172 0.000 0.980 178 T CB 1.650 70.453 68.868 -0.109 0.000 0.924 178 T HN 0.297 nan 8.240 nan 0.000 0.456 179 V N 5.711 125.441 119.914 -0.306 0.000 2.472 179 V HA 0.491 4.601 4.120 -0.017 0.000 0.290 179 V C -0.835 174.969 176.094 -0.483 0.000 1.037 179 V CA -0.520 61.586 62.300 -0.323 0.000 0.908 179 V CB 1.015 32.721 31.823 -0.195 0.000 0.985 179 V HN 0.891 nan 8.190 nan 0.000 0.454 180 H N 5.657 124.495 119.070 -0.386 0.000 2.690 180 H HA 0.451 4.997 4.556 -0.017 0.000 0.368 180 H C -1.616 173.338 175.328 -0.623 0.000 1.150 180 H CA -0.369 55.492 56.048 -0.310 0.000 1.174 180 H CB 1.991 31.598 29.762 -0.260 0.000 1.684 180 H HN 0.565 nan 8.280 nan 0.000 0.538 181 F N 1.324 121.205 119.950 -0.115 0.000 2.460 181 F HA 0.303 4.820 4.527 -0.017 0.000 0.341 181 F C -0.063 175.515 175.800 -0.370 0.000 1.130 181 F CA -0.782 57.086 58.000 -0.221 0.000 0.962 181 F CB 1.699 40.520 39.000 -0.298 0.000 1.171 181 F HN 0.114 nan 8.300 nan 0.000 0.436 182 V N 2.817 122.586 119.914 -0.241 0.000 2.459 182 V HA 0.450 4.560 4.120 -0.017 0.000 0.295 182 V C 0.092 176.093 176.094 -0.154 0.000 1.029 182 V CA -0.091 61.931 62.300 -0.463 0.000 0.874 182 V CB 1.567 33.191 31.823 -0.331 0.000 0.985 182 V HN 0.930 nan 8.190 nan 0.000 0.438 183 S N 2.553 118.266 115.700 0.021 0.000 3.084 183 S HA 0.151 4.611 4.470 -0.017 0.000 0.262 183 S C 0.616 175.314 174.600 0.163 0.000 1.081 183 S CA -0.212 58.061 58.200 0.122 0.000 0.855 183 S CB -0.090 63.184 63.200 0.123 0.000 0.857 183 S HN 0.545 nan 8.310 nan 0.000 0.449 184 N N 1.939 120.832 118.700 0.321 0.000 2.492 184 N HA 0.150 4.880 4.740 -0.017 0.000 0.260 184 N C 0.920 176.484 175.510 0.090 0.000 1.215 184 N CA 0.348 53.467 53.050 0.114 0.000 0.923 184 N CB 1.554 40.028 38.487 -0.023 0.000 1.092 184 N HN 0.155 nan 8.380 nan 0.000 0.448 185 V N 1.971 121.906 119.914 0.035 0.000 2.809 185 V HA -0.113 3.997 4.120 -0.017 0.000 0.256 185 V C 0.389 176.500 176.094 0.028 0.000 1.080 185 V CA 0.780 63.096 62.300 0.026 0.000 1.102 185 V CB -0.670 31.158 31.823 0.009 0.000 0.705 185 V HN 0.737 nan 8.190 nan 0.000 0.475 186 D N 0.553 120.964 120.400 0.019 0.000 2.581 186 D HA 0.031 4.660 4.640 -0.017 0.000 0.238 186 D C 1.449 177.773 176.300 0.041 0.000 1.145 186 D CA 0.970 54.979 54.000 0.015 0.000 0.866 186 D CB 1.211 42.004 40.800 -0.013 0.000 1.151 186 D HN 0.269 nan 8.370 nan 0.000 0.500 187 G N 3.217 112.038 108.800 0.036 0.000 2.462 187 G HA2 -0.290 3.660 3.960 -0.017 0.000 0.220 187 G HA3 -0.290 3.660 3.960 -0.017 0.000 0.220 187 G C 1.478 176.405 174.900 0.045 0.000 1.121 187 G CA 1.139 46.262 45.100 0.039 0.000 0.758 187 G HN 0.599 nan 8.290 nan 0.000 0.559 188 T N -0.507 114.074 114.554 0.045 0.000 2.737 188 T HA -0.173 4.167 4.350 -0.017 0.000 0.269 188 T C 1.888 176.648 174.700 0.100 0.000 1.040 188 T CA 1.459 63.589 62.100 0.049 0.000 1.142 188 T CB -0.374 68.510 68.868 0.026 0.000 0.861 188 T HN 0.592 nan 8.240 nan 0.000 0.456 189 H N -0.535 118.523 119.070 -0.020 0.000 2.293 189 H HA -0.059 4.487 4.556 -0.017 0.000 0.300 189 H C 2.382 177.684 175.328 -0.043 0.000 1.082 189 H CA 1.514 57.546 56.048 -0.028 0.000 1.308 189 H CB -0.032 29.712 29.762 -0.029 0.000 1.375 189 H HN 0.184 nan 8.280 nan 0.000 0.495 190 M N 0.599 120.212 119.600 0.021 0.000 2.132 190 M HA -0.027 4.443 4.480 -0.017 0.000 0.263 190 M C 2.397 178.639 176.300 -0.096 0.000 1.065 190 M CA 1.604 56.854 55.300 -0.084 0.000 1.122 190 M CB -0.358 32.199 32.600 -0.072 0.000 1.365 190 M HN 0.282 nan 8.290 nan 0.000 0.411 191 A N -0.012 122.785 122.820 -0.039 0.000 1.883 191 A HA -0.179 4.130 4.320 -0.017 0.000 0.217 191 A C 2.050 179.610 177.584 -0.040 0.000 1.186 191 A CA 1.983 53.997 52.037 -0.037 0.000 0.624 191 A CB -0.869 18.134 19.000 0.005 0.000 0.822 191 A HN 0.586 nan 8.150 nan 0.000 0.444 192 E N -0.580 119.615 120.200 -0.008 0.000 2.150 192 E HA -0.102 4.237 4.350 -0.017 0.000 0.193 192 E C 2.091 178.669 176.600 -0.037 0.000 0.985 192 E CA 1.559 57.961 56.400 0.003 0.000 0.814 192 E CB -0.601 29.128 29.700 0.047 0.000 0.752 192 E HN 0.633 nan 8.360 nan 0.000 0.466 193 T N 1.746 116.243 114.554 -0.095 0.000 2.812 193 T HA -0.017 4.323 4.350 -0.017 0.000 0.264 193 T C 2.118 176.651 174.700 -0.277 0.000 1.042 193 T CA 0.544 62.531 62.100 -0.188 0.000 1.140 193 T CB -0.145 68.577 68.868 -0.243 0.000 0.870 193 T HN 0.089 nan 8.240 nan 0.000 0.445 194 L N 1.339 122.372 121.223 -0.317 0.000 2.191 194 L HA -0.088 4.242 4.340 -0.017 0.000 0.212 194 L C 2.501 179.278 176.870 -0.155 0.000 1.103 194 L CA 1.205 55.756 54.840 -0.482 0.000 0.769 194 L CB -0.565 41.013 42.059 -0.802 0.000 0.908 194 L HN 0.426 nan 8.230 nan 0.000 0.438 195 K N -1.167 119.199 120.400 -0.056 0.000 2.504 195 K HA -0.039 4.271 4.320 -0.017 0.000 0.195 195 K C 0.962 177.590 176.600 0.047 0.000 1.036 195 K CA 0.813 57.127 56.287 0.046 0.000 0.984 195 K CB -0.072 32.455 32.500 0.044 0.000 0.788 195 K HN 0.228 nan 8.250 nan 0.000 0.488 196 N N 1.109 119.804 118.700 -0.008 0.000 2.205 196 N HA 0.048 4.777 4.740 -0.017 0.000 0.201 196 N C -0.142 175.370 175.510 0.002 0.000 1.128 196 N CA 0.298 53.355 53.050 0.012 0.000 0.867 196 N CB 1.149 39.651 38.487 0.024 0.000 0.996 196 N HN 0.227 nan 8.380 nan 0.000 0.503 197 V N -2.651 117.264 119.914 0.001 0.000 3.102 197 V HA 0.631 4.740 4.120 -0.017 0.000 0.312 197 V C -1.122 175.162 176.094 0.318 0.000 1.135 197 V CA -0.998 61.338 62.300 0.060 0.000 1.022 197 V CB 2.743 34.483 31.823 -0.139 0.000 1.056 197 V HN -0.244 nan 8.190 nan 0.000 0.436 198 D N 1.971 122.557 120.400 0.309 0.000 2.350 198 D HA 0.504 5.134 4.640 -0.017 0.000 0.245 198 D C -2.155 174.362 176.300 0.363 0.000 1.036 198 D CA -1.704 52.483 54.000 0.312 0.000 0.848 198 D CB 2.445 43.338 40.800 0.156 0.000 1.307 198 D HN 0.318 nan 8.370 nan 0.000 0.469 199 P HA -0.113 nan 4.420 nan 0.000 0.218 199 P C 0.680 178.168 177.300 0.313 0.000 1.148 199 P CA 1.169 64.347 63.100 0.129 0.000 0.822 199 P CB 0.493 31.979 31.700 -0.357 0.000 0.784 200 E N -1.135 119.197 120.200 0.219 0.000 2.268 200 E HA -0.081 4.259 4.350 -0.017 0.000 0.195 200 E C 1.253 178.041 176.600 0.313 0.000 0.995 200 E CA 1.543 58.040 56.400 0.162 0.000 0.836 200 E CB -1.024 28.621 29.700 -0.092 0.000 0.763 200 E HN 0.370 nan 8.360 nan 0.000 0.491 201 T N -3.457 111.265 114.554 0.280 0.000 3.231 201 T HA 0.248 4.588 4.350 -0.017 0.000 0.292 201 T C 0.232 175.049 174.700 0.195 0.000 1.001 201 T CA -0.562 61.675 62.100 0.229 0.000 0.920 201 T CB 0.308 69.255 68.868 0.132 0.000 1.140 201 T HN -0.194 nan 8.240 nan 0.000 0.525 202 T N 2.796 117.505 114.554 0.258 0.000 2.807 202 T HA 0.674 5.014 4.350 -0.017 0.000 0.279 202 T C -1.212 173.486 174.700 -0.003 0.000 0.993 202 T CA -0.647 61.464 62.100 0.018 0.000 0.970 202 T CB 1.943 70.751 68.868 -0.099 0.000 0.950 202 T HN 0.269 nan 8.240 nan 0.000 0.441 203 L N 3.919 125.001 121.223 -0.235 0.000 2.305 203 L HA 0.687 5.017 4.340 -0.017 0.000 0.284 203 L C -1.579 175.004 176.870 -0.478 0.000 1.013 203 L CA -0.553 54.143 54.840 -0.240 0.000 0.819 203 L CB 0.246 42.188 42.059 -0.195 0.000 1.227 203 L HN 0.511 nan 8.230 nan 0.000 0.417 204 F N 5.348 125.066 119.950 -0.386 0.000 2.404 204 F HA 0.542 5.058 4.527 -0.017 0.000 0.339 204 F C -0.197 175.476 175.800 -0.212 0.000 1.105 204 F CA -0.497 57.270 58.000 -0.389 0.000 1.087 204 F CB 1.298 39.886 39.000 -0.687 0.000 1.143 204 F HN 0.232 nan 8.300 nan 0.000 0.491 205 L N 4.313 125.544 121.223 0.013 0.000 2.305 205 L HA 0.533 4.862 4.340 -0.017 0.000 0.284 205 L C -0.868 176.030 176.870 0.045 0.000 1.013 205 L CA -0.977 53.871 54.840 0.014 0.000 0.819 205 L CB 1.475 43.491 42.059 -0.072 0.000 1.227 205 L HN 0.273 nan 8.230 nan 0.000 0.417 206 V N 2.961 122.925 119.914 0.084 0.000 2.318 206 V HA 0.434 4.543 4.120 -0.017 0.000 0.271 206 V C 0.552 176.701 176.094 0.091 0.000 1.030 206 V CA -0.410 61.904 62.300 0.024 0.000 0.844 206 V CB 1.185 32.953 31.823 -0.091 0.000 1.015 206 V HN 0.835 nan 8.190 nan 0.000 0.460 207 A N 4.094 126.933 122.820 0.031 0.000 2.341 207 A HA 0.747 5.057 4.320 -0.017 0.000 0.326 207 A C 0.143 177.773 177.584 0.078 0.000 1.402 207 A CA -0.230 51.848 52.037 0.069 0.000 0.957 207 A CB 0.672 19.682 19.000 0.017 0.000 1.151 207 A HN 0.843 nan 8.150 nan 0.000 0.533 208 S N 2.292 118.096 115.700 0.174 0.000 2.584 208 S HA 0.233 4.692 4.470 -0.017 0.000 0.282 208 S C 0.632 175.356 174.600 0.206 0.000 1.138 208 S CA -0.568 57.720 58.200 0.146 0.000 0.987 208 S CB 0.857 64.051 63.200 -0.009 0.000 1.137 208 S HN 0.580 nan 8.310 nan 0.000 0.457 209 K N 2.438 122.923 120.400 0.142 0.000 2.044 209 K HA -0.107 4.203 4.320 -0.017 0.000 0.210 209 K C 1.940 178.489 176.600 -0.085 0.000 1.049 209 K CA 2.702 58.909 56.287 -0.133 0.000 0.927 209 K CB -0.867 31.469 32.500 -0.273 0.000 0.713 209 K HN 0.859 nan 8.250 nan 0.000 0.443 210 T N -2.853 111.698 114.554 -0.005 0.000 3.043 210 T HA -0.064 4.275 4.350 -0.017 0.000 0.263 210 T C 1.027 175.812 174.700 0.141 0.000 1.094 210 T CA 0.448 62.561 62.100 0.023 0.000 1.127 210 T CB -0.352 68.523 68.868 0.012 0.000 0.905 210 T HN 0.234 nan 8.240 nan 0.000 0.490 211 F N 2.163 122.073 119.950 -0.066 0.000 3.057 211 F HA -0.266 4.250 4.527 -0.017 0.000 0.287 211 F C 1.003 176.786 175.800 -0.029 0.000 0.834 211 F CA 1.028 58.987 58.000 -0.067 0.000 1.147 211 F CB -1.821 37.128 39.000 -0.084 0.000 1.245 211 F HN 0.538 nan 8.300 nan 0.000 0.509 212 T N -4.743 109.816 114.554 0.009 0.000 3.087 212 T HA 0.205 4.545 4.350 -0.017 0.000 0.283 212 T C 0.533 175.217 174.700 -0.026 0.000 0.956 212 T CA 0.500 62.600 62.100 -0.001 0.000 0.894 212 T CB -0.002 68.888 68.868 0.037 0.000 1.160 212 T HN 0.133 nan 8.240 nan 0.000 0.532 213 T N 3.744 118.268 114.554 -0.050 0.000 2.778 213 T HA 0.033 4.372 4.350 -0.017 0.000 0.282 213 T C 1.374 176.047 174.700 -0.045 0.000 0.983 213 T CA 0.226 62.301 62.100 -0.041 0.000 1.193 213 T CB 0.796 69.636 68.868 -0.048 0.000 0.938 213 T HN 0.411 nan 8.240 nan 0.000 0.523 214 Q N 2.750 122.538 119.800 -0.019 0.000 2.029 214 Q HA -0.229 4.100 4.340 -0.017 0.000 0.209 214 Q C 2.272 178.266 176.000 -0.011 0.000 0.999 214 Q CA 1.963 57.761 55.803 -0.008 0.000 0.857 214 Q CB -0.047 28.691 28.738 -0.000 0.000 0.926 214 Q HN 0.757 nan 8.270 nan 0.000 0.415 215 E N -0.337 119.853 120.200 -0.016 0.000 2.072 215 E HA -0.125 4.215 4.350 -0.017 0.000 0.191 215 E C 2.123 178.705 176.600 -0.029 0.000 0.985 215 E CA 1.457 57.849 56.400 -0.013 0.000 0.801 215 E CB -0.078 29.618 29.700 -0.008 0.000 0.750 215 E HN 0.305 nan 8.360 nan 0.000 0.452 216 T N 1.301 115.822 114.554 -0.056 0.000 2.746 216 T HA -0.129 4.211 4.350 -0.017 0.000 0.267 216 T C 1.774 176.381 174.700 -0.155 0.000 1.039 216 T CA 1.070 63.110 62.100 -0.100 0.000 1.142 216 T CB -0.029 68.768 68.868 -0.118 0.000 0.866 216 T HN 0.059 nan 8.240 nan 0.000 0.444 217 M N 1.151 120.657 119.600 -0.155 0.000 2.254 217 M HA 0.022 4.492 4.480 -0.017 0.000 0.265 217 M C 2.463 178.773 176.300 0.015 0.000 1.066 217 M CA 1.159 56.357 55.300 -0.170 0.000 1.123 217 M CB -1.846 30.685 32.600 -0.115 0.000 1.388 217 M HN 0.191 nan 8.290 nan 0.000 0.425 218 T N 1.296 115.877 114.554 0.044 0.000 2.674 218 T HA -0.105 4.235 4.350 -0.017 0.000 0.265 218 T C 1.779 176.512 174.700 0.054 0.000 1.039 218 T CA 1.388 63.537 62.100 0.082 0.000 1.150 218 T CB -0.237 68.657 68.868 0.044 0.000 0.864 218 T HN 0.316 nan 8.240 nan 0.000 0.427 219 N N 1.379 120.080 118.700 0.001 0.000 2.104 219 N HA -0.052 4.678 4.740 -0.017 0.000 0.190 219 N C 2.140 177.632 175.510 -0.030 0.000 1.024 219 N CA 1.426 54.465 53.050 -0.017 0.000 0.853 219 N CB -0.572 37.894 38.487 -0.035 0.000 1.008 219 N HN 0.420 nan 8.380 nan 0.000 0.424 220 A N 0.596 123.370 122.820 -0.077 0.000 1.902 220 A HA -0.165 4.144 4.320 -0.017 0.000 0.217 220 A C 1.856 179.466 177.584 0.044 0.000 1.181 220 A CA 1.513 53.510 52.037 -0.067 0.000 0.623 220 A CB -0.933 17.876 19.000 -0.317 0.000 0.818 220 A HN 0.444 nan 8.150 nan 0.000 0.443 221 H N -1.148 118.002 119.070 0.132 0.000 2.389 221 H HA -0.052 4.494 4.556 -0.017 0.000 0.299 221 H C 2.310 177.649 175.328 0.019 0.000 1.081 221 H CA 1.697 57.780 56.048 0.057 0.000 1.345 221 H CB -0.057 29.719 29.762 0.024 0.000 1.393 221 H HN 0.441 nan 8.280 nan 0.000 0.520 222 T N 0.142 114.769 114.554 0.123 0.000 2.746 222 T HA -0.174 4.166 4.350 -0.017 0.000 0.267 222 T C 2.344 177.094 174.700 0.083 0.000 1.039 222 T CA 1.108 63.257 62.100 0.082 0.000 1.142 222 T CB -0.407 68.486 68.868 0.042 0.000 0.866 222 T HN 0.495 nan 8.240 nan 0.000 0.444 223 A N 1.478 124.301 122.820 0.006 0.000 1.902 223 A HA -0.091 4.218 4.320 -0.017 0.000 0.217 223 A C 2.296 180.005 177.584 0.207 0.000 1.181 223 A CA 1.646 53.632 52.037 -0.085 0.000 0.623 223 A CB -0.550 18.099 19.000 -0.585 0.000 0.818 223 A HN 0.392 nan 8.150 nan 0.000 0.443 224 R N -0.444 120.135 120.500 0.131 0.000 2.081 224 R HA -0.156 4.174 4.340 -0.017 0.000 0.235 224 R C 1.410 177.783 176.300 0.122 0.000 1.131 224 R CA 1.734 57.826 56.100 -0.014 0.000 0.960 224 R CB -0.315 29.700 30.300 -0.474 0.000 0.856 224 R HN 0.452 nan 8.270 nan 0.000 0.436 225 D N -0.463 120.004 120.400 0.113 0.000 2.097 225 D HA -0.218 4.412 4.640 -0.017 0.000 0.195 225 D C 1.376 177.782 176.300 0.176 0.000 0.989 225 D CA 1.206 55.268 54.000 0.103 0.000 0.827 225 D CB -0.506 40.349 40.800 0.093 0.000 0.966 225 D HN 0.387 nan 8.370 nan 0.000 0.456 226 W N 0.719 122.052 121.300 0.056 0.000 2.355 226 W HA -0.236 4.414 4.660 -0.017 0.000 0.309 226 W C 2.124 178.703 176.519 0.100 0.000 1.206 226 W CA 1.156 58.545 57.345 0.075 0.000 1.284 226 W CB -0.637 28.885 29.460 0.102 0.000 1.145 226 W HN -0.048 nan 8.180 nan 0.000 0.502 227 F N 0.914 121.024 119.950 0.265 0.000 2.102 227 F HA -0.187 4.330 4.527 -0.017 0.000 0.298 227 F C 1.996 177.702 175.800 -0.157 0.000 1.105 227 F CA 2.176 60.196 58.000 0.033 0.000 1.239 227 F CB -0.745 38.491 39.000 0.393 0.000 0.991 227 F HN -0.155 nan 8.300 nan 0.000 0.474 228 L N 0.279 121.393 121.223 -0.180 0.000 2.275 228 L HA -0.167 4.163 4.340 -0.017 0.000 0.215 228 L C 2.483 179.165 176.870 -0.314 0.000 1.119 228 L CA 1.191 55.848 54.840 -0.305 0.000 0.790 228 L CB -0.702 41.291 42.059 -0.110 0.000 0.919 228 L HN 0.159 nan 8.230 nan 0.000 0.443 229 K N 0.708 120.955 120.400 -0.254 0.000 2.097 229 K HA -0.190 4.120 4.320 -0.017 0.000 0.206 229 K C 2.025 178.452 176.600 -0.288 0.000 1.049 229 K CA 1.442 57.597 56.287 -0.219 0.000 0.933 229 K CB 0.020 32.418 32.500 -0.170 0.000 0.717 229 K HN 0.291 nan 8.250 nan 0.000 0.442 230 A N 0.200 122.755 122.820 -0.441 0.000 1.943 230 A HA 0.170 4.479 4.320 -0.017 0.000 0.213 230 A C 2.071 179.391 177.584 -0.440 0.000 1.181 230 A CA 1.096 52.894 52.037 -0.398 0.000 0.653 230 A CB -0.206 18.525 19.000 -0.449 0.000 0.833 230 A HN 0.407 nan 8.150 nan 0.000 0.451 231 A N -2.174 120.131 122.820 -0.858 0.000 2.063 231 A HA 0.431 4.741 4.320 -0.017 0.000 0.211 231 A C 2.117 179.445 177.584 -0.427 0.000 1.177 231 A CA 1.303 52.692 52.037 -1.081 0.000 0.759 231 A CB -0.657 17.166 19.000 -1.963 0.000 0.857 231 A HN 1.734 nan 8.150 nan 0.000 0.468 232 G N -0.104 108.499 108.800 -0.329 0.000 4.148 232 G HA2 -0.348 3.601 3.960 -0.017 0.000 0.221 232 G HA3 -0.348 3.601 3.960 -0.017 0.000 0.221 232 G C 0.297 175.125 174.900 -0.120 0.000 1.373 232 G CA 0.559 45.560 45.100 -0.164 0.000 0.940 232 G HN 0.678 nan 8.290 nan 0.000 0.610 233 D N 2.277 122.623 120.400 -0.090 0.000 2.295 233 D HA 0.363 4.993 4.640 -0.017 0.000 0.248 233 D C 1.848 178.066 176.300 -0.136 0.000 1.154 233 D CA 0.228 54.142 54.000 -0.144 0.000 0.857 233 D CB 0.859 41.501 40.800 -0.264 0.000 1.117 233 D HN 0.517 nan 8.370 nan 0.000 0.468 234 E N 3.735 123.879 120.200 -0.093 0.000 2.333 234 E HA -0.198 4.142 4.350 -0.017 0.000 0.198 234 E C 1.339 177.927 176.600 -0.021 0.000 1.007 234 E CA 0.765 57.141 56.400 -0.040 0.000 0.845 234 E CB -0.405 29.255 29.700 -0.068 0.000 0.766 234 E HN 0.432 nan 8.360 nan 0.000 0.507 235 A N 1.761 124.512 122.820 -0.116 0.000 1.978 235 A HA -0.199 4.111 4.320 -0.017 0.000 0.220 235 A C 1.840 179.432 177.584 0.014 0.000 1.170 235 A CA 1.485 53.462 52.037 -0.100 0.000 0.636 235 A CB -0.900 17.982 19.000 -0.197 0.000 0.810 235 A HN 0.308 nan 8.150 nan 0.000 0.448 236 H N -0.795 118.384 119.070 0.181 0.000 2.524 236 H HA 0.010 4.555 4.556 -0.017 0.000 0.282 236 H C 2.124 177.729 175.328 0.461 0.000 1.016 236 H CA 1.111 57.359 56.048 0.332 0.000 1.270 236 H CB -0.538 29.375 29.762 0.252 0.000 1.394 236 H HN 0.304 nan 8.280 nan 0.000 0.568 237 V N 1.222 121.400 119.914 0.440 0.000 2.469 237 V HA -0.261 3.849 4.120 -0.017 0.000 0.251 237 V C 2.688 179.012 176.094 0.383 0.000 1.064 237 V CA 1.544 64.022 62.300 0.297 0.000 1.066 237 V CB -0.958 30.902 31.823 0.062 0.000 0.667 237 V HN 0.474 nan 8.190 nan 0.000 0.461 238 A N -0.667 122.345 122.820 0.320 0.000 2.125 238 A HA -0.189 4.121 4.320 -0.017 0.000 0.219 238 A C 2.189 180.011 177.584 0.397 0.000 1.156 238 A CA 1.523 53.749 52.037 0.315 0.000 0.671 238 A CB -0.336 18.788 19.000 0.207 0.000 0.794 238 A HN 0.580 nan 8.150 nan 0.000 0.459 239 K N -1.467 119.162 120.400 0.382 0.000 2.393 239 K HA 0.097 4.406 4.320 -0.017 0.000 0.193 239 K C 0.534 177.256 176.600 0.203 0.000 1.026 239 K CA 0.436 56.888 56.287 0.276 0.000 1.064 239 K CB 0.134 32.689 32.500 0.091 0.000 0.833 239 K HN 0.604 nan 8.250 nan 0.000 0.521 240 H N -1.583 117.729 119.070 0.404 0.000 3.233 240 H HA 0.198 4.744 4.556 -0.017 0.000 0.263 240 H C -0.689 174.639 175.328 -0.000 0.000 1.168 240 H CA 0.032 56.178 56.048 0.163 0.000 1.159 240 H CB 0.718 30.356 29.762 -0.207 0.000 1.593 240 H HN -0.055 nan 8.280 nan 0.000 0.580 241 F N 0.826 120.951 119.950 0.292 0.000 2.561 241 F HA 0.609 5.125 4.527 -0.017 0.000 0.313 241 F C -0.170 175.749 175.800 0.197 0.000 1.126 241 F CA -0.929 57.230 58.000 0.266 0.000 0.918 241 F CB 2.008 41.188 39.000 0.301 0.000 1.199 241 F HN -0.060 nan 8.300 nan 0.000 0.444 242 A N 1.782 124.761 122.820 0.266 0.000 2.430 242 A HA 0.979 5.289 4.320 -0.017 0.000 0.300 242 A C -1.491 176.169 177.584 0.127 0.000 1.124 242 A CA -0.719 51.403 52.037 0.142 0.000 0.766 242 A CB 1.517 20.544 19.000 0.046 0.000 1.328 242 A HN 0.983 nan 8.150 nan 0.000 0.424 243 A N 0.620 123.480 122.820 0.067 0.000 2.355 243 A HA 0.699 5.009 4.320 -0.017 0.000 0.317 243 A C -1.033 176.613 177.584 0.104 0.000 1.094 243 A CA -0.438 51.633 52.037 0.058 0.000 0.764 243 A CB 0.729 19.581 19.000 -0.246 0.000 1.230 243 A HN 0.831 nan 8.150 nan 0.000 0.448 244 L N 2.376 123.690 121.223 0.152 0.000 2.335 244 L HA 0.660 4.990 4.340 -0.017 0.000 0.268 244 L C 0.155 177.193 176.870 0.281 0.000 1.037 244 L CA -0.149 54.805 54.840 0.189 0.000 0.895 244 L CB 0.511 42.623 42.059 0.088 0.000 1.266 244 L HN 0.690 nan 8.230 nan 0.000 0.439 245 S N 0.371 116.145 115.700 0.123 0.000 2.643 245 S HA 0.427 4.887 4.470 -0.017 0.000 0.266 245 S C 0.234 174.674 174.600 -0.266 0.000 1.130 245 S CA 0.228 58.388 58.200 -0.066 0.000 0.817 245 S CB 1.740 64.886 63.200 -0.091 0.000 1.107 245 S HN 0.615 nan 8.310 nan 0.000 0.471 246 T N -0.572 113.787 114.554 -0.326 0.000 3.043 246 T HA 0.322 4.661 4.350 -0.017 0.000 0.272 246 T C 0.133 174.695 174.700 -0.230 0.000 0.990 246 T CA -0.122 61.788 62.100 -0.316 0.000 0.897 246 T CB -0.288 68.350 68.868 -0.384 0.000 1.111 246 T HN 0.361 nan 8.240 nan 0.000 0.529 247 N N 1.974 120.547 118.700 -0.212 0.000 2.807 247 N HA 0.312 5.042 4.740 -0.017 0.000 0.259 247 N C 1.488 176.866 175.510 -0.220 0.000 1.149 247 N CA -0.012 52.942 53.050 -0.160 0.000 1.042 247 N CB 0.456 38.905 38.487 -0.063 0.000 1.367 247 N HN 0.427 nan 8.380 nan 0.000 0.516 248 G N 2.150 110.840 108.800 -0.183 0.000 2.422 248 G HA2 -0.282 3.668 3.960 -0.017 0.000 0.218 248 G HA3 -0.282 3.668 3.960 -0.017 0.000 0.218 248 G C 1.414 176.235 174.900 -0.132 0.000 1.146 248 G CA 0.615 45.608 45.100 -0.178 0.000 0.769 248 G HN 0.544 nan 8.290 nan 0.000 0.547 249 K N 0.522 120.872 120.400 -0.084 0.000 2.002 249 K HA 0.039 4.348 4.320 -0.017 0.000 0.209 249 K C 2.808 179.396 176.600 -0.019 0.000 1.048 249 K CA 1.328 57.591 56.287 -0.041 0.000 0.930 249 K CB -0.349 32.140 32.500 -0.018 0.000 0.714 249 K HN 0.186 nan 8.250 nan 0.000 0.438 250 A N 0.622 123.437 122.820 -0.009 0.000 1.933 250 A HA -0.097 4.213 4.320 -0.017 0.000 0.218 250 A C 2.233 179.847 177.584 0.050 0.000 1.175 250 A CA 1.586 53.678 52.037 0.092 0.000 0.628 250 A CB -0.581 18.539 19.000 0.200 0.000 0.814 250 A HN 0.196 nan 8.150 nan 0.000 0.444 251 V N -0.205 119.541 119.914 -0.280 0.000 2.295 251 V HA -0.238 3.871 4.120 -0.017 0.000 0.246 251 V C 3.054 179.095 176.094 -0.089 0.000 1.049 251 V CA 1.935 63.959 62.300 -0.461 0.000 1.024 251 V CB -1.202 30.226 31.823 -0.659 0.000 0.648 251 V HN 0.611 nan 8.190 nan 0.000 0.447 252 A N 0.017 122.798 122.820 -0.065 0.000 1.902 252 A HA -0.248 4.062 4.320 -0.017 0.000 0.217 252 A C 2.188 179.804 177.584 0.053 0.000 1.181 252 A CA 1.992 54.027 52.037 -0.004 0.000 0.623 252 A CB -0.516 18.470 19.000 -0.023 0.000 0.818 252 A HN 0.554 nan 8.150 nan 0.000 0.443 253 E N -0.625 119.619 120.200 0.074 0.000 2.110 253 E HA -0.187 4.153 4.350 -0.017 0.000 0.193 253 E C 1.566 178.248 176.600 0.137 0.000 0.988 253 E CA 1.359 57.814 56.400 0.092 0.000 0.804 253 E CB -0.545 29.217 29.700 0.103 0.000 0.745 253 E HN 0.583 nan 8.360 nan 0.000 0.458 254 F N -0.572 119.416 119.950 0.064 0.000 2.293 254 F HA 0.050 4.567 4.527 -0.017 0.000 0.300 254 F C 1.523 177.310 175.800 -0.022 0.000 1.086 254 F CA 1.784 59.823 58.000 0.064 0.000 1.375 254 F CB 0.285 39.389 39.000 0.173 0.000 1.045 254 F HN 0.204 nan 8.300 nan 0.000 0.516 255 G N 0.521 109.420 108.800 0.166 0.000 2.175 255 G HA2 -0.195 3.755 3.960 -0.017 0.000 0.182 255 G HA3 -0.195 3.755 3.960 -0.017 0.000 0.182 255 G C 0.137 175.133 174.900 0.161 0.000 1.003 255 G CA -0.071 45.081 45.100 0.087 0.000 0.666 255 G HN 0.272 nan 8.290 nan 0.000 0.506 256 I N 1.732 122.426 120.570 0.206 0.000 2.428 256 I HA 0.259 4.419 4.170 -0.017 0.000 0.289 256 I C 0.239 176.401 176.117 0.075 0.000 1.019 256 I CA -0.646 60.756 61.300 0.170 0.000 1.351 256 I CB 1.057 39.129 38.000 0.120 0.000 1.412 256 I HN 0.069 nan 8.210 nan 0.000 0.513 257 D N 4.441 124.895 120.400 0.091 0.000 2.383 257 D HA -0.022 4.607 4.640 -0.017 0.000 0.252 257 D C 1.288 177.566 176.300 -0.036 0.000 1.166 257 D CA -0.088 53.939 54.000 0.044 0.000 0.879 257 D CB 1.322 42.180 40.800 0.096 0.000 1.164 257 D HN 0.687 nan 8.370 nan 0.000 0.462 258 T N 0.513 115.023 114.554 -0.074 0.000 3.051 258 T HA -0.137 4.203 4.350 -0.017 0.000 0.269 258 T C 0.996 175.579 174.700 -0.196 0.000 1.127 258 T CA 0.517 62.529 62.100 -0.146 0.000 1.107 258 T CB 0.044 68.832 68.868 -0.132 0.000 0.898 258 T HN 0.268 nan 8.240 nan 0.000 0.517 259 D N 2.340 122.656 120.400 -0.141 0.000 2.264 259 D HA -0.031 4.598 4.640 -0.017 0.000 0.208 259 D C 0.939 177.017 176.300 -0.369 0.000 0.966 259 D CA 0.856 54.753 54.000 -0.172 0.000 0.864 259 D CB -0.386 40.391 40.800 -0.038 0.000 0.933 259 D HN 0.654 nan 8.370 nan 0.000 0.499 260 N N -0.388 118.102 118.700 -0.350 0.000 2.380 260 N HA 0.146 4.875 4.740 -0.017 0.000 0.255 260 N C -0.126 175.028 175.510 -0.593 0.000 1.158 260 N CA -0.152 52.562 53.050 -0.560 0.000 0.878 260 N CB 0.587 38.977 38.487 -0.161 0.000 1.138 260 N HN 0.054 nan 8.380 nan 0.000 0.509 261 M N 1.372 120.586 119.600 -0.643 0.000 2.149 261 M HA 0.387 4.857 4.480 -0.017 0.000 0.342 261 M C -1.548 174.369 176.300 -0.638 0.000 1.068 261 M CA -0.622 54.400 55.300 -0.464 0.000 0.991 261 M CB 0.601 32.997 32.600 -0.340 0.000 1.596 261 M HN -0.078 nan 8.290 nan 0.000 0.439 262 F N 4.000 123.840 119.950 -0.183 0.000 2.361 262 F HA 0.333 4.849 4.527 -0.017 0.000 0.364 262 F C 0.374 176.101 175.800 -0.122 0.000 1.117 262 F CA -0.706 57.205 58.000 -0.149 0.000 1.071 262 F CB 0.940 39.842 39.000 -0.163 0.000 1.188 262 F HN 0.539 nan 8.300 nan 0.000 0.464 263 E N 3.835 123.986 120.200 -0.082 0.000 2.280 263 E HA 0.703 5.043 4.350 -0.017 0.000 0.264 263 E C -1.009 175.275 176.600 -0.526 0.000 1.064 263 E CA -0.573 55.647 56.400 -0.299 0.000 0.900 263 E CB 1.663 31.123 29.700 -0.400 0.000 1.123 263 E HN 0.513 nan 8.360 nan 0.000 0.418 264 F N -2.001 117.315 119.950 -1.056 0.000 2.824 264 F HA 0.707 5.224 4.527 -0.017 0.000 0.330 264 F C -1.130 173.751 175.800 -1.532 0.000 1.175 264 F CA -1.305 55.819 58.000 -1.458 0.000 0.974 264 F CB 1.247 39.894 39.000 -0.588 0.000 1.430 264 F HN 0.360 nan 8.300 nan 0.000 0.507 265 W N 0.399 121.437 121.300 -0.436 0.000 2.902 265 W HA 0.256 4.906 4.660 -0.017 0.000 0.346 265 W C -0.172 175.979 176.519 -0.612 0.000 1.139 265 W CA -0.401 56.500 57.345 -0.741 0.000 1.139 265 W CB 1.184 29.784 29.460 -1.433 0.000 1.439 265 W HN 0.520 nan 8.180 nan 0.000 0.558 266 D N 0.457 120.705 120.400 -0.254 0.000 2.221 266 D HA -0.147 4.482 4.640 -0.017 0.000 0.204 266 D C 1.898 178.237 176.300 0.065 0.000 0.982 266 D CA 1.486 55.440 54.000 -0.077 0.000 0.857 266 D CB -0.064 40.746 40.800 0.016 0.000 0.934 266 D HN 0.448 nan 8.370 nan 0.000 0.475 267 W N 0.360 121.784 121.300 0.207 0.000 3.292 267 W HA 0.246 4.896 4.660 -0.017 0.000 0.263 267 W C -0.466 176.179 176.519 0.209 0.000 1.318 267 W CA -0.228 57.207 57.345 0.150 0.000 1.663 267 W CB -0.414 29.091 29.460 0.076 0.000 1.114 267 W HN -0.289 nan 8.180 nan 0.000 0.706 268 V N 2.626 122.732 119.914 0.320 0.000 2.304 268 V HA 0.441 4.551 4.120 -0.017 0.000 0.269 268 V C 0.969 177.285 176.094 0.369 0.000 1.036 268 V CA -0.632 61.915 62.300 0.413 0.000 0.840 268 V CB 0.325 32.390 31.823 0.403 0.000 1.036 268 V HN 0.137 nan 8.190 nan 0.000 0.466 269 G N 3.179 112.223 108.800 0.406 0.000 2.491 269 G HA2 0.388 4.338 3.960 -0.017 0.000 0.242 269 G HA3 0.388 4.338 3.960 -0.017 0.000 0.242 269 G C 1.137 176.223 174.900 0.310 0.000 1.266 269 G CA 0.202 45.532 45.100 0.384 0.000 0.844 269 G HN 0.864 nan 8.290 nan 0.000 0.571 270 G N 1.712 110.631 108.800 0.199 0.000 2.476 270 G HA2 -0.286 3.664 3.960 -0.017 0.000 0.218 270 G HA3 -0.286 3.664 3.960 -0.017 0.000 0.218 270 G C 1.672 176.573 174.900 0.003 0.000 1.164 270 G CA 0.968 46.126 45.100 0.096 0.000 0.768 270 G HN 0.792 nan 8.290 nan 0.000 0.560 271 R N -0.949 119.513 120.500 -0.064 0.000 2.323 271 R HA 0.142 4.471 4.340 -0.017 0.000 0.198 271 R C 0.332 176.326 176.300 -0.509 0.000 0.988 271 R CA 0.520 56.418 56.100 -0.336 0.000 1.041 271 R CB -0.251 29.779 30.300 -0.450 0.000 0.926 271 R HN 0.446 nan 8.270 nan 0.000 0.476 272 Y N 0.460 120.791 120.300 0.051 0.000 2.715 272 Y HA 0.201 4.741 4.550 -0.017 0.000 0.255 272 Y C 1.183 177.239 175.900 0.260 0.000 1.139 272 Y CA -0.396 57.779 58.100 0.123 0.000 1.151 272 Y CB 1.220 39.605 38.460 -0.125 0.000 1.201 272 Y HN 0.193 nan 8.280 nan 0.000 0.556 273 S N -0.743 115.065 115.700 0.179 0.000 2.540 273 S HA -0.011 4.449 4.470 -0.017 0.000 0.218 273 S C 1.611 176.174 174.600 -0.062 0.000 0.977 273 S CA 0.040 58.286 58.200 0.078 0.000 0.918 273 S CB -0.511 62.626 63.200 -0.105 0.000 0.806 273 S HN 0.428 nan 8.310 nan 0.000 0.496 274 L N -1.480 119.610 121.223 -0.223 0.000 2.265 274 L HA 0.308 4.637 4.340 -0.017 0.000 0.215 274 L C 1.738 178.487 176.870 -0.201 0.000 1.117 274 L CA 0.891 55.531 54.840 -0.333 0.000 0.782 274 L CB -1.521 40.211 42.059 -0.545 0.000 0.914 274 L HN 0.364 nan 8.230 nan 0.000 0.441 275 W N 0.768 122.167 121.300 0.165 0.000 2.800 275 W HA 0.223 4.873 4.660 -0.017 0.000 0.249 275 W C 1.774 178.489 176.519 0.326 0.000 1.294 275 W CA 0.333 57.805 57.345 0.212 0.000 1.402 275 W CB -0.598 28.962 29.460 0.166 0.000 1.126 275 W HN 0.365 nan 8.180 nan 0.000 0.652 276 S N 0.150 116.071 115.700 0.367 0.000 2.623 276 S HA 0.665 5.124 4.470 -0.017 0.000 0.287 276 S C 1.622 176.271 174.600 0.081 0.000 1.123 276 S CA -0.112 58.240 58.200 0.254 0.000 1.016 276 S CB 0.564 63.815 63.200 0.085 0.000 1.233 276 S HN 0.013 nan 8.310 nan 0.000 0.512 277 A N 0.333 123.140 122.820 -0.022 0.000 2.042 277 A HA -0.054 4.256 4.320 -0.017 0.000 0.222 277 A C 2.050 179.501 177.584 -0.223 0.000 1.167 277 A CA 1.470 53.450 52.037 -0.094 0.000 0.649 277 A CB -1.196 17.816 19.000 0.020 0.000 0.809 277 A HN 0.723 nan 8.150 nan 0.000 0.457 278 I N -0.082 120.272 120.570 -0.359 0.000 2.530 278 I HA -0.200 3.960 4.170 -0.017 0.000 0.257 278 I C 2.316 178.318 176.117 -0.191 0.000 1.179 278 I CA 1.456 62.567 61.300 -0.316 0.000 1.440 278 I CB -1.661 36.087 38.000 -0.420 0.000 1.087 278 I HN 0.383 nan 8.210 nan 0.000 0.440 279 G N 0.284 108.987 108.800 -0.162 0.000 2.956 279 G HA2 -0.061 3.889 3.960 -0.017 0.000 0.207 279 G HA3 -0.061 3.889 3.960 -0.017 0.000 0.207 279 G C 1.565 176.244 174.900 -0.368 0.000 1.162 279 G CA -0.165 44.834 45.100 -0.168 0.000 0.796 279 G HN 0.267 nan 8.290 nan 0.000 0.527 280 L N 2.083 123.097 121.223 -0.348 0.000 2.079 280 L HA -0.137 4.192 4.340 -0.017 0.000 0.210 280 L C 2.998 179.699 176.870 -0.282 0.000 1.081 280 L CA 2.518 57.120 54.840 -0.397 0.000 0.752 280 L CB -0.627 41.149 42.059 -0.473 0.000 0.896 280 L HN 0.311 nan 8.230 nan 0.000 0.433 281 S N -1.068 114.524 115.700 -0.179 0.000 2.399 281 S HA -0.179 4.281 4.470 -0.017 0.000 0.231 281 S C 2.042 176.612 174.600 -0.050 0.000 1.022 281 S CA 1.461 59.595 58.200 -0.111 0.000 0.983 281 S CB -0.974 62.200 63.200 -0.044 0.000 0.803 281 S HN 0.536 nan 8.310 nan 0.000 0.480 282 I N 1.502 122.039 120.570 -0.055 0.000 2.202 282 I HA -0.130 4.030 4.170 -0.017 0.000 0.242 282 I C 2.446 178.515 176.117 -0.080 0.000 1.091 282 I CA 1.352 62.638 61.300 -0.023 0.000 1.368 282 I CB -0.477 37.553 38.000 0.049 0.000 1.058 282 I HN 0.260 nan 8.210 nan 0.000 0.410 283 I N 0.613 121.033 120.570 -0.250 0.000 2.208 283 I HA -0.312 3.848 4.170 -0.017 0.000 0.245 283 I C 2.446 178.494 176.117 -0.115 0.000 1.097 283 I CA 1.598 62.779 61.300 -0.199 0.000 1.363 283 I CB -0.321 37.487 38.000 -0.321 0.000 1.051 283 I HN 0.213 nan 8.210 nan 0.000 0.413 284 L N -0.450 120.680 121.223 -0.155 0.000 2.141 284 L HA -0.184 4.146 4.340 -0.017 0.000 0.209 284 L C 2.662 179.449 176.870 -0.138 0.000 1.094 284 L CA 1.149 55.893 54.840 -0.160 0.000 0.763 284 L CB -0.470 41.471 42.059 -0.197 0.000 0.908 284 L HN 0.231 nan 8.230 nan 0.000 0.437 285 S N 0.318 115.959 115.700 -0.098 0.000 2.377 285 S HA -0.039 4.421 4.470 -0.017 0.000 0.223 285 S C 1.691 176.261 174.600 -0.051 0.000 1.030 285 S CA 0.999 59.153 58.200 -0.077 0.000 0.970 285 S CB 0.073 63.261 63.200 -0.020 0.000 0.830 285 S HN 0.519 nan 8.310 nan 0.000 0.473 286 I N -2.505 118.055 120.570 -0.017 0.000 4.154 286 I HA 0.533 4.693 4.170 -0.017 0.000 0.334 286 I C 0.689 176.831 176.117 0.041 0.000 1.371 286 I CA 0.057 61.369 61.300 0.021 0.000 1.110 286 I CB 0.199 38.219 38.000 0.033 0.000 1.085 286 I HN 0.339 nan 8.210 nan 0.000 0.398 287 G N 1.422 110.240 108.800 0.030 0.000 2.712 287 G HA2 -0.341 3.609 3.960 -0.017 0.000 0.686 287 G HA3 -0.341 3.609 3.960 -0.017 0.000 0.686 287 G C -0.313 174.665 174.900 0.131 0.000 1.321 287 G CA 0.109 45.251 45.100 0.070 0.000 0.813 287 G HN 0.316 nan 8.290 nan 0.000 0.599 288 Y N 0.671 120.998 120.300 0.044 0.000 2.293 288 Y HA -0.055 4.484 4.550 -0.017 0.000 0.291 288 Y C 2.531 178.518 175.900 0.144 0.000 1.137 288 Y CA 2.539 60.701 58.100 0.105 0.000 1.202 288 Y CB 0.037 38.541 38.460 0.074 0.000 0.990 288 Y HN 0.614 nan 8.280 nan 0.000 0.537 289 D N -0.140 120.325 120.400 0.108 0.000 2.104 289 D HA -0.212 4.418 4.640 -0.017 0.000 0.194 289 D C 1.751 178.032 176.300 -0.032 0.000 0.994 289 D CA 1.523 55.541 54.000 0.030 0.000 0.830 289 D CB -0.388 40.456 40.800 0.073 0.000 0.959 289 D HN 0.384 nan 8.370 nan 0.000 0.452 290 N N -0.094 118.607 118.700 0.001 0.000 2.188 290 N HA -0.124 4.606 4.740 -0.017 0.000 0.184 290 N C 1.718 177.199 175.510 -0.049 0.000 1.018 290 N CA 0.258 53.280 53.050 -0.046 0.000 0.858 290 N CB -0.478 37.986 38.487 -0.038 0.000 0.989 290 N HN 0.172 nan 8.380 nan 0.000 0.426 291 F N 1.928 121.777 119.950 -0.169 0.000 2.134 291 F HA -0.137 4.380 4.527 -0.017 0.000 0.299 291 F C 2.158 177.836 175.800 -0.204 0.000 1.097 291 F CA 0.876 58.771 58.000 -0.174 0.000 1.264 291 F CB -0.321 38.583 39.000 -0.161 0.000 1.001 291 F HN -0.234 nan 8.300 nan 0.000 0.479 292 V N 0.432 120.163 119.914 -0.306 0.000 2.407 292 V HA -0.256 3.853 4.120 -0.017 0.000 0.248 292 V C 2.425 178.405 176.094 -0.190 0.000 1.055 292 V CA 2.032 64.143 62.300 -0.315 0.000 1.049 292 V CB -0.616 31.016 31.823 -0.318 0.000 0.662 292 V HN 0.296 nan 8.190 nan 0.000 0.455 293 E N -0.212 119.902 120.200 -0.143 0.000 2.085 293 E HA -0.243 4.097 4.350 -0.017 0.000 0.194 293 E C 2.139 178.687 176.600 -0.087 0.000 0.994 293 E CA 1.345 57.690 56.400 -0.093 0.000 0.801 293 E CB -0.364 29.280 29.700 -0.095 0.000 0.743 293 E HN 0.501 nan 8.360 nan 0.000 0.453 294 L N 0.895 122.034 121.223 -0.140 0.000 2.017 294 L HA -0.165 4.165 4.340 -0.017 0.000 0.208 294 L C 2.346 179.230 176.870 0.022 0.000 1.073 294 L CA 1.432 56.225 54.840 -0.077 0.000 0.745 294 L CB -0.494 41.459 42.059 -0.177 0.000 0.894 294 L HN 0.065 nan 8.230 nan 0.000 0.432 295 L N -0.585 120.555 121.223 -0.138 0.000 2.042 295 L HA -0.213 4.117 4.340 -0.017 0.000 0.210 295 L C 2.696 179.555 176.870 -0.017 0.000 1.076 295 L CA 1.263 56.062 54.840 -0.069 0.000 0.749 295 L CB -1.022 40.935 42.059 -0.171 0.000 0.893 295 L HN 0.411 nan 8.230 nan 0.000 0.432 296 A N 0.279 123.093 122.820 -0.010 0.000 1.933 296 A HA -0.101 4.209 4.320 -0.017 0.000 0.218 296 A C 2.410 180.064 177.584 0.116 0.000 1.175 296 A CA 1.644 53.720 52.037 0.066 0.000 0.628 296 A CB -1.170 17.854 19.000 0.040 0.000 0.814 296 A HN 0.444 nan 8.150 nan 0.000 0.444 297 G N -0.465 108.388 108.800 0.088 0.000 2.418 297 G HA2 0.013 3.962 3.960 -0.017 0.000 0.217 297 G HA3 0.013 3.962 3.960 -0.017 0.000 0.217 297 G C 1.745 176.712 174.900 0.111 0.000 1.158 297 G CA 1.399 46.574 45.100 0.123 0.000 0.771 297 G HN 0.774 nan 8.290 nan 0.000 0.545 298 A N 0.416 123.262 122.820 0.042 0.000 1.902 298 A HA -0.120 4.189 4.320 -0.017 0.000 0.217 298 A C 2.119 179.713 177.584 0.017 0.000 1.181 298 A CA 2.136 54.112 52.037 -0.101 0.000 0.623 298 A CB -0.809 17.817 19.000 -0.623 0.000 0.818 298 A HN 0.511 nan 8.150 nan 0.000 0.443 299 H N 0.091 119.139 119.070 -0.036 0.000 2.352 299 H HA -0.099 4.447 4.556 -0.017 0.000 0.299 299 H C 1.915 177.317 175.328 0.123 0.000 1.097 299 H CA 2.088 58.160 56.048 0.039 0.000 1.311 299 H CB -0.159 29.616 29.762 0.022 0.000 1.377 299 H HN 0.638 nan 8.280 nan 0.000 0.504 300 E N -0.859 119.412 120.200 0.117 0.000 2.085 300 E HA -0.207 4.133 4.350 -0.017 0.000 0.194 300 E C 2.089 178.888 176.600 0.332 0.000 0.994 300 E CA 1.319 57.820 56.400 0.167 0.000 0.801 300 E CB -0.122 29.756 29.700 0.296 0.000 0.743 300 E HN 0.402 nan 8.360 nan 0.000 0.453 301 M N 1.265 121.038 119.600 0.288 0.000 2.175 301 M HA -0.114 4.355 4.480 -0.017 0.000 0.264 301 M C 1.071 177.571 176.300 0.334 0.000 1.063 301 M CA 1.546 56.971 55.300 0.208 0.000 1.119 301 M CB 0.011 32.581 32.600 -0.049 0.000 1.377 301 M HN -0.114 nan 8.290 nan 0.000 0.415 302 D N -0.092 120.487 120.400 0.298 0.000 2.123 302 D HA -0.197 4.432 4.640 -0.017 0.000 0.196 302 D C 2.005 178.386 176.300 0.136 0.000 0.992 302 D CA 1.457 55.693 54.000 0.393 0.000 0.833 302 D CB -0.382 40.673 40.800 0.426 0.000 0.954 302 D HN 0.549 nan 8.370 nan 0.000 0.455 303 Q N -0.659 119.143 119.800 0.003 0.000 2.084 303 Q HA -0.195 4.135 4.340 -0.017 0.000 0.202 303 Q C 2.074 178.084 176.000 0.016 0.000 0.978 303 Q CA 1.387 57.136 55.803 -0.090 0.000 0.844 303 Q CB -0.221 28.424 28.738 -0.156 0.000 0.898 303 Q HN 0.498 nan 8.270 nan 0.000 0.426 304 H N -0.140 118.992 119.070 0.103 0.000 2.321 304 H HA -0.185 4.360 4.556 -0.018 0.000 0.300 304 H C 1.702 177.117 175.328 0.145 0.000 1.087 304 H CA 1.765 57.915 56.048 0.170 0.000 1.319 304 H CB -0.229 29.777 29.762 0.406 0.000 1.379 304 H HN 0.248 nan 8.280 nan 0.000 0.501 305 F N 1.073 121.024 119.950 0.002 0.000 2.134 305 F HA -0.144 4.372 4.527 -0.017 0.000 0.299 305 F C 2.380 178.041 175.800 -0.231 0.000 1.097 305 F CA 1.614 59.547 58.000 -0.112 0.000 1.264 305 F CB -0.766 38.161 39.000 -0.122 0.000 1.001 305 F HN 0.202 nan 8.300 nan 0.000 0.479 306 V N -1.653 117.978 119.914 -0.471 0.000 2.788 306 V HA -0.038 4.071 4.120 -0.017 0.000 0.251 306 V C 1.528 177.372 176.094 -0.415 0.000 1.068 306 V CA 1.858 63.768 62.300 -0.650 0.000 1.090 306 V CB -0.746 30.537 31.823 -0.900 0.000 0.710 306 V HN 0.319 nan 8.190 nan 0.000 0.467 307 N N 0.217 118.732 118.700 -0.307 0.000 2.254 307 N HA 0.106 4.835 4.740 -0.017 0.000 0.190 307 N C 0.360 175.735 175.510 -0.225 0.000 1.107 307 N CA 0.561 53.468 53.050 -0.238 0.000 0.869 307 N CB 0.532 38.912 38.487 -0.178 0.000 0.983 307 N HN 0.507 nan 8.380 nan 0.000 0.487 308 T N 2.856 117.249 114.554 -0.268 0.000 2.799 308 T HA 0.356 4.696 4.350 -0.017 0.000 0.286 308 T C -2.521 172.062 174.700 -0.195 0.000 0.973 308 T CA -1.348 60.602 62.100 -0.250 0.000 1.035 308 T CB 2.058 70.675 68.868 -0.419 0.000 0.932 308 T HN -0.071 nan 8.240 nan 0.000 0.469 309 P HA 0.084 nan 4.420 nan 0.000 0.267 309 P C 0.619 177.847 177.300 -0.120 0.000 1.200 309 P CA -0.332 62.616 63.100 -0.253 0.000 0.772 309 P CB 0.307 31.859 31.700 -0.246 0.000 0.855 310 F N 0.967 120.776 119.950 -0.234 0.000 2.154 310 F HA -0.173 4.344 4.527 -0.016 0.000 0.301 310 F C 1.927 177.481 175.800 -0.409 0.000 1.087 310 F CA 1.506 59.379 58.000 -0.211 0.000 1.274 310 F CB -1.635 37.303 39.000 -0.103 0.000 1.009 310 F HN 0.369 nan 8.300 nan 0.000 0.485 311 E N -0.636 119.239 120.200 -0.543 0.000 2.333 311 E HA -0.098 4.242 4.350 -0.017 0.000 0.198 311 E C 1.631 178.109 176.600 -0.204 0.000 1.007 311 E CA 1.137 57.084 56.400 -0.757 0.000 0.845 311 E CB -0.304 29.006 29.700 -0.649 0.000 0.766 311 E HN 0.135 nan 8.360 nan 0.000 0.507 312 S N -0.326 115.325 115.700 -0.081 0.000 2.819 312 S HA 0.108 4.567 4.470 -0.017 0.000 0.249 312 S C 0.059 174.743 174.600 0.140 0.000 1.030 312 S CA -0.574 57.654 58.200 0.047 0.000 1.052 312 S CB 0.202 63.413 63.200 0.019 0.000 1.017 312 S HN 0.129 nan 8.310 nan 0.000 0.576 313 N N 2.151 120.923 118.700 0.120 0.000 2.437 313 N HA 0.310 5.040 4.740 -0.017 0.000 0.243 313 N C 0.830 176.518 175.510 0.297 0.000 1.041 313 N CA -0.057 53.093 53.050 0.165 0.000 0.940 313 N CB 0.296 38.874 38.487 0.151 0.000 1.133 313 N HN 0.184 nan 8.380 nan 0.000 0.506 314 I N 5.055 125.934 120.570 0.514 0.000 2.127 314 I HA -0.198 3.962 4.170 -0.017 0.000 0.241 314 I C -0.736 175.445 176.117 0.107 0.000 1.075 314 I CA 1.177 62.613 61.300 0.227 0.000 1.334 314 I CB -0.924 37.145 38.000 0.114 0.000 1.040 314 I HN 0.463 nan 8.210 nan 0.000 0.405 315 P HA -0.110 nan 4.420 nan 0.000 0.217 315 P C 1.921 179.263 177.300 0.070 0.000 1.150 315 P CA 1.143 64.268 63.100 0.042 0.000 0.832 315 P CB 0.020 31.698 31.700 -0.037 0.000 0.787 316 V N -0.445 119.559 119.914 0.150 0.000 2.307 316 V HA -0.219 3.891 4.120 -0.017 0.000 0.245 316 V C 2.351 178.441 176.094 -0.006 0.000 1.045 316 V CA 1.579 63.908 62.300 0.048 0.000 1.024 316 V CB -1.059 30.748 31.823 -0.027 0.000 0.651 316 V HN 0.037 nan 8.190 nan 0.000 0.449 317 I N -0.325 120.256 120.570 0.018 0.000 2.179 317 I HA -0.268 3.892 4.170 -0.017 0.000 0.242 317 I C 2.343 178.356 176.117 -0.174 0.000 1.088 317 I CA 1.667 62.893 61.300 -0.123 0.000 1.357 317 I CB -0.359 37.468 38.000 -0.288 0.000 1.051 317 I HN 0.242 nan 8.210 nan 0.000 0.409 318 L N 0.394 121.548 121.223 -0.114 0.000 2.046 318 L HA -0.210 4.119 4.340 -0.017 0.000 0.208 318 L C 2.865 179.721 176.870 -0.023 0.000 1.077 318 L CA 1.339 56.147 54.840 -0.054 0.000 0.747 318 L CB -0.835 41.197 42.059 -0.046 0.000 0.896 318 L HN 0.257 nan 8.230 nan 0.000 0.432 319 A N 0.260 123.053 122.820 -0.044 0.000 1.902 319 A HA -0.166 4.144 4.320 -0.017 0.000 0.217 319 A C 2.264 179.792 177.584 -0.093 0.000 1.181 319 A CA 1.493 53.489 52.037 -0.068 0.000 0.623 319 A CB -0.679 18.263 19.000 -0.097 0.000 0.818 319 A HN 0.352 nan 8.150 nan 0.000 0.443 320 L N -0.666 120.481 121.223 -0.127 0.000 2.056 320 L HA -0.142 4.188 4.340 -0.017 0.000 0.207 320 L C 2.490 179.298 176.870 -0.102 0.000 1.078 320 L CA 1.142 55.890 54.840 -0.153 0.000 0.749 320 L CB -0.492 41.398 42.059 -0.282 0.000 0.901 320 L HN 0.365 nan 8.230 nan 0.000 0.433 321 I N -0.096 120.406 120.570 -0.113 0.000 2.208 321 I HA -0.234 3.925 4.170 -0.017 0.000 0.245 321 I C 2.614 178.717 176.117 -0.024 0.000 1.097 321 I CA 1.471 62.715 61.300 -0.093 0.000 1.363 321 I CB -0.861 37.123 38.000 -0.027 0.000 1.051 321 I HN 0.301 nan 8.210 nan 0.000 0.413 322 G N 1.147 110.007 108.800 0.100 0.000 2.440 322 G HA2 -0.216 3.733 3.960 -0.017 0.000 0.218 322 G HA3 -0.216 3.733 3.960 -0.017 0.000 0.218 322 G C 1.696 176.754 174.900 0.264 0.000 1.154 322 G CA 0.636 45.872 45.100 0.227 0.000 0.767 322 G HN 0.322 nan 8.290 nan 0.000 0.552 323 I N -0.720 119.973 120.570 0.206 0.000 2.226 323 I HA -0.170 3.989 4.170 -0.017 0.000 0.245 323 I C 2.535 178.884 176.117 0.387 0.000 1.100 323 I CA 0.980 62.476 61.300 0.328 0.000 1.374 323 I CB -0.240 37.881 38.000 0.202 0.000 1.057 323 I HN 0.429 nan 8.210 nan 0.000 0.413 324 W N 1.172 122.494 121.300 0.037 0.000 2.318 324 W HA -0.314 4.337 4.660 -0.015 0.000 0.313 324 W C 2.312 178.930 176.519 0.165 0.000 1.221 324 W CA 1.592 58.958 57.345 0.036 0.000 1.266 324 W CB -0.279 29.032 29.460 -0.248 0.000 1.150 324 W HN 0.138 nan 8.180 nan 0.000 0.496 325 Y N 0.495 120.936 120.300 0.235 0.000 2.220 325 Y HA -0.172 4.367 4.550 -0.017 0.000 0.291 325 Y C 2.365 178.305 175.900 0.066 0.000 1.129 325 Y CA 1.862 59.997 58.100 0.059 0.000 1.161 325 Y CB -1.565 36.926 38.460 0.051 0.000 0.997 325 Y HN 0.032 nan 8.280 nan 0.000 0.522 326 N N 0.219 119.091 118.700 0.287 0.000 2.142 326 N HA -0.153 4.576 4.740 -0.017 0.000 0.186 326 N C 0.949 176.494 175.510 0.058 0.000 1.023 326 N CA 1.761 54.931 53.050 0.200 0.000 0.852 326 N CB -0.202 38.483 38.487 0.331 0.000 0.998 326 N HN 0.307 nan 8.380 nan 0.000 0.424 327 N N -2.152 116.559 118.700 0.017 0.000 2.282 327 N HA 0.206 4.935 4.740 -0.017 0.000 0.185 327 N C 0.144 175.113 175.510 -0.902 0.000 1.099 327 N CA 0.244 53.111 53.050 -0.306 0.000 0.878 327 N CB 0.360 38.711 38.487 -0.226 0.000 0.993 327 N HN 0.185 nan 8.380 nan 0.000 0.481 328 F N -0.959 118.719 119.950 -0.453 0.000 2.549 328 F HA 0.262 4.780 4.527 -0.016 0.000 0.275 328 F C 1.958 176.935 175.800 -1.372 0.000 0.990 328 F CA 0.253 57.659 58.000 -0.989 0.000 1.274 328 F CB -0.027 38.316 39.000 -1.094 0.000 1.064 328 F HN 0.133 nan 8.300 nan 0.000 0.715 329 H N -0.070 118.582 119.070 -0.697 0.000 2.529 329 H HA 0.155 4.701 4.556 -0.018 0.000 0.277 329 H C 1.746 176.959 175.328 -0.192 0.000 0.999 329 H CA 1.143 56.987 56.048 -0.341 0.000 1.256 329 H CB -0.111 29.629 29.762 -0.038 0.000 1.402 329 H HN 0.431 nan 8.280 nan 0.000 0.566 330 G N 0.877 109.613 108.800 -0.106 0.000 2.160 330 G HA2 -0.273 3.676 3.960 -0.017 0.000 0.251 330 G HA3 -0.273 3.676 3.960 -0.017 0.000 0.251 330 G C 0.386 175.288 174.900 0.005 0.000 1.008 330 G CA 0.312 45.371 45.100 -0.068 0.000 0.724 330 G HN 0.651 nan 8.290 nan 0.000 0.514 331 A N -0.305 122.550 122.820 0.058 0.000 2.454 331 A HA 0.639 4.949 4.320 -0.017 0.000 0.260 331 A C 1.055 178.673 177.584 0.058 0.000 1.106 331 A CA 0.709 52.781 52.037 0.059 0.000 0.780 331 A CB 0.301 19.341 19.000 0.066 0.000 1.044 331 A HN 0.499 nan 8.150 nan 0.000 0.498 332 E N 1.026 121.248 120.200 0.037 0.000 2.385 332 E HA 0.009 4.348 4.350 -0.017 0.000 0.194 332 E C 0.656 177.296 176.600 0.067 0.000 1.013 332 E CA 0.844 57.260 56.400 0.027 0.000 0.866 332 E CB 0.177 29.871 29.700 -0.010 0.000 0.832 332 E HN 0.764 nan 8.360 nan 0.000 0.500 333 S N -0.080 115.688 115.700 0.113 0.000 2.661 333 S HA 0.501 4.960 4.470 -0.017 0.000 0.285 333 S C -0.862 173.855 174.600 0.195 0.000 1.138 333 S CA -0.963 57.356 58.200 0.199 0.000 0.855 333 S CB 2.427 65.817 63.200 0.317 0.000 1.136 333 S HN -0.050 nan 8.310 nan 0.000 0.484 334 E N -0.134 120.176 120.200 0.184 0.000 2.275 334 E HA 0.620 4.960 4.350 -0.017 0.000 0.270 334 E C -1.190 175.294 176.600 -0.194 0.000 0.882 334 E CA -0.964 55.460 56.400 0.039 0.000 0.758 334 E CB 2.235 31.974 29.700 0.066 0.000 1.195 334 E HN 0.879 nan 8.360 nan 0.000 0.419 335 A N 3.795 126.371 122.820 -0.408 0.000 2.305 335 A HA 0.653 4.962 4.320 -0.017 0.000 0.322 335 A C -0.480 176.857 177.584 -0.413 0.000 1.187 335 A CA -0.503 51.043 52.037 -0.819 0.000 0.825 335 A CB 0.402 18.729 19.000 -1.121 0.000 1.164 335 A HN 0.596 nan 8.150 nan 0.000 0.498 336 I N 2.779 123.144 120.570 -0.342 0.000 2.382 336 I HA 0.297 4.456 4.170 -0.017 0.000 0.286 336 I C -0.943 175.113 176.117 -0.101 0.000 1.002 336 I CA -0.128 61.096 61.300 -0.126 0.000 1.135 336 I CB 1.373 39.352 38.000 -0.036 0.000 1.288 336 I HN 0.476 nan 8.210 nan 0.000 0.448 337 L N 8.387 129.545 121.223 -0.108 0.000 2.457 337 L HA 0.413 4.742 4.340 -0.017 0.000 0.252 337 L C -2.610 174.293 176.870 0.055 0.000 1.132 337 L CA -1.639 53.131 54.840 -0.117 0.000 0.938 337 L CB 0.949 42.757 42.059 -0.418 0.000 1.246 337 L HN 0.276 nan 8.230 nan 0.000 0.476 338 P HA 0.121 nan 4.420 nan 0.000 0.281 338 P C -0.900 176.471 177.300 0.118 0.000 1.252 338 P CA -0.165 63.001 63.100 0.111 0.000 0.778 338 P CB 0.432 32.126 31.700 -0.010 0.000 0.895 339 Y N 2.214 122.528 120.300 0.025 0.000 2.767 339 Y HA 0.338 4.877 4.550 -0.017 0.000 0.354 339 Y C 0.098 175.985 175.900 -0.022 0.000 1.292 339 Y CA 0.236 58.343 58.100 0.011 0.000 1.749 339 Y CB -0.317 38.166 38.460 0.039 0.000 1.841 339 Y HN 0.344 nan 8.280 nan 0.000 0.454 340 D N -0.264 120.150 120.400 0.025 0.000 2.484 340 D HA 0.064 4.694 4.640 -0.017 0.000 0.206 340 D C 0.565 176.863 176.300 -0.004 0.000 1.322 340 D CA -0.241 53.777 54.000 0.030 0.000 0.913 340 D CB 0.961 41.801 40.800 0.067 0.000 1.559 340 D HN 0.094 nan 8.370 nan 0.000 0.565 341 Q N 2.200 121.949 119.800 -0.085 0.000 2.135 341 Q HA -0.164 4.166 4.340 -0.017 0.000 0.204 341 Q C 0.858 176.851 176.000 -0.012 0.000 0.981 341 Q CA 1.847 57.580 55.803 -0.116 0.000 0.856 341 Q CB -0.147 28.444 28.738 -0.244 0.000 0.902 341 Q HN 0.691 nan 8.270 nan 0.000 0.425 342 Y N -0.230 120.099 120.300 0.049 0.000 2.256 342 Y HA -0.105 4.434 4.550 -0.018 0.000 0.288 342 Y C 1.316 177.279 175.900 0.106 0.000 1.155 342 Y CA 0.764 58.910 58.100 0.077 0.000 1.203 342 Y CB -0.204 38.273 38.460 0.028 0.000 0.980 342 Y HN 0.089 nan 8.280 nan 0.000 0.530 343 L N 0.713 122.060 121.223 0.205 0.000 2.715 343 L HA -0.003 4.326 4.340 -0.017 0.000 0.238 343 L C 1.659 178.600 176.870 0.118 0.000 1.212 343 L CA 0.110 55.015 54.840 0.107 0.000 1.017 343 L CB -0.805 41.256 42.059 0.003 0.000 1.269 343 L HN 0.464 nan 8.230 nan 0.000 0.452 344 H N -1.863 117.219 119.070 0.021 0.000 2.518 344 H HA -0.038 4.508 4.556 -0.017 0.000 0.289 344 H C 1.634 176.977 175.328 0.026 0.000 1.051 344 H CA 0.595 56.652 56.048 0.016 0.000 1.280 344 H CB 0.068 29.826 29.762 -0.006 0.000 1.380 344 H HN 0.083 nan 8.280 nan 0.000 0.566 345 R N -0.424 119.827 120.500 -0.415 0.000 2.432 345 R HA 0.094 4.423 4.340 -0.017 0.000 0.260 345 R C 0.851 177.101 176.300 -0.083 0.000 0.935 345 R CA -0.190 55.721 56.100 -0.316 0.000 1.080 345 R CB -0.743 29.220 30.300 -0.562 0.000 1.155 345 R HN 0.360 nan 8.270 nan 0.000 0.531 346 F N 1.924 121.804 119.950 -0.117 0.000 2.102 346 F HA -0.141 4.375 4.527 -0.018 0.000 0.298 346 F C 2.167 178.017 175.800 0.082 0.000 1.105 346 F CA 1.721 59.713 58.000 -0.014 0.000 1.239 346 F CB -0.069 38.951 39.000 0.034 0.000 0.991 346 F HN 0.094 nan 8.300 nan 0.000 0.474 347 A N 0.304 123.226 122.820 0.170 0.000 1.902 347 A HA -0.102 4.208 4.320 -0.017 0.000 0.217 347 A C 2.383 179.966 177.584 -0.001 0.000 1.181 347 A CA 1.827 53.903 52.037 0.066 0.000 0.623 347 A CB -1.590 17.452 19.000 0.070 0.000 0.818 347 A HN 0.495 nan 8.150 nan 0.000 0.443 348 A N -1.531 121.286 122.820 -0.005 0.000 1.940 348 A HA -0.144 4.166 4.320 -0.017 0.000 0.219 348 A C 2.121 179.637 177.584 -0.113 0.000 1.176 348 A CA 1.716 53.732 52.037 -0.034 0.000 0.631 348 A CB -0.809 18.182 19.000 -0.015 0.000 0.814 348 A HN 0.771 nan 8.150 nan 0.000 0.446 349 Y N -0.702 119.410 120.300 -0.312 0.000 2.181 349 Y HA -0.200 4.339 4.550 -0.018 0.000 0.288 349 Y C 1.793 177.319 175.900 -0.623 0.000 1.146 349 Y CA 1.922 59.718 58.100 -0.506 0.000 1.164 349 Y CB -0.422 37.616 38.460 -0.703 0.000 0.982 349 Y HN 0.283 nan 8.280 nan 0.000 0.515 350 F N 0.403 120.151 119.950 -0.337 0.000 2.502 350 F HA -0.136 4.381 4.527 -0.017 0.000 0.298 350 F C 2.306 177.937 175.800 -0.283 0.000 1.111 350 F CA 0.933 58.704 58.000 -0.381 0.000 1.445 350 F CB -0.269 38.477 39.000 -0.422 0.000 1.081 350 F HN 0.131 nan 8.300 nan 0.000 0.558 351 Q N 0.018 119.750 119.800 -0.112 0.000 2.061 351 Q HA -0.300 4.030 4.340 -0.017 0.000 0.204 351 Q C 2.213 178.128 176.000 -0.142 0.000 0.984 351 Q CA 1.930 57.685 55.803 -0.079 0.000 0.846 351 Q CB -0.302 28.403 28.738 -0.055 0.000 0.902 351 Q HN 0.527 nan 8.270 nan 0.000 0.421 352 Q N -0.278 119.358 119.800 -0.273 0.000 2.020 352 Q HA -0.112 4.217 4.340 -0.017 0.000 0.198 352 Q C 2.118 177.915 176.000 -0.338 0.000 0.974 352 Q CA 1.362 56.985 55.803 -0.300 0.000 0.829 352 Q CB -0.273 28.240 28.738 -0.375 0.000 0.894 352 Q HN 0.416 nan 8.270 nan 0.000 0.433 353 G N 1.257 109.733 108.800 -0.540 0.000 2.440 353 G HA2 -0.321 3.629 3.960 -0.017 0.000 0.218 353 G HA3 -0.321 3.629 3.960 -0.017 0.000 0.218 353 G C 1.422 176.258 174.900 -0.107 0.000 1.154 353 G CA 1.035 45.857 45.100 -0.464 0.000 0.767 353 G HN 0.321 nan 8.290 nan 0.000 0.552 354 N N 0.140 118.849 118.700 0.016 0.000 2.182 354 N HA 0.051 4.781 4.740 -0.017 0.000 0.186 354 N C 2.447 177.995 175.510 0.063 0.000 1.036 354 N CA 0.906 54.013 53.050 0.094 0.000 0.850 354 N CB -0.196 38.360 38.487 0.116 0.000 1.010 354 N HN 0.287 nan 8.380 nan 0.000 0.432 355 M N 0.583 120.195 119.600 0.021 0.000 2.175 355 M HA -0.053 4.417 4.480 -0.017 0.000 0.264 355 M C 1.992 178.298 176.300 0.011 0.000 1.063 355 M CA 1.168 56.481 55.300 0.022 0.000 1.119 355 M CB -0.208 32.394 32.600 0.004 0.000 1.377 355 M HN 0.174 nan 8.290 nan 0.000 0.415 356 E N -0.053 120.132 120.200 -0.025 0.000 2.208 356 E HA -0.103 4.236 4.350 -0.017 0.000 0.193 356 E C 1.767 178.377 176.600 0.017 0.000 0.988 356 E CA 0.957 57.347 56.400 -0.017 0.000 0.828 356 E CB 0.280 29.945 29.700 -0.058 0.000 0.763 356 E HN 0.381 nan 8.360 nan 0.000 0.478 357 S N 0.852 116.567 115.700 0.024 0.000 2.335 357 S HA -0.029 4.430 4.470 -0.017 0.000 0.217 357 S C 1.365 176.006 174.600 0.068 0.000 1.032 357 S CA 0.920 59.144 58.200 0.040 0.000 0.985 357 S CB -0.033 63.202 63.200 0.058 0.000 0.896 357 S HN 0.280 nan 8.310 nan 0.000 0.445 358 N N 0.814 119.583 118.700 0.115 0.000 2.230 358 N HA 0.166 4.896 4.740 -0.017 0.000 0.202 358 N C 0.458 176.030 175.510 0.103 0.000 1.119 358 N CA 0.039 53.196 53.050 0.180 0.000 0.851 358 N CB 0.358 39.066 38.487 0.368 0.000 0.990 358 N HN 0.312 nan 8.380 nan 0.000 0.497 359 G N 1.162 110.003 108.800 0.069 0.000 3.101 359 G HA2 0.146 4.096 3.960 -0.017 0.000 0.272 359 G HA3 0.146 4.096 3.960 -0.017 0.000 0.272 359 G C 0.129 175.072 174.900 0.070 0.000 0.801 359 G CA -0.036 45.086 45.100 0.036 0.000 1.978 359 G HN -0.126 nan 8.290 nan 0.000 0.591 360 K N 0.644 121.084 120.400 0.067 0.000 2.477 360 K HA 0.305 4.615 4.320 -0.017 0.000 0.255 360 K C -0.565 176.098 176.600 0.105 0.000 0.952 360 K CA -0.967 55.390 56.287 0.117 0.000 0.826 360 K CB 2.031 34.594 32.500 0.105 0.000 1.331 360 K HN 0.439 nan 8.250 nan 0.000 0.437 361 Y N -2.068 118.199 120.300 -0.054 0.000 2.610 361 Y HA 0.413 4.952 4.550 -0.017 0.000 0.254 361 Y C -0.452 175.381 175.900 -0.111 0.000 1.110 361 Y CA -0.485 57.542 58.100 -0.122 0.000 1.238 361 Y CB 0.776 39.169 38.460 -0.110 0.000 1.322 361 Y HN 0.034 nan 8.280 nan 0.000 0.547 362 V N 3.652 123.280 119.914 -0.477 0.000 2.448 362 V HA 0.271 4.381 4.120 -0.017 0.000 0.295 362 V C -0.527 175.459 176.094 -0.180 0.000 1.025 362 V CA -0.882 61.177 62.300 -0.402 0.000 0.859 362 V CB 1.371 32.918 31.823 -0.459 0.000 0.988 362 V HN 0.410 nan 8.190 nan 0.000 0.431 363 D N 4.281 124.591 120.400 -0.151 0.000 2.414 363 D HA 0.154 4.784 4.640 -0.017 0.000 0.251 363 D C 0.992 177.194 176.300 -0.163 0.000 1.252 363 D CA -0.515 53.412 54.000 -0.122 0.000 0.999 363 D CB 0.763 41.529 40.800 -0.056 0.000 1.093 363 D HN 0.325 nan 8.370 nan 0.000 0.515 364 R N -0.701 119.619 120.500 -0.301 0.000 2.237 364 R HA -0.009 4.320 4.340 -0.017 0.000 0.219 364 R C 0.746 177.014 176.300 -0.053 0.000 1.080 364 R CA 0.585 56.410 56.100 -0.459 0.000 0.995 364 R CB -0.283 29.635 30.300 -0.636 0.000 0.875 364 R HN 0.446 nan 8.270 nan 0.000 0.462 365 N N -0.291 118.388 118.700 -0.034 0.000 2.336 365 N HA 0.014 4.743 4.740 -0.017 0.000 0.189 365 N C 0.895 176.417 175.510 0.020 0.000 1.113 365 N CA 0.928 53.986 53.050 0.014 0.000 0.858 365 N CB 1.176 39.661 38.487 -0.003 0.000 0.970 365 N HN 0.372 nan 8.380 nan 0.000 0.471 366 G N 0.762 109.570 108.800 0.014 0.000 2.141 366 G HA2 -0.227 3.723 3.960 -0.017 0.000 0.242 366 G HA3 -0.227 3.723 3.960 -0.017 0.000 0.242 366 G C -0.257 174.612 174.900 -0.052 0.000 0.982 366 G CA -0.381 44.715 45.100 -0.007 0.000 0.662 366 G HN 0.260 nan 8.290 nan 0.000 0.527 367 N N 1.103 119.768 118.700 -0.060 0.000 2.443 367 N HA 0.525 5.254 4.740 -0.017 0.000 0.295 367 N C -2.827 172.618 175.510 -0.108 0.000 1.076 367 N CA -1.489 51.520 53.050 -0.067 0.000 0.919 367 N CB 1.735 40.197 38.487 -0.041 0.000 1.176 367 N HN -0.005 nan 8.380 nan 0.000 0.487 368 P HA -0.025 nan 4.420 nan 0.000 0.268 368 P C 0.091 177.301 177.300 -0.150 0.000 1.205 368 P CA -0.346 62.684 63.100 -0.115 0.000 0.771 368 P CB 0.496 32.190 31.700 -0.010 0.000 0.858 369 V N 0.745 120.507 119.914 -0.254 0.000 2.924 369 V HA 0.307 4.416 4.120 -0.017 0.000 0.305 369 V C 0.901 176.736 176.094 -0.432 0.000 1.073 369 V CA 0.426 62.398 62.300 -0.547 0.000 1.098 369 V CB 0.376 31.613 31.823 -0.976 0.000 1.000 369 V HN 0.711 nan 8.190 nan 0.000 0.484 370 T N 0.572 114.872 114.554 -0.423 0.000 3.266 370 T HA 0.488 4.827 4.350 -0.017 0.000 0.278 370 T C -0.257 174.423 174.700 -0.034 0.000 1.010 370 T CA 0.055 62.074 62.100 -0.136 0.000 0.909 370 T CB -0.939 67.934 68.868 0.007 0.000 1.122 370 T HN 1.175 nan 8.240 nan 0.000 0.536 371 Y N -2.298 117.941 120.300 -0.101 0.000 2.670 371 Y HA 0.720 5.260 4.550 -0.017 0.000 0.334 371 Y C -0.793 175.009 175.900 -0.164 0.000 1.185 371 Y CA -1.819 56.222 58.100 -0.099 0.000 1.053 371 Y CB 0.677 39.085 38.460 -0.087 0.000 1.298 371 Y HN -0.238 nan 8.280 nan 0.000 0.459 372 Q N 1.844 121.636 119.800 -0.013 0.000 2.314 372 Q HA 0.348 4.678 4.340 -0.017 0.000 0.258 372 Q C 0.218 175.905 176.000 -0.522 0.000 0.954 372 Q CA 0.511 56.187 55.803 -0.211 0.000 0.890 372 Q CB 1.800 30.450 28.738 -0.148 0.000 1.210 372 Q HN 1.029 nan 8.270 nan 0.000 0.410 373 T N -1.864 112.290 114.554 -0.666 0.000 2.909 373 T HA 0.530 4.870 4.350 -0.017 0.000 0.251 373 T C 0.645 174.726 174.700 -1.032 0.000 1.119 373 T CA -0.217 61.176 62.100 -1.177 0.000 1.009 373 T CB -0.325 68.198 68.868 -0.577 0.000 2.376 373 T HN 0.570 nan 8.240 nan 0.000 0.526 374 G N 2.943 111.427 108.800 -0.527 0.000 2.391 374 G HA2 0.462 4.412 3.960 -0.017 0.000 0.234 374 G HA3 0.462 4.412 3.960 -0.017 0.000 0.234 374 G C -2.245 172.636 174.900 -0.033 0.000 1.284 374 G CA -0.711 44.335 45.100 -0.091 0.000 0.873 374 G HN 0.699 nan 8.290 nan 0.000 0.549 375 P HA 0.390 nan 4.420 nan 0.000 0.281 375 P C -0.210 177.143 177.300 0.088 0.000 1.281 375 P CA -0.768 62.387 63.100 0.092 0.000 0.811 375 P CB 1.467 33.264 31.700 0.162 0.000 1.154 376 I N 1.023 121.645 120.570 0.087 0.000 2.416 376 I HA 0.160 4.319 4.170 -0.017 0.000 0.288 376 I C 0.499 176.733 176.117 0.195 0.000 1.051 376 I CA -0.407 60.952 61.300 0.099 0.000 1.375 376 I CB 0.220 38.252 38.000 0.052 0.000 1.407 376 I HN 0.051 nan 8.210 nan 0.000 0.516 377 I N 7.330 127.999 120.570 0.165 0.000 2.392 377 I HA 0.430 4.590 4.170 -0.017 0.000 0.295 377 I C -0.312 175.955 176.117 0.249 0.000 0.985 377 I CA -0.406 60.986 61.300 0.153 0.000 1.221 377 I CB 1.226 39.262 38.000 0.060 0.000 1.366 377 I HN 0.709 nan 8.210 nan 0.000 0.467 378 W N 4.205 125.470 121.300 -0.058 0.000 2.959 378 W HA 0.748 5.398 4.660 -0.017 0.000 0.358 378 W C -0.698 175.781 176.519 -0.067 0.000 1.228 378 W CA -1.249 56.047 57.345 -0.081 0.000 1.183 378 W CB 1.044 30.421 29.460 -0.137 0.000 1.467 378 W HN 0.830 nan 8.180 nan 0.000 0.578 379 G N 0.732 109.522 108.800 -0.017 0.000 2.353 379 G HA2 0.347 4.297 3.960 -0.017 0.000 0.308 379 G HA3 0.347 4.297 3.960 -0.017 0.000 0.308 379 G C -2.029 172.960 174.900 0.149 0.000 1.418 379 G CA -0.910 44.105 45.100 -0.140 0.000 0.966 379 G HN 0.542 nan 8.290 nan 0.000 0.638 380 E N 0.117 120.481 120.200 0.272 0.000 2.367 380 E HA 0.547 4.886 4.350 -0.017 0.000 0.273 380 E C -2.626 174.030 176.600 0.092 0.000 0.903 380 E CA -1.475 55.063 56.400 0.229 0.000 0.764 380 E CB 3.105 33.000 29.700 0.325 0.000 1.252 380 E HN 0.372 nan 8.360 nan 0.000 0.446 381 P HA 0.085 nan 4.420 nan 0.000 0.269 381 P C 0.099 177.223 177.300 -0.293 0.000 1.209 381 P CA -0.133 62.913 63.100 -0.088 0.000 0.776 381 P CB 0.523 32.202 31.700 -0.035 0.000 0.876 382 G N 0.735 109.145 108.800 -0.650 0.000 2.467 382 G HA2 0.314 4.264 3.960 -0.017 0.000 0.257 382 G HA3 0.314 4.264 3.960 -0.017 0.000 0.257 382 G C 1.007 175.480 174.900 -0.712 0.000 1.227 382 G CA -0.331 44.041 45.100 -1.213 0.000 0.835 382 G HN 0.533 nan 8.290 nan 0.000 0.556 383 T N -0.615 113.680 114.554 -0.432 0.000 3.129 383 T HA -0.017 4.323 4.350 -0.017 0.000 0.251 383 T C 1.662 176.152 174.700 -0.349 0.000 1.117 383 T CA 0.087 61.934 62.100 -0.421 0.000 1.034 383 T CB -0.076 68.711 68.868 -0.136 0.000 0.968 383 T HN 0.354 nan 8.240 nan 0.000 0.526 384 N N 2.608 121.157 118.700 -0.252 0.000 2.043 384 N HA -0.048 4.682 4.740 -0.017 0.000 0.193 384 N C 2.197 177.542 175.510 -0.275 0.000 1.037 384 N CA 1.741 54.696 53.050 -0.159 0.000 0.851 384 N CB -1.111 37.324 38.487 -0.087 0.000 1.027 384 N HN 0.593 nan 8.380 nan 0.000 0.422 385 G N 0.696 109.270 108.800 -0.377 0.000 2.408 385 G HA2 -0.283 3.666 3.960 -0.017 0.000 0.217 385 G HA3 -0.283 3.666 3.960 -0.017 0.000 0.217 385 G C 1.396 175.565 174.900 -1.218 0.000 1.150 385 G CA 0.663 45.340 45.100 -0.705 0.000 0.776 385 G HN 0.399 nan 8.290 nan 0.000 0.542 386 Q N -0.293 118.732 119.800 -1.292 0.000 2.112 386 Q HA -0.202 4.128 4.340 -0.017 0.000 0.206 386 Q C 1.829 177.184 176.000 -1.075 0.000 0.987 386 Q CA 1.343 55.986 55.803 -1.934 0.000 0.858 386 Q CB -0.161 27.771 28.738 -1.344 0.000 0.905 386 Q HN 0.586 nan 8.270 nan 0.000 0.420 387 H N -1.446 117.328 119.070 -0.494 0.000 2.539 387 H HA 0.228 4.773 4.556 -0.017 0.000 0.267 387 H C 0.968 176.185 175.328 -0.185 0.000 0.982 387 H CA 0.697 56.591 56.048 -0.256 0.000 1.146 387 H CB 0.555 30.214 29.762 -0.172 0.000 1.382 387 H HN 0.397 nan 8.280 nan 0.000 0.577 388 A N 0.540 123.239 122.820 -0.202 0.000 2.010 388 A HA 0.101 4.410 4.320 -0.017 0.000 0.210 388 A C 1.254 178.887 177.584 0.083 0.000 1.479 388 A CA 0.363 52.375 52.037 -0.042 0.000 0.748 388 A CB -0.233 18.780 19.000 0.023 0.000 1.125 388 A HN 0.250 nan 8.150 nan 0.000 0.522 389 F N -3.965 116.119 119.950 0.223 0.000 2.798 389 F HA 0.472 4.989 4.527 -0.018 0.000 0.328 389 F C 1.017 177.069 175.800 0.419 0.000 1.098 389 F CA -0.966 57.213 58.000 0.299 0.000 1.172 389 F CB -0.183 39.024 39.000 0.344 0.000 1.072 389 F HN 0.064 nan 8.300 nan 0.000 0.555 390 Y N 1.621 121.989 120.300 0.113 0.000 2.421 390 Y HA -0.135 4.405 4.550 -0.017 0.000 0.292 390 Y C 2.647 178.760 175.900 0.356 0.000 1.136 390 Y CA 1.176 59.428 58.100 0.254 0.000 1.255 390 Y CB -0.960 37.624 38.460 0.207 0.000 0.991 390 Y HN 0.321 nan 8.280 nan 0.000 0.552 391 Q N 0.768 120.827 119.800 0.431 0.000 2.096 391 Q HA -0.234 4.095 4.340 -0.017 0.000 0.208 391 Q C 2.209 178.384 176.000 0.292 0.000 0.993 391 Q CA 2.071 58.071 55.803 0.328 0.000 0.862 391 Q CB -0.816 28.053 28.738 0.219 0.000 0.915 391 Q HN 0.617 nan 8.270 nan 0.000 0.416 392 L N -0.756 120.638 121.223 0.284 0.000 2.109 392 L HA -0.033 4.297 4.340 -0.017 0.000 0.207 392 L C 2.133 179.119 176.870 0.193 0.000 1.086 392 L CA 0.978 55.945 54.840 0.212 0.000 0.760 392 L CB -0.141 42.033 42.059 0.190 0.000 0.910 392 L HN 0.352 nan 8.230 nan 0.000 0.437 393 I N -0.981 119.724 120.570 0.225 0.000 2.226 393 I HA -0.298 3.862 4.170 -0.017 0.000 0.245 393 I C 2.365 178.492 176.117 0.016 0.000 1.100 393 I CA 1.019 62.367 61.300 0.080 0.000 1.374 393 I CB -0.666 37.309 38.000 -0.042 0.000 1.057 393 I HN 0.362 nan 8.210 nan 0.000 0.413 394 H N 0.526 119.697 119.070 0.169 0.000 2.403 394 H HA 0.034 4.580 4.556 -0.017 0.000 0.298 394 H C 1.205 176.589 175.328 0.094 0.000 1.059 394 H CA 1.122 57.286 56.048 0.193 0.000 1.363 394 H CB 0.282 30.259 29.762 0.358 0.000 1.410 394 H HN 0.470 nan 8.280 nan 0.000 0.528 395 Q N 0.028 119.932 119.800 0.174 0.000 2.086 395 Q HA 0.225 4.555 4.340 -0.017 0.000 0.220 395 Q C 0.652 176.681 176.000 0.048 0.000 0.792 395 Q CA -0.330 55.497 55.803 0.039 0.000 1.062 395 Q CB 1.933 30.635 28.738 -0.061 0.000 1.198 395 Q HN 0.206 nan 8.270 nan 0.000 0.466 396 G N 0.338 109.181 108.800 0.072 0.000 2.531 396 G HA2 0.209 4.158 3.960 -0.017 0.000 0.281 396 G HA3 0.209 4.158 3.960 -0.017 0.000 0.281 396 G C 0.661 175.583 174.900 0.038 0.000 1.382 396 G CA 0.053 45.187 45.100 0.057 0.000 1.045 396 G HN 0.161 nan 8.290 nan 0.000 0.533 397 T N -2.766 111.806 114.554 0.029 0.000 3.129 397 T HA 0.395 4.735 4.350 -0.017 0.000 0.267 397 T C 0.258 174.970 174.700 0.020 0.000 1.018 397 T CA -0.226 61.887 62.100 0.022 0.000 0.903 397 T CB 0.174 69.051 68.868 0.016 0.000 1.067 397 T HN 0.166 nan 8.240 nan 0.000 0.549 398 K N 1.331 121.744 120.400 0.022 0.000 2.259 398 K HA 0.662 4.971 4.320 -0.017 0.000 0.252 398 K C -1.131 175.481 176.600 0.019 0.000 0.936 398 K CA -0.923 55.375 56.287 0.019 0.000 0.810 398 K CB 1.898 34.406 32.500 0.013 0.000 1.143 398 K HN 0.139 nan 8.250 nan 0.000 0.427 399 L N 4.360 125.589 121.223 0.009 0.000 2.281 399 L HA 0.487 4.816 4.340 -0.017 0.000 0.285 399 L C -1.124 175.723 176.870 -0.037 0.000 1.074 399 L CA 0.264 55.084 54.840 -0.033 0.000 0.817 399 L CB 0.104 42.139 42.059 -0.041 0.000 1.168 399 L HN 0.603 nan 8.230 nan 0.000 0.434 400 I N 7.414 127.949 120.570 -0.057 0.000 2.563 400 I HA 0.320 4.480 4.170 -0.017 0.000 0.276 400 I C -2.208 173.839 176.117 -0.115 0.000 1.074 400 I CA -1.660 59.633 61.300 -0.011 0.000 1.124 400 I CB 1.277 39.346 38.000 0.114 0.000 1.225 400 I HN 0.501 nan 8.210 nan 0.000 0.482 401 P HA 0.080 nan 4.420 nan 0.000 0.268 401 P C -0.833 176.414 177.300 -0.089 0.000 1.204 401 P CA -0.083 62.886 63.100 -0.218 0.000 0.768 401 P CB 0.488 32.055 31.700 -0.221 0.000 0.842 402 C N 2.700 121.980 119.300 -0.033 0.000 2.455 402 C HA 0.388 4.837 4.460 -0.017 0.000 0.320 402 C C -0.351 174.721 174.990 0.137 0.000 1.226 402 C CA -0.343 58.670 59.018 -0.009 0.000 1.569 402 C CB 1.328 29.091 27.740 0.038 0.000 2.200 402 C HN 0.493 nan 8.230 nan 0.000 0.491 403 D N 1.900 122.358 120.400 0.097 0.000 2.373 403 D HA 0.435 5.065 4.640 -0.017 0.000 0.227 403 D C -0.698 175.720 176.300 0.198 0.000 1.091 403 D CA 0.013 54.142 54.000 0.216 0.000 0.840 403 D CB 0.512 41.467 40.800 0.258 0.000 1.060 403 D HN 0.258 nan 8.370 nan 0.000 0.502 404 F N 2.279 122.308 119.950 0.132 0.000 2.411 404 F HA 0.431 4.947 4.527 -0.017 0.000 0.350 404 F C 0.620 176.657 175.800 0.395 0.000 1.114 404 F CA -0.485 57.645 58.000 0.217 0.000 1.135 404 F CB 0.738 39.699 39.000 -0.065 0.000 1.120 404 F HN 0.111 nan 8.300 nan 0.000 0.495 405 I N 3.158 124.037 120.570 0.514 0.000 2.545 405 I HA 0.779 4.939 4.170 -0.017 0.000 0.292 405 I C -0.613 175.571 176.117 0.112 0.000 1.040 405 I CA -0.752 60.732 61.300 0.306 0.000 1.068 405 I CB 1.925 39.994 38.000 0.115 0.000 1.251 405 I HN 0.647 nan 8.210 nan 0.000 0.424 406 A N 7.273 129.983 122.820 -0.183 0.000 2.589 406 A HA 0.875 5.184 4.320 -0.017 0.000 0.296 406 A C -3.056 174.376 177.584 -0.252 0.000 1.062 406 A CA -1.279 50.514 52.037 -0.406 0.000 0.686 406 A CB 2.225 20.474 19.000 -1.252 0.000 1.282 406 A HN 0.361 nan 8.150 nan 0.000 0.404 407 P HA 0.468 nan 4.420 nan 0.000 0.290 407 P C 0.518 177.862 177.300 0.072 0.000 1.275 407 P CA 0.050 63.146 63.100 -0.007 0.000 0.841 407 P CB 1.955 33.672 31.700 0.029 0.000 1.042 408 A N 3.042 125.902 122.820 0.067 0.000 1.968 408 A HA 0.080 4.389 4.320 -0.017 0.000 0.217 408 A C 0.855 178.513 177.584 0.124 0.000 1.169 408 A CA 1.286 53.403 52.037 0.134 0.000 0.638 408 A CB -0.463 18.598 19.000 0.102 0.000 0.812 408 A HN 0.431 nan 8.150 nan 0.000 0.446 409 V N 0.403 120.287 119.914 -0.049 0.000 2.409 409 V HA 0.429 4.538 4.120 -0.017 0.000 0.291 409 V C 0.176 176.025 176.094 -0.408 0.000 1.020 409 V CA -0.579 61.593 62.300 -0.213 0.000 0.848 409 V CB 1.329 33.065 31.823 -0.144 0.000 0.990 409 V HN 0.313 nan 8.190 nan 0.000 0.430 410 S N 2.777 118.088 115.700 -0.649 0.000 2.601 410 S HA 0.266 4.726 4.470 -0.017 0.000 0.271 410 S C 1.026 175.449 174.600 -0.295 0.000 1.305 410 S CA -0.408 57.496 58.200 -0.494 0.000 1.022 410 S CB 0.485 63.370 63.200 -0.526 0.000 0.940 410 S HN 0.790 nan 8.310 nan 0.000 0.525 411 H N 2.214 121.255 119.070 -0.048 0.000 2.547 411 H HA 0.162 4.708 4.556 -0.017 0.000 0.272 411 H C -0.110 175.204 175.328 -0.024 0.000 0.989 411 H CA 0.489 56.525 56.048 -0.020 0.000 1.214 411 H CB 0.153 29.932 29.762 0.029 0.000 1.389 411 H HN 0.436 nan 8.280 nan 0.000 0.577 412 N N 1.369 120.102 118.700 0.055 0.000 2.511 412 N HA 0.163 4.892 4.740 -0.017 0.000 0.249 412 N C -0.328 175.164 175.510 -0.030 0.000 0.971 412 N CA -0.173 52.881 53.050 0.008 0.000 0.938 412 N CB 1.902 40.379 38.487 -0.017 0.000 1.131 412 N HN 0.124 nan 8.380 nan 0.000 0.505 413 L N 2.529 123.740 121.223 -0.019 0.000 2.648 413 L HA 0.303 4.633 4.340 -0.017 0.000 0.238 413 L C -0.302 176.577 176.870 0.015 0.000 1.316 413 L CA -0.420 54.415 54.840 -0.009 0.000 1.241 413 L CB -0.091 41.961 42.059 -0.011 0.000 1.499 413 L HN 0.076 nan 8.230 nan 0.000 0.411 414 V N 0.896 120.825 119.914 0.025 0.000 2.328 414 V HA 0.615 4.725 4.120 -0.017 0.000 0.278 414 V C 1.133 177.330 176.094 0.173 0.000 1.021 414 V CA -0.194 62.140 62.300 0.056 0.000 0.838 414 V CB 0.626 32.427 31.823 -0.037 0.000 0.999 414 V HN 0.804 nan 8.190 nan 0.000 0.447 415 G N 5.462 114.343 108.800 0.135 0.000 2.627 415 G HA2 -0.322 3.627 3.960 -0.017 0.000 0.312 415 G HA3 -0.322 3.627 3.960 -0.017 0.000 0.312 415 G C 0.322 175.294 174.900 0.120 0.000 1.299 415 G CA 0.730 45.907 45.100 0.127 0.000 0.989 415 G HN 1.060 nan 8.290 nan 0.000 0.547 416 D N -1.420 119.027 120.400 0.079 0.000 2.463 416 D HA 0.187 4.817 4.640 -0.017 0.000 0.224 416 D C 1.317 177.659 176.300 0.070 0.000 1.174 416 D CA 0.469 54.505 54.000 0.061 0.000 0.829 416 D CB -0.515 40.294 40.800 0.015 0.000 0.993 416 D HN 0.671 nan 8.370 nan 0.000 0.497 417 H N 0.032 119.136 119.070 0.056 0.000 2.353 417 H HA -0.178 4.368 4.556 -0.017 0.000 0.298 417 H C 1.299 176.677 175.328 0.083 0.000 1.103 417 H CA 1.794 57.877 56.048 0.058 0.000 1.293 417 H CB 0.038 29.832 29.762 0.053 0.000 1.372 417 H HN 0.351 nan 8.280 nan 0.000 0.501 418 H N 0.866 120.021 119.070 0.142 0.000 2.389 418 H HA -0.056 4.489 4.556 -0.018 0.000 0.299 418 H C 2.335 177.703 175.328 0.066 0.000 1.081 418 H CA 1.370 57.466 56.048 0.080 0.000 1.345 418 H CB 0.198 29.989 29.762 0.048 0.000 1.393 418 H HN 0.328 nan 8.280 nan 0.000 0.520 419 Q N 0.057 119.906 119.800 0.081 0.000 2.124 419 Q HA -0.148 4.182 4.340 -0.017 0.000 0.202 419 Q C 2.107 178.115 176.000 0.013 0.000 0.977 419 Q CA 1.497 57.324 55.803 0.040 0.000 0.850 419 Q CB 0.079 28.858 28.738 0.069 0.000 0.901 419 Q HN 0.444 nan 8.270 nan 0.000 0.429 420 K N 0.317 120.727 120.400 0.016 0.000 2.026 420 K HA -0.164 4.146 4.320 -0.017 0.000 0.208 420 K C 2.056 178.667 176.600 0.018 0.000 1.048 420 K CA 0.972 57.267 56.287 0.015 0.000 0.929 420 K CB -0.228 32.269 32.500 -0.005 0.000 0.713 420 K HN 0.061 nan 8.250 nan 0.000 0.439 421 L N 1.045 122.266 121.223 -0.003 0.000 2.012 421 L HA -0.196 4.134 4.340 -0.017 0.000 0.210 421 L C 2.070 178.915 176.870 -0.043 0.000 1.073 421 L CA 1.792 56.639 54.840 0.011 0.000 0.748 421 L CB -0.301 41.733 42.059 -0.042 0.000 0.891 421 L HN 0.195 nan 8.230 nan 0.000 0.431 422 M N -0.689 118.778 119.600 -0.222 0.000 2.229 422 M HA -0.107 4.363 4.480 -0.017 0.000 0.264 422 M C 2.534 178.740 176.300 -0.157 0.000 1.063 422 M CA 1.611 56.718 55.300 -0.321 0.000 1.114 422 M CB -1.618 30.769 32.600 -0.354 0.000 1.387 422 M HN 0.631 nan 8.290 nan 0.000 0.420 423 S N 0.820 116.542 115.700 0.037 0.000 2.383 423 S HA -0.138 4.322 4.470 -0.017 0.000 0.229 423 S C 1.698 176.347 174.600 0.082 0.000 1.030 423 S CA 1.321 59.603 58.200 0.137 0.000 1.002 423 S CB -0.610 62.648 63.200 0.097 0.000 0.829 423 S HN 0.484 nan 8.310 nan 0.000 0.467 424 N N 0.807 119.539 118.700 0.054 0.000 2.142 424 N HA -0.024 4.706 4.740 -0.017 0.000 0.186 424 N C 1.476 176.948 175.510 -0.064 0.000 1.023 424 N CA 1.363 54.459 53.050 0.076 0.000 0.852 424 N CB -0.530 38.084 38.487 0.210 0.000 0.998 424 N HN 0.543 nan 8.380 nan 0.000 0.424 425 F N 1.573 121.239 119.950 -0.472 0.000 2.091 425 F HA -0.201 4.316 4.527 -0.018 0.000 0.299 425 F C 1.809 177.284 175.800 -0.542 0.000 1.103 425 F CA 1.499 58.998 58.000 -0.836 0.000 1.228 425 F CB -0.365 38.074 39.000 -0.934 0.000 0.984 425 F HN -0.143 nan 8.300 nan 0.000 0.477 426 F N 0.484 120.312 119.950 -0.203 0.000 2.163 426 F HA 0.072 4.589 4.527 -0.017 0.000 0.297 426 F C 2.616 178.245 175.800 -0.284 0.000 1.094 426 F CA 0.959 58.790 58.000 -0.282 0.000 1.290 426 F CB -1.653 37.294 39.000 -0.089 0.000 1.017 426 F HN 0.053 nan 8.300 nan 0.000 0.483 427 A N -0.320 122.503 122.820 0.005 0.000 1.933 427 A HA -0.164 4.146 4.320 -0.017 0.000 0.218 427 A C 2.218 179.748 177.584 -0.091 0.000 1.175 427 A CA 1.251 53.269 52.037 -0.031 0.000 0.628 427 A CB -0.574 18.430 19.000 0.005 0.000 0.814 427 A HN 0.294 nan 8.150 nan 0.000 0.444 428 Q N -0.310 119.414 119.800 -0.127 0.000 2.084 428 Q HA -0.143 4.186 4.340 -0.017 0.000 0.202 428 Q C 2.414 178.226 176.000 -0.314 0.000 0.978 428 Q CA 2.216 57.976 55.803 -0.071 0.000 0.844 428 Q CB -0.940 27.902 28.738 0.173 0.000 0.898 428 Q HN 0.884 nan 8.270 nan 0.000 0.426 429 T N -1.763 112.407 114.554 -0.640 0.000 2.904 429 T HA -0.117 4.223 4.350 -0.017 0.000 0.267 429 T C 1.719 176.179 174.700 -0.401 0.000 1.059 429 T CA 1.266 62.971 62.100 -0.660 0.000 1.137 429 T CB -0.064 68.326 68.868 -0.796 0.000 0.879 429 T HN 0.322 nan 8.240 nan 0.000 0.467 430 E N 1.463 121.505 120.200 -0.264 0.000 2.051 430 E HA -0.103 4.237 4.350 -0.017 0.000 0.192 430 E C 2.475 179.031 176.600 -0.073 0.000 0.991 430 E CA 1.083 57.419 56.400 -0.107 0.000 0.799 430 E CB -0.456 29.233 29.700 -0.018 0.000 0.748 430 E HN 0.644 nan 8.360 nan 0.000 0.449 431 A N 1.049 123.829 122.820 -0.067 0.000 1.877 431 A HA -0.159 4.151 4.320 -0.017 0.000 0.216 431 A C 2.225 179.828 177.584 0.032 0.000 1.186 431 A CA 1.200 53.224 52.037 -0.022 0.000 0.620 431 A CB -0.727 18.269 19.000 -0.008 0.000 0.822 431 A HN 0.306 nan 8.150 nan 0.000 0.443 432 L N -0.844 120.367 121.223 -0.020 0.000 2.046 432 L HA -0.219 4.111 4.340 -0.017 0.000 0.208 432 L C 3.100 179.854 176.870 -0.194 0.000 1.077 432 L CA 1.179 55.956 54.840 -0.106 0.000 0.747 432 L CB -0.496 41.413 42.059 -0.251 0.000 0.896 432 L HN 0.460 nan 8.230 nan 0.000 0.432 433 A N -0.397 122.172 122.820 -0.419 0.000 1.872 433 A HA -0.133 4.176 4.320 -0.017 0.000 0.214 433 A C 1.802 179.019 177.584 -0.613 0.000 1.187 433 A CA 1.519 53.135 52.037 -0.702 0.000 0.614 433 A CB -0.498 17.657 19.000 -1.409 0.000 0.826 433 A HN 0.359 nan 8.150 nan 0.000 0.442 434 F N -1.017 118.902 119.950 -0.052 0.000 2.678 434 F HA 0.411 4.927 4.527 -0.018 0.000 0.291 434 F C 1.810 177.615 175.800 0.008 0.000 1.123 434 F CA 0.041 58.020 58.000 -0.036 0.000 1.395 434 F CB -0.778 38.166 39.000 -0.093 0.000 1.121 434 F HN 0.460 nan 8.300 nan 0.000 0.592 435 G N 1.228 110.116 108.800 0.147 0.000 2.578 435 G HA2 -0.316 3.634 3.960 -0.017 0.000 0.275 435 G HA3 -0.316 3.634 3.960 -0.017 0.000 0.275 435 G C -0.215 174.759 174.900 0.122 0.000 1.271 435 G CA 0.129 45.332 45.100 0.171 0.000 0.941 435 G HN 0.427 nan 8.290 nan 0.000 0.564 436 K N -0.423 120.086 120.400 0.182 0.000 2.616 436 K HA 0.521 4.831 4.320 -0.017 0.000 0.255 436 K C 0.286 176.980 176.600 0.156 0.000 0.995 436 K CA 0.117 56.484 56.287 0.133 0.000 0.860 436 K CB 1.094 33.655 32.500 0.101 0.000 1.264 436 K HN 1.235 nan 8.250 nan 0.000 0.451 437 S N 2.348 118.108 115.700 0.100 0.000 2.614 437 S HA 0.349 4.808 4.470 -0.017 0.000 0.265 437 S C 1.363 176.002 174.600 0.065 0.000 1.303 437 S CA 0.037 58.284 58.200 0.079 0.000 1.000 437 S CB 1.544 64.778 63.200 0.056 0.000 0.935 437 S HN 0.691 nan 8.310 nan 0.000 0.551 438 A N 0.602 123.449 122.820 0.044 0.000 1.940 438 A HA -0.149 4.160 4.320 -0.017 0.000 0.219 438 A C 2.302 179.901 177.584 0.026 0.000 1.176 438 A CA 1.804 53.858 52.037 0.027 0.000 0.631 438 A CB -1.225 17.779 19.000 0.006 0.000 0.814 438 A HN 0.971 nan 8.150 nan 0.000 0.446 439 Q N -0.547 119.268 119.800 0.025 0.000 2.050 439 Q HA -0.156 4.173 4.340 -0.017 0.000 0.202 439 Q C 2.201 178.215 176.000 0.022 0.000 0.980 439 Q CA 1.742 57.557 55.803 0.020 0.000 0.840 439 Q CB -0.343 28.406 28.738 0.018 0.000 0.898 439 Q HN 0.610 nan 8.270 nan 0.000 0.424 440 A N -0.157 122.680 122.820 0.029 0.000 1.873 440 A HA -0.115 4.195 4.320 -0.017 0.000 0.215 440 A C 2.201 179.804 177.584 0.033 0.000 1.186 440 A CA 1.479 53.532 52.037 0.027 0.000 0.616 440 A CB -0.693 18.324 19.000 0.029 0.000 0.823 440 A HN 0.306 nan 8.150 nan 0.000 0.442 441 V N 0.050 119.992 119.914 0.046 0.000 2.343 441 V HA -0.311 3.799 4.120 -0.017 0.000 0.247 441 V C 2.729 178.847 176.094 0.039 0.000 1.051 441 V CA 2.306 64.637 62.300 0.053 0.000 1.036 441 V CB -0.850 31.016 31.823 0.072 0.000 0.654 441 V HN 0.782 nan 8.190 nan 0.000 0.451 442 Q N 0.037 119.855 119.800 0.031 0.000 2.084 442 Q HA -0.214 4.116 4.340 -0.017 0.000 0.202 442 Q C 2.235 178.247 176.000 0.020 0.000 0.978 442 Q CA 2.038 57.855 55.803 0.024 0.000 0.844 442 Q CB -0.309 28.439 28.738 0.017 0.000 0.898 442 Q HN 0.625 nan 8.270 nan 0.000 0.426 443 A N 0.816 123.647 122.820 0.018 0.000 1.902 443 A HA -0.252 4.058 4.320 -0.017 0.000 0.217 443 A C 1.917 179.510 177.584 0.014 0.000 1.181 443 A CA 1.665 53.710 52.037 0.014 0.000 0.623 443 A CB -0.726 18.280 19.000 0.010 0.000 0.818 443 A HN 0.649 nan 8.150 nan 0.000 0.443 444 E N -0.621 119.590 120.200 0.018 0.000 2.077 444 E HA -0.192 4.147 4.350 -0.017 0.000 0.193 444 E C 1.791 178.402 176.600 0.019 0.000 0.989 444 E CA 1.253 57.663 56.400 0.017 0.000 0.800 444 E CB -0.150 29.563 29.700 0.022 0.000 0.746 444 E HN 0.429 nan 8.360 nan 0.000 0.452 445 L N 1.318 122.555 121.223 0.024 0.000 2.056 445 L HA -0.132 4.198 4.340 -0.017 0.000 0.207 445 L C 2.195 179.076 176.870 0.019 0.000 1.078 445 L CA 1.615 56.470 54.840 0.024 0.000 0.749 445 L CB -0.460 41.618 42.059 0.031 0.000 0.901 445 L HN 0.132 nan 8.230 nan 0.000 0.433 446 E N -0.471 119.739 120.200 0.017 0.000 2.058 446 E HA -0.302 4.038 4.350 -0.017 0.000 0.194 446 E C 2.152 178.758 176.600 0.011 0.000 0.997 446 E CA 1.399 57.806 56.400 0.013 0.000 0.801 446 E CB -0.153 29.554 29.700 0.011 0.000 0.746 446 E HN 0.342 nan 8.360 nan 0.000 0.450 447 K N 0.491 120.897 120.400 0.010 0.000 2.209 447 K HA -0.080 4.230 4.320 -0.017 0.000 0.204 447 K C 1.722 178.327 176.600 0.008 0.000 1.048 447 K CA 1.014 57.305 56.287 0.007 0.000 0.940 447 K CB 0.001 32.504 32.500 0.006 0.000 0.729 447 K HN 0.063 nan 8.250 nan 0.000 0.451 448 A N 0.140 122.966 122.820 0.010 0.000 2.238 448 A HA 0.187 4.496 4.320 -0.017 0.000 0.208 448 A C 1.146 178.736 177.584 0.011 0.000 1.177 448 A CA 0.751 52.795 52.037 0.011 0.000 0.804 448 A CB -0.394 18.614 19.000 0.014 0.000 0.823 448 A HN 0.521 nan 8.150 nan 0.000 0.482 449 G N -0.557 108.250 108.800 0.010 0.000 2.136 449 G HA2 -0.220 3.730 3.960 -0.017 0.000 0.242 449 G HA3 -0.220 3.730 3.960 -0.017 0.000 0.242 449 G C 0.023 174.930 174.900 0.011 0.000 0.989 449 G CA 0.267 45.373 45.100 0.010 0.000 0.682 449 G HN 0.393 nan 8.290 nan 0.000 0.522 450 K N 1.141 121.550 120.400 0.014 0.000 2.202 450 K HA 0.560 4.869 4.320 -0.017 0.000 0.264 450 K C 1.072 177.681 176.600 0.016 0.000 1.010 450 K CA 0.285 56.582 56.287 0.017 0.000 0.940 450 K CB 1.226 33.739 32.500 0.022 0.000 0.983 450 K HN 0.647 nan 8.250 nan 0.000 0.475 451 S N -0.200 115.509 115.700 0.016 0.000 2.645 451 S HA 0.358 4.818 4.470 -0.017 0.000 0.266 451 S C 1.285 175.895 174.600 0.017 0.000 1.258 451 S CA -0.169 58.040 58.200 0.015 0.000 0.990 451 S CB 1.292 64.500 63.200 0.014 0.000 0.967 451 S HN 0.536 nan 8.310 nan 0.000 0.556 452 A N 1.363 124.191 122.820 0.015 0.000 1.940 452 A HA 0.112 4.422 4.320 -0.017 0.000 0.219 452 A C 2.364 179.959 177.584 0.019 0.000 1.176 452 A CA 1.876 53.922 52.037 0.015 0.000 0.631 452 A CB -1.689 17.318 19.000 0.012 0.000 0.814 452 A HN 1.332 nan 8.150 nan 0.000 0.446 453 A N -0.242 122.590 122.820 0.019 0.000 1.902 453 A HA -0.166 4.144 4.320 -0.017 0.000 0.217 453 A C 1.926 179.529 177.584 0.031 0.000 1.181 453 A CA 1.612 53.663 52.037 0.023 0.000 0.623 453 A CB -0.521 18.491 19.000 0.020 0.000 0.818 453 A HN 0.635 nan 8.150 nan 0.000 0.443 454 E N -0.376 119.842 120.200 0.029 0.000 2.077 454 E HA -0.149 4.191 4.350 -0.017 0.000 0.193 454 E C 1.887 178.514 176.600 0.045 0.000 0.989 454 E CA 1.175 57.596 56.400 0.036 0.000 0.800 454 E CB -0.283 29.435 29.700 0.030 0.000 0.746 454 E HN 0.694 nan 8.360 nan 0.000 0.452 455 I N 1.081 121.673 120.570 0.037 0.000 2.179 455 I HA -0.270 3.889 4.170 -0.017 0.000 0.242 455 I C 2.537 178.676 176.117 0.037 0.000 1.088 455 I CA 0.991 62.312 61.300 0.036 0.000 1.357 455 I CB -0.263 37.752 38.000 0.025 0.000 1.051 455 I HN 0.082 nan 8.210 nan 0.000 0.409 456 A N 0.505 123.344 122.820 0.032 0.000 1.933 456 A HA -0.131 4.179 4.320 -0.017 0.000 0.218 456 A C 2.456 180.072 177.584 0.053 0.000 1.175 456 A CA 1.803 53.856 52.037 0.028 0.000 0.628 456 A CB -0.688 18.326 19.000 0.023 0.000 0.814 456 A HN 0.448 nan 8.150 nan 0.000 0.444 457 A N -1.158 121.710 122.820 0.081 0.000 2.016 457 A HA 0.267 4.576 4.320 -0.017 0.000 0.217 457 A C 1.995 179.723 177.584 0.240 0.000 1.162 457 A CA 1.261 53.382 52.037 0.140 0.000 0.662 457 A CB -0.224 18.835 19.000 0.099 0.000 0.812 457 A HN 0.447 nan 8.150 nan 0.000 0.450 458 L N -1.847 119.486 121.223 0.183 0.000 2.547 458 L HA 0.059 4.388 4.340 -0.017 0.000 0.218 458 L C 2.215 179.198 176.870 0.188 0.000 1.048 458 L CA 0.164 55.149 54.840 0.242 0.000 0.859 458 L CB -0.117 42.026 42.059 0.139 0.000 1.128 458 L HN 0.124 nan 8.230 nan 0.000 0.483 459 V N 1.411 121.375 119.914 0.083 0.000 2.278 459 V HA -0.214 3.896 4.120 -0.017 0.000 0.251 459 V C -0.349 175.726 176.094 -0.031 0.000 1.062 459 V CA 2.353 64.674 62.300 0.035 0.000 1.038 459 V CB -1.551 30.280 31.823 0.014 0.000 0.646 459 V HN 0.302 nan 8.190 nan 0.000 0.447 460 P HA -0.137 nan 4.420 nan 0.000 0.216 460 P C 1.427 178.497 177.300 -0.383 0.000 1.150 460 P CA 1.585 64.480 63.100 -0.342 0.000 0.837 460 P CB -0.156 31.194 31.700 -0.584 0.000 0.786 461 F N -0.401 119.532 119.950 -0.030 0.000 2.558 461 F HA 0.060 4.576 4.527 -0.017 0.000 0.298 461 F C 1.828 177.576 175.800 -0.087 0.000 1.119 461 F CA 0.972 58.940 58.000 -0.055 0.000 1.451 461 F CB -0.645 38.337 39.000 -0.031 0.000 1.091 461 F HN -0.133 nan 8.300 nan 0.000 0.563 462 K N -0.067 120.386 120.400 0.089 0.000 2.374 462 K HA 0.197 4.507 4.320 -0.017 0.000 0.196 462 K C 0.094 176.744 176.600 0.082 0.000 1.023 462 K CA 0.044 56.386 56.287 0.092 0.000 1.103 462 K CB 0.594 33.182 32.500 0.145 0.000 0.848 462 K HN -0.044 nan 8.250 nan 0.000 0.528 463 V N 1.972 121.874 119.914 -0.019 0.000 2.583 463 V HA 0.134 4.243 4.120 -0.017 0.000 0.287 463 V C -0.303 175.739 176.094 -0.088 0.000 1.051 463 V CA -0.075 62.243 62.300 0.030 0.000 1.010 463 V CB 0.312 32.130 31.823 -0.009 0.000 0.988 463 V HN 0.037 nan 8.190 nan 0.000 0.478 464 F N 3.188 123.164 119.950 0.043 0.000 2.375 464 F HA 0.406 4.922 4.527 -0.017 0.000 0.361 464 F C 1.339 177.176 175.800 0.061 0.000 1.117 464 F CA -0.446 57.593 58.000 0.064 0.000 1.037 464 F CB 1.523 40.564 39.000 0.067 0.000 1.192 464 F HN 0.492 nan 8.300 nan 0.000 0.452 465 E N 2.243 122.535 120.200 0.153 0.000 2.204 465 E HA 0.038 4.377 4.350 -0.017 0.000 0.194 465 E C 1.634 178.310 176.600 0.127 0.000 0.989 465 E CA 0.916 57.382 56.400 0.111 0.000 0.824 465 E CB -0.253 29.484 29.700 0.062 0.000 0.756 465 E HN 0.926 nan 8.360 nan 0.000 0.477 466 G N 1.862 110.757 108.800 0.159 0.000 2.598 466 G HA2 -0.359 3.590 3.960 -0.017 0.000 0.244 466 G HA3 -0.359 3.590 3.960 -0.017 0.000 0.244 466 G C 0.071 174.995 174.900 0.041 0.000 1.302 466 G CA -0.008 45.153 45.100 0.102 0.000 0.903 466 G HN 0.222 nan 8.290 nan 0.000 0.575 467 N N -1.485 117.210 118.700 -0.008 0.000 2.747 467 N HA -0.168 4.562 4.740 -0.017 0.000 0.249 467 N C 0.278 175.761 175.510 -0.047 0.000 1.107 467 N CA 1.865 54.907 53.050 -0.012 0.000 0.707 467 N CB -0.490 38.023 38.487 0.042 0.000 1.054 467 N HN 0.749 nan 8.380 nan 0.000 0.555 468 R N 1.016 121.463 120.500 -0.088 0.000 2.204 468 R HA 0.362 4.691 4.340 -0.017 0.000 0.341 468 R C -2.012 174.192 176.300 -0.162 0.000 1.035 468 R CA -1.556 54.469 56.100 -0.124 0.000 0.887 468 R CB 0.814 31.037 30.300 -0.130 0.000 1.114 468 R HN 0.131 nan 8.270 nan 0.000 0.473 469 P HA 0.240 nan 4.420 nan 0.000 0.282 469 P C -0.863 176.382 177.300 -0.091 0.000 1.249 469 P CA -0.360 62.668 63.100 -0.120 0.000 0.806 469 P CB 1.640 33.273 31.700 -0.111 0.000 0.984 470 T N -1.087 113.455 114.554 -0.019 0.000 2.868 470 T HA 0.463 4.802 4.350 -0.017 0.000 0.306 470 T C -0.604 174.169 174.700 0.122 0.000 1.224 470 T CA -0.913 61.212 62.100 0.041 0.000 1.012 470 T CB 1.183 70.003 68.868 -0.081 0.000 1.221 470 T HN 0.235 nan 8.240 nan 0.000 0.499 471 N N 0.740 119.554 118.700 0.190 0.000 2.405 471 N HA 0.615 5.345 4.740 -0.017 0.000 0.299 471 N C -1.105 174.536 175.510 0.219 0.000 1.075 471 N CA -0.610 52.577 53.050 0.228 0.000 0.884 471 N CB 2.101 40.742 38.487 0.257 0.000 1.194 471 N HN 0.640 nan 8.380 nan 0.000 0.491 472 S N 1.342 117.168 115.700 0.209 0.000 2.552 472 S HA 0.551 5.011 4.470 -0.017 0.000 0.314 472 S C -0.045 174.755 174.600 0.333 0.000 1.099 472 S CA -0.581 57.761 58.200 0.238 0.000 1.070 472 S CB 0.721 63.973 63.200 0.086 0.000 0.998 472 S HN 0.336 nan 8.310 nan 0.000 0.474 473 I N 3.787 124.588 120.570 0.384 0.000 2.382 473 I HA 0.356 4.515 4.170 -0.017 0.000 0.285 473 I C -1.028 175.260 176.117 0.285 0.000 1.007 473 I CA -0.683 60.789 61.300 0.288 0.000 1.142 473 I CB 1.336 39.461 38.000 0.208 0.000 1.289 473 I HN 0.344 nan 8.210 nan 0.000 0.453 474 L N 9.375 130.752 121.223 0.256 0.000 2.287 474 L HA 0.623 4.953 4.340 -0.017 0.000 0.287 474 L C -0.325 176.620 176.870 0.124 0.000 1.022 474 L CA -0.401 54.542 54.840 0.172 0.000 0.814 474 L CB 1.533 43.747 42.059 0.258 0.000 1.217 474 L HN 0.409 nan 8.230 nan 0.000 0.420 475 V N 2.282 122.235 119.914 0.066 0.000 2.815 475 V HA 0.556 4.666 4.120 -0.017 0.000 0.314 475 V C 1.098 177.228 176.094 0.060 0.000 1.064 475 V CA -0.679 61.666 62.300 0.074 0.000 0.952 475 V CB 1.606 33.465 31.823 0.060 0.000 1.020 475 V HN 0.876 nan 8.190 nan 0.000 0.439 476 K N 1.155 121.595 120.400 0.066 0.000 2.002 476 K HA -0.052 4.258 4.320 -0.017 0.000 0.209 476 K C 0.790 177.401 176.600 0.019 0.000 1.048 476 K CA 1.969 58.286 56.287 0.049 0.000 0.930 476 K CB 0.061 32.591 32.500 0.050 0.000 0.714 476 K HN 0.879 nan 8.250 nan 0.000 0.438 477 Q N -0.174 119.641 119.800 0.025 0.000 2.426 477 Q HA 0.226 4.556 4.340 -0.017 0.000 0.278 477 Q C -1.647 174.400 176.000 0.077 0.000 1.007 477 Q CA -0.765 55.039 55.803 0.002 0.000 0.850 477 Q CB 1.416 30.122 28.738 -0.055 0.000 1.427 477 Q HN 0.056 nan 8.270 nan 0.000 0.391 478 I N 3.950 124.602 120.570 0.136 0.000 2.347 478 I HA 0.190 4.350 4.170 -0.017 0.000 0.294 478 I C 0.496 176.784 176.117 0.286 0.000 1.090 478 I CA 0.447 61.850 61.300 0.172 0.000 1.314 478 I CB -0.401 37.699 38.000 0.167 0.000 1.423 478 I HN 0.728 nan 8.210 nan 0.000 0.503 479 T N 4.064 118.698 114.554 0.133 0.000 2.926 479 T HA 0.521 4.861 4.350 -0.017 0.000 0.289 479 T C -2.132 172.452 174.700 -0.194 0.000 1.054 479 T CA -1.889 60.210 62.100 -0.002 0.000 1.015 479 T CB 2.242 71.139 68.868 0.049 0.000 1.167 479 T HN 0.124 nan 8.240 nan 0.000 0.526 480 P HA -0.058 nan 4.420 nan 0.000 0.216 480 P C 1.604 178.835 177.300 -0.116 0.000 1.150 480 P CA 0.949 63.874 63.100 -0.291 0.000 0.837 480 P CB 0.081 31.564 31.700 -0.361 0.000 0.786 481 R N -0.218 120.235 120.500 -0.078 0.000 2.066 481 R HA -0.109 4.221 4.340 -0.017 0.000 0.232 481 R C 2.113 178.447 176.300 0.056 0.000 1.131 481 R CA 2.349 58.454 56.100 0.008 0.000 0.955 481 R CB -0.940 29.376 30.300 0.026 0.000 0.851 481 R HN 0.236 nan 8.270 nan 0.000 0.432 482 T N -0.558 114.028 114.554 0.052 0.000 2.867 482 T HA -0.125 4.215 4.350 -0.017 0.000 0.268 482 T C 1.857 176.598 174.700 0.068 0.000 1.057 482 T CA 0.936 63.082 62.100 0.078 0.000 1.136 482 T CB -0.265 68.651 68.868 0.080 0.000 0.874 482 T HN 0.202 nan 8.240 nan 0.000 0.466 483 L N 2.224 123.475 121.223 0.048 0.000 2.046 483 L HA 0.255 4.585 4.340 -0.017 0.000 0.208 483 L C 2.685 179.645 176.870 0.151 0.000 1.077 483 L CA 2.024 56.907 54.840 0.072 0.000 0.747 483 L CB -1.252 40.814 42.059 0.013 0.000 0.896 483 L HN 0.369 nan 8.230 nan 0.000 0.432 484 G N -0.866 108.022 108.800 0.147 0.000 2.418 484 G HA2 -0.326 3.624 3.960 -0.017 0.000 0.217 484 G HA3 -0.326 3.624 3.960 -0.017 0.000 0.217 484 G C 1.386 176.408 174.900 0.203 0.000 1.158 484 G CA 1.043 46.307 45.100 0.274 0.000 0.771 484 G HN 0.593 nan 8.290 nan 0.000 0.545 485 N N 0.133 118.897 118.700 0.107 0.000 2.061 485 N HA -0.085 4.645 4.740 -0.017 0.000 0.193 485 N C 2.202 177.692 175.510 -0.034 0.000 1.030 485 N CA 1.038 54.075 53.050 -0.021 0.000 0.856 485 N CB -0.218 38.231 38.487 -0.063 0.000 1.023 485 N HN 0.251 nan 8.380 nan 0.000 0.424 486 L N 0.730 122.000 121.223 0.079 0.000 2.056 486 L HA -0.114 4.216 4.340 -0.017 0.000 0.207 486 L C 2.165 179.270 176.870 0.391 0.000 1.078 486 L CA 0.902 55.844 54.840 0.170 0.000 0.749 486 L CB -0.387 41.809 42.059 0.228 0.000 0.901 486 L HN 0.211 nan 8.230 nan 0.000 0.433 487 I N -0.065 120.800 120.570 0.492 0.000 2.179 487 I HA -0.267 3.892 4.170 -0.017 0.000 0.242 487 I C 2.798 179.232 176.117 0.530 0.000 1.088 487 I CA 1.216 62.914 61.300 0.663 0.000 1.357 487 I CB -0.492 37.827 38.000 0.532 0.000 1.051 487 I HN 0.183 nan 8.210 nan 0.000 0.409 488 A N 0.473 123.469 122.820 0.293 0.000 1.933 488 A HA -0.240 4.070 4.320 -0.017 0.000 0.218 488 A C 2.418 179.930 177.584 -0.119 0.000 1.175 488 A CA 1.600 53.638 52.037 0.002 0.000 0.628 488 A CB -0.634 18.299 19.000 -0.111 0.000 0.814 488 A HN 0.453 nan 8.150 nan 0.000 0.444 489 M N -1.672 117.886 119.600 -0.070 0.000 2.080 489 M HA -0.219 4.251 4.480 -0.017 0.000 0.260 489 M C 1.991 178.178 176.300 -0.188 0.000 1.068 489 M CA 2.034 57.226 55.300 -0.180 0.000 1.109 489 M CB -0.299 32.113 32.600 -0.314 0.000 1.342 489 M HN 0.489 nan 8.290 nan 0.000 0.405 490 Y N 0.833 121.094 120.300 -0.065 0.000 2.242 490 Y HA -0.163 4.377 4.550 -0.016 0.000 0.291 490 Y C 2.266 178.160 175.900 -0.010 0.000 1.137 490 Y CA 1.701 59.681 58.100 -0.199 0.000 1.181 490 Y CB -0.574 37.388 38.460 -0.830 0.000 0.989 490 Y HN 0.373 nan 8.280 nan 0.000 0.527 491 E N -0.782 119.587 120.200 0.282 0.000 2.070 491 E HA -0.256 4.083 4.350 -0.017 0.000 0.197 491 E C 1.865 178.576 176.600 0.186 0.000 1.004 491 E CA 1.603 58.193 56.400 0.316 0.000 0.805 491 E CB -0.230 29.614 29.700 0.241 0.000 0.744 491 E HN 0.577 nan 8.360 nan 0.000 0.451 492 H N 0.323 119.406 119.070 0.022 0.000 2.428 492 H HA -0.011 4.535 4.556 -0.017 0.000 0.296 492 H C 1.996 177.248 175.328 -0.127 0.000 1.062 492 H CA 0.972 56.845 56.048 -0.292 0.000 1.350 492 H CB -0.104 28.990 29.762 -1.114 0.000 1.403 492 H HN 0.107 nan 8.280 nan 0.000 0.533 493 K N 1.087 121.509 120.400 0.037 0.000 2.032 493 K HA -0.126 4.184 4.320 -0.017 0.000 0.209 493 K C 2.114 178.772 176.600 0.097 0.000 1.048 493 K CA 1.336 57.651 56.287 0.047 0.000 0.927 493 K CB -0.166 32.357 32.500 0.038 0.000 0.712 493 K HN 0.133 nan 8.250 nan 0.000 0.441 494 I N 0.558 121.233 120.570 0.175 0.000 2.208 494 I HA -0.269 3.891 4.170 -0.017 0.000 0.245 494 I C 2.293 178.530 176.117 0.199 0.000 1.097 494 I CA 1.135 62.551 61.300 0.194 0.000 1.363 494 I CB -0.322 37.844 38.000 0.276 0.000 1.051 494 I HN 0.189 nan 8.210 nan 0.000 0.413 495 F N 1.279 121.340 119.950 0.186 0.000 2.095 495 F HA -0.217 4.299 4.527 -0.018 0.000 0.298 495 F C 2.353 178.253 175.800 0.167 0.000 1.104 495 F CA 1.691 59.843 58.000 0.255 0.000 1.232 495 F CB -0.509 38.751 39.000 0.434 0.000 0.987 495 F HN -0.222 nan 8.300 nan 0.000 0.475 496 V N 0.695 120.666 119.914 0.095 0.000 2.287 496 V HA -0.345 3.764 4.120 -0.017 0.000 0.248 496 V C 2.370 178.292 176.094 -0.288 0.000 1.053 496 V CA 2.351 64.599 62.300 -0.087 0.000 1.027 496 V CB -0.931 30.913 31.823 0.034 0.000 0.646 496 V HN 0.426 nan 8.190 nan 0.000 0.447 497 Q N 0.019 119.619 119.800 -0.334 0.000 2.084 497 Q HA -0.153 4.177 4.340 -0.017 0.000 0.202 497 Q C 2.404 178.031 176.000 -0.622 0.000 0.978 497 Q CA 1.719 57.069 55.803 -0.754 0.000 0.844 497 Q CB -0.568 27.623 28.738 -0.911 0.000 0.898 497 Q HN 0.725 nan 8.270 nan 0.000 0.426 498 G N 0.213 108.878 108.800 -0.225 0.000 2.408 498 G HA2 -0.189 3.761 3.960 -0.017 0.000 0.217 498 G HA3 -0.189 3.761 3.960 -0.017 0.000 0.217 498 G C 1.514 176.349 174.900 -0.108 0.000 1.150 498 G CA 0.721 45.810 45.100 -0.018 0.000 0.776 498 G HN 0.184 nan 8.290 nan 0.000 0.542 499 V N 1.233 120.969 119.914 -0.296 0.000 2.261 499 V HA -0.155 3.954 4.120 -0.017 0.000 0.246 499 V C 2.783 178.785 176.094 -0.153 0.000 1.047 499 V CA 1.624 63.765 62.300 -0.265 0.000 1.015 499 V CB -0.403 31.188 31.823 -0.386 0.000 0.642 499 V HN 0.389 nan 8.190 nan 0.000 0.446 500 I N -1.332 119.117 120.570 -0.202 0.000 2.286 500 I HA -0.236 3.923 4.170 -0.017 0.000 0.248 500 I C 2.212 178.310 176.117 -0.031 0.000 1.115 500 I CA 1.461 62.674 61.300 -0.146 0.000 1.392 500 I CB -0.380 37.493 38.000 -0.211 0.000 1.065 500 I HN 0.416 nan 8.210 nan 0.000 0.418 501 W N 1.036 122.336 121.300 0.001 0.000 2.961 501 W HA -0.004 4.646 4.660 -0.016 0.000 0.240 501 W C 0.974 177.535 176.519 0.071 0.000 1.305 501 W CA 0.275 57.660 57.345 0.067 0.000 1.465 501 W CB -1.480 28.086 29.460 0.176 0.000 1.135 501 W HN 0.336 nan 8.180 nan 0.000 0.688 502 N N 0.671 119.456 118.700 0.143 0.000 2.758 502 N HA -0.225 4.505 4.740 -0.017 0.000 0.248 502 N C -0.390 175.091 175.510 -0.047 0.000 1.076 502 N CA 1.245 54.306 53.050 0.018 0.000 0.696 502 N CB -1.586 36.916 38.487 0.026 0.000 0.979 502 N HN 0.341 nan 8.380 nan 0.000 0.550 503 I N -4.835 115.718 120.570 -0.029 0.000 3.170 503 I HA 0.703 4.863 4.170 -0.017 0.000 0.312 503 I C -0.458 175.563 176.117 -0.160 0.000 1.085 503 I CA -1.156 60.089 61.300 -0.092 0.000 0.999 503 I CB 0.948 38.999 38.000 0.084 0.000 1.233 503 I HN -0.192 nan 8.210 nan 0.000 0.467 504 F N 1.392 121.411 119.950 0.115 0.000 2.334 504 F HA 0.385 4.901 4.527 -0.017 0.000 0.367 504 F C 1.221 177.061 175.800 0.066 0.000 1.115 504 F CA -0.263 57.819 58.000 0.137 0.000 1.116 504 F CB 1.424 40.532 39.000 0.181 0.000 1.230 504 F HN 0.426 nan 8.300 nan 0.000 0.484 505 S N 2.266 118.024 115.700 0.096 0.000 2.562 505 S HA 0.018 4.478 4.470 -0.017 0.000 0.221 505 S C 1.046 175.365 174.600 -0.468 0.000 0.975 505 S CA 0.502 58.524 58.200 -0.295 0.000 0.918 505 S CB -0.200 62.596 63.200 -0.674 0.000 0.772 505 S HN 0.490 nan 8.310 nan 0.000 0.531 506 F N 1.378 121.510 119.950 0.305 0.000 2.682 506 F HA 0.289 4.805 4.527 -0.018 0.000 0.308 506 F C 0.516 176.405 175.800 0.148 0.000 1.093 506 F CA -1.071 57.077 58.000 0.247 0.000 1.244 506 F CB 0.133 39.270 39.000 0.227 0.000 1.052 506 F HN 0.081 nan 8.300 nan 0.000 0.573 507 D N -0.390 120.128 120.400 0.197 0.000 2.494 507 D HA 0.385 5.015 4.640 -0.017 0.000 0.259 507 D C -0.092 176.173 176.300 -0.059 0.000 1.109 507 D CA -0.609 53.383 54.000 -0.014 0.000 1.040 507 D CB 0.567 41.336 40.800 -0.053 0.000 1.175 507 D HN 0.034 nan 8.370 nan 0.000 0.584 508 Q N -0.653 118.984 119.800 -0.270 0.000 3.693 508 Q HA 0.106 4.436 4.340 -0.017 0.000 0.226 508 Q C -0.832 175.076 176.000 -0.153 0.000 0.757 508 Q CA -0.544 55.183 55.803 -0.128 0.000 0.891 508 Q CB -1.285 27.405 28.738 -0.080 0.000 1.561 508 Q HN 0.746 nan 8.270 nan 0.000 0.390 509 W N 0.930 122.272 121.300 0.069 0.000 2.525 509 W HA 0.098 4.748 4.660 -0.018 0.000 0.259 509 W C 1.944 178.498 176.519 0.058 0.000 1.253 509 W CA 1.075 58.455 57.345 0.058 0.000 1.262 509 W CB 0.209 29.703 29.460 0.056 0.000 1.122 509 W HN 0.616 nan 8.180 nan 0.000 0.607 510 G N 0.371 109.311 108.800 0.233 0.000 2.679 510 G HA2 -0.132 3.818 3.960 -0.017 0.000 0.212 510 G HA3 -0.132 3.818 3.960 -0.017 0.000 0.212 510 G C 1.285 176.244 174.900 0.098 0.000 1.137 510 G CA 1.117 46.313 45.100 0.160 0.000 0.787 510 G HN 0.306 nan 8.290 nan 0.000 0.534 511 V N -3.071 116.889 119.914 0.077 0.000 3.608 511 V HA 0.226 4.336 4.120 -0.017 0.000 0.269 511 V C 1.843 177.971 176.094 0.056 0.000 1.245 511 V CA 0.943 63.267 62.300 0.041 0.000 1.138 511 V CB 0.064 31.890 31.823 0.005 0.000 0.841 511 V HN 0.333 nan 8.190 nan 0.000 0.451 512 E N 0.583 120.845 120.200 0.103 0.000 2.072 512 E HA -0.114 4.225 4.350 -0.017 0.000 0.190 512 E C 2.026 178.675 176.600 0.081 0.000 0.982 512 E CA 1.366 57.832 56.400 0.110 0.000 0.803 512 E CB -0.120 29.693 29.700 0.188 0.000 0.755 512 E HN 0.542 nan 8.360 nan 0.000 0.453 513 L N 1.004 122.274 121.223 0.077 0.000 2.017 513 L HA -0.055 4.275 4.340 -0.017 0.000 0.208 513 L C 2.227 179.117 176.870 0.035 0.000 1.073 513 L CA 2.210 57.083 54.840 0.054 0.000 0.745 513 L CB -0.939 41.149 42.059 0.049 0.000 0.894 513 L HN 0.086 nan 8.230 nan 0.000 0.432 514 G N -0.799 108.016 108.800 0.025 0.000 2.442 514 G HA2 -0.271 3.678 3.960 -0.017 0.000 0.219 514 G HA3 -0.271 3.678 3.960 -0.017 0.000 0.219 514 G C 1.669 176.574 174.900 0.008 0.000 1.141 514 G CA 0.943 46.047 45.100 0.008 0.000 0.763 514 G HN 0.440 nan 8.290 nan 0.000 0.554 515 K N 0.035 120.446 120.400 0.018 0.000 2.025 515 K HA -0.065 4.244 4.320 -0.017 0.000 0.207 515 K C 2.739 179.352 176.600 0.021 0.000 1.049 515 K CA 1.282 57.578 56.287 0.016 0.000 0.933 515 K CB -0.226 32.287 32.500 0.023 0.000 0.714 515 K HN 0.341 nan 8.250 nan 0.000 0.438 516 Q N 0.799 120.618 119.800 0.032 0.000 2.061 516 Q HA -0.146 4.184 4.340 -0.017 0.000 0.204 516 Q C 2.211 178.230 176.000 0.032 0.000 0.984 516 Q CA 1.410 57.234 55.803 0.035 0.000 0.846 516 Q CB -0.200 28.564 28.738 0.043 0.000 0.902 516 Q HN 0.296 nan 8.270 nan 0.000 0.421 517 L N -0.087 121.153 121.223 0.028 0.000 2.093 517 L HA -0.129 4.201 4.340 -0.017 0.000 0.208 517 L C 2.482 179.360 176.870 0.014 0.000 1.085 517 L CA 0.758 55.616 54.840 0.030 0.000 0.755 517 L CB -0.595 41.474 42.059 0.018 0.000 0.904 517 L HN 0.221 nan 8.230 nan 0.000 0.435 518 A N 0.306 123.124 122.820 -0.002 0.000 1.930 518 A HA -0.187 4.122 4.320 -0.017 0.000 0.217 518 A C 2.017 179.601 177.584 -0.001 0.000 1.175 518 A CA 1.617 53.644 52.037 -0.017 0.000 0.627 518 A CB -0.483 18.503 19.000 -0.023 0.000 0.815 518 A HN 0.406 nan 8.150 nan 0.000 0.443 519 N N -0.007 118.700 118.700 0.012 0.000 2.223 519 N HA -0.133 4.596 4.740 -0.017 0.000 0.185 519 N C 1.774 177.301 175.510 0.029 0.000 1.016 519 N CA 1.280 54.341 53.050 0.018 0.000 0.863 519 N CB -0.291 38.209 38.487 0.022 0.000 0.983 519 N HN 0.488 nan 8.380 nan 0.000 0.429 520 Q N 0.340 120.166 119.800 0.043 0.000 2.123 520 Q HA 0.098 4.427 4.340 -0.017 0.000 0.199 520 Q C 2.236 178.289 176.000 0.089 0.000 0.966 520 Q CA 0.560 56.403 55.803 0.067 0.000 0.845 520 Q CB -0.019 28.776 28.738 0.094 0.000 0.907 520 Q HN 0.466 nan 8.270 nan 0.000 0.439 521 I N 0.371 120.984 120.570 0.072 0.000 2.406 521 I HA -0.221 3.939 4.170 -0.017 0.000 0.249 521 I C 2.194 178.324 176.117 0.022 0.000 1.122 521 I CA 0.183 61.512 61.300 0.048 0.000 1.431 521 I CB -0.178 37.787 38.000 -0.059 0.000 1.087 521 I HN 0.121 nan 8.210 nan 0.000 0.424 522 L N 2.740 123.968 121.223 0.008 0.000 1.997 522 L HA -0.175 4.155 4.340 -0.017 0.000 0.216 522 L C -0.444 176.441 176.870 0.026 0.000 1.074 522 L CA 2.526 57.369 54.840 0.005 0.000 0.763 522 L CB -1.761 40.300 42.059 0.004 0.000 0.890 522 L HN 0.126 nan 8.230 nan 0.000 0.434 523 P HA -0.153 nan 4.420 nan 0.000 0.223 523 P C 1.057 178.387 177.300 0.049 0.000 1.151 523 P CA 1.332 64.454 63.100 0.036 0.000 0.787 523 P CB -0.142 31.575 31.700 0.030 0.000 0.788 524 E N -0.328 119.909 120.200 0.061 0.000 2.418 524 E HA -0.006 4.334 4.350 -0.017 0.000 0.197 524 E C 1.657 178.314 176.600 0.095 0.000 1.026 524 E CA 0.428 56.875 56.400 0.078 0.000 0.862 524 E CB -0.324 29.442 29.700 0.109 0.000 0.799 524 E HN 0.340 nan 8.360 nan 0.000 0.518 525 L N -0.194 121.086 121.223 0.095 0.000 2.585 525 L HA 0.195 4.524 4.340 -0.017 0.000 0.226 525 L C 2.245 179.216 176.870 0.168 0.000 1.113 525 L CA -0.059 54.882 54.840 0.169 0.000 0.876 525 L CB -0.050 42.082 42.059 0.121 0.000 1.072 525 L HN 0.088 nan 8.230 nan 0.000 0.468 526 A N 0.780 123.660 122.820 0.101 0.000 1.898 526 A HA -0.138 4.171 4.320 -0.017 0.000 0.216 526 A C 0.936 178.558 177.584 0.063 0.000 1.181 526 A CA 1.611 53.693 52.037 0.076 0.000 0.620 526 A CB -0.367 18.663 19.000 0.050 0.000 0.819 526 A HN 0.523 nan 8.150 nan 0.000 0.442 527 D N -2.218 118.216 120.400 0.058 0.000 2.569 527 D HA 0.388 5.017 4.640 -0.017 0.000 0.266 527 D C 0.670 176.989 176.300 0.031 0.000 1.164 527 D CA 0.171 54.192 54.000 0.036 0.000 1.071 527 D CB 0.544 41.359 40.800 0.026 0.000 1.183 527 D HN 0.062 nan 8.370 nan 0.000 0.613 528 S N -1.840 113.866 115.700 0.010 0.000 2.556 528 S HA 0.427 4.886 4.470 -0.017 0.000 0.216 528 S C 0.817 175.419 174.600 0.003 0.000 0.970 528 S CA -0.313 57.884 58.200 -0.005 0.000 0.912 528 S CB -0.639 62.548 63.200 -0.022 0.000 0.790 528 S HN 0.740 nan 8.310 nan 0.000 0.504 529 A N 1.661 124.490 122.820 0.015 0.000 2.407 529 A HA 0.715 5.024 4.320 -0.017 0.000 0.248 529 A C 0.761 178.359 177.584 0.023 0.000 1.082 529 A CA -0.088 51.958 52.037 0.015 0.000 0.785 529 A CB -0.287 18.722 19.000 0.016 0.000 1.020 529 A HN 0.916 nan 8.150 nan 0.000 0.489 530 A N 1.523 124.353 122.820 0.015 0.000 2.498 530 A HA 0.466 4.776 4.320 -0.017 0.000 0.239 530 A C 0.070 177.674 177.584 0.032 0.000 1.068 530 A CA 0.030 52.079 52.037 0.020 0.000 0.766 530 A CB -0.140 18.865 19.000 0.008 0.000 1.003 530 A HN 1.097 nan 8.150 nan 0.000 0.497 531 V N 2.517 122.460 119.914 0.049 0.000 2.459 531 V HA 0.518 4.628 4.120 -0.017 0.000 0.295 531 V C 0.997 177.129 176.094 0.063 0.000 1.029 531 V CA 0.474 62.815 62.300 0.069 0.000 0.874 531 V CB 1.589 33.482 31.823 0.117 0.000 0.985 531 V HN 1.163 nan 8.190 nan 0.000 0.438 532 T N -1.835 112.742 114.554 0.037 0.000 3.144 532 T HA 0.017 4.357 4.350 -0.017 0.000 0.290 532 T C 1.224 175.913 174.700 -0.019 0.000 0.966 532 T CA 0.440 62.552 62.100 0.019 0.000 0.907 532 T CB 0.176 69.045 68.868 0.002 0.000 1.152 532 T HN 0.625 nan 8.240 nan 0.000 0.532 533 S N 0.554 116.205 115.700 -0.082 0.000 2.603 533 S HA 0.148 4.608 4.470 -0.017 0.000 0.220 533 S C 0.615 174.957 174.600 -0.430 0.000 0.967 533 S CA -0.327 57.712 58.200 -0.269 0.000 0.920 533 S CB -0.508 62.467 63.200 -0.375 0.000 0.773 533 S HN 0.688 nan 8.310 nan 0.000 0.529 534 H N 1.370 120.439 119.070 -0.003 0.000 3.160 534 H HA 0.350 4.895 4.556 -0.017 0.000 0.297 534 H C -0.402 174.922 175.328 -0.006 0.000 1.605 534 H CA -0.561 55.484 56.048 -0.005 0.000 1.418 534 H CB 0.096 29.854 29.762 -0.006 0.000 1.846 534 H HN 0.362 nan 8.280 nan 0.000 0.754 535 D N -0.192 120.297 120.400 0.148 0.000 2.363 535 D HA -0.075 4.554 4.640 -0.017 0.000 0.240 535 D C 1.078 177.413 176.300 0.059 0.000 1.236 535 D CA 0.296 54.337 54.000 0.070 0.000 0.927 535 D CB 0.920 41.748 40.800 0.046 0.000 1.150 535 D HN 0.538 nan 8.370 nan 0.000 0.458 536 S N -0.000 115.719 115.700 0.031 0.000 2.399 536 S HA -0.230 4.230 4.470 -0.017 0.000 0.231 536 S C 2.002 176.612 174.600 0.016 0.000 1.022 536 S CA 1.355 59.568 58.200 0.022 0.000 0.983 536 S CB -0.382 62.824 63.200 0.011 0.000 0.803 536 S HN 0.569 nan 8.310 nan 0.000 0.480 537 S N 1.385 117.091 115.700 0.009 0.000 2.345 537 S HA -0.095 4.364 4.470 -0.017 0.000 0.219 537 S C 1.990 176.583 174.600 -0.012 0.000 1.031 537 S CA 1.761 59.959 58.200 -0.003 0.000 0.984 537 S CB -1.268 61.927 63.200 -0.009 0.000 0.874 537 S HN 0.691 nan 8.310 nan 0.000 0.451 538 T N 2.976 117.517 114.554 -0.021 0.000 2.684 538 T HA -0.077 4.263 4.350 -0.017 0.000 0.267 538 T C 1.759 176.434 174.700 -0.041 0.000 1.036 538 T CA 1.566 63.620 62.100 -0.076 0.000 1.148 538 T CB -0.640 68.134 68.868 -0.157 0.000 0.863 538 T HN 0.410 nan 8.240 nan 0.000 0.436 539 N N 1.123 119.844 118.700 0.035 0.000 2.069 539 N HA -0.058 4.672 4.740 -0.017 0.000 0.191 539 N C 2.226 177.753 175.510 0.029 0.000 1.031 539 N CA 1.462 54.550 53.050 0.063 0.000 0.852 539 N CB -1.008 37.522 38.487 0.071 0.000 1.018 539 N HN 0.501 nan 8.380 nan 0.000 0.423 540 G N 1.269 110.077 108.800 0.013 0.000 2.440 540 G HA2 -0.171 3.778 3.960 -0.017 0.000 0.218 540 G HA3 -0.171 3.778 3.960 -0.017 0.000 0.218 540 G C 1.721 176.620 174.900 -0.001 0.000 1.154 540 G CA 0.475 45.575 45.100 -0.000 0.000 0.767 540 G HN 0.231 nan 8.290 nan 0.000 0.552 541 L N -0.030 121.195 121.223 0.003 0.000 2.056 541 L HA 0.030 4.360 4.340 -0.017 0.000 0.207 541 L C 2.851 179.753 176.870 0.054 0.000 1.078 541 L CA 0.661 55.512 54.840 0.018 0.000 0.749 541 L CB -0.308 41.747 42.059 -0.006 0.000 0.901 541 L HN 0.183 nan 8.230 nan 0.000 0.433 542 I N -0.088 120.502 120.570 0.034 0.000 2.226 542 I HA -0.280 3.879 4.170 -0.017 0.000 0.245 542 I C 2.157 178.370 176.117 0.161 0.000 1.100 542 I CA 1.068 62.425 61.300 0.095 0.000 1.374 542 I CB -0.384 37.644 38.000 0.047 0.000 1.057 542 I HN 0.353 nan 8.210 nan 0.000 0.413 543 N N 1.077 119.820 118.700 0.071 0.000 2.188 543 N HA -0.092 4.637 4.740 -0.017 0.000 0.184 543 N C 1.895 177.381 175.510 -0.039 0.000 1.018 543 N CA 1.488 54.554 53.050 0.026 0.000 0.858 543 N CB -0.295 38.193 38.487 0.001 0.000 0.989 543 N HN 0.338 nan 8.380 nan 0.000 0.426 544 A N 0.695 123.474 122.820 -0.069 0.000 1.930 544 A HA -0.110 4.200 4.320 -0.017 0.000 0.217 544 A C 2.057 179.501 177.584 -0.234 0.000 1.175 544 A CA 0.787 52.667 52.037 -0.260 0.000 0.627 544 A CB -0.865 17.989 19.000 -0.243 0.000 0.815 544 A HN 0.311 nan 8.150 nan 0.000 0.443 545 F N 0.982 120.890 119.950 -0.069 0.000 2.102 545 F HA -0.163 4.354 4.527 -0.017 0.000 0.298 545 F C 2.060 177.891 175.800 0.053 0.000 1.105 545 F CA 2.197 60.244 58.000 0.077 0.000 1.239 545 F CB -0.232 38.807 39.000 0.065 0.000 0.991 545 F HN 0.109 nan 8.300 nan 0.000 0.474 546 K N 0.350 120.650 120.400 -0.167 0.000 2.097 546 K HA -0.117 4.193 4.320 -0.017 0.000 0.206 546 K C 2.326 178.797 176.600 -0.215 0.000 1.049 546 K CA 1.216 57.342 56.287 -0.270 0.000 0.933 546 K CB -0.567 31.899 32.500 -0.057 0.000 0.717 546 K HN 0.398 nan 8.250 nan 0.000 0.442 547 A N 0.858 123.569 122.820 -0.182 0.000 1.930 547 A HA -0.113 4.196 4.320 -0.017 0.000 0.217 547 A C 1.842 179.368 177.584 -0.097 0.000 1.175 547 A CA 1.112 53.049 52.037 -0.166 0.000 0.627 547 A CB -0.533 18.330 19.000 -0.228 0.000 0.815 547 A HN 0.141 nan 8.150 nan 0.000 0.443 548 F N -0.136 119.747 119.950 -0.112 0.000 2.186 548 F HA -0.038 4.479 4.527 -0.017 0.000 0.299 548 F C 2.370 178.082 175.800 -0.148 0.000 1.090 548 F CA 1.248 59.187 58.000 -0.101 0.000 1.307 548 F CB -0.524 38.437 39.000 -0.065 0.000 1.019 548 F HN 0.229 nan 8.300 nan 0.000 0.489 549 R N -0.149 120.305 120.500 -0.076 0.000 2.115 549 R HA 0.217 4.547 4.340 -0.017 0.000 0.226 549 R C 0.357 176.600 176.300 -0.095 0.000 1.100 549 R CA 1.051 57.051 56.100 -0.166 0.000 0.980 549 R CB 0.021 30.067 30.300 -0.424 0.000 0.875 549 R HN 0.219 nan 8.270 nan 0.000 0.445 550 A N 0.000 122.769 122.820 -0.084 0.000 2.254 550 A HA 0.000 4.310 4.320 -0.017 0.000 0.244 550 A CA 0.000 52.005 52.037 -0.053 0.000 0.836 550 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486